#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lig s TYR 21 N 0.00 3.58 -0.06 0.66 5.04 -1.26 -5.05 117.35 120.27 3lig s TYR 21 Ca 0.00 1.31 0.03 0.00 -2.44 0.00 0.00 57.07 55.97 3lig s TYR 21 Cb 0.00 -2.85 0.00 0.00 0.35 0.00 0.00 41.96 39.46 3lig s TYR 21 CO 0.00 0.06 -0.16 -3.38 -1.34 0.00 0.00 175.55 170.73 3lig s HIS 22 N 0.87 1.74 -0.10 4.97 -3.43 -1.26 -5.03 115.29 113.06 3lig s HIS 22 Ca 0.39 -0.60 -0.39 0.00 -0.80 0.00 0.00 55.06 53.67 3lig s HIS 22 Cb -0.18 -1.21 -0.16 0.00 -1.43 0.00 0.00 32.58 29.60 3lig s HIS 22 CO 0.19 -0.25 1.52 -0.11 -2.00 0.00 0.00 174.74 174.09 3lig n LEU 23 N 3.47 1.91 -3.50 5.38 7.94 -1.26 -4.96 117.00 125.97 3lig n LEU 23 Ca -0.20 1.10 -0.24 0.00 -1.11 0.00 0.00 56.01 55.56 3lig n LEU 23 Cb 0.52 -1.15 -0.13 0.00 0.53 0.00 0.00 43.42 43.19 3lig n LEU 23 CO 0.26 -0.80 -0.27 -0.62 -1.11 0.00 0.00 177.39 174.85 3lig s ASP 24 N 1.92 2.58 -0.08 1.96 -1.08 -1.26 -5.02 116.67 115.69 3lig s ASP 24 Ca 0.92 -0.92 0.03 0.00 -0.52 0.00 0.00 52.55 52.05 3lig s ASP 24 Cb -1.03 0.01 0.20 0.00 -1.46 0.00 0.00 42.92 40.63 3lig s ASP 24 CO 0.57 -0.40 0.98 0.35 0.52 0.00 0.00 175.17 177.18 3lig n THR 25 N 5.28 1.03 0.24 1.71 -2.24 -1.26 -2.26 114.28 116.78 3lig n THR 25 Ca -0.05 -0.41 0.03 0.00 -2.27 0.00 0.00 64.05 61.36 3lig n THR 25 Cb 0.45 -0.60 -0.04 0.00 -2.10 0.00 0.00 70.33 68.04 3lig n THR 25 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3lig n THR 26 N 0.13 0.00 -3.99 4.28 -2.24 -1.26 -1.25 114.28 109.95 3lig n THR 26 Ca 0.10 -0.31 -0.22 0.00 -2.27 0.00 0.00 64.05 61.36 3lig n THR 26 Cb 0.61 0.86 -0.04 0.00 -2.10 0.00 0.00 70.33 69.65 3lig n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3lig s ALA 27 N -1.79 3.66 0.46 6.98 0.00 -0.96 -4.99 121.76 125.13 3lig s ALA 27 Ca 0.01 -1.58 -0.25 0.00 0.00 0.00 0.00 51.96 50.15 3lig s ALA 27 Cb 0.05 -1.16 -0.08 0.00 0.00 0.00 0.00 23.12 21.93 3lig s ALA 27 CO 0.27 0.12 1.40 -2.14 0.00 0.00 0.00 175.76 175.42 3lig s PRO 28 N -3.90 3.63 0.41 0.00 0.02 -1.26 -4.93 135.00 128.97 3lig s PRO 28 Ca 0.37 2.37 -0.25 0.00 0.02 0.00 0.00 61.00 63.50 3lig s PRO 28 Cb -0.06 -2.61 -0.08 0.00 0.02 0.00 0.00 34.50 31.77 3lig s PRO 28 CO 0.25 -0.84 1.24 -1.25 -0.33 0.00 0.00 177.00 176.07 3lig s PRO 29 N -2.50 3.98 0.76 5.54 0.04 -1.26 -4.98 135.00 136.58 3lig s PRO 29 Ca 0.62 2.01 -0.14 0.00 0.04 0.00 0.00 61.00 63.54 3lig s PRO 29 Cb -0.43 -2.70 0.06 0.00 0.04 0.00 0.00 34.50 31.47 3lig s PRO 29 CO 0.54 -0.44 1.17 -1.25 0.04 0.00 0.00 177.00 177.07 3lig s PRO 30 N -2.29 2.00 0.23 0.56 0.04 -1.26 -4.90 135.00 129.38 3lig s PRO 30 Ca 0.57 1.62 -0.06 0.00 0.04 0.00 0.00 61.00 63.17 3lig s PRO 30 Cb -0.35 -1.83 0.22 0.00 0.04 0.00 0.00 34.50 32.58 3lig s PRO 30 CO 0.44 -1.91 1.85 1.79 0.04 0.00 0.00 177.00 179.20 3lig h THR 31 N -0.65 1.26 -3.63 1.26 1.35 -1.95 -3.38 112.91 107.17 3lig h THR 31 Ca -0.46 -0.68 -0.68 0.00 -0.55 0.00 0.00 66.41 64.05 3lig h THR 31 Cb 1.28 0.11 -0.37 0.00 -1.73 0.00 0.00 68.15 67.44 3lig h THR 31 CO 0.49 0.30 -0.66 0.21 -0.25 0.00 0.00 175.52 175.61 3lig s ASN 32 N -6.28 4.94 0.49 5.36 3.84 -1.26 -4.45 114.94 117.58 3lig s ASN 32 Ca -0.12 -2.00 0.24 0.00 0.21 0.00 0.00 52.86 51.19 3lig s ASN 32 Cb 0.17 -1.71 1.26 0.00 -0.55 0.00 0.00 41.25 40.43 3lig s ASN 32 CO 0.83 -0.42 2.01 -0.07 -2.79 0.00 0.00 177.10 176.66 3lig h LEU 33 N 7.81 0.00 0.00 3.21 3.38 -1.90 -2.87 115.31 124.95 3lig h LEU 33 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3lig h LEU 33 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3lig h LEU 33 CO 0.58 0.17 0.00 -1.20 0.09 0.00 0.00 178.44 178.08 3lig n SER 34 N -3.75 0.00 -0.44 -0.43 7.64 -1.26 -2.60 113.62 112.78 3lig n SER 34 Ca -0.02 -0.86 0.11 0.00 1.01 0.00 0.00 58.87 59.11 3lig n SER 34 Cb 0.28 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.46 3lig n SER 34 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3lig n THR 35 N -0.97 0.00 -1.60 0.44 -2.24 -1.08 -4.99 114.28 103.84 3lig n THR 35 Ca 0.18 -0.24 -0.31 0.00 -2.27 0.00 0.00 64.05 61.41 3lig n THR 35 Cb 0.08 1.23 0.05 0.00 -2.10 0.00 0.00 70.33 69.59 3lig n THR 35 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3lig s LEU 36 N -2.48 3.17 0.73 3.22 1.02 -1.07 -5.03 118.68 118.24 3lig s LEU 36 Ca 0.17 1.66 -0.14 0.00 0.02 0.00 0.00 54.13 55.83 3lig s LEU 36 Cb 0.17 -4.50 0.04 0.00 0.02 0.00 0.00 46.19 41.92 3lig s LEU 36 CO 0.58 -1.46 1.17 -2.84 0.02 0.00 0.00 176.35 173.82 3lig s PRO 37 N -4.92 2.22 0.33 1.29 0.02 -1.26 -4.77 135.00 127.90 3lig s PRO 37 Ca 0.59 1.62 -0.28 0.00 0.02 0.00 0.00 61.00 62.94 3lig s PRO 37 Cb -0.14 -1.86 -0.13 0.00 0.02 0.00 0.00 34.50 32.39 3lig s PRO 37 CO 0.53 -1.74 1.29 0.09 -0.33 0.00 0.00 177.00 176.84 3lig n ASN 38 N -2.81 2.69 0.00 2.53 3.02 -1.26 -2.21 115.26 117.21 3lig n ASN 38 Ca 0.12 1.20 0.00 0.00 -0.03 0.00 0.00 54.58 55.87 3lig n ASN 38 Cb 0.51 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.21 3lig n ASN 38 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3lig n ASN 39 N 0.97 -3.26 -0.15 6.41 5.03 -0.70 -4.87 115.26 118.69 3lig n ASN 39 Ca 0.06 0.00 0.10 0.00 0.87 0.00 0.00 54.58 55.60 3lig n ASN 39 Cb 0.35 -2.16 0.42 0.00 -1.02 0.00 0.00 39.78 37.37 3lig n ASN 39 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.26 176.17 3lig h THR 40 N 0.00 0.94 -0.61 3.41 2.02 -0.59 -1.98 112.91 116.10 3lig h THR 40 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3lig h THR 40 Cb 0.43 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3lig h THR 40 CO 0.00 0.11 0.00 0.18 0.37 0.00 0.00 175.52 176.18 3lig n LEU 41 N -4.49 5.47 -0.32 2.58 4.77 0.14 -4.70 117.00 120.45 3lig n LEU 41 Ca 0.11 -2.78 0.12 0.00 -0.03 0.00 0.00 56.01 53.43 3lig n LEU 41 Cb 0.33 -0.66 0.30 0.00 -2.33 0.00 0.00 43.42 41.06 3lig n LEU 41 CO 0.33 0.69 1.12 0.15 -1.33 0.00 0.00 177.39 178.35 3lig h PHE 42 N 4.08 0.85 0.00 -1.77 3.57 -1.33 -2.99 116.94 119.34 3lig h PHE 42 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3lig h PHE 42 Cb 1.82 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.33 3lig h PHE 42 CO 1.00 0.11 -1.39 0.72 -2.23 0.00 0.00 178.31 176.53 3lig n HIS 43 N -4.90 0.00 -0.25 0.41 8.25 -1.26 -4.37 115.22 113.10 3lig n HIS 43 Ca 0.21 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.72 3lig n HIS 43 Cb 0.58 -0.20 0.15 0.00 1.12 0.00 0.00 29.99 31.63 3lig n HIS 43 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3lig h LEU 44 N 0.00 -0.38 -2.60 2.41 5.85 -1.86 -3.08 115.31 115.65 3lig h LEU 44 Ca 0.00 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3lig h LEU 44 Cb 0.69 0.35 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3lig h LEU 44 CO 0.00 -0.18 0.00 0.79 -0.34 0.00 0.00 178.44 178.71 3lig n TRP 45 N -5.36 0.00 -2.34 1.25 8.01 -1.26 -4.81 117.44 112.93 3lig n TRP 45 Ca 0.13 -0.40 -0.42 0.00 -1.31 0.00 0.00 57.50 55.49 3lig n TRP 45 Cb 0.46 -0.04 -0.03 0.00 -2.01 0.00 0.00 31.31 29.69 3lig n TRP 45 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.69 177.18 3lig s ARG 46 N -0.81 4.38 0.81 -0.99 3.52 -1.17 -3.04 118.95 121.65 3lig s ARG 46 Ca 0.00 1.87 -0.12 0.00 -0.13 0.00 0.00 55.73 57.35 3lig s ARG 46 Cb 0.00 -3.35 0.08 0.00 -1.56 0.00 0.00 34.95 30.11 3lig s ARG 46 CO 0.00 -0.35 1.11 -1.25 -0.81 0.00 0.00 175.30 174.01 3lig s PRO 47 N 1.26 2.00 -0.00 5.12 0.04 -1.26 -4.76 135.00 137.40 3lig s PRO 47 Ca 0.61 0.48 0.01 0.00 0.04 0.00 0.00 61.00 62.14 3lig s PRO 47 Cb -0.31 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 3lig s PRO 47 CO 0.29 -1.64 0.02 2.89 0.04 0.00 0.00 177.00 178.60 3lig n ARG 48 N -3.42 0.84 -0.27 4.56 1.85 -1.26 -4.73 116.66 114.23 3lig n ARG 48 Ca 0.07 -0.01 0.09 0.00 -1.00 0.00 0.00 57.85 57.00 3lig n ARG 48 Cb 0.57 -0.97 0.20 0.00 -1.05 0.00 0.00 32.46 31.22 3lig n ARG 48 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3lig n ALA 49 N -1.47 2.64 -2.54 2.89 0.00 -1.23 -0.41 120.51 120.39 3lig n ALA 49 Ca -0.00 -2.45 -0.24 0.00 0.00 0.00 0.00 53.44 50.74 3lig n ALA 49 Cb 0.02 -0.55 -0.08 0.00 0.00 0.00 0.00 19.45 18.84 3lig n ALA 49 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3lig s HIS 50 N -2.84 2.55 -0.29 0.00 3.76 -1.26 -4.79 115.29 112.42 3lig s HIS 50 Ca 0.37 -0.42 -0.21 0.00 -0.15 0.00 0.00 55.06 54.66 3lig s HIS 50 Cb 0.31 -1.46 -0.01 0.00 1.11 0.00 0.00 32.58 32.53 3lig s HIS 50 CO 0.06 0.49 0.65 0.42 -0.85 0.00 0.00 174.74 175.51 3lig s ILE 51 N -2.50 4.93 0.11 0.60 1.01 -1.26 -4.90 121.20 119.20 3lig s ILE 51 Ca 0.34 0.99 -0.25 0.00 0.00 0.00 0.00 60.65 61.74 3lig s ILE 51 Cb -0.01 -4.00 0.07 0.00 0.01 0.00 0.00 42.46 38.54 3lig s ILE 51 CO 0.19 -0.10 0.64 -1.48 0.00 0.00 0.00 174.94 174.19 3lig s LEU 52 N 2.62 -0.57 0.83 2.97 0.05 -1.26 -1.22 118.68 122.10 3lig s LEU 52 Ca 0.26 0.11 -0.11 0.00 0.05 0.00 0.00 54.13 54.45 3lig s LEU 52 Cb -0.15 2.54 0.09 0.00 -2.05 0.00 0.00 46.19 46.62 3lig s LEU 52 CO 0.11 -0.88 1.09 -2.16 -0.55 0.00 0.00 176.35 173.96 3lig s PRO 53 N -3.29 1.79 0.50 1.48 0.04 -1.26 -4.91 135.00 129.34 3lig s PRO 53 Ca -0.01 1.00 0.23 0.00 0.04 0.00 0.00 61.00 62.27 3lig s PRO 53 Cb -0.01 -1.86 1.30 0.00 0.04 0.00 0.00 34.50 33.97 3lig s PRO 53 CO -0.09 -1.92 1.94 0.00 0.04 0.00 0.00 177.00 176.97 3lig h ALA 54 N -1.33 2.44 -2.65 8.56 0.00 -2.00 -3.44 119.26 120.84 3lig h ALA 54 Ca -0.46 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.54 3lig h ALA 54 Cb 1.26 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 3lig h ALA 54 CO 0.53 -0.64 0.46 -1.83 0.00 0.00 0.00 179.25 177.77 3lig s GLU 55 N -5.14 1.57 0.54 0.00 1.03 -1.26 -5.07 118.70 110.37 3lig s GLU 55 Ca -0.06 -0.98 0.00 0.00 0.03 0.00 0.00 54.97 53.96 3lig s GLU 55 Cb 0.21 0.46 0.00 0.00 -0.80 0.00 0.00 34.13 34.00 3lig s GLU 55 CO 0.75 -0.73 0.00 0.41 -1.33 0.00 0.00 175.26 174.36 3lig n GLY 56 N -0.59 -2.19 3.90 -3.83 0.00 -0.80 -4.94 105.19 96.73 3lig n GLY 56 Ca -0.05 -1.49 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 3lig n GLY 56 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3lig s GLN 57 N -0.45 3.31 -0.06 1.61 1.03 -1.26 -1.59 119.66 122.24 3lig s GLN 57 Ca 0.00 -0.58 0.05 0.00 0.04 0.00 0.00 55.36 54.87 3lig s GLN 57 Cb 0.00 -2.93 -0.01 0.00 0.03 0.00 0.00 33.01 30.10 3lig s GLN 57 CO 0.00 0.56 -0.22 -1.50 -2.54 0.00 0.00 175.29 171.58 3lig s ILE 58 N -1.61 2.30 0.00 3.63 2.07 -0.36 -1.12 121.20 126.11 3lig s ILE 58 Ca 0.34 -0.98 0.00 0.00 -1.41 0.00 0.00 60.65 58.60 3lig s ILE 58 Cb -0.12 -1.86 0.00 0.00 0.13 0.00 0.00 42.46 40.62 3lig s ILE 58 CO 0.27 0.57 0.00 0.61 -1.91 0.00 0.00 174.94 174.48 3lig n GLY 59 N 2.87 3.68 3.64 1.50 0.00 0.70 -4.71 105.19 112.88 3lig n GLY 59 Ca -0.17 -1.90 -0.44 0.00 0.00 0.00 0.00 46.02 43.50 3lig n GLY 59 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3lig n ASP 60 N 0.00 2.12 -4.86 1.61 8.00 -1.26 -4.26 116.55 117.90 3lig n ASP 60 Ca 0.00 1.18 -0.31 0.00 0.71 0.00 0.00 54.79 56.37 3lig n ASP 60 Cb 0.00 -1.38 -0.01 0.00 -0.02 0.00 0.00 41.12 39.71 3lig n ASP 60 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3lig s PRO 61 N -1.34 3.76 -0.08 -0.24 0.04 -1.26 -0.18 135.00 135.71 3lig s PRO 61 Ca 0.61 0.82 -0.31 0.00 0.04 0.00 0.00 61.00 62.16 3lig s PRO 61 Cb -0.66 -2.12 0.10 0.00 0.04 0.00 0.00 34.50 31.86 3lig s PRO 61 CO 0.58 -0.41 1.36 0.00 0.04 0.00 0.00 177.00 178.58 3lig n ALA 63 N -0.91 -0.55 -1.73 0.00 0.00 -0.16 -2.09 120.51 115.07 3lig n ALA 63 Ca 0.04 0.20 -0.33 0.00 0.00 0.00 0.00 53.44 53.35 3lig n ALA 63 Cb 0.59 -2.12 -0.01 0.00 0.00 0.00 0.00 19.45 17.91 3lig n ALA 63 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3lig s HIS 64 N -2.95 3.03 -0.26 0.00 3.76 -1.26 -4.41 115.29 113.20 3lig s HIS 64 Ca 0.00 1.53 -0.28 0.00 -0.15 0.00 0.00 55.06 56.15 3lig s HIS 64 Cb 0.00 -3.01 0.18 0.00 1.11 0.00 0.00 32.58 30.86 3lig s HIS 64 CO 0.00 -0.95 1.28 1.52 -0.85 0.00 0.00 174.74 175.74 3lig s TYR 65 N -2.31 -0.13 -0.23 1.40 -0.85 -0.78 -4.28 117.35 110.17 3lig s TYR 65 Ca 0.64 0.24 -0.18 0.00 -0.52 0.00 0.00 57.07 57.26 3lig s TYR 65 Cb -0.16 0.48 -0.03 0.00 0.38 0.00 0.00 41.96 42.63 3lig s TYR 65 CO 0.31 -0.11 0.49 0.99 -1.52 0.00 0.00 175.55 175.71 3lig s THR 66 N -0.81 5.11 -0.28 -3.49 2.01 -1.26 0.09 115.64 117.01 3lig s THR 66 Ca 0.06 0.86 -0.29 0.00 0.31 0.00 0.00 61.69 62.64 3lig s THR 66 Cb -0.02 -3.81 -0.00 0.00 0.01 0.00 0.00 72.50 68.68 3lig s THR 66 CO -0.07 0.15 1.34 -0.62 -0.69 0.00 0.00 174.62 174.72 3lig s ASP 67 N 1.33 6.66 0.18 3.53 3.68 -0.02 -4.85 116.67 127.18 3lig s ASP 67 Ca 0.22 1.30 -0.18 0.00 2.13 0.00 0.00 52.55 56.02 3lig s ASP 67 Cb -0.15 -2.54 0.13 0.00 -1.45 0.00 0.00 42.92 38.91 3lig s ASP 67 CO 0.09 -1.07 1.63 -0.65 0.13 0.00 0.00 175.17 175.30 3lig h PRO 68 N 9.36 -0.08 -0.22 4.34 0.11 -1.89 1.18 132.00 144.81 3lig h PRO 68 Ca -0.27 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 3lig h PRO 68 Cb 1.10 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3lig h PRO 68 CO 1.02 -0.06 0.13 1.03 -0.21 0.00 0.00 178.00 179.92 3lig h SER 69 N -0.09 0.26 0.28 -2.05 0.87 -1.98 -3.30 113.55 107.54 3lig h SER 69 Ca 0.22 -0.04 -0.22 0.00 -1.23 0.00 0.00 61.79 60.53 3lig h SER 69 Cb 0.43 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.29 3lig h SER 69 CO -0.52 0.21 -1.92 0.35 -0.53 0.00 0.00 176.83 174.42 3lig n THR 70 N -4.92 1.05 -0.98 2.23 -2.24 -1.14 -4.97 114.28 103.32 3lig n THR 70 Ca -0.03 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3lig n THR 70 Cb 0.04 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 3lig n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lig n GLY 71 N 1.51 0.88 3.77 3.38 0.00 0.41 -4.63 105.19 110.51 3lig n GLY 71 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 3lig n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3lig s LEU 72 N 0.00 4.25 -0.19 0.99 1.43 -1.25 0.03 118.68 123.95 3lig s LEU 72 Ca 0.00 2.14 -0.15 0.00 -1.03 0.00 0.00 54.13 55.09 3lig s LEU 72 Cb 0.00 -4.02 -0.04 0.00 0.03 0.00 0.00 46.19 42.16 3lig s LEU 72 CO 0.00 -0.43 0.33 0.12 0.23 0.00 0.00 176.35 176.61 3lig s PHE 73 N -1.49 3.39 -0.13 0.29 5.36 -0.78 -0.84 117.98 123.78 3lig s PHE 73 Ca 0.54 0.56 -0.07 0.00 -0.96 0.00 0.00 56.93 57.00 3lig s PHE 73 Cb -0.26 -2.44 -0.04 0.00 -0.34 0.00 0.00 43.02 39.95 3lig s PHE 73 CO 0.33 0.07 0.11 -1.01 -1.46 0.00 0.00 175.22 173.26 3lig s HIS 74 N 1.02 3.47 0.02 10.12 3.76 0.11 -1.28 115.29 132.51 3lig s HIS 74 Ca 0.17 0.40 0.05 0.00 -0.15 0.00 0.00 55.06 55.54 3lig s HIS 74 Cb -0.14 -1.97 -0.03 0.00 1.11 0.00 0.00 32.58 31.55 3lig s HIS 74 CO 0.06 0.57 -0.14 0.08 -0.85 0.00 0.00 174.74 174.47 3lig s VAL 75 N -0.65 3.10 0.17 -0.90 1.01 0.97 -1.86 120.40 122.24 3lig s VAL 75 Ca 0.12 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.13 3lig s VAL 75 Cb -0.12 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 3lig s VAL 75 CO 0.02 0.38 -0.04 -0.83 0.00 0.00 0.00 175.10 174.63 3lig s GLY 76 N -1.37 1.18 -0.20 4.51 0.00 -0.89 -1.36 107.32 109.20 3lig s GLY 76 Ca 0.15 -1.57 -0.29 0.00 0.00 0.00 0.00 44.72 43.02 3lig s GLY 76 CO 0.06 -1.57 1.09 -0.11 0.00 0.00 0.00 173.10 172.57 3lig s PHE 77 N -3.50 -0.30 0.40 1.90 -0.12 -0.63 -1.17 117.98 114.55 3lig s PHE 77 Ca 0.21 0.56 -0.25 0.00 -0.05 0.00 0.00 56.93 57.39 3lig s PHE 77 Cb 0.05 0.45 -0.08 0.00 -0.63 0.00 0.00 43.02 42.80 3lig s PHE 77 CO 0.03 -0.25 1.20 -0.51 -0.05 0.00 0.00 175.22 175.63 3lig s LEU 78 N -0.89 4.19 -0.04 -1.99 1.43 0.75 -0.30 118.68 121.84 3lig s LEU 78 Ca 0.01 2.41 -0.01 0.00 -1.03 0.00 0.00 54.13 55.51 3lig s LEU 78 Cb -0.01 -4.00 0.03 0.00 0.03 0.00 0.00 46.19 42.24 3lig s LEU 78 CO -0.02 -0.72 0.04 -2.28 0.23 0.00 0.00 176.35 173.61 3lig s HIS 79 N -1.38 0.16 -1.61 0.29 2.46 -0.49 -0.22 115.29 114.49 3lig s HIS 79 Ca 0.57 0.15 0.00 0.00 0.47 0.00 0.00 55.06 56.25 3lig s HIS 79 Cb -0.32 -0.47 0.00 0.00 -0.13 0.00 0.00 32.58 31.66 3lig s HIS 79 CO 0.41 -0.18 0.00 -0.25 -2.47 0.00 0.00 174.74 172.24 3lig n ASP 80 N 4.95 -4.94 -2.16 9.88 8.00 -0.27 -1.88 116.55 130.13 3lig n ASP 80 Ca -0.11 0.19 -0.16 0.00 0.71 0.00 0.00 54.79 55.43 3lig n ASP 80 Cb 0.50 -4.23 -0.02 0.00 -0.02 0.00 0.00 41.12 37.34 3lig n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3lig n GLY 81 N -0.72 0.05 1.72 0.44 0.00 -1.26 -4.84 105.19 100.58 3lig n GLY 81 Ca -0.20 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 3lig n GLY 81 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3lig n ASP 82 N -1.59 2.16 0.00 1.61 2.03 -0.79 -4.89 116.55 115.08 3lig n ASP 82 Ca -0.18 -2.85 0.00 0.00 0.52 0.00 0.00 54.79 52.28 3lig n ASP 82 Cb 0.61 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 3lig n ASP 82 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3lig n GLY 83 N -0.43 0.44 3.68 0.27 0.00 -1.26 -4.39 105.19 103.50 3lig n GLY 83 Ca 0.18 -2.32 -0.35 0.00 0.00 0.00 0.00 46.02 43.53 3lig n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lig s ILE 84 N -0.40 5.08 0.37 -0.61 1.01 -0.65 -1.40 121.20 124.60 3lig s ILE 84 Ca 0.00 0.07 0.08 0.00 0.00 0.00 0.00 60.65 60.80 3lig s ILE 84 Cb 0.00 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 3lig s ILE 84 CO 0.00 0.45 0.23 0.00 0.00 0.00 0.00 174.94 175.62 3lig s ALA 85 N 0.37 3.70 0.30 9.38 0.00 0.59 0.36 121.76 136.46 3lig s ALA 85 Ca 0.05 -1.85 -0.03 0.00 0.00 0.00 0.00 51.96 50.13 3lig s ALA 85 Cb -0.12 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 3lig s ALA 85 CO -0.01 -0.06 0.39 0.20 0.00 0.00 0.00 175.76 176.28 3lig s GLY 86 N -3.94 1.43 0.24 0.00 0.00 -0.59 -1.60 107.32 102.86 3lig s GLY 86 Ca 0.41 -1.52 -0.21 0.00 0.00 0.00 0.00 44.72 43.40 3lig s GLY 86 CO 0.24 -1.07 0.67 0.00 0.00 0.00 0.00 173.10 172.94 3lig s ALA 87 N -3.48 -1.27 0.17 3.20 0.00 -0.46 -2.59 121.76 117.34 3lig s ALA 87 Ca 0.32 -0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.20 3lig s ALA 87 Cb 0.01 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.95 3lig s ALA 87 CO 0.18 -0.95 -0.06 0.95 0.00 0.00 0.00 175.76 175.88 3lig s THR 88 N -3.88 1.05 -0.09 0.00 -4.23 -0.19 -0.02 115.64 108.28 3lig s THR 88 Ca 0.09 -2.04 -0.12 0.00 -1.18 0.00 0.00 61.69 58.44 3lig s THR 88 Cb -0.04 -2.00 0.03 0.00 1.34 0.00 0.00 72.50 71.83 3lig s THR 88 CO 0.01 -0.61 0.31 0.28 -0.54 0.00 0.00 174.62 174.07 3lig s THR 89 N -3.41 0.02 -1.39 3.99 -1.32 -0.41 -0.97 115.64 112.15 3lig s THR 89 Ca 0.20 -0.15 0.16 0.00 -1.21 0.00 0.00 61.69 60.69 3lig s THR 89 Cb 0.04 -0.49 -0.02 0.00 -1.51 0.00 0.00 72.50 70.51 3lig s THR 89 CO 0.03 -0.08 0.83 0.00 -2.21 0.00 0.00 174.62 173.18 3lig n ALA 90 N 2.41 3.28 0.00 11.08 0.00 -1.26 -1.86 120.51 134.16 3lig n ALA 90 Ca -0.16 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.76 3lig n ALA 90 Cb 0.57 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3lig n ALA 90 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3lig n ASN 91 N -0.27 0.02 -1.92 0.00 0.23 -1.26 -3.12 115.26 108.94 3lig n ASN 91 Ca 0.06 -0.07 -0.16 0.00 -0.53 0.00 0.00 54.58 53.89 3lig n ASN 91 Cb 0.33 0.14 0.01 0.00 -2.08 0.00 0.00 39.78 38.17 3lig n ASN 91 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 3lig n LEU 92 N -0.14 -1.95 0.00 -4.53 7.94 -1.26 -4.80 117.00 112.26 3lig n LEU 92 Ca 0.00 -0.09 0.00 0.00 -1.11 0.00 0.00 56.01 54.81 3lig n LEU 92 Cb 0.00 -2.28 0.00 0.00 0.53 0.00 0.00 43.42 41.67 3lig n LEU 92 CO 0.00 -0.03 -0.26 0.00 -1.11 0.00 0.00 177.39 175.99 3lig n ALA 93 N -2.24 1.98 -2.63 1.96 0.00 -1.26 -3.16 120.51 115.16 3lig n ALA 93 Ca -0.14 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.09 3lig n ALA 93 Cb 0.62 0.25 -0.13 0.00 0.00 0.00 0.00 19.45 20.20 3lig n ALA 93 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3lig s THR 94 N -1.52 1.32 0.21 0.00 -4.23 -1.26 -4.67 115.64 105.49 3lig s THR 94 Ca 0.00 -1.29 0.07 0.00 -1.18 0.00 0.00 61.69 59.29 3lig s THR 94 Cb 0.00 -1.22 -0.05 0.00 1.34 0.00 0.00 72.50 72.57 3lig s THR 94 CO 0.00 -0.09 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.56 3lig s TYR 95 N -1.10 1.68 -0.03 3.99 2.02 0.02 -4.30 117.35 119.62 3lig s TYR 95 Ca 0.02 -0.63 0.01 0.00 -0.37 0.00 0.00 57.07 56.09 3lig s TYR 95 Cb -0.09 -0.83 0.02 0.00 -0.40 0.00 0.00 41.96 40.66 3lig s TYR 95 CO 0.02 0.29 -0.02 0.99 -1.57 0.00 0.00 175.55 175.27 3lig s THR 96 N -3.05 0.31 0.46 -0.71 2.01 -0.14 -4.45 115.64 110.07 3lig s THR 96 Ca 0.23 0.00 -0.24 0.00 0.31 0.00 0.00 61.69 61.99 3lig s THR 96 Cb 0.01 -0.37 -0.07 0.00 0.01 0.00 0.00 72.50 72.07 3lig s THR 96 CO 0.07 0.17 1.33 -1.81 -0.69 0.00 0.00 174.62 173.69 3lig s ASP 97 N 0.93 5.90 0.33 3.53 1.01 -1.26 -1.03 116.67 126.08 3lig s ASP 97 Ca -0.10 2.71 0.08 0.00 0.71 0.00 0.00 52.55 55.95 3lig s ASP 97 Cb -0.14 -2.64 0.57 0.00 1.01 0.00 0.00 42.92 41.72 3lig s ASP 97 CO -0.01 -1.13 1.77 0.71 0.21 0.00 0.00 175.17 176.71 3lig h THR 98 N 2.08 1.28 -2.59 -1.27 1.35 -1.78 -3.46 112.91 108.51 3lig h THR 98 Ca -0.50 -1.32 0.13 0.00 -0.55 0.00 0.00 66.41 64.16 3lig h THR 98 Cb 1.27 1.58 -0.05 0.00 -1.73 0.00 0.00 68.15 69.21 3lig h THR 98 CO 0.60 0.39 0.44 -0.94 -0.25 0.00 0.00 175.52 175.77 3lig s SER 99 N -6.88 -0.11 0.53 5.36 1.04 -1.26 -4.90 113.70 107.48 3lig s SER 99 Ca -0.04 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.75 3lig s SER 99 Cb 0.14 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.85 3lig s SER 99 CO 0.76 -1.12 0.00 -0.90 0.98 0.00 0.00 173.24 172.95 3lig n ASP 100 N -0.83 0.00 -3.90 7.02 5.68 -1.26 -3.10 116.55 120.16 3lig n ASP 100 Ca -0.05 -0.87 -0.26 0.00 -0.50 0.00 0.00 54.79 53.11 3lig n ASP 100 Cb 0.60 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.57 3lig n ASP 100 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3lig n ASN 101 N -2.60 -1.00 0.00 -1.12 5.15 -1.26 -1.43 115.26 113.00 3lig n ASN 101 Ca 0.00 -0.99 0.00 0.00 -0.60 0.00 0.00 54.58 52.99 3lig n ASN 101 Cb 0.00 -3.18 0.00 0.00 -0.53 0.00 0.00 39.78 36.07 3lig n ASN 101 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3lig n GLY 102 N -1.91 3.16 3.09 8.20 0.00 -1.26 -4.52 105.19 111.94 3lig n GLY 102 Ca -0.28 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 3lig n GLY 102 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3lig n SER 103 N 0.02 -5.95 -4.78 1.61 2.88 -0.51 -4.78 113.62 102.10 3lig n SER 103 Ca 0.00 -0.34 -0.35 0.00 -1.33 0.00 0.00 58.87 56.85 3lig n SER 103 Cb 0.00 -4.71 -0.02 0.00 -0.75 0.00 0.00 64.21 58.72 3lig n SER 103 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 3lig s PHE 104 N -3.19 2.96 -0.17 0.66 0.08 -1.26 -1.54 117.98 115.52 3lig s PHE 104 Ca 0.36 1.58 0.03 0.00 0.12 0.00 0.00 56.93 59.01 3lig s PHE 104 Cb -0.16 -3.18 -0.12 0.00 -0.57 0.00 0.00 43.02 38.99 3lig s PHE 104 CO 0.45 -1.06 -0.13 1.28 -0.10 0.00 0.00 175.22 175.65 3lig n LEU 105 N -0.77 2.66 -3.71 -0.37 4.77 0.16 -4.76 117.00 114.98 3lig n LEU 105 Ca 0.09 -0.08 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 3lig n LEU 105 Cb 0.51 -0.51 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 3lig n LEU 105 CO 0.43 0.75 0.16 -0.51 -1.33 0.00 0.00 177.39 176.88 3lig s ILE 106 N -2.35 -0.00 0.16 -0.08 2.07 -1.11 -1.25 121.20 118.64 3lig s ILE 106 Ca -0.22 0.01 0.04 0.00 -1.41 0.00 0.00 60.65 59.07 3lig s ILE 106 Cb 0.06 -0.68 -0.05 0.00 0.13 0.00 0.00 42.46 41.93 3lig s ILE 106 CO 0.42 0.00 -0.06 -1.10 -1.91 0.00 0.00 174.94 172.29 3lig s GLN 107 N 0.36 1.10 1.01 3.50 -0.21 -1.26 -1.63 119.66 122.54 3lig s GLN 107 Ca -0.01 -1.50 -0.13 0.00 0.02 0.00 0.00 55.36 53.74 3lig s GLN 107 Cb -0.04 -0.53 0.19 0.00 1.00 0.00 0.00 33.01 33.64 3lig s GLN 107 CO -0.01 -0.00 1.11 -1.25 -2.12 0.00 0.00 175.29 173.02 3lig s PRO 108 N -3.80 0.33 0.00 2.91 0.04 -1.26 -4.60 135.00 128.61 3lig s PRO 108 Ca 0.20 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.59 3lig s PRO 108 Cb 0.04 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.84 3lig s PRO 108 CO 0.02 -2.76 0.00 0.41 0.04 0.00 0.00 177.00 174.71 3lig n GLY 109 N -1.39 1.10 2.42 0.56 0.00 0.37 -4.99 105.19 103.26 3lig n GLY 109 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 3lig n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lig n GLY 110 N 0.00 -0.09 0.19 -0.02 0.00 -1.22 -4.82 105.19 99.22 3lig n GLY 110 Ca 0.00 -1.89 -0.08 0.00 0.00 0.00 0.00 46.02 44.05 3lig n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3lig h LYS 111 N 0.00 0.42 0.00 1.61 1.57 -1.99 -2.79 116.57 115.39 3lig h LYS 111 Ca -0.23 -0.29 -0.10 0.00 -1.87 0.00 0.00 60.65 58.15 3lig h LYS 111 Cb 0.76 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 3lig h LYS 111 CO 0.21 0.91 -0.95 -0.91 -0.57 0.00 0.00 179.45 178.14 3lig h ASN 112 N 0.31 0.00 -2.07 0.86 2.35 -1.94 -3.39 115.58 111.69 3lig h ASN 112 Ca -0.01 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.21 3lig h ASN 112 Cb 1.16 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.12 3lig h ASN 112 CO 0.11 0.40 -0.92 -0.90 -1.65 0.00 0.00 177.43 174.47 3lig n ASP 113 N -2.97 2.76 0.24 5.81 5.68 -1.23 -4.07 116.55 122.77 3lig n ASP 113 Ca -0.03 -3.35 0.07 0.00 -0.50 0.00 0.00 54.79 50.98 3lig n ASP 113 Cb 0.73 -0.58 0.57 0.00 -1.14 0.00 0.00 41.12 40.70 3lig n ASP 113 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 3lig h PRO 114 N 2.97 0.00 0.01 0.11 0.13 -1.44 0.11 132.00 133.89 3lig h PRO 114 Ca 0.11 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.84 3lig h PRO 114 Cb 0.76 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.83 3lig h PRO 114 CO 0.67 0.12 -2.34 0.28 -0.23 0.00 0.00 178.00 176.49 3lig n VAL 115 N -4.32 1.54 -3.60 1.56 0.31 -0.77 -3.94 118.33 109.11 3lig n VAL 115 Ca -0.03 -0.47 -0.09 0.00 -0.01 0.00 0.00 64.34 63.75 3lig n VAL 115 Cb 0.19 -1.68 -0.02 0.00 -0.91 0.00 0.00 33.84 31.43 3lig n VAL 115 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3lig s ALA 116 N -2.51 -1.55 -0.22 3.52 0.00 -1.05 -4.90 121.76 115.06 3lig s ALA 116 Ca -0.34 0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.95 3lig s ALA 116 Cb 0.11 0.76 0.03 0.00 0.00 0.00 0.00 23.12 24.02 3lig s ALA 116 CO 0.58 -0.86 -0.14 0.08 0.00 0.00 0.00 175.76 175.42 3lig s VAL 117 N -3.61 2.30 0.17 0.00 1.01 -1.26 -1.02 120.40 117.99 3lig s VAL 117 Ca 0.06 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 60.91 3lig s VAL 117 Cb -0.02 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 34.25 3lig s VAL 117 CO -0.05 0.29 0.22 0.49 0.00 0.00 0.00 175.10 176.06 3lig n PHE 118 N 4.58 -2.60 -1.33 5.22 3.01 -0.31 -4.42 117.46 121.61 3lig n PHE 118 Ca -0.18 -0.63 -0.37 0.00 1.01 0.00 0.00 57.45 57.28 3lig n PHE 118 Cb 0.47 -0.16 0.06 0.00 -0.01 0.00 0.00 39.48 39.84 3lig n PHE 118 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3lig n ASP 119 N -2.70 -1.29 -3.75 4.37 9.92 -1.26 -4.06 116.55 117.78 3lig n ASP 119 Ca 0.04 0.64 -0.09 0.00 -0.53 0.00 0.00 54.79 54.85 3lig n ASP 119 Cb 0.18 -1.18 -0.03 0.00 -0.64 0.00 0.00 41.12 39.44 3lig n ASP 119 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3lig s GLY 120 N -1.34 0.40 0.07 0.44 0.00 -1.26 -1.77 107.32 103.86 3lig s GLY 120 Ca 0.66 -0.73 0.01 0.00 0.00 0.00 0.00 44.72 44.65 3lig s GLY 120 CO 0.57 -0.45 -0.05 0.00 0.00 0.00 0.00 173.10 173.18 3lig s ALA 121 N -3.69 0.75 -0.06 3.20 0.00 -0.52 -0.99 121.76 120.45 3lig s ALA 121 Ca 0.19 -1.27 0.03 0.00 0.00 0.00 0.00 51.96 50.91 3lig s ALA 121 Cb -0.03 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 3lig s ALA 121 CO 0.10 -0.29 -0.16 0.08 0.00 0.00 0.00 175.76 175.49 3lig s VAL 122 N -3.68 2.85 -0.34 0.00 1.01 -1.26 -1.10 120.40 117.88 3lig s VAL 122 Ca 0.09 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 3lig s VAL 122 Cb 0.06 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 3lig s VAL 122 CO -0.07 0.57 0.25 -0.63 0.00 0.00 0.00 175.10 175.22 3lig s ILE 123 N -0.42 5.28 0.22 2.22 1.01 0.71 -4.91 121.20 125.30 3lig s ILE 123 Ca 0.05 -0.21 -0.08 0.00 0.00 0.00 0.00 60.65 60.41 3lig s ILE 123 Cb -0.12 -3.72 0.16 0.00 0.01 0.00 0.00 42.46 38.79 3lig s ILE 123 CO 0.02 -0.02 1.75 -0.65 0.00 0.00 0.00 174.94 176.04 3lig h PRO 124 N 8.49 0.45 -4.00 2.79 0.11 -1.88 0.26 132.00 138.22 3lig h PRO 124 Ca -0.31 -0.03 -0.67 0.00 0.11 0.00 0.00 66.00 65.10 3lig h PRO 124 Cb 1.16 -0.10 -0.37 0.00 0.11 0.00 0.00 31.00 31.79 3lig h PRO 124 CO 0.64 0.30 -0.55 0.08 -0.21 0.00 0.00 178.00 178.25 3lig s VAL 125 N -6.08 3.03 0.00 3.15 1.01 -1.26 -1.78 120.40 118.48 3lig s VAL 125 Ca -0.13 -2.69 0.00 0.00 0.00 0.00 0.00 61.98 59.17 3lig s VAL 125 Cb 0.18 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.48 3lig s VAL 125 CO 0.75 -0.75 0.00 0.61 0.00 0.00 0.00 175.10 175.71 3lig n GLY 126 N 3.84 2.48 3.75 4.51 0.00 -0.08 -4.83 105.19 114.86 3lig n GLY 126 Ca 0.04 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3lig n GLY 126 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3lig n VAL 127 N 0.00 1.90 -1.89 1.61 0.31 -1.25 -0.43 118.33 118.58 3lig n VAL 127 Ca 0.00 -0.47 -0.16 0.00 -0.01 0.00 0.00 64.34 63.70 3lig n VAL 127 Cb 0.00 -1.84 -0.04 0.00 -0.91 0.00 0.00 33.84 31.05 3lig n VAL 127 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3lig n ASN 128 N 0.72 -4.38 -2.43 4.52 3.02 -1.26 -1.13 115.26 114.31 3lig n ASN 128 Ca 0.03 0.26 -0.16 0.00 -0.03 0.00 0.00 54.58 54.68 3lig n ASN 128 Cb 0.38 -3.85 -0.01 0.00 -0.61 0.00 0.00 39.78 35.69 3lig n ASN 128 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3lig n ASN 129 N -1.28 -4.78 -4.47 6.41 3.02 0.43 -4.97 115.26 109.62 3lig n ASN 129 Ca -0.17 0.10 -0.23 0.00 -0.03 0.00 0.00 54.58 54.25 3lig n ASN 129 Cb 0.57 -4.02 -0.10 0.00 -0.61 0.00 0.00 39.78 35.62 3lig n ASN 129 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3lig s THR 130 N -2.80 1.76 -0.13 3.41 -4.23 -0.29 -4.51 115.64 108.85 3lig s THR 130 Ca 0.00 -2.12 -0.38 0.00 -1.18 0.00 0.00 61.69 58.01 3lig s THR 130 Cb -0.00 -2.56 -0.15 0.00 1.34 0.00 0.00 72.50 71.12 3lig s THR 130 CO 0.01 -0.23 1.64 -2.65 -0.54 0.00 0.00 174.62 172.85 3lig n PRO 131 N -0.67 1.34 -4.62 3.99 -0.02 -0.73 -0.90 135.00 133.40 3lig n PRO 131 Ca -0.05 0.49 -0.33 0.00 -2.02 0.00 0.00 63.50 61.59 3lig n PRO 131 Cb 0.64 -2.19 -0.16 0.00 -0.02 0.00 0.00 33.50 31.77 3lig n PRO 131 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3lig s THR 132 N 2.64 2.21 -0.14 3.45 2.01 0.91 -1.03 115.64 125.69 3lig s THR 132 Ca 0.93 -0.93 -0.15 0.00 0.31 0.00 0.00 61.69 61.85 3lig s THR 132 Cb -0.97 -1.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.60 3lig s THR 132 CO 0.57 0.54 0.34 -0.22 -0.69 0.00 0.00 174.62 175.16 3lig s LEU 133 N 0.83 4.27 -0.28 4.42 2.96 0.71 -0.21 118.68 131.38 3lig s LEU 133 Ca -0.06 0.61 -0.01 0.00 -0.22 0.00 0.00 54.13 54.44 3lig s LEU 133 Cb -0.15 -2.45 0.04 0.00 0.50 0.00 0.00 46.19 44.13 3lig s LEU 133 CO -0.02 0.10 -0.03 -0.22 -1.32 0.00 0.00 176.35 174.86 3lig s LEU 134 N 0.37 3.64 0.18 -0.68 2.96 -0.26 -1.45 118.68 123.44 3lig s LEU 134 Ca 0.19 -1.17 0.02 0.00 -0.22 0.00 0.00 54.13 52.95 3lig s LEU 134 Cb -0.14 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 3lig s LEU 134 CO 0.06 -0.21 0.01 -0.72 -1.32 0.00 0.00 176.35 174.16 3lig s TYR 135 N 1.26 1.27 -0.37 5.38 -0.85 -0.31 -1.44 117.35 122.28 3lig s TYR 135 Ca -0.04 -1.01 -0.26 0.00 -0.52 0.00 0.00 57.07 55.24 3lig s TYR 135 Cb -0.19 -0.72 0.02 0.00 0.38 0.00 0.00 41.96 41.45 3lig s TYR 135 CO -0.02 -0.20 0.92 0.99 -1.52 0.00 0.00 175.55 175.72 3lig s THR 136 N -3.63 4.59 -0.17 -3.49 2.01 -0.73 -0.33 115.64 113.88 3lig s THR 136 Ca 0.25 1.15 -0.15 0.00 0.31 0.00 0.00 61.69 63.25 3lig s THR 136 Cb 0.06 -4.33 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 3lig s THR 136 CO 0.05 -0.55 0.34 -0.94 -0.69 0.00 0.00 174.62 172.83 3lig s SER 137 N 1.90 6.45 -0.13 3.53 1.04 0.11 -1.16 113.70 125.44 3lig s SER 137 Ca 0.38 0.52 -0.04 0.00 0.48 0.00 0.00 55.95 57.29 3lig s SER 137 Cb -0.12 -2.21 -0.03 0.00 0.10 0.00 0.00 66.02 63.76 3lig s SER 137 CO 0.19 0.03 0.01 -0.69 0.98 0.00 0.00 173.24 173.76 3lig s VAL 138 N 0.79 4.33 0.00 5.02 1.01 -0.19 -1.48 120.40 129.88 3lig s VAL 138 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.94 3lig s VAL 138 Cb -0.14 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.37 3lig s VAL 138 CO 0.06 0.55 0.00 -1.20 0.00 0.00 0.00 175.10 174.50 3lig n SER 139 N 2.81 2.04 -3.94 3.32 7.64 -0.52 -1.85 113.62 123.11 3lig n SER 139 Ca -0.18 -0.23 -0.10 0.00 1.01 0.00 0.00 58.87 59.37 3lig n SER 139 Cb 0.53 0.88 -0.11 0.00 -1.01 0.00 0.00 64.21 64.50 3lig n SER 139 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3lig s PHE 140 N -1.28 0.18 0.04 1.43 0.08 -1.25 -4.67 117.98 112.51 3lig s PHE 140 Ca 0.00 -0.37 -0.07 0.00 0.12 0.00 0.00 56.93 56.60 3lig s PHE 140 Cb 0.00 -0.14 -0.01 0.00 -0.57 0.00 0.00 43.02 42.31 3lig s PHE 140 CO 0.00 -0.20 0.14 -0.51 -0.10 0.00 0.00 175.22 174.55 3lig s LEU 141 N -1.30 1.62 0.79 -0.37 1.43 -1.26 -4.68 118.68 114.91 3lig s LEU 141 Ca -0.14 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.36 3lig s LEU 141 Cb -0.08 0.76 0.07 0.00 0.03 0.00 0.00 46.19 46.96 3lig s LEU 141 CO -0.00 -0.54 1.11 -2.16 0.23 0.00 0.00 176.35 174.99 3lig s PRO 142 N -2.70 2.14 -0.08 1.29 0.04 -1.26 -5.13 135.00 129.31 3lig s PRO 142 Ca -0.04 0.48 -0.01 0.00 0.04 0.00 0.00 61.00 61.47 3lig s PRO 142 Cb -0.01 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.62 3lig s PRO 142 CO -0.05 -1.54 -0.00 0.42 0.04 0.00 0.00 177.00 175.86 3lig s ILE 143 N -3.27 0.44 -0.05 0.56 1.01 -1.26 -4.77 121.20 113.85 3lig s ILE 143 Ca 0.61 0.07 -0.30 0.00 0.00 0.00 0.00 60.65 61.02 3lig s ILE 143 Cb -0.13 -0.59 0.07 0.00 0.01 0.00 0.00 42.46 41.82 3lig s ILE 143 CO 0.53 0.26 0.70 -2.28 0.00 0.00 0.00 174.94 174.15 3lig s HIS 144 N 1.95 -0.63 0.30 3.97 2.46 -1.26 -5.04 115.29 117.03 3lig s HIS 144 Ca 0.05 1.04 0.26 0.00 0.47 0.00 0.00 55.06 56.87 3lig s HIS 144 Cb -0.12 0.42 1.21 0.00 -0.13 0.00 0.00 32.58 33.96 3lig s HIS 144 CO -0.06 -0.60 1.96 0.11 -2.47 0.00 0.00 174.74 173.68 3lig h TRP 145 N 2.90 0.00 -0.12 3.88 5.08 -1.95 -2.98 115.95 122.75 3lig h TRP 145 Ca -0.27 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.70 3lig h TRP 145 Cb 1.15 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.31 3lig h TRP 145 CO 0.36 0.17 0.00 -1.13 -1.28 0.00 0.00 178.44 176.57 3lig n SER 146 N -3.53 1.17 -4.23 0.11 3.41 -1.26 -4.89 113.62 104.39 3lig n SER 146 Ca -0.01 -1.65 -0.13 0.00 -0.26 0.00 0.00 58.87 56.82 3lig n SER 146 Cb 0.33 -0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.10 3lig n SER 146 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3lig s ILE 147 N -1.84 0.41 0.47 -1.33 -4.36 -1.13 -4.70 121.20 108.71 3lig s ILE 147 Ca 0.30 -1.97 -0.24 0.00 -0.26 0.00 0.00 60.65 58.47 3lig s ILE 147 Cb 0.15 -2.28 -0.08 0.00 1.25 0.00 0.00 42.46 41.51 3lig s ILE 147 CO 0.24 -0.29 1.36 -2.65 0.24 0.00 0.00 174.94 173.84 3lig n PRO 148 N -0.26 2.01 -3.22 0.37 -0.02 -1.26 -4.74 135.00 127.87 3lig n PRO 148 Ca -0.03 0.72 -0.39 0.00 -2.02 0.00 0.00 63.50 61.78 3lig n PRO 148 Cb 0.64 -2.54 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 3lig n PRO 148 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3lig s TYR 149 N -1.22 3.61 -0.26 6.00 5.04 -1.26 -4.83 117.35 124.43 3lig s TYR 149 Ca 0.64 1.10 -0.20 0.00 -2.44 0.00 0.00 57.07 56.17 3lig s TYR 149 Cb -0.46 -2.61 -0.02 0.00 0.35 0.00 0.00 41.96 39.22 3lig s TYR 149 CO 0.56 0.26 0.62 0.99 -1.34 0.00 0.00 175.55 176.63 3lig s THR 150 N 0.21 4.99 0.17 4.34 2.01 -1.26 -5.01 115.64 121.09 3lig s THR 150 Ca 0.30 1.10 -0.33 0.00 0.31 0.00 0.00 61.69 63.07 3lig s THR 150 Cb -0.17 -3.93 -0.15 0.00 0.01 0.00 0.00 72.50 68.26 3lig s THR 150 CO 0.15 0.02 1.31 -1.14 -0.69 0.00 0.00 174.62 174.28 3lig n ARG 151 N 5.70 1.49 -0.76 4.92 3.00 -1.26 -1.57 116.66 128.18 3lig n ARG 151 Ca -0.01 0.53 0.00 0.00 -0.00 0.00 0.00 57.85 58.37 3lig n ARG 151 Cb 0.49 -2.13 0.00 0.00 0.00 0.00 0.00 32.46 30.82 3lig n ARG 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3lig n GLY 152 N 2.33 0.83 0.19 5.14 0.00 -1.26 -4.94 105.19 107.48 3lig n GLY 152 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.12 3lig n GLY 152 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3lig h SER 153 N 0.00 0.34 -3.38 1.61 0.02 -1.60 -3.38 113.55 107.15 3lig h SER 153 Ca 0.00 0.02 -0.56 0.00 -0.84 0.00 0.00 61.79 60.41 3lig h SER 153 Cb 0.00 -0.04 -0.33 0.00 0.14 0.00 0.00 62.40 62.16 3lig h SER 153 CO 0.00 0.24 -0.83 -1.61 -1.14 0.00 0.00 176.83 173.49 3lig s GLU 154 N -6.14 2.04 0.22 3.45 2.02 -1.26 -1.44 118.70 117.58 3lig s GLU 154 Ca -0.13 -0.52 0.01 0.00 0.02 0.00 0.00 54.97 54.35 3lig s GLU 154 Cb 0.13 -1.64 -0.05 0.00 0.10 0.00 0.00 34.13 32.66 3lig s GLU 154 CO 0.73 0.05 0.06 0.95 0.02 0.00 0.00 175.26 177.07 3lig s THR 155 N 0.64 0.56 -0.17 3.63 -4.23 -0.55 -4.75 115.64 110.77 3lig s THR 155 Ca -0.15 -1.99 -0.01 0.00 -1.18 0.00 0.00 61.69 58.37 3lig s THR 155 Cb -0.16 -2.41 -0.00 0.00 1.34 0.00 0.00 72.50 71.26 3lig s THR 155 CO 0.04 -0.20 -0.12 -1.10 -0.54 0.00 0.00 174.62 172.70 3lig s GLN 156 N -4.00 3.28 0.35 3.99 -1.52 -0.34 0.04 119.66 121.47 3lig s GLN 156 Ca 0.32 -0.71 0.09 0.00 -1.95 0.00 0.00 55.36 53.12 3lig s GLN 156 Cb 0.07 -2.72 -0.07 0.00 -0.22 0.00 0.00 33.01 30.08 3lig s GLN 156 CO 0.09 -0.00 -0.08 -1.12 -0.25 0.00 0.00 175.29 173.93 3lig s SER 157 N 0.89 3.71 0.04 5.90 0.01 0.55 -0.87 113.70 123.92 3lig s SER 157 Ca -0.03 -1.22 0.05 0.00 1.31 0.00 0.00 55.95 56.05 3lig s SER 157 Cb -0.15 -0.35 -0.04 0.00 0.21 0.00 0.00 66.02 65.70 3lig s SER 157 CO -0.01 -0.25 -0.07 -0.76 0.41 0.00 0.00 173.24 172.56 3lig s LEU 158 N -3.62 3.14 0.01 2.44 1.43 -1.26 -1.16 118.68 119.66 3lig s LEU 158 Ca 0.33 -0.22 -0.06 0.00 -1.03 0.00 0.00 54.13 53.15 3lig s LEU 158 Cb 0.04 -1.85 -0.00 0.00 0.03 0.00 0.00 46.19 44.40 3lig s LEU 158 CO 0.17 0.24 0.10 0.00 0.23 0.00 0.00 176.35 177.09 3lig s ALA 159 N -1.08 -0.23 0.00 4.21 0.00 -0.53 -1.31 121.76 122.83 3lig s ALA 159 Ca 0.19 -0.23 0.08 0.00 0.00 0.00 0.00 51.96 52.00 3lig s ALA 159 Cb -0.11 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 3lig s ALA 159 CO 0.10 -0.20 -0.24 0.08 0.00 0.00 0.00 175.76 175.50 3lig s VAL 160 N -1.39 2.25 0.44 0.00 1.01 0.15 -0.21 120.40 122.66 3lig s VAL 160 Ca -0.15 -1.17 -0.24 0.00 0.00 0.00 0.00 61.98 60.41 3lig s VAL 160 Cb -0.08 -1.84 -0.08 0.00 0.00 0.00 0.00 36.38 34.39 3lig s VAL 160 CO 0.01 0.49 1.24 0.00 0.00 0.00 0.00 175.10 176.84 3lig s ALA 161 N -0.72 3.09 0.08 5.51 0.00 -0.20 -0.31 121.76 129.21 3lig s ALA 161 Ca 0.11 1.11 -0.01 0.00 0.00 0.00 0.00 51.96 53.17 3lig s ALA 161 Cb -0.10 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 3lig s ALA 161 CO 0.01 -0.80 0.00 1.03 0.00 0.00 0.00 175.76 176.00 3lig s ARG 162 N -2.48 0.72 -1.22 0.00 1.81 0.02 -4.84 118.95 112.96 3lig s ARG 162 Ca 0.61 -1.29 -0.32 0.00 -1.72 0.00 0.00 55.73 53.01 3lig s ARG 162 Cb -0.34 0.22 0.04 0.00 -0.45 0.00 0.00 34.95 34.42 3lig s ARG 162 CO 0.43 -0.16 0.67 -3.47 -0.68 0.00 0.00 175.30 172.09 3lig n ASP 163 N 0.04 -4.07 -2.15 0.23 2.03 -1.26 -1.28 116.55 110.10 3lig n ASP 163 Ca -0.11 -1.26 -0.19 0.00 0.52 0.00 0.00 54.79 53.74 3lig n ASP 163 Cb 0.62 -1.90 -0.01 0.00 -0.72 0.00 0.00 41.12 39.10 3lig n ASP 163 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3lig n GLY 164 N -2.06 -0.30 2.34 0.27 0.00 -1.26 -1.73 105.19 102.44 3lig n GLY 164 Ca -0.12 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3lig n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lig n GLY 165 N -1.00 0.58 0.00 -0.02 0.00 -0.40 -4.87 105.19 99.48 3lig n GLY 165 Ca -0.23 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.91 3lig n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lig n ARG 166 N -2.51 0.57 -3.53 1.61 1.74 -0.71 -4.76 116.66 109.07 3lig n ARG 166 Ca 0.00 0.03 -0.16 0.00 -0.77 0.00 0.00 57.85 56.95 3lig n ARG 166 Cb 0.03 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.91 3lig n ARG 166 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3lig s ARG 167 N -2.27 0.95 -0.18 5.56 3.52 -1.17 -4.66 118.95 120.70 3lig s ARG 167 Ca 0.30 0.18 0.01 0.00 -0.13 0.00 0.00 55.73 56.08 3lig s ARG 167 Cb 0.16 0.45 0.04 0.00 -1.56 0.00 0.00 34.95 34.04 3lig s ARG 167 CO 0.32 -0.31 -0.11 -0.06 -0.81 0.00 0.00 175.30 174.33 3lig s PHE 168 N -1.36 2.27 -0.08 5.12 0.40 -0.38 -0.80 117.98 123.14 3lig s PHE 168 Ca -0.08 -1.43 -0.21 0.00 -0.60 0.00 0.00 56.93 54.61 3lig s PHE 168 Cb -0.00 -1.59 -0.04 0.00 0.51 0.00 0.00 43.02 41.90 3lig s PHE 168 CO 0.06 -0.71 0.60 -0.51 0.70 0.00 0.00 175.22 175.37 3lig s ASP 169 N 1.45 6.86 0.22 1.36 1.01 0.58 -4.62 116.67 123.54 3lig s ASP 169 Ca 0.01 1.03 -0.30 0.00 0.71 0.00 0.00 52.55 54.00 3lig s ASP 169 Cb -0.15 -2.36 -0.09 0.00 1.01 0.00 0.00 42.92 41.33 3lig s ASP 169 CO -0.09 -0.05 1.24 -0.54 0.21 0.00 0.00 175.17 175.95 3lig s LYS 170 N 0.65 4.45 0.37 8.23 1.02 -1.26 0.33 119.74 133.53 3lig s LYS 170 Ca 0.32 1.99 -0.27 0.00 0.02 0.00 0.00 55.97 58.03 3lig s LYS 170 Cb -0.17 -3.19 -0.09 0.00 -0.52 0.00 0.00 37.83 33.86 3lig s LYS 170 CO 0.15 -0.13 1.24 -0.51 -0.92 0.00 0.00 175.35 175.18 3lig s LEU 171 N -0.58 4.29 -1.47 3.17 1.43 -0.43 -4.88 118.68 120.21 3lig s LEU 171 Ca 0.53 2.53 -0.12 0.00 -1.03 0.00 0.00 54.13 56.03 3lig s LEU 171 Cb -0.35 -3.86 0.03 0.00 0.03 0.00 0.00 46.19 42.04 3lig s LEU 171 CO 0.40 -0.65 2.36 -0.67 0.23 0.00 0.00 176.35 178.02 3lig n ASP 172 N 0.37 5.20 -3.75 2.29 2.03 -1.26 -4.80 116.55 116.62 3lig n ASP 172 Ca 0.03 -2.82 -0.06 0.00 0.52 0.00 0.00 54.79 52.45 3lig n ASP 172 Cb 0.44 -1.61 -0.01 0.00 -0.72 0.00 0.00 41.12 39.22 3lig n ASP 172 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3lig s GLN 173 N 2.54 1.68 1.02 -0.67 -2.07 -1.26 -5.18 119.66 115.72 3lig s GLN 173 Ca 0.51 -0.95 -0.17 0.00 -1.82 0.00 0.00 55.36 52.93 3lig s GLN 173 Cb 0.15 0.56 0.25 0.00 -1.09 0.00 0.00 33.01 32.88 3lig s GLN 173 CO -0.07 -0.77 1.01 0.41 -1.32 0.00 0.00 175.29 174.54 3lig n GLY 174 N -0.47 -2.39 3.76 2.60 0.00 -1.26 -4.88 105.19 102.54 3lig n GLY 174 Ca -0.05 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 3lig n GLY 174 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3lig s PRO 175 N -5.27 3.48 0.42 1.61 0.04 -1.26 -4.83 135.00 129.19 3lig s PRO 175 Ca 0.63 2.21 0.25 0.00 0.04 0.00 0.00 61.00 64.13 3lig s PRO 175 Cb -0.05 -2.45 0.62 0.00 0.04 0.00 0.00 34.50 32.66 3lig s PRO 175 CO 0.47 -0.91 1.70 -0.39 0.04 0.00 0.00 177.00 177.92 3lig h VAL 176 N 1.86 0.00 -2.93 -0.36 -1.51 -1.30 -3.33 116.25 108.67 3lig h VAL 176 Ca -0.50 -0.81 -0.59 0.00 -1.23 0.00 0.00 66.70 63.56 3lig h VAL 176 Cb 1.28 1.80 -0.40 0.00 -2.13 0.00 0.00 31.29 31.84 3lig h VAL 176 CO 0.59 0.00 -0.77 -0.63 -1.23 0.00 0.00 177.57 175.53 3lig s ILE 177 N -3.28 0.91 -2.19 7.19 1.01 -1.11 -4.54 121.20 119.18 3lig s ILE 177 Ca 0.06 -1.96 0.20 0.00 0.00 0.00 0.00 60.65 58.95 3lig s ILE 177 Cb 0.07 -1.66 0.47 0.00 0.01 0.00 0.00 42.46 41.35 3lig s ILE 177 CO 0.63 -0.85 1.58 0.00 0.00 0.00 0.00 174.94 176.30 3lig n ALA 178 N 4.10 2.54 -3.48 9.38 0.00 -1.25 -1.19 120.51 130.60 3lig n ALA 178 Ca 0.06 -0.41 -0.10 0.00 0.00 0.00 0.00 53.44 52.99 3lig n ALA 178 Cb 0.37 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 3lig n ALA 178 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3lig s ASP 179 N -1.56 -0.44 0.73 0.00 2.15 -1.26 -4.90 116.67 111.39 3lig s ASP 179 Ca 0.31 0.06 -0.11 0.00 0.43 0.00 0.00 52.55 53.23 3lig s ASP 179 Cb 0.16 0.46 0.03 0.00 -0.30 0.00 0.00 42.92 43.27 3lig s ASP 179 CO 0.24 -0.72 1.10 -1.38 -0.17 0.00 0.00 175.17 174.25 3lig s HIS 180 N -3.12 3.18 0.15 -5.34 -3.43 -1.26 -4.94 115.29 100.53 3lig s HIS 180 Ca 0.03 1.05 -0.32 0.00 -0.80 0.00 0.00 55.06 55.02 3lig s HIS 180 Cb -0.01 -3.11 -0.17 0.00 -1.43 0.00 0.00 32.58 27.86 3lig s HIS 180 CO -0.09 -1.36 0.79 -2.30 -2.00 0.00 0.00 174.74 169.78 3lig n PRO 181 N -3.13 0.27 -1.67 -0.38 -0.02 -1.26 -4.68 135.00 124.13 3lig n PRO 181 Ca 0.07 0.09 -0.57 0.00 -2.02 0.00 0.00 63.50 61.07 3lig n PRO 181 Cb 0.57 -1.32 -0.07 0.00 -0.02 0.00 0.00 33.50 32.66 3lig n PRO 181 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3lig n PHE 182 N 0.61 1.98 -1.02 6.00 7.35 -1.26 -1.93 117.46 129.19 3lig n PHE 182 Ca 0.17 0.54 -0.01 0.00 -0.76 0.00 0.00 57.45 57.40 3lig n PHE 182 Cb 0.21 -2.45 -0.00 0.00 0.35 0.00 0.00 39.48 37.59 3lig n PHE 182 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3lig n ALA 183 N 5.84 -0.01 -2.64 3.13 0.00 -1.26 -4.97 120.51 120.60 3lig n ALA 183 Ca 0.29 0.01 -0.40 0.00 0.00 0.00 0.00 53.44 53.34 3lig n ALA 183 Cb 0.12 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.35 3lig n ALA 183 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3lig s VAL 184 N -1.30 5.00 -1.16 0.00 1.01 -0.81 -4.97 120.40 118.16 3lig s VAL 184 Ca 0.00 1.18 -0.19 0.00 0.00 0.00 0.00 61.98 62.97 3lig s VAL 184 Cb 0.00 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3lig s VAL 184 CO 0.00 0.06 1.99 -0.67 0.00 0.00 0.00 175.10 176.48 3lig n ASP 185 N 5.40 3.51 -4.76 3.32 2.03 -1.26 -4.80 116.55 119.98 3lig n ASP 185 Ca -0.01 -2.78 -0.35 0.00 0.52 0.00 0.00 54.79 52.17 3lig n ASP 185 Cb 0.49 -1.52 0.03 0.00 -0.72 0.00 0.00 41.12 39.41 3lig n ASP 185 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3lig s VAL 186 N 5.29 2.88 -0.16 5.18 -7.23 -1.26 -0.55 120.40 124.55 3lig s VAL 186 Ca 0.55 0.51 0.19 0.00 -1.81 0.00 0.00 61.98 61.42 3lig s VAL 186 Cb 0.10 -3.14 -0.10 0.00 0.56 0.00 0.00 36.38 33.80 3lig s VAL 186 CO 0.05 -0.16 0.86 0.35 -0.31 0.00 0.00 175.10 175.88 3lig n THR 187 N -1.80 0.95 -3.53 5.32 -2.24 -0.45 -4.64 114.28 107.91 3lig n THR 187 Ca 0.12 -0.64 -0.08 0.00 -2.27 0.00 0.00 64.05 61.18 3lig n THR 187 Cb 0.51 -0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 3lig n THR 187 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3lig s ALA 188 N -3.09 -1.87 -0.46 6.98 0.00 -1.26 -4.04 121.76 118.03 3lig s ALA 188 Ca -0.03 1.18 0.07 0.00 0.00 0.00 0.00 51.96 53.18 3lig s ALA 188 Cb 0.09 0.17 0.24 0.00 0.00 0.00 0.00 23.12 23.62 3lig s ALA 188 CO 0.81 -0.61 0.76 0.34 0.00 0.00 0.00 175.76 177.06 3lig n PHE 189 N -0.06 -2.39 -4.19 0.00 7.35 -1.22 -3.78 117.46 113.17 3lig n PHE 189 Ca -0.08 -2.33 -0.16 0.00 -0.76 0.00 0.00 57.45 54.11 3lig n PHE 189 Cb 0.61 0.94 -0.07 0.00 0.35 0.00 0.00 39.48 41.31 3lig n PHE 189 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 3lig s ARG 190 N 0.10 1.73 -0.91 -4.13 1.70 -0.68 -4.64 118.95 112.12 3lig s ARG 190 Ca 0.33 -1.84 -0.01 0.00 -0.47 0.00 0.00 55.73 53.74 3lig s ARG 190 Cb 0.20 0.37 -0.02 0.00 -0.57 0.00 0.00 34.95 34.93 3lig s ARG 190 CO -0.20 -0.67 0.77 0.00 -1.08 0.00 0.00 175.30 174.12 3lig n ALA 191 N -0.54 -1.74 -1.73 7.88 0.00 -1.26 -0.46 120.51 122.65 3lig n ALA 191 Ca 0.04 -0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 3lig n ALA 191 Cb 0.62 -2.82 -0.01 0.00 0.00 0.00 0.00 19.45 17.24 3lig n ALA 191 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3lig n PRO 192 N -3.30 2.45 -4.39 0.00 -0.04 -1.26 -4.43 135.00 124.04 3lig n PRO 192 Ca -0.18 0.86 -0.27 0.00 -0.04 0.00 0.00 63.50 63.88 3lig n PRO 192 Cb 0.62 -2.56 -0.17 0.00 -0.04 0.00 0.00 33.50 31.36 3lig n PRO 192 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3lig s PHE 193 N -0.69 1.74 0.05 0.54 5.36 -0.52 -3.51 117.98 120.95 3lig s PHE 193 Ca 0.58 -0.78 -0.07 0.00 -0.96 0.00 0.00 56.93 55.70 3lig s PHE 193 Cb -0.53 -1.29 -0.05 0.00 -0.34 0.00 0.00 43.02 40.81 3lig s PHE 193 CO 0.58 -0.43 0.32 0.14 -1.46 0.00 0.00 175.22 174.37 3lig s VAL 194 N 1.03 5.23 0.03 3.12 -7.23 -1.26 -1.24 120.40 120.08 3lig s VAL 194 Ca -0.07 0.18 -0.27 0.00 -1.81 0.00 0.00 61.98 60.01 3lig s VAL 194 Cb -0.15 -3.60 0.09 0.00 0.56 0.00 0.00 36.38 33.29 3lig s VAL 194 CO -0.01 0.27 0.82 0.72 -0.31 0.00 0.00 175.10 176.58 3lig s PHE 195 N -1.40 -0.40 0.13 2.82 -0.12 -0.78 -4.95 117.98 113.28 3lig s PHE 195 Ca 0.32 0.26 0.08 0.00 -0.05 0.00 0.00 56.93 57.54 3lig s PHE 195 Cb -0.13 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.76 3lig s PHE 195 CO 0.19 -0.62 -0.11 1.03 -0.05 0.00 0.00 175.22 175.66 3lig s ARG 196 N -3.22 2.04 -0.20 1.99 0.52 -1.26 -0.58 118.95 118.23 3lig s ARG 196 Ca 0.04 -1.12 -0.10 0.00 -0.52 0.00 0.00 55.73 54.02 3lig s ARG 196 Cb -0.01 -2.23 0.07 0.00 0.52 0.00 0.00 34.95 33.30 3lig s ARG 196 CO -0.10 0.48 0.48 0.45 0.02 0.00 0.00 175.30 176.63 3lig s SER 197 N -2.37 -0.59 0.04 0.23 0.15 -1.26 -4.81 113.70 105.10 3lig s SER 197 Ca 0.22 1.07 -0.21 0.00 0.70 0.00 0.00 55.95 57.72 3lig s SER 197 Cb -0.10 1.06 -0.14 0.00 -1.71 0.00 0.00 66.02 65.13 3lig s SER 197 CO 0.13 -0.21 1.42 0.00 1.20 0.00 0.00 173.24 175.78 3lig h ALA 198 N 7.32 0.18 -0.73 5.45 0.00 -1.64 -2.29 119.26 127.54 3lig h ALA 198 Ca -0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 3lig h ALA 198 Cb 1.18 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3lig h ALA 198 CO 0.23 -0.06 0.37 -0.09 0.00 0.00 0.00 179.25 179.70 3lig h ARG 199 N -0.06 1.03 -0.50 0.00 2.43 -1.87 0.61 114.38 116.03 3lig h ARG 199 Ca 0.03 -0.14 -0.11 0.00 -0.81 0.00 0.00 59.98 58.96 3lig h ARG 199 Cb 0.47 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 3lig h ARG 199 CO 0.01 0.79 -0.10 -0.07 -1.51 0.00 0.00 179.97 179.10 3lig h LEU 200 N 1.01 0.96 -0.46 3.80 3.38 -1.94 -0.01 115.31 122.05 3lig h LEU 200 Ca 0.25 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3lig h LEU 200 Cb 0.08 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3lig h LEU 200 CO -0.04 1.09 0.27 0.44 0.09 0.00 0.00 178.44 180.29 3lig h ASP 201 N 0.82 0.43 0.06 -0.43 3.32 -0.97 -1.42 116.42 118.23 3lig h ASP 201 Ca 0.13 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 3lig h ASP 201 Cb 0.66 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3lig h ASP 201 CO 0.05 0.31 -0.03 0.58 -1.72 0.00 0.00 179.24 178.42 3lig h VAL 202 N 0.54 1.01 -0.84 -1.35 2.07 -0.59 -2.13 116.25 114.96 3lig h VAL 202 Ca 0.19 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.57 3lig h VAL 202 Cb 0.03 1.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 3lig h VAL 202 CO -0.09 0.06 0.49 -0.07 0.02 0.00 0.00 177.57 177.98 3lig h LEU 203 N -0.18 0.72 -0.85 2.57 3.38 -0.81 -0.65 115.31 119.49 3lig h LEU 203 Ca -0.01 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3lig h LEU 203 Cb 0.15 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3lig h LEU 203 CO 0.01 0.42 -0.20 -0.07 0.09 0.00 0.00 178.44 178.70 3lig h LEU 204 N 0.84 0.00 0.11 1.67 3.38 -1.12 -3.29 115.31 116.89 3lig h LEU 204 Ca 0.40 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 58.01 3lig h LEU 204 Cb 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3lig h LEU 204 CO -0.23 0.20 -1.97 -1.54 0.09 0.00 0.00 178.44 174.99 3lig n SER 205 N -3.28 1.96 -4.76 -0.43 3.41 -0.78 -4.96 113.62 104.79 3lig n SER 205 Ca 0.01 0.23 -0.35 0.00 -0.26 0.00 0.00 58.87 58.50 3lig n SER 205 Cb 0.47 -0.75 0.03 0.00 -0.26 0.00 0.00 64.21 63.70 3lig n SER 205 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3lig s LEU 206 N -6.91 3.66 0.63 1.04 1.43 -0.32 -4.98 118.68 113.23 3lig s LEU 206 Ca -0.20 2.31 -0.18 0.00 -1.03 0.00 0.00 54.13 55.02 3lig s LEU 206 Cb 0.07 -4.59 -0.02 0.00 0.03 0.00 0.00 46.19 41.68 3lig s LEU 206 CO 0.77 -1.51 1.27 -1.81 0.23 0.00 0.00 176.35 175.31 3lig s ASP 207 N -1.71 4.77 0.11 2.29 1.01 -1.26 -4.65 116.67 117.23 3lig s ASP 207 Ca 0.75 2.56 -0.33 0.00 0.71 0.00 0.00 52.55 56.24 3lig s ASP 207 Cb -0.28 -2.61 -0.12 0.00 1.01 0.00 0.00 42.92 40.91 3lig s ASP 207 CO 0.32 -1.89 1.56 1.05 0.21 0.00 0.00 175.17 176.42 3lig h GLU 208 N 0.65 -0.64 0.00 8.23 4.11 -1.94 0.55 114.58 125.54 3lig h GLU 208 Ca -0.51 0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.97 3lig h GLU 208 Cb 1.33 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.72 3lig h GLU 208 CO 0.54 -0.43 0.00 0.39 0.07 0.00 0.00 179.01 179.58 3lig n GLU 209 N -5.47 0.11 -0.03 1.06 4.71 -1.26 -1.81 120.64 117.96 3lig n GLU 209 Ca -0.07 0.47 -0.21 0.00 -0.01 0.00 0.00 57.16 57.34 3lig n GLU 209 Cb 0.40 -1.77 -0.13 0.00 -1.01 0.00 0.00 31.44 28.93 3lig n GLU 209 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3lig n VAL 210 N -1.98 1.72 0.52 2.62 0.31 -0.67 -3.74 118.33 117.11 3lig n VAL 210 Ca 0.01 -0.59 0.02 0.00 -0.01 0.00 0.00 64.34 63.76 3lig n VAL 210 Cb 0.12 -1.71 0.10 0.00 -0.91 0.00 0.00 33.84 31.43 3lig n VAL 210 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3lig n ALA 211 N -3.09 1.78 -0.02 3.52 0.00 0.19 -2.89 120.51 120.00 3lig n ALA 211 Ca -0.35 -0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.06 3lig n ALA 211 Cb 1.01 -1.05 -0.00 0.00 0.00 0.00 0.00 19.45 19.40 3lig n ALA 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lig h ARG 212 N 0.00 0.00 -6.34 0.00 2.47 -1.60 -3.42 114.38 105.49 3lig h ARG 212 Ca 0.00 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.13 3lig h ARG 212 Cb 0.00 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.34 3lig h ARG 212 CO 0.00 0.00 1.09 0.27 0.56 0.00 0.00 179.97 181.89 3lig n ASN 213 N -2.84 3.58 -0.19 7.04 6.94 -1.14 -4.85 115.26 123.80 3lig n ASN 213 Ca -0.02 0.97 0.12 0.00 -0.02 0.00 0.00 54.58 55.64 3lig n ASN 213 Cb 0.06 -1.42 0.43 0.00 -2.36 0.00 0.00 39.78 36.50 3lig n ASN 213 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 3lig h GLU 214 N 9.01 0.56 0.21 -3.83 5.08 -1.89 -3.08 114.58 120.63 3lig h GLU 214 Ca -0.48 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 57.86 3lig h GLU 214 Cb 1.26 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 3lig h GLU 214 CO 0.94 0.37 -0.38 1.15 -1.00 0.00 0.00 179.01 180.09 3lig h THR 215 N 0.57 0.22 -0.65 1.13 2.02 -1.93 -0.73 112.91 113.54 3lig h THR 215 Ca 0.37 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.59 3lig h THR 215 Cb 0.64 0.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 3lig h THR 215 CO -0.14 0.00 0.38 0.00 0.37 0.00 0.00 175.52 176.14 3lig h ALA 216 N -0.18 0.85 0.56 6.16 0.00 -1.83 -2.74 119.26 122.08 3lig h ALA 216 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3lig h ALA 216 Cb 0.66 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3lig h ALA 216 CO -0.17 0.11 -0.46 0.28 0.00 0.00 0.00 179.25 179.01 3lig h VAL 217 N 0.74 0.00 -0.78 0.00 2.07 -1.47 -2.61 116.25 114.20 3lig h VAL 217 Ca 0.27 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.99 3lig h VAL 217 Cb 0.08 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.81 3lig h VAL 217 CO -0.13 0.00 0.54 -0.61 0.02 0.00 0.00 177.57 177.39 3lig h GLN 218 N -1.00 0.21 -0.37 1.57 5.75 -1.10 0.55 115.11 120.72 3lig h GLN 218 Ca -0.07 -0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.30 3lig h GLN 218 Cb 0.84 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.33 3lig h GLN 218 CO -0.00 0.14 -0.22 1.96 -2.65 0.00 0.00 178.83 178.05 3lig h GLN 219 N 0.21 0.73 -0.31 1.69 4.20 -1.17 -2.06 115.11 118.40 3lig h GLN 219 Ca 0.39 -0.29 -0.07 0.00 0.06 0.00 0.00 58.65 58.74 3lig h GLN 219 Cb 1.20 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 3lig h GLN 219 CO -0.08 0.89 -0.08 0.00 -0.67 0.00 0.00 178.83 178.89 3lig h ALA 220 N 1.11 0.43 -0.91 3.87 0.00 -0.57 -3.13 119.26 120.07 3lig h ALA 220 Ca 0.09 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.74 3lig h ALA 220 Cb 0.72 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3lig h ALA 220 CO 0.06 0.26 0.59 0.28 0.00 0.00 0.00 179.25 180.44 3lig h VAL 221 N 0.37 1.17 -0.89 0.00 2.07 -1.16 -2.62 116.25 115.19 3lig h VAL 221 Ca 0.08 -0.40 0.19 0.00 0.82 0.00 0.00 66.70 67.39 3lig h VAL 221 Cb 0.56 -0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 30.17 3lig h VAL 221 CO 0.03 0.21 0.59 0.44 0.02 0.00 0.00 177.57 178.86 3lig h ASP 222 N 1.16 0.45 -0.62 0.57 3.32 -1.31 -1.28 116.42 118.70 3lig h ASP 222 Ca 0.36 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.45 3lig h ASP 222 Cb -0.02 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3lig h ASP 222 CO -0.11 0.19 0.00 0.61 -1.72 0.00 0.00 179.24 178.21 3lig n GLY 223 N -1.50 2.79 3.75 2.75 0.00 -0.99 -4.97 105.19 107.02 3lig n GLY 223 Ca 0.19 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 3lig n GLY 223 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3lig s TRP 224 N -2.18 3.84 -0.17 1.61 -0.00 -0.49 -5.05 118.94 116.50 3lig s TRP 224 Ca 0.52 1.83 0.01 0.00 -0.00 0.00 0.00 56.10 58.47 3lig s TRP 224 Cb 0.36 -3.09 0.02 0.00 -0.00 0.00 0.00 33.47 30.76 3lig s TRP 224 CO 0.21 0.09 -0.20 0.95 -0.00 0.00 0.00 176.95 178.00 3lig s THR 225 N -1.09 2.04 0.11 5.86 -4.23 -1.26 -5.05 115.64 112.03 3lig s THR 225 Ca 0.43 -0.93 -0.25 0.00 -1.18 0.00 0.00 61.69 59.76 3lig s THR 225 Cb -0.28 -1.84 -0.09 0.00 1.34 0.00 0.00 72.50 71.63 3lig s THR 225 CO 0.35 0.54 1.67 -0.08 -0.54 0.00 0.00 174.62 176.56 3lig h GLU 226 N 7.88 -0.28 -1.00 3.99 4.22 -1.98 -3.26 114.58 124.15 3lig h GLU 226 Ca -0.44 0.02 0.38 0.00 0.08 0.00 0.00 59.36 59.39 3lig h GLU 226 Cb 1.14 0.06 -0.17 0.00 0.50 0.00 0.00 28.75 30.29 3lig h GLU 226 CO 0.63 -0.19 0.52 0.87 -2.18 0.00 0.00 179.01 178.66 3lig h LYS 227 N -0.29 0.11 -0.32 1.92 1.57 -2.04 -1.51 116.57 116.01 3lig h LYS 227 Ca 0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3lig h LYS 227 Cb 0.33 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3lig h LYS 227 CO -0.11 0.07 0.00 0.27 -0.57 0.00 0.00 179.45 179.11 3lig n ASN 228 N -5.20 3.07 -4.80 0.86 0.23 -1.23 -5.02 115.26 103.17 3lig n ASN 228 Ca 0.35 -1.89 -0.33 0.00 -0.53 0.00 0.00 54.58 52.17 3lig n ASN 228 Cb 1.16 -0.20 -0.02 0.00 -2.08 0.00 0.00 39.78 38.63 3lig n ASN 228 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3lig s ALA 229 N -1.25 2.85 0.69 -2.53 0.00 -0.57 -4.61 121.76 116.32 3lig s ALA 229 Ca 0.30 0.52 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 3lig s ALA 229 Cb 0.18 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 20.06 3lig s ALA 229 CO 0.25 -0.44 1.06 -1.25 0.00 0.00 0.00 175.76 175.38 3lig s PRO 230 N -3.53 3.03 0.06 0.00 0.04 -1.26 -4.75 135.00 128.59 3lig s PRO 230 Ca 0.66 0.74 -0.17 0.00 0.04 0.00 0.00 61.00 62.26 3lig s PRO 230 Cb -0.16 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.30 3lig s PRO 230 CO 0.25 -0.97 0.51 -1.58 0.04 0.00 0.00 177.00 175.25 3lig s TRP 231 N -3.17 3.75 0.13 0.56 0.52 -1.26 -4.59 118.94 114.87 3lig s TRP 231 Ca 0.57 1.13 0.05 0.00 0.02 0.00 0.00 56.10 57.88 3lig s TRP 231 Cb -0.12 -2.40 -0.04 0.00 -1.15 0.00 0.00 33.47 29.76 3lig s TRP 231 CO 0.54 0.58 0.05 0.71 0.02 0.00 0.00 176.95 178.85 3lig s TYR 232 N -1.16 3.01 -0.07 -1.98 2.02 0.25 -1.68 117.35 117.74 3lig s TYR 232 Ca 0.29 -0.04 0.00 0.00 -0.37 0.00 0.00 57.07 56.95 3lig s TYR 232 Cb -0.18 -1.50 0.02 0.00 -0.40 0.00 0.00 41.96 39.91 3lig s TYR 232 CO 0.17 0.51 -0.06 0.08 -1.57 0.00 0.00 175.55 174.68 3lig s VAL 233 N -1.55 0.75 -0.27 0.71 1.01 0.91 -1.86 120.40 120.10 3lig s VAL 233 Ca 0.28 -0.18 -0.07 0.00 0.00 0.00 0.00 61.98 62.01 3lig s VAL 233 Cb -0.11 -0.78 -0.00 0.00 0.00 0.00 0.00 36.38 35.49 3lig s VAL 233 CO 0.20 0.30 0.06 0.00 0.00 0.00 0.00 175.10 175.66 3lig s ALA 234 N 1.31 3.06 -0.10 5.51 0.00 -0.38 -0.51 121.76 130.65 3lig s ALA 234 Ca -0.04 -1.32 -0.04 0.00 0.00 0.00 0.00 51.96 50.56 3lig s ALA 234 Cb -0.14 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 3lig s ALA 234 CO -0.03 -0.73 0.05 0.08 0.00 0.00 0.00 175.76 175.14 3lig s VAL 235 N 1.53 4.74 0.04 0.00 1.01 0.38 -1.43 120.40 126.66 3lig s VAL 235 Ca 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 3lig s VAL 235 Cb -0.16 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 3lig s VAL 235 CO 0.02 0.61 0.16 -0.44 0.00 0.00 0.00 175.10 175.45 3lig s SER 236 N -0.91 6.12 0.00 3.32 0.01 0.39 -0.25 113.70 122.37 3lig s SER 236 Ca 0.14 0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.62 3lig s SER 236 Cb -0.12 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.28 3lig s SER 236 CO 0.03 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.49 3lig n GLY 237 N 0.58 -0.43 0.00 3.44 0.00 -0.65 -1.69 105.19 106.44 3lig n GLY 237 Ca -0.08 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3lig n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lig n GLY 238 N 0.00 -1.40 2.91 -0.02 0.00 -1.25 -0.62 105.19 104.82 3lig n GLY 238 Ca 0.00 -0.99 -0.21 0.00 0.00 0.00 0.00 46.02 44.82 3lig n GLY 238 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lig s VAL 239 N -2.75 0.64 0.17 1.61 1.01 0.24 -1.34 120.40 119.98 3lig s VAL 239 Ca 0.00 -0.18 -0.34 0.00 0.00 0.00 0.00 61.98 61.46 3lig s VAL 239 Cb 0.00 -0.65 -0.14 0.00 0.00 0.00 0.00 36.38 35.59 3lig s VAL 239 CO 0.00 0.25 1.52 1.41 0.00 0.00 0.00 175.10 178.28 3lig n HIS 240 N 4.02 2.17 -0.91 5.22 8.25 0.29 -1.38 115.22 132.89 3lig n HIS 240 Ca -0.24 0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 3lig n HIS 240 Cb 0.51 -2.51 0.00 0.00 1.12 0.00 0.00 29.99 29.11 3lig n HIS 240 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3lig n GLY 241 N 3.09 0.47 1.28 -1.41 0.00 -1.26 -4.74 105.19 102.60 3lig n GLY 241 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3lig n GLY 241 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3lig n VAL 242 N -2.32 0.00 0.00 1.61 0.31 -0.48 -4.97 118.33 112.48 3lig n VAL 242 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3lig n VAL 242 Cb 0.10 -1.07 0.00 0.00 -0.91 0.00 0.00 33.84 31.96 3lig n VAL 242 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3lig n GLY 243 N 2.46 3.18 3.73 2.92 0.00 -0.53 -1.46 105.19 115.49 3lig n GLY 243 Ca 0.00 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 3lig n GLY 243 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3lig s PRO 244 N -2.04 2.28 0.20 1.61 0.04 -1.17 -0.59 135.00 135.32 3lig s PRO 244 Ca 0.00 1.77 -0.23 0.00 0.04 0.00 0.00 61.00 62.57 3lig s PRO 244 Cb 0.00 -1.85 0.05 0.00 0.04 0.00 0.00 34.50 32.74 3lig s PRO 244 CO 0.00 -1.73 0.85 0.00 0.04 0.00 0.00 177.00 176.16 3lig s ALA 245 N -1.93 -1.48 -0.10 8.56 0.00 -0.58 -2.08 121.76 124.15 3lig s ALA 245 Ca 0.75 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.73 3lig s ALA 245 Cb -0.29 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.56 3lig s ALA 245 CO 0.44 -1.02 -0.22 -0.65 0.00 0.00 0.00 175.76 174.30 3lig s GLN 246 N -3.55 2.91 -0.22 0.00 -0.21 0.07 -1.63 119.66 117.03 3lig s GLN 246 Ca 0.11 -0.83 -0.15 0.00 0.02 0.00 0.00 55.36 54.52 3lig s GLN 246 Cb -0.03 -2.24 -0.04 0.00 1.00 0.00 0.00 33.01 31.70 3lig s GLN 246 CO 0.03 0.13 0.35 -0.06 -2.12 0.00 0.00 175.29 173.62 3lig s PHE 247 N 0.47 3.34 -0.12 0.91 0.08 0.65 -3.08 117.98 120.23 3lig s PHE 247 Ca -0.16 0.51 -0.05 0.00 0.12 0.00 0.00 56.93 57.35 3lig s PHE 247 Cb -0.17 -2.48 -0.04 0.00 -0.57 0.00 0.00 43.02 39.76 3lig s PHE 247 CO 0.06 -0.03 0.06 -1.17 -0.10 0.00 0.00 175.22 174.05 3lig s LEU 248 N 1.37 3.89 0.22 -0.37 2.96 -0.39 -0.47 118.68 125.88 3lig s LEU 248 Ca 0.16 0.23 0.00 0.00 -0.22 0.00 0.00 54.13 54.31 3lig s LEU 248 Cb -0.15 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 3lig s LEU 248 CO 0.07 0.34 0.09 -0.31 -1.32 0.00 0.00 176.35 175.23 3lig s TYR 249 N -0.63 1.31 -0.01 5.38 2.02 0.33 -0.21 117.35 125.54 3lig s TYR 249 Ca 0.11 -1.23 -0.29 0.00 -0.37 0.00 0.00 57.07 55.29 3lig s TYR 249 Cb -0.12 -0.72 0.07 0.00 -0.40 0.00 0.00 41.96 40.79 3lig s TYR 249 CO 0.02 -0.43 0.66 -0.98 -1.57 0.00 0.00 175.55 173.25 3lig s ARG 250 N -4.06 1.10 -0.11 -0.62 1.70 -0.70 -0.06 118.95 116.20 3lig s ARG 250 Ca 0.35 0.10 -0.40 0.00 -0.47 0.00 0.00 55.73 55.31 3lig s ARG 250 Cb 0.07 0.51 -0.18 0.00 -0.57 0.00 0.00 34.95 34.79 3lig s ARG 250 CO 0.11 -0.37 1.40 1.04 -1.08 0.00 0.00 175.30 176.39 3lig n GLN 251 N 0.65 0.66 -1.57 3.89 6.02 -0.68 -0.58 117.38 125.77 3lig n GLN 251 Ca -0.19 0.24 -0.54 0.00 -0.01 0.00 0.00 57.00 56.51 3lig n GLN 251 Cb 0.59 -1.83 -0.06 0.00 1.02 0.00 0.00 30.24 29.95 3lig n GLN 251 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3lig n ASN 252 N 3.13 1.23 -0.04 1.08 5.15 -0.01 -0.51 115.26 125.29 3lig n ASN 252 Ca 0.23 1.13 -0.01 0.00 -0.60 0.00 0.00 54.58 55.33 3lig n ASN 252 Cb 0.11 -1.12 -0.00 0.00 -0.53 0.00 0.00 39.78 38.23 3lig n ASN 252 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3lig n GLY 253 N 2.26 0.19 2.19 8.20 0.00 -1.26 -2.16 105.19 114.62 3lig n GLY 253 Ca 0.19 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 3lig n GLY 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lig n GLY 254 N -0.20 0.62 3.50 -0.02 0.00 0.33 -4.97 105.19 104.44 3lig n GLY 254 Ca -0.01 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 3lig n GLY 254 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3lig s ASN 255 N -2.81 6.31 0.42 1.61 3.84 -0.92 -4.45 114.94 118.93 3lig s ASN 255 Ca 0.00 -0.51 0.19 0.00 0.21 0.00 0.00 52.86 52.75 3lig s ASN 255 Cb 0.00 -2.39 1.04 0.00 -0.55 0.00 0.00 41.25 39.35 3lig s ASN 255 CO 0.00 -1.13 1.53 0.00 -2.79 0.00 0.00 177.10 174.71 3lig h ALA 256 N 9.22 1.20 -0.03 1.71 0.00 -1.85 0.31 119.26 129.82 3lig h ALA 256 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3lig h ALA 256 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3lig h ALA 256 CO 1.05 -0.20 -0.12 0.43 0.00 0.00 0.00 179.25 180.41 3lig n SER 257 N -2.31 2.74 -4.52 0.00 7.64 -1.26 -4.88 113.62 111.03 3lig n SER 257 Ca -0.01 -1.87 -0.43 0.00 1.01 0.00 0.00 58.87 57.57 3lig n SER 257 Cb 0.29 0.13 -0.06 0.00 -1.01 0.00 0.00 64.21 63.56 3lig n SER 257 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3lig s GLU 258 N -2.11 3.31 0.00 1.43 2.56 0.10 -4.84 118.70 119.14 3lig s GLU 258 Ca 0.25 -0.32 0.07 0.00 0.00 0.00 0.00 54.97 54.98 3lig s GLU 258 Cb 0.19 -3.99 -0.04 0.00 2.00 0.00 0.00 34.13 32.29 3lig s GLU 258 CO 0.37 -1.17 0.41 1.19 -0.56 0.00 0.00 175.26 175.50 3lig n PHE 259 N 6.64 0.00 -0.07 5.30 3.72 -1.26 -4.58 117.46 127.22 3lig n PHE 259 Ca -0.00 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.21 3lig n PHE 259 Cb 0.48 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.89 3lig n PHE 259 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3lig h GLN 260 N 0.38 0.05 -5.37 -1.08 5.75 -1.95 -3.47 115.11 109.42 3lig h GLN 260 Ca 0.00 -0.09 -0.64 0.00 -0.15 0.00 0.00 58.65 57.77 3lig h GLN 260 Cb 0.21 0.03 -0.20 0.00 1.07 0.00 0.00 27.48 28.59 3lig h GLN 260 CO 0.00 1.04 -0.65 0.71 -2.65 0.00 0.00 178.83 177.28 3lig s TYR 261 N -2.33 3.06 -0.22 3.99 2.02 -1.26 -4.75 117.35 117.86 3lig s TYR 261 Ca -0.23 -0.20 0.02 0.00 -0.37 0.00 0.00 57.07 56.29 3lig s TYR 261 Cb 0.02 -1.95 0.05 0.00 -0.40 0.00 0.00 41.96 39.67 3lig s TYR 261 CO 0.67 0.04 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.98 3lig s TRP 262 N 0.23 2.92 0.24 2.71 0.52 -1.26 -0.83 118.94 123.47 3lig s TRP 262 Ca -0.01 -1.97 -0.30 0.00 0.02 0.00 0.00 56.10 53.84 3lig s TRP 262 Cb -0.14 -1.85 -0.09 0.00 -1.15 0.00 0.00 33.47 30.24 3lig s TRP 262 CO 0.02 -0.83 1.04 -1.83 0.02 0.00 0.00 176.95 175.37 3lig s GLU 263 N 1.23 4.71 -0.14 4.98 -1.05 0.25 -4.75 118.70 123.93 3lig s GLU 263 Ca -0.03 1.66 -0.28 0.00 -0.15 0.00 0.00 54.97 56.18 3lig s GLU 263 Cb -0.17 -3.24 -0.01 0.00 -0.44 0.00 0.00 34.13 30.26 3lig s GLU 263 CO -0.08 0.30 0.93 -0.47 0.95 0.00 0.00 175.26 176.89 3lig s TYR 264 N -0.97 3.47 -2.55 4.83 5.04 -1.26 -1.72 117.35 124.18 3lig s TYR 264 Ca 0.44 1.44 0.22 0.00 -2.44 0.00 0.00 57.07 56.73 3lig s TYR 264 Cb -0.29 -3.11 0.31 0.00 0.35 0.00 0.00 41.96 39.22 3lig s TYR 264 CO 0.36 -0.23 1.30 1.28 -1.34 0.00 0.00 175.55 176.92 3lig n LEU 265 N 5.13 3.17 0.00 6.97 4.77 0.70 -4.98 117.00 132.75 3lig n LEU 265 Ca 0.07 -1.29 0.00 0.00 -0.03 0.00 0.00 56.01 54.76 3lig n LEU 265 Cb 0.49 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3lig n LEU 265 CO 0.50 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 3lig n GLY 266 N 1.35 -3.33 3.41 -0.72 0.00 -1.21 -0.86 105.19 103.83 3lig n GLY 266 Ca 0.16 -2.02 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 3lig n GLY 266 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3lig n GLU 267 N -0.09 3.29 0.18 1.61 1.02 -1.26 -1.26 120.64 124.12 3lig n GLU 267 Ca 0.00 -3.51 0.10 0.00 -0.02 0.00 0.00 57.16 53.74 3lig n GLU 267 Cb 0.00 -3.23 0.55 0.00 -0.02 0.00 0.00 31.44 28.74 3lig n GLU 267 CO 0.00 0.00 0.00 0.11 1.18 0.00 0.00 177.13 178.42 3lig h TRP 268 N 7.11 0.00 -2.29 -0.32 5.08 -1.71 -3.38 115.95 120.44 3lig h TRP 268 Ca 0.40 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 60.30 3lig h TRP 268 Cb 0.83 0.00 -0.26 0.00 -3.00 0.00 0.00 29.16 26.73 3lig h TRP 268 CO 1.27 0.00 -0.34 -0.46 -1.28 0.00 0.00 178.44 177.63 3lig s TRP 269 N -3.52 -0.93 0.01 0.12 -0.00 -1.25 0.71 118.94 114.08 3lig s TRP 269 Ca -0.02 1.59 -0.01 0.00 -0.00 0.00 0.00 56.10 57.65 3lig s TRP 269 Cb 0.06 0.37 -0.01 0.00 -0.00 0.00 0.00 33.47 33.89 3lig s TRP 269 CO 0.18 -0.56 0.01 1.14 -0.00 0.00 0.00 176.95 177.73 3lig s GLN 270 N 2.67 0.29 0.02 5.86 -2.07 -1.26 -0.75 119.66 124.42 3lig s GLN 270 Ca 0.00 -0.46 0.02 0.00 -1.82 0.00 0.00 55.36 53.11 3lig s GLN 270 Cb -0.13 0.11 -0.02 0.00 -1.09 0.00 0.00 33.01 31.89 3lig s GLN 270 CO -0.15 -0.05 -0.08 -1.21 -1.32 0.00 0.00 175.29 172.48 3lig s GLU 271 N -1.20 0.56 0.52 9.60 0.41 -0.88 -5.02 118.70 122.69 3lig s GLU 271 Ca -0.13 -0.52 -0.22 0.00 -0.41 0.00 0.00 54.97 53.69 3lig s GLU 271 Cb -0.08 -0.46 -0.06 0.00 -1.78 0.00 0.00 34.13 31.76 3lig s GLU 271 CO -0.00 0.11 1.30 0.00 -0.49 0.00 0.00 175.26 176.17 3lig s ALA 272 N -0.76 2.86 -0.47 5.21 0.00 -1.26 -3.07 121.76 124.27 3lig s ALA 272 Ca -0.03 1.21 -0.46 0.00 0.00 0.00 0.00 51.96 52.67 3lig s ALA 272 Cb -0.06 -3.51 -0.20 0.00 0.00 0.00 0.00 23.12 19.35 3lig s ALA 272 CO 0.00 -1.15 1.59 2.41 0.00 0.00 0.00 175.76 178.62 3lig n THR 273 N -0.87 0.02 -2.18 0.00 -1.04 -0.54 -1.00 114.28 108.67 3lig n THR 273 Ca 0.09 -0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.96 3lig n THR 273 Cb 0.46 -0.52 -0.02 0.00 -1.82 0.00 0.00 70.33 68.43 3lig n THR 273 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3lig n ASN 274 N 4.00 -4.08 -2.53 8.00 5.15 0.12 -4.96 115.26 120.97 3lig n ASN 274 Ca 0.30 0.21 -0.08 0.00 -0.60 0.00 0.00 54.58 54.41 3lig n ASN 274 Cb -0.05 -3.52 0.06 0.00 -0.53 0.00 0.00 39.78 35.74 3lig n ASN 274 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3lig n SER 275 N -1.52 -0.08 -3.45 1.20 3.41 -0.17 -4.65 113.62 108.35 3lig n SER 275 Ca -0.16 -1.09 -0.11 0.00 -0.26 0.00 0.00 58.87 57.26 3lig n SER 275 Cb 0.58 -0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 64.24 3lig n SER 275 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3lig s SER 276 N -2.29 -0.49 -0.06 4.04 1.04 -1.26 -1.26 113.70 113.41 3lig s SER 276 Ca 0.20 -0.01 -0.30 0.00 0.48 0.00 0.00 55.95 56.33 3lig s SER 276 Cb -0.01 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 3lig s SER 276 CO 0.14 -0.84 1.33 0.86 0.98 0.00 0.00 173.24 175.71 3lig s TRP 277 N -3.52 2.87 0.00 5.02 -0.11 -1.26 -4.75 118.94 117.19 3lig s TRP 277 Ca 0.03 0.92 0.00 0.00 1.22 0.00 0.00 56.10 58.27 3lig s TRP 277 Cb -0.01 -3.58 0.00 0.00 -1.50 0.00 0.00 33.47 28.38 3lig s TRP 277 CO -0.11 -2.06 0.00 0.41 -4.62 0.00 0.00 176.95 170.57 3lig n GLY 278 N 3.60 -0.73 0.26 5.86 0.00 -1.26 -4.07 105.19 108.85 3lig n GLY 278 Ca 0.13 -1.64 -0.03 0.00 0.00 0.00 0.00 46.02 44.48 3lig n GLY 278 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3lig h ASP 279 N 0.00 0.58 -0.12 1.61 3.32 -1.86 -3.32 116.42 116.63 3lig h ASP 279 Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3lig h ASP 279 Cb 0.00 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.39 3lig h ASP 279 CO 0.00 0.73 0.00 -0.62 -1.72 0.00 0.00 179.24 177.63 3lig n GLU 280 N -4.18 2.34 -3.56 3.56 1.02 -1.26 -4.97 120.64 113.58 3lig n GLU 280 Ca 0.01 -2.34 -0.22 0.00 -0.02 0.00 0.00 57.16 54.59 3lig n GLU 280 Cb 0.34 -1.45 0.08 0.00 -0.02 0.00 0.00 31.44 30.39 3lig n GLU 280 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3lig n GLY 281 N -0.69 -0.48 0.13 0.62 0.00 -1.25 -4.95 105.19 98.57 3lig n GLY 281 Ca 0.13 0.20 -0.22 0.00 0.00 0.00 0.00 46.02 46.14 3lig n GLY 281 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3lig n THR 282 N -4.70 1.69 0.22 2.61 -1.04 -1.26 -4.21 114.28 107.58 3lig n THR 282 Ca -0.09 -0.42 0.09 0.00 -2.04 0.00 0.00 64.05 61.59 3lig n THR 282 Cb 0.60 -1.85 -0.14 0.00 -1.82 0.00 0.00 70.33 67.12 3lig n THR 282 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 3lig n TRP 283 N -3.85 0.00 -2.74 -1.42 7.02 -1.26 -4.67 117.44 110.53 3lig n TRP 283 Ca -0.33 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.10 3lig n TRP 283 Cb 0.91 -0.32 0.04 0.00 -2.42 0.00 0.00 31.31 29.52 3lig n TRP 283 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3lig n ALA 284 N -1.97 3.04 -0.18 6.99 0.00 -1.26 -4.27 120.51 122.86 3lig n ALA 284 Ca -0.02 -2.94 0.00 0.00 0.00 0.00 0.00 53.44 50.49 3lig n ALA 284 Cb 0.44 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.98 3lig n ALA 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3lig n GLY 285 N -0.30 2.23 3.12 0.00 0.00 -1.26 -4.59 105.19 104.39 3lig n GLY 285 Ca 0.08 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 3lig n GLY 285 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3lig s ARG 286 N 0.00 0.70 0.47 1.61 0.52 -1.26 -4.30 118.95 116.69 3lig s ARG 286 Ca 0.00 -1.11 0.27 0.00 -0.52 0.00 0.00 55.73 54.37 3lig s ARG 286 Cb 0.00 -0.19 0.97 0.00 0.52 0.00 0.00 34.95 36.25 3lig s ARG 286 CO 0.00 -0.00 1.84 -1.49 0.02 0.00 0.00 175.30 175.66 3lig h TRP 287 N 3.54 0.00 -0.21 -0.53 -0.00 -1.47 -3.46 115.95 113.83 3lig h TRP 287 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.54 3lig h TRP 287 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.34 3lig h TRP 287 CO 0.61 0.14 0.00 0.41 -0.00 0.00 0.00 178.44 179.59 3lig n GLY 288 N 0.27 0.35 0.00 1.49 0.00 -1.25 -4.25 105.19 101.80 3lig n GLY 288 Ca 0.01 -0.86 0.09 0.00 0.00 0.00 0.00 46.02 45.26 3lig n GLY 288 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3lig n PHE 289 N 0.00 0.00 -3.59 1.61 3.72 0.11 0.16 117.46 119.48 3lig n PHE 289 Ca 0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 3lig n PHE 289 Cb 0.00 -0.08 -0.07 0.00 -0.94 0.00 0.00 39.48 38.39 3lig n PHE 289 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3lig s ASN 290 N -3.07 -0.66 -0.13 4.37 2.47 -1.25 -4.05 114.94 112.63 3lig s ASN 290 Ca 0.04 1.07 -0.07 0.00 0.42 0.00 0.00 52.86 54.32 3lig s ASN 290 Cb 0.14 1.01 -0.04 0.00 -1.45 0.00 0.00 41.25 40.91 3lig s ASN 290 CO 0.79 -0.37 0.14 -0.36 -3.72 0.00 0.00 177.10 173.58 3lig s PHE 291 N -0.27 3.58 0.14 0.43 0.08 0.21 -1.72 117.98 120.43 3lig s PHE 291 Ca -0.04 0.51 0.05 0.00 0.12 0.00 0.00 56.93 57.58 3lig s PHE 291 Cb -0.03 -1.95 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 3lig s PHE 291 CO 0.03 0.70 -0.12 -1.21 -0.10 0.00 0.00 175.22 174.52 3lig s GLU 292 N -0.93 1.06 -0.74 0.44 2.02 0.43 -2.23 118.70 118.76 3lig s GLU 292 Ca 0.14 -1.35 -0.16 0.00 0.02 0.00 0.00 54.97 53.62 3lig s GLU 292 Cb -0.12 -0.81 0.02 0.00 0.10 0.00 0.00 34.13 33.32 3lig s GLU 292 CO 0.04 0.13 0.45 0.25 0.02 0.00 0.00 175.26 176.15 3lig n THR 293 N 0.16 -1.93 -2.65 3.63 -2.24 -1.26 -1.40 114.28 108.58 3lig n THR 293 Ca -0.13 -0.26 -0.39 0.00 -2.27 0.00 0.00 64.05 61.00 3lig n THR 293 Cb 0.59 -1.68 -0.05 0.00 -2.10 0.00 0.00 70.33 67.09 3lig n THR 293 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3lig s GLY 294 N -3.51 3.03 -0.01 3.38 0.00 -1.26 -4.34 107.32 104.60 3lig s GLY 294 Ca 0.22 0.70 0.06 0.00 0.00 0.00 0.00 44.72 45.70 3lig s GLY 294 CO 0.65 1.26 -0.20 -1.31 0.00 0.00 0.00 173.10 173.50 3lig s ASN 295 N -1.17 2.34 -0.12 1.64 -0.87 -0.17 -4.61 114.94 111.97 3lig s ASN 295 Ca 0.45 -0.38 0.02 0.00 -1.57 0.00 0.00 52.86 51.38 3lig s ASN 295 Cb -0.27 -0.25 -0.01 0.00 -0.02 0.00 0.00 41.25 40.71 3lig s ASN 295 CO 0.33 0.23 -0.18 -0.69 -2.57 0.00 0.00 177.10 174.23 3lig s VAL 296 N -0.51 2.55 0.23 1.60 1.01 -1.26 -2.01 120.40 122.02 3lig s VAL 296 Ca 0.08 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.28 3lig s VAL 296 Cb -0.08 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 3lig s VAL 296 CO -0.00 0.54 -0.08 -0.76 0.00 0.00 0.00 175.10 174.80 3lig s LEU 297 N 0.44 2.45 -0.30 3.92 1.02 0.26 -4.95 118.68 121.52 3lig s LEU 297 Ca -0.13 -1.13 -0.03 0.00 0.02 0.00 0.00 54.13 52.87 3lig s LEU 297 Cb -0.17 -0.54 0.10 0.00 0.02 0.00 0.00 46.19 45.61 3lig s LEU 297 CO 0.06 -0.33 0.12 -0.36 0.02 0.00 0.00 176.35 175.86 3lig s PHE 298 N -3.12 0.91 0.12 0.29 0.08 -1.25 -1.37 117.98 113.63 3lig s PHE 298 Ca 0.26 -1.26 0.03 0.00 0.12 0.00 0.00 56.93 56.08 3lig s PHE 298 Cb 0.03 -1.24 -0.04 0.00 -0.57 0.00 0.00 43.02 41.20 3lig s PHE 298 CO 0.08 -0.85 0.17 -0.51 -0.10 0.00 0.00 175.22 174.02 3lig s LEU 299 N 1.86 4.04 0.00 -0.37 1.02 0.28 -0.88 118.68 124.63 3lig s LEU 299 Ca 0.10 0.05 0.02 0.00 0.02 0.00 0.00 54.13 54.32 3lig s LEU 299 Cb -0.17 -2.66 -0.01 0.00 0.02 0.00 0.00 46.19 43.38 3lig s LEU 299 CO -0.31 0.11 0.08 0.35 0.02 0.00 0.00 176.35 176.60 3lig n THR 300 N -0.04 0.00 1.92 5.49 -2.24 0.03 0.91 114.28 120.34 3lig n THR 300 Ca -0.07 -2.19 0.10 0.00 -2.27 0.00 0.00 64.05 59.62 3lig n THR 300 Cb 0.53 0.63 0.60 0.00 -2.10 0.00 0.00 70.33 69.99 3lig n THR 300 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3lig n GLU 301 N -0.98 0.96 0.00 -0.78 1.02 -1.26 -0.30 120.64 119.30 3lig n GLU 301 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 3lig n GLU 301 Cb 0.57 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 3lig n GLU 301 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3lig n GLU 302 N -0.83 2.90 0.00 3.49 4.71 -1.26 -4.72 120.64 124.93 3lig n GLU 302 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.30 3lig n GLU 302 Cb 0.07 -0.96 0.00 0.00 -1.01 0.00 0.00 31.44 29.54 3lig n GLU 302 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3lig n GLY 303 N 2.68 -0.42 3.41 0.62 0.00 -1.22 -4.94 105.19 105.32 3lig n GLY 303 Ca 0.00 0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 3lig n GLY 303 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3lig s HIS 304 N 0.00 2.63 -0.30 1.61 2.46 -0.46 -0.79 115.29 120.43 3lig s HIS 304 Ca 0.00 -0.33 -0.04 0.00 0.47 0.00 0.00 55.06 55.17 3lig s HIS 304 Cb 0.00 -1.63 0.17 0.00 -0.13 0.00 0.00 32.58 30.99 3lig s HIS 304 CO 0.00 0.06 0.61 0.34 -2.47 0.00 0.00 174.74 173.28 3lig s ASP 305 N -0.51 -1.30 0.00 9.88 -1.08 -0.06 -4.42 116.67 119.19 3lig s ASP 305 Ca 0.07 1.08 0.20 0.00 -0.52 0.00 0.00 52.55 53.38 3lig s ASP 305 Cb -0.12 2.20 1.03 0.00 -1.46 0.00 0.00 42.92 44.57 3lig s ASP 305 CO 0.01 -0.25 1.63 -0.81 0.52 0.00 0.00 175.17 176.28 3lig n PRO 306 N 5.44 0.30 -0.14 4.34 -0.04 -1.26 0.18 135.00 143.82 3lig n PRO 306 Ca -0.04 0.09 -0.29 0.00 -0.04 0.00 0.00 63.50 63.22 3lig n PRO 306 Cb 0.50 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 3lig n PRO 306 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3lig n GLN 307 N -1.27 0.59 0.00 0.54 7.27 -1.26 -1.66 117.38 121.58 3lig n GLN 307 Ca 0.10 0.25 0.08 0.00 0.07 0.00 0.00 57.00 57.50 3lig n GLN 307 Cb 0.16 -1.48 -0.08 0.00 2.41 0.00 0.00 30.24 31.25 3lig n GLN 307 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 3lig n THR 308 N -4.18 0.00 -2.59 1.69 -2.24 -1.23 -4.79 114.28 100.95 3lig n THR 308 Ca -0.54 -0.15 -0.33 0.00 -2.27 0.00 0.00 64.05 60.76 3lig n THR 308 Cb 0.89 1.05 -0.04 0.00 -2.10 0.00 0.00 70.33 70.13 3lig n THR 308 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3lig s GLY 309 N -2.49 2.35 0.28 3.38 0.00 0.13 -4.86 107.32 106.11 3lig s GLY 309 Ca 0.08 0.43 -0.22 0.00 0.00 0.00 0.00 44.72 45.02 3lig s GLY 309 CO 0.64 0.73 0.82 1.85 0.00 0.00 0.00 173.10 177.14 3lig s GLU 310 N -3.43 4.36 0.00 2.90 2.12 0.26 -4.47 118.70 120.44 3lig s GLU 310 Ca 0.63 1.04 -0.30 0.00 0.36 0.00 0.00 54.97 56.70 3lig s GLU 310 Cb -0.12 -2.78 -0.06 0.00 0.26 0.00 0.00 34.13 31.43 3lig s GLU 310 CO 0.21 0.31 1.41 0.08 -0.54 0.00 0.00 175.26 176.73 3lig s VAL 311 N -1.62 3.69 0.09 3.70 1.01 -1.26 -0.56 120.40 125.45 3lig s VAL 311 Ca 0.47 1.07 0.05 0.00 0.00 0.00 0.00 61.98 63.57 3lig s VAL 311 Cb -0.17 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 3lig s VAL 311 CO 0.21 -0.00 -0.13 -0.36 0.00 0.00 0.00 175.10 174.82 3lig s PHE 312 N 2.43 1.22 -0.02 5.22 0.08 -0.47 -1.76 117.98 124.68 3lig s PHE 312 Ca 0.64 -0.53 -0.00 0.00 0.12 0.00 0.00 56.93 57.17 3lig s PHE 312 Cb -0.32 -0.67 0.03 0.00 -0.57 0.00 0.00 43.02 41.49 3lig s PHE 312 CO 0.27 0.07 0.03 0.08 -0.10 0.00 0.00 175.22 175.56 3lig s VAL 313 N -1.74 -0.06 0.10 -0.44 1.01 0.68 -0.58 120.40 119.37 3lig s VAL 313 Ca 0.02 0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.25 3lig s VAL 313 Cb -0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.19 3lig s VAL 313 CO 0.02 0.08 0.02 0.42 0.00 0.00 0.00 175.10 175.64 3lig s THR 314 N 1.00 4.07 -0.02 3.92 -4.23 -0.85 -0.27 115.64 119.25 3lig s THR 314 Ca -0.08 -1.02 -0.29 0.00 -1.18 0.00 0.00 61.69 59.12 3lig s THR 314 Cb -0.12 -2.96 0.10 0.00 1.34 0.00 0.00 72.50 70.86 3lig s THR 314 CO -0.03 0.08 0.89 -1.48 -0.54 0.00 0.00 174.62 173.55 3lig s LEU 315 N -2.44 -0.37 0.01 4.79 2.34 -0.31 -1.00 118.68 121.70 3lig s LEU 315 Ca 0.27 0.07 -0.00 0.00 0.06 0.00 0.00 54.13 54.52 3lig s LEU 315 Cb -0.11 2.02 -0.04 0.00 -0.56 0.00 0.00 46.19 47.50 3lig s LEU 315 CO 0.19 -0.59 0.10 -0.83 -1.06 0.00 0.00 176.35 174.16 3lig s GLY 316 N -2.28 2.05 -0.04 -3.48 0.00 -0.49 -0.85 107.32 102.23 3lig s GLY 316 Ca 0.04 -0.87 0.04 0.00 0.00 0.00 0.00 44.72 43.93 3lig s GLY 316 CO -0.07 -0.77 -0.17 -0.51 0.00 0.00 0.00 173.10 171.58 3lig s THR 317 N -1.25 1.42 -0.22 0.90 -4.23 -0.30 -0.43 115.64 111.53 3lig s THR 317 Ca 0.25 -0.71 -0.17 0.00 -1.18 0.00 0.00 61.69 59.88 3lig s THR 317 Cb -0.12 -1.22 -0.03 0.00 1.34 0.00 0.00 72.50 72.46 3lig s THR 317 CO 0.16 0.41 0.47 -1.61 -0.54 0.00 0.00 174.62 173.52 3lig s GLU 318 N 0.06 4.15 0.44 3.99 2.02 -0.70 -1.78 118.70 126.88 3lig s GLU 318 Ca -0.04 0.31 0.04 0.00 0.02 0.00 0.00 54.97 55.29 3lig s GLU 318 Cb -0.12 -3.58 -0.05 0.00 0.10 0.00 0.00 34.13 30.49 3lig s GLU 318 CO 0.02 -0.17 0.02 0.20 0.02 0.00 0.00 175.26 175.35 3lig s GLY 319 N 1.24 2.69 -0.12 -1.39 0.00 0.13 -0.71 107.32 109.17 3lig s GLY 319 Ca 0.21 -1.38 -0.30 0.00 0.00 0.00 0.00 44.72 43.25 3lig s GLY 319 CO 0.09 -2.09 0.95 -0.45 0.00 0.00 0.00 173.10 171.60 3lig s SER 320 N -3.75 -0.40 0.78 1.64 0.15 -1.26 -1.51 113.70 109.35 3lig s SER 320 Ca 0.22 0.35 -0.05 0.00 0.70 0.00 0.00 55.95 57.18 3lig s SER 320 Cb 0.06 0.34 0.12 0.00 -1.71 0.00 0.00 66.02 64.83 3lig s SER 320 CO 0.11 -0.42 0.77 0.61 1.20 0.00 0.00 173.24 175.51 3lig n GLY 321 N 0.55 -0.17 3.21 9.45 0.00 -1.26 -5.00 105.19 111.97 3lig n GLY 321 Ca -0.11 -1.88 -0.28 0.00 0.00 0.00 0.00 46.02 43.75 3lig n GLY 321 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3lig s LEU 322 N 0.00 2.01 0.49 0.99 1.43 -1.26 -3.28 118.68 119.07 3lig s LEU 322 Ca 0.47 -0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 52.95 3lig s LEU 322 Cb -0.02 -1.13 -0.07 0.00 0.03 0.00 0.00 46.19 45.00 3lig s LEU 322 CO 0.32 0.23 1.16 -2.16 0.23 0.00 0.00 176.35 176.13 3lig s PRO 323 N -0.26 3.59 0.30 1.29 0.04 -1.26 -5.13 135.00 133.59 3lig s PRO 323 Ca 0.02 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 62.50 3lig s PRO 323 Cb -0.11 -2.26 -0.10 0.00 0.04 0.00 0.00 34.50 32.08 3lig s PRO 323 CO 0.01 -0.68 1.16 0.42 0.04 0.00 0.00 177.00 177.96 3lig s ILE 324 N -1.62 3.24 -0.44 0.56 1.01 -1.20 -5.00 121.20 117.75 3lig s ILE 324 Ca 0.67 1.24 -0.09 0.00 0.00 0.00 0.00 60.65 62.47 3lig s ILE 324 Cb -0.27 -3.78 0.10 0.00 0.01 0.00 0.00 42.46 38.51 3lig s ILE 324 CO 0.32 0.28 0.29 -0.69 0.00 0.00 0.00 174.94 175.15 3lig s VAL 325 N -1.18 4.21 0.15 2.92 1.01 -1.26 -5.06 120.40 121.19 3lig s VAL 325 Ca 0.47 -1.56 -0.32 0.00 0.00 0.00 0.00 61.98 60.56 3lig s VAL 325 Cb -0.34 -3.66 -0.17 0.00 0.00 0.00 0.00 36.38 32.21 3lig s VAL 325 CO 0.44 -0.62 0.86 -2.65 0.00 0.00 0.00 175.10 173.13 3lig n PRO 326 N 4.91 0.38 -1.11 2.72 -0.02 -1.26 -1.52 135.00 139.10 3lig n PRO 326 Ca -0.09 0.14 -0.04 0.00 -2.02 0.00 0.00 63.50 61.49 3lig n PRO 326 Cb 0.42 -1.41 -0.02 0.00 -0.02 0.00 0.00 33.50 32.47 3lig n PRO 326 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3lig n GLN 327 N 1.28 -0.61 -3.89 -0.52 6.02 -1.26 -5.01 117.38 113.39 3lig n GLN 327 Ca 0.17 0.48 -0.28 0.00 -0.01 0.00 0.00 57.00 57.36 3lig n GLN 327 Cb 0.21 -4.16 -0.17 0.00 1.02 0.00 0.00 30.24 27.15 3lig n GLN 327 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3lig s VAL 328 N -1.97 1.07 -0.40 5.09 1.01 -0.58 -5.09 120.40 119.54 3lig s VAL 328 Ca 0.00 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.30 3lig s VAL 328 Cb 0.00 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.18 3lig s VAL 328 CO 0.00 0.18 0.28 -0.44 0.00 0.00 0.00 175.10 175.12 3lig s SER 329 N 1.66 6.07 0.38 3.32 0.01 -1.26 -4.61 113.70 119.27 3lig s SER 329 Ca 0.02 -0.83 0.24 0.00 1.31 0.00 0.00 55.95 56.69 3lig s SER 329 Cb -0.15 -2.14 0.44 0.00 0.21 0.00 0.00 66.02 64.37 3lig s SER 329 CO -0.08 -0.41 1.63 0.77 0.41 0.00 0.00 173.24 175.56 3lig h SER 330 N 8.59 0.00 -3.30 2.44 4.64 -1.67 -3.44 113.55 120.81 3lig h SER 330 Ca -0.28 -0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.51 3lig h SER 330 Cb 1.13 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.87 3lig h SER 330 CO 0.71 0.00 -0.82 -0.63 -0.87 0.00 0.00 176.83 175.22 3lig s ILE 331 N -3.19 1.18 -0.47 0.95 -1.09 -0.87 -4.96 121.20 112.74 3lig s ILE 331 Ca 0.08 -0.45 0.03 0.00 -2.23 0.00 0.00 60.65 58.08 3lig s ILE 331 Cb 0.07 -1.12 0.12 0.00 -1.58 0.00 0.00 42.46 39.95 3lig s ILE 331 CO 0.66 0.38 0.21 -1.00 -1.23 0.00 0.00 174.94 173.95 3lig s HIS 332 N 1.09 3.38 -0.07 3.97 3.76 -1.26 0.19 115.29 126.36 3lig s HIS 332 Ca -0.06 -3.08 -0.21 0.00 -0.15 0.00 0.00 55.06 51.56 3lig s HIS 332 Cb -0.14 -2.89 -0.04 0.00 1.11 0.00 0.00 32.58 30.61 3lig s HIS 332 CO -0.02 -0.81 0.61 -0.51 -0.85 0.00 0.00 174.74 173.15 3lig s ASP 333 N 0.18 6.89 -0.86 1.40 1.01 -0.73 -4.81 116.67 119.75 3lig s ASP 333 Ca 0.15 1.06 -0.13 0.00 0.71 0.00 0.00 52.55 54.34 3lig s ASP 333 Cb -0.23 -2.36 0.23 0.00 1.01 0.00 0.00 42.92 41.56 3lig s ASP 333 CO -0.03 -0.03 0.80 -0.32 0.21 0.00 0.00 175.17 175.80 3lig s MET 334 N 0.52 3.65 0.55 8.23 1.75 -1.26 -1.15 119.30 131.58 3lig s MET 334 Ca 0.32 -2.57 0.07 0.00 -1.25 0.00 0.00 55.69 52.27 3lig s MET 334 Cb -0.17 -4.42 0.07 0.00 2.84 0.00 0.00 34.83 33.15 3lig s MET 334 CO 0.15 -1.28 0.75 -0.51 -0.65 0.00 0.00 175.02 173.49 3lig s LEU 335 N -0.03 3.26 0.02 4.11 1.43 -0.03 -0.31 118.68 127.13 3lig s LEU 335 Ca 0.20 -0.58 -0.17 0.00 -1.03 0.00 0.00 54.13 52.54 3lig s LEU 335 Cb -0.10 -2.09 0.03 0.00 0.03 0.00 0.00 46.19 44.06 3lig s LEU 335 CO -0.09 -1.23 0.38 -1.66 0.23 0.00 0.00 176.35 173.99 3lig s TRP 336 N -2.65 -0.24 -0.01 0.29 1.48 -0.52 -1.16 118.94 116.14 3lig s TRP 336 Ca 0.60 0.24 -0.06 0.00 -1.06 0.00 0.00 56.10 55.82 3lig s TRP 336 Cb -0.07 0.17 0.00 0.00 -1.16 0.00 0.00 33.47 32.41 3lig s TRP 336 CO 0.38 -0.51 0.12 0.00 -4.06 0.00 0.00 176.95 172.88 3lig s ALA 337 N -2.11 -0.29 0.10 2.67 0.00 0.62 -1.23 121.76 121.52 3lig s ALA 337 Ca -0.08 -0.04 0.07 0.00 0.00 0.00 0.00 51.96 51.92 3lig s ALA 337 Cb -0.02 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 3lig s ALA 337 CO -0.00 -0.17 -0.19 0.00 0.00 0.00 0.00 175.76 175.41 3lig s ALA 338 N -1.00 1.64 0.00 0.00 0.00 -0.24 -0.23 121.76 121.92 3lig s ALA 338 Ca -0.11 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.65 3lig s ALA 338 Cb -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.86 3lig s ALA 338 CO 0.01 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.47 3lig n GLY 339 N 1.07 0.95 3.22 0.00 0.00 -0.72 -0.60 105.19 109.11 3lig n GLY 339 Ca -0.19 -0.30 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 3lig n GLY 339 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lig s GLU 340 N 1.87 0.96 -0.08 1.61 8.01 -1.00 -4.08 118.70 126.00 3lig s GLU 340 Ca 0.00 -1.24 0.02 0.00 0.01 0.00 0.00 54.97 53.76 3lig s GLU 340 Cb 0.00 -0.71 -0.02 0.00 -4.31 0.00 0.00 34.13 29.08 3lig s GLU 340 CO 0.00 0.12 -0.13 0.08 0.01 0.00 0.00 175.26 175.34 3lig s VAL 341 N -2.45 3.13 0.25 2.63 1.01 -1.26 -1.46 120.40 122.25 3lig s VAL 341 Ca 0.09 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3lig s VAL 341 Cb -0.03 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 3lig s VAL 341 CO 0.01 0.57 0.14 -0.83 0.00 0.00 0.00 175.10 175.00 3lig s GLY 342 N -0.42 1.72 0.70 4.51 0.00 -0.82 -4.98 107.32 108.04 3lig s GLY 342 Ca 0.05 -1.79 -0.12 0.00 0.00 0.00 0.00 44.72 42.86 3lig s GLY 342 CO 0.02 -1.49 1.07 -1.34 0.00 0.00 0.00 173.10 171.37 3lig s VAL 343 N -3.89 3.74 -0.54 1.40 -7.23 -1.26 -0.96 120.40 111.65 3lig s VAL 343 Ca 0.38 0.62 -0.07 0.00 -1.81 0.00 0.00 61.98 61.10 3lig s VAL 343 Cb 0.06 -3.24 -0.20 0.00 0.56 0.00 0.00 36.38 33.57 3lig s VAL 343 CO 0.15 -0.68 3.30 0.61 -0.31 0.00 0.00 175.10 178.17 3lig n GLY 344 N -1.49 3.35 7.00 2.32 0.00 -0.15 -4.57 105.19 111.65 3lig n GLY 344 Ca 0.08 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.84 3lig n GLY 344 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3lig n SER 345 N 2.90 0.00 -3.31 1.61 2.88 -1.26 -4.00 113.62 112.44 3lig n SER 345 Ca 0.53 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.81 3lig n SER 345 Cb 0.66 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.04 3lig n SER 345 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3lig n GLU 346 N 14.00 2.16 -4.03 -1.46 1.02 -1.26 -5.06 120.64 126.01 3lig n GLU 346 Ca 0.00 -4.33 -0.14 0.00 -0.02 0.00 0.00 57.16 52.67 3lig n GLU 346 Cb 0.00 -2.01 -0.02 0.00 -0.02 0.00 0.00 31.44 29.39 3lig n GLU 346 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 3lig s GLN 347 N -2.30 2.04 -0.37 3.49 1.03 -1.26 -5.05 119.66 117.25 3lig s GLN 347 Ca 0.40 -1.74 0.05 0.00 0.04 0.00 0.00 55.36 54.12 3lig s GLN 347 Cb 0.18 0.49 0.46 0.00 0.03 0.00 0.00 33.01 34.16 3lig s GLN 347 CO -0.05 -0.88 1.40 -1.91 -2.54 0.00 0.00 175.29 171.31 3lig n GLU 348 N -0.58 3.23 0.00 9.60 0.00 -1.26 -4.95 120.64 126.67 3lig n GLU 348 Ca -0.01 -3.88 0.00 0.00 0.00 0.00 0.00 57.16 53.27 3lig n GLU 348 Cb 0.61 -2.23 0.00 0.00 0.00 0.00 0.00 31.44 29.82 3lig n GLU 348 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3lig n GLY 349 N -0.80 0.95 3.77 8.31 0.00 -1.26 -5.06 105.19 111.10 3lig n GLY 349 Ca 0.47 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.11 3lig n GLY 349 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lig s ALA 350 N -2.71 3.04 -0.03 4.61 0.00 -1.26 -4.81 121.76 120.60 3lig s ALA 350 Ca 0.00 1.08 0.20 0.00 0.00 0.00 0.00 51.96 53.24 3lig s ALA 350 Cb 0.00 -3.44 0.51 0.00 0.00 0.00 0.00 23.12 20.19 3lig s ALA 350 CO 0.00 -0.80 1.65 0.87 0.00 0.00 0.00 175.76 177.48 3lig h LYS 351 N 2.18 0.00 -3.39 0.00 1.57 -1.35 -3.31 116.57 112.27 3lig h LYS 351 Ca -0.50 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.14 3lig h LYS 351 Cb 1.25 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.36 3lig h LYS 351 CO 0.61 0.33 -0.44 0.14 -0.57 0.00 0.00 179.45 179.51 3lig s VAL 352 N -3.33 0.07 0.02 0.50 -7.23 -1.26 -0.97 120.40 108.19 3lig s VAL 352 Ca 0.02 -0.61 0.02 0.00 -1.81 0.00 0.00 61.98 59.60 3lig s VAL 352 Cb 0.09 -0.47 -0.01 0.00 0.56 0.00 0.00 36.38 36.55 3lig s VAL 352 CO 0.69 -0.34 -0.06 -1.61 -0.31 0.00 0.00 175.10 173.47 3lig s GLU 353 N -1.30 0.44 -0.17 4.82 2.02 -0.14 -4.18 118.70 120.19 3lig s GLU 353 Ca -0.14 -0.45 -0.13 0.00 0.02 0.00 0.00 54.97 54.28 3lig s GLU 353 Cb -0.07 -0.32 -0.05 0.00 0.10 0.00 0.00 34.13 33.80 3lig s GLU 353 CO 0.02 0.07 0.27 0.12 0.02 0.00 0.00 175.26 175.76 3lig s PHE 354 N -0.72 3.45 -0.29 1.61 5.36 0.22 -1.94 117.98 125.67 3lig s PHE 354 Ca -0.04 0.55 0.03 0.00 -0.96 0.00 0.00 56.93 56.50 3lig s PHE 354 Cb -0.06 -2.31 0.08 0.00 -0.34 0.00 0.00 43.02 40.38 3lig s PHE 354 CO 0.00 0.24 -0.04 -1.12 -1.46 0.00 0.00 175.22 172.84 3lig s SER 355 N 0.47 4.45 0.54 6.13 0.01 -0.53 -4.75 113.70 120.02 3lig s SER 355 Ca 0.15 -1.63 -0.22 0.00 1.31 0.00 0.00 55.95 55.56 3lig s SER 355 Cb -0.13 -1.49 -0.05 0.00 0.21 0.00 0.00 66.02 64.56 3lig s SER 355 CO 0.03 -0.27 1.33 -2.84 0.41 0.00 0.00 173.24 171.90 3lig s PRO 356 N 1.10 3.19 0.00 12.44 0.02 -1.26 -2.38 135.00 148.11 3lig s PRO 356 Ca -0.01 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.18 3lig s PRO 356 Cb -0.19 -2.26 0.00 0.00 0.02 0.00 0.00 34.50 32.07 3lig s PRO 356 CO -0.07 -1.13 0.00 -1.13 -0.33 0.00 0.00 177.00 174.34 3lig n SER 357 N -1.00 4.50 -3.51 2.53 3.41 0.23 -4.92 113.62 114.86 3lig n SER 357 Ca 0.10 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.57 3lig n SER 357 Cb 0.46 0.88 -0.05 0.00 -0.26 0.00 0.00 64.21 65.24 3lig n SER 357 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3lig s MET 358 N -1.80 1.00 0.13 4.33 0.23 -1.13 -4.90 119.30 117.17 3lig s MET 358 Ca 0.00 0.04 -0.16 0.00 -1.03 0.00 0.00 55.69 54.55 3lig s MET 358 Cb 0.00 0.47 0.03 0.00 -1.53 0.00 0.00 34.83 33.80 3lig s MET 358 CO 0.00 -0.35 0.40 0.00 -2.03 0.00 0.00 175.02 173.03 3lig s ALA 359 N -1.87 -0.86 0.00 3.16 0.00 -1.15 -1.08 121.76 119.96 3lig s ALA 359 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.78 3lig s ALA 359 Cb -0.00 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.82 3lig s ALA 359 CO 0.02 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 175.54 3lig n GLY 360 N -0.23 2.32 3.51 0.00 0.00 -0.37 -3.49 105.19 106.93 3lig n GLY 360 Ca -0.15 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 3lig n GLY 360 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3lig s PHE 361 N -2.08 2.82 0.09 1.61 0.08 -1.26 -1.43 117.98 117.80 3lig s PHE 361 Ca 0.00 -0.15 0.02 0.00 0.12 0.00 0.00 56.93 56.92 3lig s PHE 361 Cb 0.00 -1.70 -0.25 0.00 -0.57 0.00 0.00 43.02 40.51 3lig s PHE 361 CO 0.00 0.19 1.17 1.25 -0.10 0.00 0.00 175.22 177.73 3lig h LEU 362 N 5.51 0.20 -7.10 -0.37 5.85 -0.89 -3.45 115.31 115.06 3lig h LEU 362 Ca -0.44 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.00 3lig h LEU 362 Cb 1.17 -0.07 -0.24 0.00 0.37 0.00 0.00 40.66 41.89 3lig h LEU 362 CO 0.52 1.18 -0.22 -0.62 -0.34 0.00 0.00 178.44 178.96 3lig s ASP 363 N -6.89 -0.65 0.00 1.25 2.15 -1.22 -4.44 116.67 106.88 3lig s ASP 363 Ca -0.02 1.18 0.30 0.00 0.43 0.00 0.00 52.55 54.44 3lig s ASP 363 Cb 0.08 1.34 1.71 0.00 -0.30 0.00 0.00 42.92 45.75 3lig s ASP 363 CO 0.85 -0.22 2.12 0.79 -0.17 0.00 0.00 175.17 178.54 3lig n TRP 364 N 4.80 0.00 -1.85 -5.34 7.02 0.00 -4.35 117.44 117.71 3lig n TRP 364 Ca -0.16 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.90 3lig n TRP 364 Cb 0.53 -0.11 -0.02 0.00 -2.42 0.00 0.00 31.31 29.29 3lig n TRP 364 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 3lig s GLY 365 N -2.22 2.07 0.20 6.99 0.00 -1.26 -4.67 107.32 108.43 3lig s GLY 365 Ca 0.39 1.49 -0.10 0.00 0.00 0.00 0.00 44.72 46.49 3lig s GLY 365 CO 0.39 2.50 1.72 -2.75 0.00 0.00 0.00 173.10 174.96 3lig h PHE 366 N 5.19 0.23 -0.17 1.90 3.57 -1.91 -1.60 116.94 124.16 3lig h PHE 366 Ca -0.46 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.07 3lig h PHE 366 Cb 1.22 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.94 3lig h PHE 366 CO 0.60 0.00 0.00 0.43 -2.23 0.00 0.00 178.31 177.11 3lig n SER 367 N -5.10 1.52 -4.75 0.41 7.64 -1.26 -4.68 113.62 107.40 3lig n SER 367 Ca 0.08 -1.71 -0.39 0.00 1.01 0.00 0.00 58.87 57.86 3lig n SER 367 Cb 0.29 -0.11 -0.06 0.00 -1.01 0.00 0.00 64.21 63.33 3lig n SER 367 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3lig s ALA 368 N -1.79 3.49 0.05 -0.43 0.00 -0.60 -1.44 121.76 121.04 3lig s ALA 368 Ca 0.31 -0.04 -0.17 0.00 0.00 0.00 0.00 51.96 52.05 3lig s ALA 368 Cb 0.16 -2.70 0.06 0.00 0.00 0.00 0.00 23.12 20.64 3lig s ALA 368 CO 0.25 0.13 0.81 0.98 0.00 0.00 0.00 175.76 177.92 3lig n TYR 369 N 2.98 -0.67 -4.37 0.00 4.19 0.61 -4.29 117.16 115.61 3lig n TYR 369 Ca -0.07 -0.67 -0.38 0.00 3.31 0.00 0.00 57.90 60.09 3lig n TYR 369 Cb 0.51 0.32 -0.06 0.00 0.49 0.00 0.00 39.34 40.60 3lig n TYR 369 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3lig n ALA 370 N -1.52 -1.33 -1.73 2.98 0.00 -1.26 -0.33 120.51 117.32 3lig n ALA 370 Ca -0.09 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.79 3lig n ALA 370 Cb 0.40 -2.76 -0.02 0.00 0.00 0.00 0.00 19.45 17.08 3lig n ALA 370 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lig n ALA 371 N -4.26 2.27 -3.90 0.00 0.00 -1.26 -4.17 120.51 109.20 3lig n ALA 371 Ca 0.05 0.38 -0.27 0.00 0.00 0.00 0.00 53.44 53.60 3lig n ALA 371 Cb 0.50 -2.43 -0.17 0.00 0.00 0.00 0.00 19.45 17.35 3lig n ALA 371 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lig s ALA 372 N -0.07 1.32 0.32 0.00 0.00 -0.44 -4.82 121.76 118.07 3lig s ALA 372 Ca 0.64 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 52.07 3lig s ALA 372 Cb -0.52 -0.91 -0.00 0.00 0.00 0.00 0.00 23.12 21.69 3lig s ALA 372 CO 0.49 -0.41 0.03 0.41 0.00 0.00 0.00 175.76 176.28 3lig n GLY 373 N 4.94 3.71 3.52 0.00 0.00 -1.26 -1.49 105.19 114.60 3lig n GLY 373 Ca -0.12 -2.25 -0.10 0.00 0.00 0.00 0.00 46.02 43.55 3lig n GLY 373 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3lig s LYS 374 N -3.17 0.82 0.33 1.61 2.47 -0.43 -4.84 119.74 116.52 3lig s LYS 374 Ca 0.04 -0.14 -0.28 0.00 -1.56 0.00 0.00 55.97 54.02 3lig s LYS 374 Cb 0.00 0.38 -0.09 0.00 -1.46 0.00 0.00 37.83 36.66 3lig s LYS 374 CO 0.03 -0.32 1.16 0.08 0.16 0.00 0.00 175.35 176.45 3lig s VAL 375 N -2.45 3.25 -0.40 4.02 1.01 -1.26 -1.96 120.40 122.61 3lig s VAL 375 Ca 0.01 1.19 0.03 0.00 0.00 0.00 0.00 61.98 63.22 3lig s VAL 375 Cb -0.01 -3.73 0.11 0.00 0.00 0.00 0.00 36.38 32.75 3lig s VAL 375 CO -0.05 0.23 0.14 -0.22 0.00 0.00 0.00 175.10 175.21 3lig s LEU 376 N -1.83 4.00 0.45 3.92 2.96 0.62 -4.65 118.68 124.14 3lig s LEU 376 Ca 0.49 -2.39 -0.24 0.00 -0.22 0.00 0.00 54.13 51.77 3lig s LEU 376 Cb -0.33 -1.44 -0.09 0.00 0.50 0.00 0.00 46.19 44.82 3lig s LEU 376 CO 0.42 -0.33 1.06 -2.65 -1.32 0.00 0.00 176.35 173.53 3lig n PRO 377 N 3.91 1.40 0.31 0.98 -0.02 -1.26 -1.56 135.00 138.76 3lig n PRO 377 Ca 0.04 0.51 0.20 0.00 -2.02 0.00 0.00 63.50 62.22 3lig n PRO 377 Cb 0.38 -2.14 0.98 0.00 -0.02 0.00 0.00 33.50 32.71 3lig n PRO 377 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3lig h ALA 378 N 1.49 1.05 -0.00 3.55 0.00 -1.85 -0.74 119.26 122.75 3lig h ALA 378 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3lig h ALA 378 Cb 1.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3lig h ALA 378 CO 0.56 0.02 -0.05 -1.13 0.00 0.00 0.00 179.25 178.65 3lig n SER 379 N -3.17 0.29 -4.72 0.00 3.41 -1.26 -3.87 113.62 104.29 3lig n SER 379 Ca -0.02 -0.59 -0.32 0.00 -0.26 0.00 0.00 58.87 57.69 3lig n SER 379 Cb 0.17 -0.12 0.12 0.00 -0.26 0.00 0.00 64.21 64.12 3lig n SER 379 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3lig s SER 380 N -2.38 3.86 0.36 4.04 1.04 -0.29 -4.80 113.70 115.53 3lig s SER 380 Ca 0.33 2.06 0.05 0.00 0.48 0.00 0.00 55.95 58.88 3lig s SER 380 Cb 0.21 -2.55 0.69 0.00 0.10 0.00 0.00 66.02 64.46 3lig s SER 380 CO 0.44 -2.47 1.95 0.00 0.98 0.00 0.00 173.24 174.13 3lig h ALA 381 N -1.22 1.50 0.31 5.32 0.00 -0.66 -1.33 119.26 123.18 3lig h ALA 381 Ca -0.44 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 3lig h ALA 381 Cb 1.26 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3lig h ALA 381 CO 0.47 0.38 -0.15 0.28 0.00 0.00 0.00 179.25 180.23 3lig h VAL 382 N 0.55 0.71 -0.36 0.00 2.07 -1.69 -2.46 116.25 115.07 3lig h VAL 382 Ca 0.13 -0.38 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 3lig h VAL 382 Cb 0.17 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3lig h VAL 382 CO -0.01 0.08 -0.10 0.28 0.02 0.00 0.00 177.57 177.84 3lig h SER 383 N -0.63 0.60 -0.62 0.57 0.02 -1.76 -2.19 113.55 109.53 3lig h SER 383 Ca -0.04 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.68 3lig h SER 383 Cb 0.45 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 3lig h SER 383 CO 0.07 0.74 0.13 0.11 -1.14 0.00 0.00 176.83 176.74 3lig h LYS 384 N 0.57 1.04 -0.33 3.45 1.57 -1.26 0.30 116.57 121.90 3lig h LYS 384 Ca 0.11 -0.25 -0.15 0.00 -1.87 0.00 0.00 60.65 58.49 3lig h LYS 384 Cb 0.51 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 3lig h LYS 384 CO 0.03 0.94 -0.36 1.15 -0.57 0.00 0.00 179.45 180.64 3lig h THR 385 N 0.98 1.28 -0.00 -0.16 2.02 -1.17 -3.10 112.91 112.76 3lig h THR 385 Ca 0.20 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.85 3lig h THR 385 Cb 0.39 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 3lig h THR 385 CO 0.01 0.50 -0.25 -1.54 0.37 0.00 0.00 175.52 174.61 3lig n SER 386 N -4.14 0.64 -0.78 4.18 3.41 -0.85 -4.96 113.62 111.11 3lig n SER 386 Ca -0.03 -0.52 -0.06 0.00 -0.26 0.00 0.00 58.87 58.00 3lig n SER 386 Cb 0.52 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 3lig n SER 386 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3lig n GLY 387 N 1.37 0.20 3.67 5.00 0.00 0.81 -5.02 105.19 111.22 3lig n GLY 387 Ca 0.11 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 3lig n GLY 387 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lig s VAL 388 N -2.43 4.95 -2.51 1.61 1.01 0.21 -4.95 120.40 118.29 3lig s VAL 388 Ca 0.03 1.43 0.24 0.00 0.00 0.00 0.00 61.98 63.67 3lig s VAL 388 Cb -0.01 -4.05 0.42 0.00 0.00 0.00 0.00 36.38 32.74 3lig s VAL 388 CO 0.03 0.08 1.50 -0.62 0.00 0.00 0.00 175.10 176.09 3lig n GLU 389 N 5.03 2.03 -4.42 2.72 -0.58 -1.26 -4.62 120.64 119.54 3lig n GLU 389 Ca 0.02 -1.52 -0.22 0.00 -0.42 0.00 0.00 57.16 55.01 3lig n GLU 389 Cb 0.49 -1.46 -0.10 0.00 -0.57 0.00 0.00 31.44 29.81 3lig n GLU 389 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3lig s VAL 390 N -1.80 2.19 0.35 2.62 -7.23 -1.26 -4.87 120.40 110.40 3lig s VAL 390 Ca 0.34 -2.27 -0.25 0.00 -1.81 0.00 0.00 61.98 57.98 3lig s VAL 390 Cb 0.20 -2.17 -0.10 0.00 0.56 0.00 0.00 36.38 34.87 3lig s VAL 390 CO 0.30 -0.42 0.97 -1.81 -0.31 0.00 0.00 175.10 173.83 3lig s ASP 391 N -3.30 7.18 0.33 4.85 1.01 -1.26 -3.88 116.67 121.59 3lig s ASP 391 Ca 0.26 1.89 0.05 0.00 0.71 0.00 0.00 52.55 55.45 3lig s ASP 391 Cb -0.04 -2.58 -0.07 0.00 1.01 0.00 0.00 42.92 41.24 3lig s ASP 391 CO 0.11 -0.19 0.04 -0.13 0.21 0.00 0.00 175.17 175.21 3lig s ARG 392 N -2.21 1.68 -0.25 8.23 0.52 -0.60 -1.36 118.95 124.95 3lig s ARG 392 Ca 0.53 -1.92 0.02 0.00 -0.52 0.00 0.00 55.73 53.83 3lig s ARG 392 Cb -0.19 -1.00 0.06 0.00 0.52 0.00 0.00 34.95 34.34 3lig s ARG 392 CO 0.24 -0.14 -0.06 -0.47 0.02 0.00 0.00 175.30 174.89 3lig s TYR 393 N -3.18 2.79 -0.21 -0.53 5.04 -1.26 -0.28 117.35 119.72 3lig s TYR 393 Ca 0.35 -2.06 -0.10 0.00 -2.44 0.00 0.00 57.07 52.82 3lig s TYR 393 Cb 0.08 -1.82 -0.05 0.00 0.35 0.00 0.00 41.96 40.52 3lig s TYR 393 CO 0.15 -0.83 0.14 0.08 -1.34 0.00 0.00 175.55 173.75 3lig s VAL 394 N 1.26 5.39 -0.07 3.14 1.01 -0.83 -1.49 120.40 128.82 3lig s VAL 394 Ca -0.05 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.16 3lig s VAL 394 Cb -0.19 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 3lig s VAL 394 CO -0.07 0.42 -0.20 -0.55 0.00 0.00 0.00 175.10 174.70 3lig s SER 395 N 0.54 3.50 -0.28 3.32 0.15 0.59 -1.32 113.70 120.20 3lig s SER 395 Ca 0.08 -0.40 -0.05 0.00 0.70 0.00 0.00 55.95 56.28 3lig s SER 395 Cb -0.12 -1.05 0.02 0.00 -1.71 0.00 0.00 66.02 63.16 3lig s SER 395 CO -0.00 0.24 0.03 -0.36 1.20 0.00 0.00 173.24 174.35 3lig s PHE 396 N -0.14 3.12 0.10 3.44 0.08 -0.56 -1.35 117.98 122.67 3lig s PHE 396 Ca -0.03 -1.19 -0.12 0.00 0.12 0.00 0.00 56.93 55.71 3lig s PHE 396 Cb -0.14 -2.18 -0.06 0.00 -0.57 0.00 0.00 43.02 40.07 3lig s PHE 396 CO 0.04 -0.63 0.46 0.08 -0.10 0.00 0.00 175.22 175.07 3lig s VAL 397 N 1.43 4.99 0.08 -0.44 1.01 -1.26 -1.32 120.40 124.88 3lig s VAL 397 Ca 0.02 0.65 -0.17 0.00 0.00 0.00 0.00 61.98 62.48 3lig s VAL 397 Cb -0.17 -3.69 -0.07 0.00 0.00 0.00 0.00 36.38 32.45 3lig s VAL 397 CO -0.00 0.30 0.53 0.86 0.00 0.00 0.00 175.10 176.79 3lig s TRP 398 N -1.39 3.74 -0.41 5.22 -0.00 0.56 -0.41 118.94 126.24 3lig s TRP 398 Ca 0.34 1.16 0.03 0.00 -0.00 0.00 0.00 56.10 57.63 3lig s TRP 398 Cb -0.15 -2.42 0.12 0.00 -0.00 0.00 0.00 33.47 31.02 3lig s TRP 398 CO 0.18 0.55 0.16 -1.17 -0.00 0.00 0.00 176.95 176.67 3lig s LEU 399 N -1.35 3.84 0.44 5.86 2.96 -0.47 -0.29 118.68 129.68 3lig s LEU 399 Ca 0.31 -2.43 -0.25 0.00 -0.22 0.00 0.00 54.13 51.54 3lig s LEU 399 Cb -0.18 -1.40 -0.09 0.00 0.50 0.00 0.00 46.19 45.02 3lig s LEU 399 CO 0.18 -0.32 1.28 1.07 -1.32 0.00 0.00 176.35 177.24 3lig n THR 400 N 3.86 2.73 0.64 3.68 5.66 -0.52 -2.55 114.28 127.78 3lig n THR 400 Ca 0.04 -0.50 0.12 0.00 -3.05 0.00 0.00 64.05 60.66 3lig n THR 400 Cb 0.37 -1.58 0.19 0.00 -1.55 0.00 0.00 70.33 67.77 3lig n THR 400 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3lig n GLY 401 N 0.81 -1.40 2.58 1.09 0.00 -1.26 -4.38 105.19 102.63 3lig n GLY 401 Ca 0.07 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 3lig n GLY 401 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3lig n ASP 402 N -2.02 2.64 -3.86 1.61 5.68 -1.26 -4.70 116.55 114.64 3lig n ASP 402 Ca 0.04 -2.64 -0.25 0.00 -0.50 0.00 0.00 54.79 51.44 3lig n ASP 402 Cb 0.42 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 3lig n ASP 402 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3lig n GLN 403 N -0.58 -4.11 -3.62 0.11 6.02 -1.26 -1.42 117.38 112.51 3lig n GLN 403 Ca 0.19 0.50 -0.24 0.00 -0.01 0.00 0.00 57.00 57.44 3lig n GLN 403 Cb 0.84 -4.89 0.07 0.00 1.02 0.00 0.00 30.24 27.29 3lig n GLN 403 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3lig n TYR 404 N -4.37 -2.72 -2.18 1.08 4.01 -1.26 -2.00 117.16 109.73 3lig n TYR 404 Ca -0.26 0.99 -0.18 0.00 -0.16 0.00 0.00 57.90 58.28 3lig n TYR 404 Cb 0.66 -4.90 -0.02 0.00 -0.31 0.00 0.00 39.34 34.77 3lig n TYR 404 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3lig n GLU 405 N -4.86 -1.43 -0.02 -0.72 1.02 -0.51 -4.87 120.64 109.26 3lig n GLU 405 Ca -0.03 0.95 0.04 0.00 -0.02 0.00 0.00 57.16 58.10 3lig n GLU 405 Cb 0.57 -5.42 0.04 0.00 -0.02 0.00 0.00 31.44 26.61 3lig n GLU 405 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3lig n GLN 406 N -2.71 0.49 -1.31 3.49 1.13 -0.84 -5.04 117.38 112.60 3lig n GLN 406 Ca -0.21 -1.08 -0.35 0.00 -1.94 0.00 0.00 57.00 53.42 3lig n GLN 406 Cb 0.65 -1.14 0.10 0.00 0.11 0.00 0.00 30.24 29.96 3lig n GLN 406 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3lig n ALA 407 N 0.35 0.04 -2.74 -1.58 0.00 -0.74 -4.90 120.51 110.94 3lig n ALA 407 Ca 0.05 -0.22 -0.43 0.00 0.00 0.00 0.00 53.44 52.83 3lig n ALA 407 Cb 0.21 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.46 3lig n ALA 407 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3lig n ASP 408 N -2.36 5.45 -1.94 0.00 2.03 -1.26 -4.60 116.55 113.87 3lig n ASP 408 Ca 0.14 -3.13 -0.06 0.00 0.52 0.00 0.00 54.79 52.25 3lig n ASP 408 Cb 0.50 -1.45 0.03 0.00 -0.72 0.00 0.00 41.12 39.48 3lig n ASP 408 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3lig n GLY 409 N 2.79 0.14 3.77 0.27 0.00 -1.26 -2.36 105.19 108.53 3lig n GLY 409 Ca 0.34 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 3lig n GLY 409 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3lig s PHE 410 N -3.14 2.81 -1.14 1.61 5.36 -1.26 -4.38 117.98 117.85 3lig s PHE 410 Ca 0.02 1.48 -0.08 0.00 -0.96 0.00 0.00 56.93 57.39 3lig s PHE 410 Cb -0.00 -3.52 -0.06 0.00 -0.34 0.00 0.00 43.02 39.09 3lig s PHE 410 CO 0.28 -1.82 2.36 -0.35 -1.46 0.00 0.00 175.22 174.23 3lig n PRO 411 N -0.28 2.57 -0.10 10.12 -0.04 -1.26 -4.65 135.00 141.35 3lig n PRO 411 Ca 0.06 -1.73 -0.07 0.00 -0.04 0.00 0.00 63.50 61.72 3lig n PRO 411 Cb 0.46 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 3lig n PRO 411 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3lig h THR 412 N 3.37 1.00 -0.32 0.52 2.02 -1.93 -1.49 112.91 116.07 3lig h THR 412 Ca 0.61 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.64 3lig h THR 412 Cb 0.23 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 3lig h THR 412 CO 1.58 0.07 0.09 0.00 0.37 0.00 0.00 175.52 177.63 3lig h ALA 413 N 1.18 1.55 -0.02 6.16 0.00 -1.95 -1.55 119.26 124.62 3lig h ALA 413 Ca 0.14 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3lig h ALA 413 Cb 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3lig h ALA 413 CO -0.09 0.34 -0.67 1.96 0.00 0.00 0.00 179.25 180.79 3lig h GLN 414 N 0.46 0.11 0.08 0.00 7.50 -1.65 -1.85 115.11 119.76 3lig h GLN 414 Ca 0.11 -0.09 -0.26 0.00 0.50 0.00 0.00 58.65 58.92 3lig h GLN 414 Cb 0.17 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.70 3lig h GLN 414 CO -0.01 0.74 -1.20 0.37 -1.50 0.00 0.00 178.83 177.24 3lig h GLN 415 N 0.08 0.17 0.00 1.46 4.15 -0.85 0.45 115.11 120.58 3lig h GLN 415 Ca -0.01 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.12 3lig h GLN 415 Cb 1.20 0.11 0.00 0.00 0.21 0.00 0.00 27.48 29.00 3lig h GLN 415 CO 0.10 1.12 0.00 0.41 -1.93 0.00 0.00 178.83 178.52 3lig n GLY 416 N 1.48 0.56 3.47 2.39 0.00 -0.62 -3.26 105.19 109.20 3lig n GLY 416 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 3lig n GLY 416 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3lig s TRP 417 N -2.42 -0.47 -0.08 1.61 1.48 -1.26 -1.90 118.94 115.89 3lig s TRP 417 Ca 0.00 0.38 -0.04 0.00 -1.06 0.00 0.00 56.10 55.38 3lig s TRP 417 Cb 0.00 0.53 0.04 0.00 -1.16 0.00 0.00 33.47 32.89 3lig s TRP 417 CO 0.00 -0.70 0.18 0.99 -4.06 0.00 0.00 176.95 173.37 3lig s THR 418 N -3.17 -0.05 0.10 0.66 2.01 -0.62 -4.90 115.64 109.67 3lig s THR 418 Ca 0.01 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.18 3lig s THR 418 Cb -0.01 -0.29 0.00 0.00 0.01 0.00 0.00 72.50 72.21 3lig s THR 418 CO -0.09 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.52 3lig n GLY 419 N 4.23 -2.15 3.65 4.40 0.00 -1.26 -1.23 105.19 112.83 3lig n GLY 419 Ca -0.26 -1.42 -0.07 0.00 0.00 0.00 0.00 46.02 44.27 3lig n GLY 419 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3lig s SER 420 N -5.36 -0.32 0.32 1.61 0.15 -1.06 -4.65 113.70 104.39 3lig s SER 420 Ca 0.00 -0.27 0.04 0.00 0.70 0.00 0.00 55.95 56.42 3lig s SER 420 Cb 0.00 0.54 -0.02 0.00 -1.71 0.00 0.00 66.02 64.83 3lig s SER 420 CO 0.00 -0.95 0.47 -0.76 1.20 0.00 0.00 173.24 173.20 3lig s LEU 421 N -2.79 4.06 0.66 3.45 1.43 -0.36 -1.36 118.68 123.78 3lig s LEU 421 Ca 0.08 0.08 -0.00 0.00 -1.03 0.00 0.00 54.13 53.25 3lig s LEU 421 Cb -0.02 -2.94 0.09 0.00 0.03 0.00 0.00 46.19 43.35 3lig s LEU 421 CO -0.02 -0.31 0.92 -0.76 0.23 0.00 0.00 176.35 176.40 3lig s LEU 422 N -4.18 3.06 0.50 1.79 1.43 0.45 -4.30 118.68 117.43 3lig s LEU 422 Ca 0.41 -0.22 -0.23 0.00 -1.03 0.00 0.00 54.13 53.06 3lig s LEU 422 Cb -0.09 -2.31 -0.06 0.00 0.03 0.00 0.00 46.19 43.75 3lig s LEU 422 CO 0.32 -1.62 1.41 -0.76 0.23 0.00 0.00 176.35 175.93 3lig s LEU 423 N -5.02 3.98 0.29 1.79 1.43 -1.26 -4.55 118.68 115.34 3lig s LEU 423 Ca 0.63 2.88 -0.30 0.00 -1.03 0.00 0.00 54.13 56.31 3lig s LEU 423 Cb -0.07 -4.10 -0.12 0.00 0.03 0.00 0.00 46.19 41.93 3lig s LEU 423 CO 0.42 -1.41 1.49 -2.65 0.23 0.00 0.00 176.35 174.44 3lig n PRO 424 N -0.63 2.44 -4.97 1.29 -0.02 -1.26 -4.70 135.00 127.15 3lig n PRO 424 Ca 0.08 0.87 -0.28 0.00 -2.02 0.00 0.00 63.50 62.15 3lig n PRO 424 Cb 0.43 -2.58 -0.16 0.00 -0.02 0.00 0.00 33.50 31.17 3lig n PRO 424 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3lig s ARG 425 N -0.81 1.97 -0.15 -0.52 0.52 -0.45 -0.46 118.95 119.04 3lig s ARG 425 Ca 0.63 -0.70 -0.23 0.00 -0.52 0.00 0.00 55.73 54.91 3lig s ARG 425 Cb -0.55 -1.72 -0.03 0.00 0.52 0.00 0.00 34.95 33.18 3lig s ARG 425 CO 0.52 0.30 0.70 -1.21 0.02 0.00 0.00 175.30 175.63 3lig s GLU 426 N -0.08 4.30 -0.13 3.54 2.02 0.11 -0.30 118.70 128.16 3lig s GLU 426 Ca -0.02 0.79 -0.03 0.00 0.02 0.00 0.00 54.97 55.73 3lig s GLU 426 Cb -0.12 -3.54 -0.03 0.00 0.10 0.00 0.00 34.13 30.55 3lig s GLU 426 CO 0.02 -0.17 -0.03 -0.51 0.02 0.00 0.00 175.26 174.59 3lig s LEU 427 N 1.65 3.32 0.00 1.80 1.02 -0.55 -2.32 118.68 123.60 3lig s LEU 427 Ca 0.33 -0.06 -0.10 0.00 0.02 0.00 0.00 54.13 54.32 3lig s LEU 427 Cb -0.16 -1.78 0.04 0.00 0.02 0.00 0.00 46.19 44.30 3lig s LEU 427 CO 0.13 0.23 0.62 2.29 0.02 0.00 0.00 176.35 179.63 3lig n LYS 428 N 3.14 0.89 -3.11 1.70 2.85 -1.08 -4.27 118.16 118.27 3lig n LYS 428 Ca -0.18 -1.97 -0.40 0.00 -1.05 0.00 0.00 58.31 54.71 3lig n LYS 428 Cb 0.53 2.33 -0.06 0.00 -0.65 0.00 0.00 35.03 37.18 3lig n LYS 428 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3lig s VAL 429 N -2.34 5.00 -0.12 0.58 1.01 0.59 -0.16 120.40 124.96 3lig s VAL 429 Ca 0.16 1.16 -0.04 0.00 0.00 0.00 0.00 61.98 63.25 3lig s VAL 429 Cb -0.04 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3lig s VAL 429 CO 0.11 0.06 0.04 -1.58 0.00 0.00 0.00 175.10 173.74 3lig s GLN 430 N 2.24 3.33 0.11 2.72 2.00 -0.14 -4.27 119.66 125.65 3lig s GLN 430 Ca 0.27 -0.34 0.06 0.00 -2.00 0.00 0.00 55.36 53.35 3lig s GLN 430 Cb -0.16 -2.97 -0.04 0.00 0.80 0.00 0.00 33.01 30.64 3lig s GLN 430 CO 0.09 0.60 -0.03 0.95 -0.50 0.00 0.00 175.29 176.40 3lig s THR 431 N -0.58 3.76 -0.16 -0.34 -4.23 -1.26 -1.04 115.64 111.79 3lig s THR 431 Ca 0.10 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 3lig s THR 431 Cb -0.12 -2.79 0.03 0.00 1.34 0.00 0.00 72.50 70.96 3lig s THR 431 CO 0.02 0.08 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.37 3lig s VAL 432 N -1.33 1.58 0.32 2.29 1.01 -0.56 -4.94 120.40 118.77 3lig s VAL 432 Ca 0.24 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.55 3lig s VAL 432 Cb -0.11 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 3lig s VAL 432 CO 0.17 0.36 0.28 -1.61 0.00 0.00 0.00 175.10 174.30 3lig s GLU 433 N 1.46 2.78 -1.34 2.72 2.02 -1.26 -0.01 118.70 125.07 3lig s GLU 433 Ca 0.03 -1.23 0.00 0.00 0.02 0.00 0.00 54.97 53.79 3lig s GLU 433 Cb -0.14 -2.51 0.00 0.00 0.10 0.00 0.00 34.13 31.58 3lig s GLU 433 CO -0.10 0.15 0.00 0.09 0.02 0.00 0.00 175.26 175.43 3lig n ASN 434 N -1.35 -4.56 -4.69 -0.19 5.03 -1.12 -4.84 115.26 103.53 3lig n ASN 434 Ca -0.03 0.08 -0.40 0.00 0.87 0.00 0.00 54.58 55.09 3lig n ASN 434 Cb 0.59 -3.63 -0.05 0.00 -1.02 0.00 0.00 39.78 35.68 3lig n ASN 434 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3lig s VAL 435 N -2.69 4.98 0.01 2.41 1.01 -0.66 -0.94 120.40 124.53 3lig s VAL 435 Ca 0.00 1.49 -0.30 0.00 0.00 0.00 0.00 61.98 63.17 3lig s VAL 435 Cb 0.00 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.24 3lig s VAL 435 CO 0.00 0.15 1.78 -0.69 0.00 0.00 0.00 175.10 176.34 3lig s VAL 436 N 1.42 3.21 -1.13 2.92 1.01 0.89 0.27 120.40 128.99 3lig s VAL 436 Ca 0.37 0.38 -0.22 0.00 0.00 0.00 0.00 61.98 62.51 3lig s VAL 436 Cb -0.17 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 3lig s VAL 436 CO 0.15 -0.03 1.79 -0.62 0.00 0.00 0.00 175.10 176.40 3lig s ASP 437 N 3.51 5.86 0.00 3.32 -1.08 -0.43 -4.71 116.67 123.15 3lig s ASP 437 Ca 0.79 -1.65 0.00 0.00 -0.52 0.00 0.00 52.55 51.17 3lig s ASP 437 Cb -0.39 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.50 3lig s ASP 437 CO 0.35 -2.16 0.00 -0.46 0.52 0.00 0.00 175.17 173.42 3lig n ASN 438 N 11.51 1.09 -0.13 -0.34 0.23 -1.26 -4.79 115.26 121.57 3lig n ASN 438 Ca 0.43 -0.60 0.12 0.00 -0.53 0.00 0.00 54.58 54.00 3lig n ASN 438 Cb 0.47 0.00 0.48 0.00 -2.08 0.00 0.00 39.78 38.65 3lig n ASN 438 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3lig h GLU 439 N 0.00 0.46 -0.15 -3.83 3.07 -1.96 -0.02 114.58 112.15 3lig h GLU 439 Ca 0.00 -0.03 0.04 0.00 -0.50 0.00 0.00 59.36 58.88 3lig h GLU 439 Cb 0.00 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 3lig h GLU 439 CO 0.00 0.30 0.12 -0.07 -1.40 0.00 0.00 179.01 177.96 3lig h LEU 440 N 0.47 0.00 0.00 1.33 3.38 -1.96 -1.97 115.31 116.56 3lig h LEU 440 Ca 0.32 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 58.02 3lig h LEU 440 Cb 0.60 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 3lig h LEU 440 CO -0.10 0.00 -1.77 0.52 0.09 0.00 0.00 178.44 177.18 3lig n VAL 441 N -4.26 1.43 0.86 1.22 0.31 -0.08 -4.46 118.33 113.34 3lig n VAL 441 Ca 0.01 -0.77 0.12 0.00 -0.01 0.00 0.00 64.34 63.68 3lig n VAL 441 Cb 0.24 -0.83 0.26 0.00 -0.91 0.00 0.00 33.84 32.60 3lig n VAL 441 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3lig n ARG 442 N -2.93 2.18 -1.73 5.55 5.12 -0.79 -4.93 116.66 119.13 3lig n ARG 442 Ca -0.18 -1.75 -0.42 0.00 -1.93 0.00 0.00 57.85 53.57 3lig n ARG 442 Cb 1.01 -1.47 -0.00 0.00 -1.16 0.00 0.00 32.46 30.84 3lig n ARG 442 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 3lig n GLU 443 N 1.02 2.32 -2.29 5.56 2.13 -0.90 -4.95 120.64 123.54 3lig n GLU 443 Ca 0.17 0.82 -0.32 0.00 0.66 0.00 0.00 57.16 58.49 3lig n GLU 443 Cb 0.51 -2.47 -0.02 0.00 0.27 0.00 0.00 31.44 29.73 3lig n GLU 443 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3lig s GLU 444 N -2.00 3.85 -1.07 5.31 2.02 -1.26 -4.25 118.70 121.31 3lig s GLU 444 Ca 0.55 0.94 -0.01 0.00 0.02 0.00 0.00 54.97 56.47 3lig s GLU 444 Cb -0.53 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 31.58 3lig s GLU 444 CO 0.63 -0.36 0.90 0.41 0.02 0.00 0.00 175.26 176.86 3lig n GLY 445 N -1.74 -0.27 2.46 -1.39 0.00 -1.26 -4.78 105.19 98.21 3lig n GLY 445 Ca 0.07 0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 3lig n GLY 445 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3lig n VAL 446 N -3.87 0.00 -0.98 1.61 0.24 -1.26 -4.44 118.33 109.63 3lig n VAL 446 Ca -0.22 -1.35 0.01 0.00 -2.04 0.00 0.00 64.34 60.75 3lig n VAL 446 Cb 0.63 -0.35 0.36 0.00 -1.47 0.00 0.00 33.84 33.02 3lig n VAL 446 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3lig n SER 447 N -2.10 5.29 -3.85 -1.34 7.64 -1.23 -2.94 113.62 115.09 3lig n SER 447 Ca 0.02 -3.08 -0.09 0.00 1.01 0.00 0.00 58.87 56.73 3lig n SER 447 Cb 0.40 -0.71 -0.06 0.00 -1.01 0.00 0.00 64.21 62.83 3lig n SER 447 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 3lig s TRP 448 N -2.88 0.17 0.18 1.43 -2.14 -1.26 -4.52 118.94 109.91 3lig s TRP 448 Ca 0.55 -0.54 0.08 0.00 2.66 0.00 0.00 56.10 58.85 3lig s TRP 448 Cb 0.43 0.08 -0.04 0.00 -3.10 0.00 0.00 33.47 30.83 3lig s TRP 448 CO 0.15 -0.73 -0.17 0.14 -2.66 0.00 0.00 176.95 173.68 3lig s VAL 449 N -3.91 1.80 -0.43 -0.66 -7.23 -0.52 -4.88 120.40 104.57 3lig s VAL 449 Ca 0.11 -2.03 -0.24 0.00 -1.81 0.00 0.00 61.98 58.01 3lig s VAL 449 Cb 0.02 -1.92 0.02 0.00 0.56 0.00 0.00 36.38 35.07 3lig s VAL 449 CO -0.04 -0.42 0.82 -0.69 -0.31 0.00 0.00 175.10 174.46 3lig s VAL 450 N -2.39 4.62 0.29 1.32 1.01 -1.26 -1.46 120.40 122.52 3lig s VAL 450 Ca 0.18 0.61 0.13 0.00 0.00 0.00 0.00 61.98 62.91 3lig s VAL 450 Cb -0.04 -4.32 0.05 0.00 0.00 0.00 0.00 36.38 32.07 3lig s VAL 450 CO 0.07 -0.68 1.71 1.23 0.00 0.00 0.00 175.10 177.43 3lig h GLY 451 N 10.15 0.00 -4.23 4.51 0.00 -0.07 -3.47 103.07 109.96 3lig h GLY 451 Ca -0.25 0.00 0.29 0.00 0.00 0.00 0.00 47.33 47.38 3lig h GLY 451 CO 0.97 0.00 0.95 -1.83 0.00 0.00 0.00 176.54 176.62 3lig s GLU 452 N -3.80 0.08 -0.13 4.80 -1.05 -1.19 -4.96 118.70 112.45 3lig s GLU 452 Ca -0.02 -0.02 -0.30 0.00 -0.15 0.00 0.00 54.97 54.49 3lig s GLU 452 Cb 0.13 0.04 0.13 0.00 -0.44 0.00 0.00 34.13 33.98 3lig s GLU 452 CO 0.73 -0.03 1.01 0.45 0.95 0.00 0.00 175.26 178.37 3lig s SER 453 N -1.75 -0.33 -0.30 0.83 0.15 -1.26 -1.62 113.70 109.43 3lig s SER 453 Ca 0.11 0.25 0.08 0.00 0.70 0.00 0.00 55.95 57.09 3lig s SER 453 Cb -0.01 0.29 0.50 0.00 -1.71 0.00 0.00 66.02 65.09 3lig s SER 453 CO -0.04 -0.38 1.45 0.47 1.20 0.00 0.00 173.24 175.94 3lig n ASP 454 N 0.40 2.59 0.00 5.45 8.00 -1.05 -4.89 116.55 127.04 3lig n ASP 454 Ca -0.08 -3.81 0.00 0.00 0.71 0.00 0.00 54.79 51.61 3lig n ASP 454 Cb 0.59 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 3lig n ASP 454 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3lig n ASN 455 N -1.11 0.00 -0.05 -2.24 3.02 -1.26 -4.69 115.26 108.93 3lig n ASN 455 Ca 0.34 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.82 3lig n ASN 455 Cb 1.01 -0.95 -0.02 0.00 -0.61 0.00 0.00 39.78 39.21 3lig n ASN 455 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3lig n GLN 456 N -2.00 0.39 -4.25 3.52 -0.00 -1.26 -4.63 117.38 109.14 3lig n GLN 456 Ca 0.00 0.15 -0.21 0.00 -0.00 0.00 0.00 57.00 56.95 3lig n GLN 456 Cb 0.00 -1.18 -0.12 0.00 -0.00 0.00 0.00 30.24 28.94 3lig n GLN 456 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 3lig s THR 457 N -2.66 1.47 0.24 -0.39 -4.23 -1.26 -1.32 115.64 107.49 3lig s THR 457 Ca -0.21 -1.57 0.01 0.00 -1.18 0.00 0.00 61.69 58.74 3lig s THR 457 Cb 0.03 -1.45 -0.04 0.00 1.34 0.00 0.00 72.50 72.38 3lig s THR 457 CO 0.31 -0.23 0.18 0.00 -0.54 0.00 0.00 174.62 174.35 3lig s ALA 458 N -1.55 1.37 -0.14 3.99 0.00 0.14 -2.54 121.76 123.04 3lig s ALA 458 Ca 0.06 -1.81 0.01 0.00 0.00 0.00 0.00 51.96 50.22 3lig s ALA 458 Cb -0.08 1.42 0.02 0.00 0.00 0.00 0.00 23.12 24.47 3lig s ALA 458 CO 0.04 -0.62 -0.17 0.99 0.00 0.00 0.00 175.76 176.00 3lig s THR 459 N -3.93 1.73 0.31 0.00 2.01 -0.64 -1.65 115.64 113.48 3lig s THR 459 Ca 0.39 -0.76 -0.05 0.00 0.31 0.00 0.00 61.69 61.59 3lig s THR 459 Cb 0.05 -1.58 -0.05 0.00 0.01 0.00 0.00 72.50 70.93 3lig s THR 459 CO 0.17 0.49 0.59 -0.76 -0.69 0.00 0.00 174.62 174.41 3lig s LEU 460 N 1.21 4.01 -0.07 4.42 1.02 0.98 0.66 118.68 130.91 3lig s LEU 460 Ca 0.00 0.75 0.02 0.00 0.02 0.00 0.00 54.13 54.92 3lig s LEU 460 Cb -0.14 -3.58 0.01 0.00 0.02 0.00 0.00 46.19 42.51 3lig s LEU 460 CO -0.07 -0.24 -0.12 -0.13 0.02 0.00 0.00 176.35 175.81 3lig s ARG 461 N -3.68 1.71 0.26 1.70 0.52 -0.54 -1.50 118.95 117.42 3lig s ARG 461 Ca 0.45 -0.40 -0.05 0.00 -0.52 0.00 0.00 55.73 55.20 3lig s ARG 461 Cb -0.11 -1.46 0.02 0.00 0.52 0.00 0.00 34.95 33.93 3lig s ARG 461 CO 0.31 -0.02 0.44 -2.37 0.02 0.00 0.00 175.30 173.68 3lig n THR 462 N 3.98 0.00 -2.73 0.02 5.66 -0.20 -1.44 114.28 119.57 3lig n THR 462 Ca -0.21 -1.01 -0.42 0.00 -3.05 0.00 0.00 64.05 59.35 3lig n THR 462 Cb 0.51 0.74 -0.03 0.00 -1.55 0.00 0.00 70.33 70.00 3lig n THR 462 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3lig s LEU 463 N 0.00 4.18 -0.02 1.09 2.96 -1.26 -0.97 118.68 124.66 3lig s LEU 463 Ca 0.16 1.40 -0.20 0.00 -0.22 0.00 0.00 54.13 55.27 3lig s LEU 463 Cb -0.02 -3.47 -0.05 0.00 0.50 0.00 0.00 46.19 43.15 3lig s LEU 463 CO 0.12 -0.51 0.57 -0.83 -1.32 0.00 0.00 176.35 174.39 3lig s GLY 464 N 1.15 2.57 -0.18 7.98 0.00 0.77 -4.56 107.32 115.06 3lig s GLY 464 Ca 0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 44.72 45.14 3lig s GLY 464 CO 0.13 0.75 -0.01 -0.42 0.00 0.00 0.00 173.10 173.54 3lig s ILE 465 N -0.07 0.87 0.08 0.90 1.01 0.27 -2.62 121.20 121.64 3lig s ILE 465 Ca 0.30 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.37 3lig s ILE 465 Cb -0.18 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 3lig s ILE 465 CO 0.16 -0.01 -0.07 0.42 0.00 0.00 0.00 174.94 175.43 3lig s THR 466 N 1.72 0.67 0.23 2.92 -4.23 -0.98 -4.02 115.64 111.95 3lig s THR 466 Ca -0.00 -1.59 -0.30 0.00 -1.18 0.00 0.00 61.69 58.61 3lig s THR 466 Cb -0.16 -1.26 -0.10 0.00 1.34 0.00 0.00 72.50 72.32 3lig s THR 466 CO -0.07 -0.66 1.43 -0.63 -0.54 0.00 0.00 174.62 174.15 3lig s ILE 467 N -2.67 2.75 0.04 2.99 1.01 -1.26 0.10 121.20 124.15 3lig s ILE 467 Ca 0.03 0.62 -0.36 0.00 0.00 0.00 0.00 60.65 60.94 3lig s ILE 467 Cb -0.01 -3.39 -0.15 0.00 0.01 0.00 0.00 42.46 38.91 3lig s ILE 467 CO -0.02 0.09 1.51 0.00 0.00 0.00 0.00 174.94 176.52 3lig n ALA 468 N 2.54 -0.06 -0.29 9.38 0.00 0.40 -4.62 120.51 127.85 3lig n ALA 468 Ca 0.07 0.46 0.11 0.00 0.00 0.00 0.00 53.44 54.08 3lig n ALA 468 Cb 0.40 -2.21 0.26 0.00 0.00 0.00 0.00 19.45 17.91 3lig n ALA 468 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3lig h ARG 469 N 5.72 0.22 -0.37 0.00 0.11 -1.90 0.16 114.38 118.32 3lig h ARG 469 Ca -0.47 -0.01 -0.05 0.00 0.10 0.00 0.00 59.98 59.54 3lig h ARG 469 Cb 1.31 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 32.32 3lig h ARG 469 CO 0.85 0.14 -0.00 0.93 0.10 0.00 0.00 179.97 181.99 3lig h GLU 470 N 0.22 0.58 -0.23 0.08 3.07 -1.87 0.11 114.58 116.55 3lig h GLU 470 Ca 0.52 -0.13 -0.18 0.00 -0.50 0.00 0.00 59.36 59.06 3lig h GLU 470 Cb 1.01 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.84 3lig h GLU 470 CO -0.62 0.61 -0.57 1.15 -1.40 0.00 0.00 179.01 178.17 3lig h THR 471 N 0.55 1.29 -0.71 1.13 2.02 -0.96 -1.62 112.91 114.60 3lig h THR 471 Ca 0.12 -1.77 -0.04 0.00 0.77 0.00 0.00 66.41 65.49 3lig h THR 471 Cb 0.36 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 3lig h THR 471 CO 0.01 0.57 0.28 0.50 0.37 0.00 0.00 175.52 177.25 3lig h LYS 472 N 0.54 1.06 -0.66 6.66 3.64 -0.86 0.03 116.57 126.98 3lig h LYS 472 Ca -0.01 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 3lig h LYS 472 Cb 1.18 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 3lig h LYS 472 CO 0.12 0.88 0.35 0.00 -2.27 0.00 0.00 179.45 178.53 3lig h ALA 473 N 1.13 0.84 -0.46 5.00 0.00 -0.69 -2.68 119.26 122.40 3lig h ALA 473 Ca 0.24 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3lig h ALA 473 Cb 0.21 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3lig h ALA 473 CO -0.02 0.37 -0.13 0.00 0.00 0.00 0.00 179.25 179.47 3lig h ALA 474 N 1.17 0.89 0.00 0.00 0.00 -0.81 0.22 119.26 120.73 3lig h ALA 474 Ca 0.23 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3lig h ALA 474 Cb 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3lig h ALA 474 CO -0.04 0.63 -0.06 -0.07 0.00 0.00 0.00 179.25 179.72 3lig h LEU 475 N 0.77 0.00 0.00 0.00 3.38 -0.68 -3.17 115.31 115.62 3lig h LEU 475 Ca 0.12 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.90 3lig h LEU 475 Cb 0.65 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 3lig h LEU 475 CO 0.05 0.06 -1.99 0.18 0.09 0.00 0.00 178.44 176.82 3lig n LEU 476 N -3.99 0.00 -0.27 1.67 4.77 -1.03 -3.76 117.00 114.39 3lig n LEU 476 Ca -0.03 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.91 3lig n LEU 476 Cb 0.14 0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.47 3lig n LEU 476 CO 0.31 0.26 0.36 0.00 -1.33 0.00 0.00 177.39 176.98 3lig n ALA 477 N -2.42 -0.27 -1.34 -1.18 0.00 0.75 -1.13 120.51 114.93 3lig n ALA 477 Ca -0.18 0.62 -0.02 0.00 0.00 0.00 0.00 53.44 53.86 3lig n ALA 477 Cb 0.82 -0.19 0.21 0.00 0.00 0.00 0.00 19.45 20.29 3lig n ALA 477 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3lig n ASN 478 N -4.91 2.82 -4.86 0.00 3.02 -1.26 -5.02 115.26 105.05 3lig n ASN 478 Ca 0.04 -3.59 -0.32 0.00 -0.03 0.00 0.00 54.58 50.69 3lig n ASN 478 Cb 0.22 -0.62 -0.05 0.00 -0.61 0.00 0.00 39.78 38.72 3lig n ASN 478 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3lig s GLY 479 N -2.37 2.20 -0.17 7.41 0.00 -0.28 -4.91 107.32 109.20 3lig s GLY 479 Ca 0.44 -0.12 -0.24 0.00 0.00 0.00 0.00 44.72 44.81 3lig s GLY 479 CO 0.02 0.06 0.75 -0.45 0.00 0.00 0.00 173.10 173.49 3lig s SER 480 N -2.56 6.87 -0.20 1.64 0.15 -0.76 -4.77 113.70 114.06 3lig s SER 480 Ca 0.51 1.07 -0.11 0.00 0.70 0.00 0.00 55.95 58.12 3lig s SER 480 Cb -0.10 -2.42 -0.05 0.00 -1.71 0.00 0.00 66.02 61.74 3lig s SER 480 CO 0.22 -0.33 0.17 -0.69 1.20 0.00 0.00 173.24 173.81 3lig s VAL 481 N 1.94 5.38 -0.10 4.45 1.01 -1.26 -1.02 120.40 130.80 3lig s VAL 481 Ca 0.35 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.57 3lig s VAL 481 Cb -0.16 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.74 3lig s VAL 481 CO 0.12 0.41 -0.01 -0.89 0.00 0.00 0.00 175.10 174.74 3lig s THR 482 N 0.51 0.53 0.17 3.92 2.01 -0.13 -4.98 115.64 117.67 3lig s THR 482 Ca 0.09 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.02 3lig s THR 482 Cb -0.12 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.63 3lig s THR 482 CO 0.00 0.20 0.34 0.00 -0.69 0.00 0.00 174.62 174.47 3lig s ALA 483 N 1.90 3.90 0.02 7.40 0.00 -1.26 -0.40 121.76 133.32 3lig s ALA 483 Ca 0.04 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.13 3lig s ALA 483 Cb -0.13 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.06 3lig s ALA 483 CO -0.06 0.49 -0.11 -1.21 0.00 0.00 0.00 175.76 174.86 3lig s GLU 484 N -3.26 2.34 0.32 0.00 0.41 -0.64 -4.97 118.70 112.90 3lig s GLU 484 Ca 0.37 -0.84 -0.29 0.00 -0.41 0.00 0.00 54.97 53.80 3lig s GLU 484 Cb -0.11 -2.36 -0.11 0.00 -1.78 0.00 0.00 34.13 29.77 3lig s GLU 484 CO 0.29 0.57 1.43 -1.21 -0.49 0.00 0.00 175.26 175.85 3lig s GLU 485 N -1.45 4.23 0.53 1.61 0.41 -1.26 -4.34 118.70 118.42 3lig s GLU 485 Ca 0.16 2.39 -0.21 0.00 -0.41 0.00 0.00 54.97 56.90 3lig s GLU 485 Cb -0.11 -3.05 -0.07 0.00 -1.78 0.00 0.00 34.13 29.13 3lig s GLU 485 CO 0.07 -0.41 1.04 -0.25 -0.49 0.00 0.00 175.26 175.22 3lig n ASP 486 N 1.32 1.26 -3.73 -0.19 8.00 -1.26 -4.97 116.55 116.98 3lig n ASP 486 Ca 0.03 0.92 -0.11 0.00 0.71 0.00 0.00 54.79 56.33 3lig n ASP 486 Cb 0.40 -1.41 -0.07 0.00 -0.02 0.00 0.00 41.12 40.02 3lig n ASP 486 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3lig s ARG 487 N -2.49 0.86 0.00 -1.24 3.52 -0.97 -5.01 118.95 113.62 3lig s ARG 487 Ca 0.70 -0.53 0.07 0.00 -0.13 0.00 0.00 55.73 55.84 3lig s ARG 487 Cb -0.46 0.37 -0.02 0.00 -1.56 0.00 0.00 34.95 33.28 3lig s ARG 487 CO 0.51 -0.29 -0.21 0.99 -0.81 0.00 0.00 175.30 175.50 3lig s THR 488 N -2.76 1.66 -0.08 4.11 2.01 -1.26 -0.30 115.64 119.02 3lig s THR 488 Ca -0.03 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 60.99 3lig s THR 488 Cb -0.00 -1.40 0.02 0.00 0.01 0.00 0.00 72.50 71.13 3lig s THR 488 CO -0.05 0.39 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.43 3lig s LEU 489 N -0.69 1.39 0.04 4.42 1.43 -0.42 -5.01 118.68 119.85 3lig s LEU 489 Ca 0.08 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 3lig s LEU 489 Cb -0.08 -0.74 -0.01 0.00 0.03 0.00 0.00 46.19 45.39 3lig s LEU 489 CO -0.00 -0.04 -0.05 0.00 0.23 0.00 0.00 176.35 176.49 3lig n GLN 490 N 4.27 0.07 -1.26 1.70 6.02 -1.26 -1.69 117.38 125.23 3lig n GLN 490 Ca -0.19 0.03 -0.30 0.00 -0.01 0.00 0.00 57.00 56.52 3lig n GLN 490 Cb 0.51 -0.54 0.11 0.00 1.02 0.00 0.00 30.24 31.34 3lig n GLN 490 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3lig s THR 491 N -1.92 3.01 0.23 5.09 -4.23 -1.26 -3.97 115.64 112.59 3lig s THR 491 Ca -0.04 0.33 -0.30 0.00 -1.18 0.00 0.00 61.69 60.50 3lig s THR 491 Cb 0.01 -2.84 -0.10 0.00 1.34 0.00 0.00 72.50 70.91 3lig s THR 491 CO 0.06 -0.43 1.43 0.00 -0.54 0.00 0.00 174.62 175.14 3lig s ALA 492 N -2.94 3.63 -0.06 3.99 0.00 -1.26 -4.13 121.76 120.99 3lig s ALA 492 Ca 0.62 1.29 -0.30 0.00 0.00 0.00 0.00 51.96 53.58 3lig s ALA 492 Cb -0.17 -3.55 0.09 0.00 0.00 0.00 0.00 23.12 19.48 3lig s ALA 492 CO 0.56 -0.71 0.78 0.00 0.00 0.00 0.00 175.76 176.39 3lig s ALA 493 N 0.19 -1.80 -0.26 0.00 0.00 -0.16 -4.85 121.76 114.87 3lig s ALA 493 Ca 0.60 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.85 3lig s ALA 493 Cb -0.41 -0.08 0.08 0.00 0.00 0.00 0.00 23.12 22.71 3lig s ALA 493 CO 0.41 -0.42 0.01 0.08 0.00 0.00 0.00 175.76 175.83 3lig s VAL 494 N -1.61 1.34 -0.24 0.00 1.01 -1.26 -1.72 120.40 117.92 3lig s VAL 494 Ca -0.06 -1.33 -0.02 0.00 0.00 0.00 0.00 61.98 60.57 3lig s VAL 494 Cb -0.00 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.61 3lig s VAL 494 CO 0.03 -0.33 -0.06 -0.69 0.00 0.00 0.00 175.10 174.06 3lig s VAL 495 N 1.44 2.97 0.51 2.92 1.01 -0.20 -4.91 120.40 124.13 3lig s VAL 495 Ca 0.01 -0.93 -0.22 0.00 0.00 0.00 0.00 61.98 60.84 3lig s VAL 495 Cb -0.18 -2.48 -0.06 0.00 0.00 0.00 0.00 36.38 33.66 3lig s VAL 495 CO -0.11 0.24 1.30 -2.16 0.00 0.00 0.00 175.10 174.36 3lig s PRO 496 N 1.35 3.41 0.87 2.72 0.04 -1.26 0.01 135.00 142.14 3lig s PRO 496 Ca 0.01 2.09 -0.10 0.00 0.04 0.00 0.00 61.00 63.04 3lig s PRO 496 Cb -0.16 -2.35 0.12 0.00 0.04 0.00 0.00 34.50 32.14 3lig s PRO 496 CO -0.04 -0.93 1.12 -0.06 0.04 0.00 0.00 177.00 177.13 3lig s PHE 497 N -1.37 2.03 0.22 0.56 0.40 -0.59 -4.84 117.98 114.39 3lig s PHE 497 Ca 0.68 1.64 -0.08 0.00 -0.60 0.00 0.00 56.93 58.56 3lig s PHE 497 Cb -0.37 -3.20 0.17 0.00 0.51 0.00 0.00 43.02 40.13 3lig s PHE 497 CO 0.44 -2.44 1.83 0.00 0.70 0.00 0.00 175.22 175.75 3lig h ALA 498 N -1.60 1.05 -3.34 5.36 0.00 -1.93 -3.41 119.26 115.39 3lig h ALA 498 Ca -0.45 -0.13 -0.30 0.00 0.00 0.00 0.00 54.91 54.03 3lig h ALA 498 Cb 1.26 -0.33 -0.35 0.00 0.00 0.00 0.00 17.79 18.37 3lig h ALA 498 CO 0.47 0.57 -0.68 -1.14 0.00 0.00 0.00 179.25 178.46 3lig s GLN 499 N -5.81 -0.00 0.24 0.00 0.74 -1.26 -5.16 119.66 108.41 3lig s GLN 499 Ca -0.13 0.34 0.08 0.00 0.05 0.00 0.00 55.36 55.70 3lig s GLN 499 Cb 0.16 -0.29 -0.04 0.00 1.10 0.00 0.00 33.01 33.94 3lig s GLN 499 CO 0.82 -0.22 0.11 -1.12 -0.55 0.00 0.00 175.29 174.32 3lig s SER 500 N 1.53 5.15 0.98 6.67 0.01 -1.26 -4.99 113.70 121.79 3lig s SER 500 Ca -0.04 -0.38 -0.12 0.00 1.31 0.00 0.00 55.95 56.72 3lig s SER 500 Cb -0.12 -1.20 0.18 0.00 0.21 0.00 0.00 66.02 65.09 3lig s SER 500 CO -0.04 -0.01 1.09 -2.16 0.41 0.00 0.00 173.24 172.53 3lig s PRO 501 N -3.67 0.56 -0.04 12.44 0.04 -1.26 -4.94 135.00 138.13 3lig s PRO 501 Ca 0.32 1.00 0.10 0.00 0.04 0.00 0.00 61.00 62.46 3lig s PRO 501 Cb -0.08 -1.71 0.30 0.00 0.04 0.00 0.00 34.50 33.05 3lig s PRO 501 CO 0.23 -2.77 1.24 -1.13 0.04 0.00 0.00 177.00 174.61 3lig n SER 502 N -4.27 2.93 -4.12 6.66 3.41 -1.26 -4.53 113.62 112.44 3lig n SER 502 Ca 0.07 -2.23 -0.12 0.00 -0.26 0.00 0.00 58.87 56.33 3lig n SER 502 Cb 0.54 -0.26 -0.09 0.00 -0.26 0.00 0.00 64.21 64.14 3lig n SER 502 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3lig s SER 503 N -1.25 0.17 -0.50 4.04 1.04 -1.26 -4.99 113.70 110.95 3lig s SER 503 Ca 0.23 -1.32 0.03 0.00 0.48 0.00 0.00 55.95 55.37 3lig s SER 503 Cb 0.15 0.43 0.58 0.00 0.10 0.00 0.00 66.02 67.28 3lig s SER 503 CO 0.11 -0.91 1.90 0.29 0.98 0.00 0.00 173.24 175.61 3lig n LYS 504 N -0.31 2.39 -3.84 4.02 5.02 -1.26 -4.79 118.16 119.39 3lig n LYS 504 Ca 0.01 -3.14 -0.30 0.00 -2.02 0.00 0.00 58.31 52.86 3lig n LYS 504 Cb 0.65 -2.19 -0.15 0.00 -0.02 0.00 0.00 35.03 33.33 3lig n LYS 504 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3lig s PHE 505 N -3.47 2.58 0.27 2.13 0.08 -1.25 -0.13 117.98 118.19 3lig s PHE 505 Ca 0.58 -2.43 -0.21 0.00 0.12 0.00 0.00 56.93 55.00 3lig s PHE 505 Cb 0.48 -2.26 0.03 0.00 -0.57 0.00 0.00 43.02 40.71 3lig s PHE 505 CO 0.06 -0.87 0.77 -0.59 -0.10 0.00 0.00 175.22 174.49 3lig s PHE 506 N 0.96 -0.13 -0.18 0.36 -0.12 -0.42 -0.19 117.98 118.26 3lig s PHE 506 Ca 0.12 -0.34 0.01 0.00 -0.05 0.00 0.00 56.93 56.67 3lig s PHE 506 Cb -0.20 0.72 0.03 0.00 -0.63 0.00 0.00 43.02 42.94 3lig s PHE 506 CO -0.12 -1.22 -0.11 0.08 -0.05 0.00 0.00 175.22 173.79 3lig s VAL 507 N -3.55 1.57 -0.18 -2.49 1.01 0.53 -0.58 120.40 116.71 3lig s VAL 507 Ca 0.12 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 3lig s VAL 507 Cb -0.05 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 3lig s VAL 507 CO 0.07 0.28 0.17 -0.22 0.00 0.00 0.00 175.10 175.39 3lig s LEU 508 N 1.45 4.24 0.01 3.92 2.96 0.11 -1.37 118.68 129.99 3lig s LEU 508 Ca 0.01 0.31 0.06 0.00 -0.22 0.00 0.00 54.13 54.29 3lig s LEU 508 Cb -0.15 -2.15 -0.02 0.00 0.50 0.00 0.00 46.19 44.38 3lig s LEU 508 CO -0.09 0.19 -0.17 0.42 -1.32 0.00 0.00 176.35 175.38 3lig s THR 509 N 0.24 1.33 -0.11 3.68 -4.23 -0.34 0.34 115.64 116.54 3lig s THR 509 Ca 0.10 -0.89 -0.30 0.00 -1.18 0.00 0.00 61.69 59.42 3lig s THR 509 Cb -0.12 -1.15 0.12 0.00 1.34 0.00 0.00 72.50 72.70 3lig s THR 509 CO -0.00 0.24 0.99 0.00 -0.54 0.00 0.00 174.62 175.31 3lig s ALA 510 N -0.59 -1.92 -0.10 3.99 0.00 -0.86 -1.13 121.76 121.15 3lig s ALA 510 Ca 0.05 1.40 0.03 0.00 0.00 0.00 0.00 51.96 53.44 3lig s ALA 510 Cb -0.07 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.80 3lig s ALA 510 CO 0.00 -0.48 -0.18 -0.65 0.00 0.00 0.00 175.76 174.45 3lig s GLN 511 N -1.98 2.48 -0.16 0.00 -0.21 -0.38 -0.39 119.66 119.01 3lig s GLN 511 Ca 0.02 -0.67 -0.03 0.00 0.02 0.00 0.00 55.36 54.70 3lig s GLN 511 Cb -0.01 -1.98 -0.02 0.00 1.00 0.00 0.00 33.01 32.00 3lig s GLN 511 CO -0.03 0.05 -0.06 -0.51 -2.12 0.00 0.00 175.29 172.61 3lig s LEU 512 N 0.67 3.01 -0.17 2.90 1.02 -0.08 -0.93 118.68 125.10 3lig s LEU 512 Ca -0.13 -0.25 -0.01 0.00 0.02 0.00 0.00 54.13 53.76 3lig s LEU 512 Cb -0.16 -1.72 -0.01 0.00 0.02 0.00 0.00 46.19 44.32 3lig s LEU 512 CO 0.03 0.12 -0.10 -1.61 0.02 0.00 0.00 176.35 174.81 3lig s GLU 513 N 0.64 3.36 0.06 1.70 2.02 -0.23 -1.66 118.70 124.58 3lig s GLU 513 Ca -0.04 -0.67 0.06 0.00 0.02 0.00 0.00 54.97 54.34 3lig s GLU 513 Cb -0.15 -2.77 -0.04 0.00 0.10 0.00 0.00 34.13 31.28 3lig s GLU 513 CO 0.02 0.04 -0.10 -0.06 0.02 0.00 0.00 175.26 175.18 3lig s PHE 514 N 0.82 2.76 0.53 1.61 0.08 -1.26 -1.71 117.98 120.81 3lig s PHE 514 Ca -0.04 -0.13 -0.13 0.00 0.12 0.00 0.00 56.93 56.75 3lig s PHE 514 Cb -0.15 -1.50 -0.06 0.00 -0.57 0.00 0.00 43.02 40.74 3lig s PHE 514 CO 0.01 0.37 0.96 -1.25 -0.10 0.00 0.00 175.22 175.21 3lig s PRO 515 N -1.79 3.78 0.38 0.24 0.04 -1.26 -4.23 135.00 132.16 3lig s PRO 515 Ca 0.19 0.76 0.17 0.00 0.04 0.00 0.00 61.00 62.16 3lig s PRO 515 Cb -0.11 -2.17 1.09 0.00 0.04 0.00 0.00 34.50 33.35 3lig s PRO 515 CO 0.10 -0.33 1.73 0.00 0.04 0.00 0.00 177.00 178.54 3lig h ALA 516 N 0.50 2.16 0.00 8.56 0.00 -1.97 0.15 119.26 128.66 3lig h ALA 516 Ca -0.46 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3lig h ALA 516 Cb 1.19 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3lig h ALA 516 CO 0.62 -0.63 0.00 0.66 0.00 0.00 0.00 179.25 179.90 3lig h SER 517 N 0.39 0.00 1.26 0.00 4.64 -2.01 -2.99 113.55 114.84 3lig h SER 517 Ca 0.65 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.95 3lig h SER 517 Cb 1.59 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.67 3lig h SER 517 CO -0.39 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 175.50 3lig h ALA 518 N 2.06 0.99 -0.72 5.18 0.00 -1.32 -3.31 119.26 122.14 3lig h ALA 518 Ca 0.00 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.93 3lig h ALA 518 Cb 0.16 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 3lig h ALA 518 CO 0.00 0.10 0.37 0.00 0.00 0.00 0.00 179.25 179.72 3lig h ARG 519 N 0.00 0.61 -0.01 0.00 3.08 -1.71 -1.73 114.38 114.63 3lig h ARG 519 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3lig h ARG 519 Cb 0.73 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3lig h ARG 519 CO 0.01 0.41 -0.10 -1.13 -1.07 0.00 0.00 179.97 178.09 3lig n SER 520 N -4.84 0.91 -4.93 7.04 3.41 -1.24 -4.54 113.62 109.42 3lig n SER 520 Ca 0.11 -1.02 -0.25 0.00 -0.26 0.00 0.00 58.87 57.45 3lig n SER 520 Cb 0.27 0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.24 3lig n SER 520 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3lig s SER 521 N -2.27 5.99 -0.06 4.04 1.04 -0.65 -4.96 113.70 116.84 3lig s SER 521 Ca 0.33 0.58 0.01 0.00 0.48 0.00 0.00 55.95 57.36 3lig s SER 521 Cb 0.20 -1.87 0.13 0.00 0.10 0.00 0.00 66.02 64.59 3lig s SER 521 CO 0.43 -0.66 0.97 -2.65 0.98 0.00 0.00 173.24 172.30 3lig n PRO 522 N -2.18 1.42 -1.72 4.02 -0.02 -1.26 -4.05 135.00 131.21 3lig n PRO 522 Ca 0.01 -0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 60.53 3lig n PRO 522 Cb 0.57 -1.39 -0.00 0.00 -0.02 0.00 0.00 33.50 32.65 3lig n PRO 522 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3lig n LEU 523 N 0.17 3.95 -3.63 2.45 0.00 -1.24 -4.79 117.00 113.90 3lig n LEU 523 Ca 0.08 1.21 -0.18 0.00 0.00 0.00 0.00 56.01 57.12 3lig n LEU 523 Cb 0.58 -1.53 -0.15 0.00 0.00 0.00 0.00 43.42 42.32 3lig n LEU 523 CO 0.08 -0.27 -0.24 -1.10 0.00 0.00 0.00 177.39 175.86 3lig s GLN 524 N -1.94 0.06 -0.01 1.96 -0.21 -1.26 -3.39 119.66 114.88 3lig s GLN 524 Ca 0.55 0.43 0.01 0.00 0.02 0.00 0.00 55.36 56.37 3lig s GLN 524 Cb -0.54 -0.59 0.00 0.00 1.00 0.00 0.00 33.01 32.88 3lig s GLN 524 CO 0.63 -0.40 -0.02 -1.12 -2.12 0.00 0.00 175.29 172.25 3lig s SER 525 N 2.28 0.32 0.00 5.90 0.01 -0.90 -1.68 113.70 119.64 3lig s SER 525 Ca 0.04 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.25 3lig s SER 525 Cb -0.13 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.04 3lig s SER 525 CO -0.07 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.20 3lig n GLY 526 N 3.18 -0.43 3.28 3.44 0.00 0.02 -0.43 105.19 114.25 3lig n GLY 526 Ca -0.15 0.38 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 3lig n GLY 526 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3lig s PHE 527 N 0.00 -0.09 -0.07 1.61 0.08 -0.08 -1.39 117.98 118.04 3lig s PHE 527 Ca 0.00 -0.25 0.02 0.00 0.12 0.00 0.00 56.93 56.82 3lig s PHE 527 Cb 0.00 0.15 -0.02 0.00 -0.57 0.00 0.00 43.02 42.58 3lig s PHE 527 CO 0.00 -0.64 -0.13 -1.21 -0.10 0.00 0.00 175.22 173.14 3lig s GLU 528 N -3.75 2.76 0.30 0.44 2.02 0.26 -0.94 118.70 119.79 3lig s GLU 528 Ca 0.03 -0.67 0.03 0.00 0.02 0.00 0.00 54.97 54.38 3lig s GLU 528 Cb 0.03 -2.48 -0.05 0.00 0.10 0.00 0.00 34.13 31.73 3lig s GLU 528 CO -0.11 0.53 0.09 0.96 0.02 0.00 0.00 175.26 176.74 3lig s ILE 529 N -0.47 0.80 -1.46 -1.63 -4.36 0.18 -0.98 121.20 113.26 3lig s ILE 529 Ca 0.06 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.42 3lig s ILE 529 Cb -0.12 -2.67 0.03 0.00 1.25 0.00 0.00 42.46 40.94 3lig s ILE 529 CO 0.02 0.00 0.45 0.18 0.24 0.00 0.00 174.94 175.83 3lig n LEU 530 N -0.59 -2.06 -4.52 0.37 4.77 -1.11 -1.00 117.00 112.86 3lig n LEU 530 Ca -0.01 -1.02 -0.29 0.00 -0.03 0.00 0.00 56.01 54.65 3lig n LEU 530 Cb 0.66 -2.16 -0.11 0.00 -2.33 0.00 0.00 43.42 39.48 3lig n LEU 530 CO 0.39 0.41 -0.47 0.00 -1.33 0.00 0.00 177.39 176.40 3lig s ALA 531 N -3.88 2.77 0.00 -1.18 0.00 -0.89 -3.84 121.76 114.74 3lig s ALA 531 Ca 0.13 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.76 3lig s ALA 531 Cb -0.07 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.33 3lig s ALA 531 CO 0.90 0.60 0.00 -1.13 0.00 0.00 0.00 175.76 176.13 3lig n SER 532 N 0.73 0.00 -0.16 0.00 3.41 0.23 -1.35 113.62 116.48 3lig n SER 532 Ca -0.15 -0.44 -0.10 0.00 -0.26 0.00 0.00 58.87 57.93 3lig n SER 532 Cb 0.53 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.51 3lig n SER 532 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3lig h GLU 533 N 0.00 0.97 -0.12 4.33 4.81 -1.99 -3.25 114.58 119.32 3lig h GLU 533 Ca 0.00 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 3lig h GLU 533 Cb 0.00 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3lig h GLU 533 CO 0.00 1.04 0.00 1.28 -0.73 0.00 0.00 179.01 180.60 3lig n LEU 534 N -4.13 2.91 -3.74 1.64 4.77 -1.26 -4.96 117.00 112.22 3lig n LEU 534 Ca 0.01 -1.06 -0.12 0.00 -0.03 0.00 0.00 56.01 54.81 3lig n LEU 534 Cb 0.42 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.37 3lig n LEU 534 CO 0.45 0.53 0.05 -1.61 -1.33 0.00 0.00 177.39 175.48 3lig s GLU 535 N -1.87 0.78 -0.20 3.23 2.02 -1.23 -4.49 118.70 116.94 3lig s GLU 535 Ca 0.32 -0.38 -0.29 0.00 0.02 0.00 0.00 54.97 54.64 3lig s GLU 535 Cb 0.21 0.34 0.15 0.00 0.10 0.00 0.00 34.13 34.92 3lig s GLU 535 CO 0.31 -0.24 1.11 -0.98 0.02 0.00 0.00 175.26 175.47 3lig s ARG 536 N -2.13 0.43 -0.10 1.61 1.70 -0.23 -0.60 118.95 119.63 3lig s ARG 536 Ca -0.08 0.13 0.02 0.00 -0.47 0.00 0.00 55.73 55.33 3lig s ARG 536 Cb -0.02 0.20 0.02 0.00 -0.57 0.00 0.00 34.95 34.58 3lig s ARG 536 CO -0.01 -0.13 -0.14 0.99 -1.08 0.00 0.00 175.30 174.94 3lig s THR 537 N -0.97 1.39 -0.10 4.99 2.01 -0.17 -1.67 115.64 121.12 3lig s THR 537 Ca 0.02 -0.58 -0.04 0.00 0.31 0.00 0.00 61.69 61.40 3lig s THR 537 Cb -0.01 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 3lig s THR 537 CO -0.02 0.42 0.05 0.00 -0.69 0.00 0.00 174.62 174.38 3lig s ALA 538 N 1.01 3.48 -0.14 7.40 0.00 -0.90 0.47 121.76 133.08 3lig s ALA 538 Ca -0.07 -0.75 -0.01 0.00 0.00 0.00 0.00 51.96 51.13 3lig s ALA 538 Cb -0.15 -1.66 0.04 0.00 0.00 0.00 0.00 23.12 21.35 3lig s ALA 538 CO -0.01 0.57 -0.01 0.42 0.00 0.00 0.00 175.76 176.73 3lig s ILE 539 N -0.85 0.67 0.10 0.00 1.01 -0.11 -0.05 121.20 121.97 3lig s ILE 539 Ca 0.13 -0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.35 3lig s ILE 539 Cb -0.12 -0.93 0.01 0.00 0.01 0.00 0.00 42.46 41.43 3lig s ILE 539 CO 0.03 0.09 0.25 -0.72 0.00 0.00 0.00 174.94 174.59 3lig s TYR 540 N 1.82 0.07 0.02 3.97 -0.85 -0.58 -0.90 117.35 120.91 3lig s TYR 540 Ca 0.02 -0.47 -0.10 0.00 -0.52 0.00 0.00 57.07 56.00 3lig s TYR 540 Cb -0.15 0.03 -0.05 0.00 0.38 0.00 0.00 41.96 42.17 3lig s TYR 540 CO -0.07 -0.59 0.35 -0.47 -1.52 0.00 0.00 175.55 173.25 3lig s TYR 541 N -3.85 3.63 -0.09 -3.49 5.04 0.43 -0.50 117.35 118.52 3lig s TYR 541 Ca 0.05 0.79 -0.00 0.00 -2.44 0.00 0.00 57.07 55.46 3lig s TYR 541 Cb 0.04 -2.15 0.02 0.00 0.35 0.00 0.00 41.96 40.23 3lig s TYR 541 CO -0.11 0.59 -0.06 -1.14 -1.34 0.00 0.00 175.55 173.50 3lig s GLN 542 N -1.55 1.29 0.12 4.97 0.74 0.35 -2.11 119.66 123.47 3lig s GLN 542 Ca 0.28 -0.18 -0.00 0.00 0.05 0.00 0.00 55.36 55.51 3lig s GLN 542 Cb -0.14 -1.38 -0.13 0.00 1.10 0.00 0.00 33.01 32.45 3lig s GLN 542 CO 0.15 -0.24 1.28 0.74 -0.55 0.00 0.00 175.29 176.67 3lig h PHE 543 N 8.03 0.37 -1.10 1.67 0.04 -1.81 0.45 116.94 124.59 3lig h PHE 543 Ca -0.28 -0.23 0.38 0.00 2.80 0.00 0.00 57.97 60.64 3lig h PHE 543 Cb 1.14 -0.03 -0.15 0.00 2.20 0.00 0.00 35.95 39.11 3lig h PHE 543 CO 0.48 1.10 0.65 0.66 -0.60 0.00 0.00 178.31 180.60 3lig h SER 544 N 0.10 0.38 0.00 2.17 4.64 -1.80 -1.14 113.55 117.91 3lig h SER 544 Ca -0.07 0.19 -0.14 0.00 -0.47 0.00 0.00 61.79 61.30 3lig h SER 544 Cb 1.70 0.17 -0.30 0.00 -0.31 0.00 0.00 62.40 63.66 3lig h SER 544 CO 0.16 -0.23 -0.90 -0.46 -0.87 0.00 0.00 176.83 174.53 3lig n ASN 545 N -4.99 1.02 -3.63 4.97 6.94 -1.25 -5.04 115.26 113.29 3lig n ASN 545 Ca 0.35 -2.26 -0.23 0.00 -0.02 0.00 0.00 54.58 52.41 3lig n ASN 545 Cb 1.20 -0.32 0.00 0.00 -2.36 0.00 0.00 39.78 38.30 3lig n ASN 545 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3lig n GLU 546 N 0.21 -0.88 -4.03 -3.83 1.02 -0.43 -4.78 120.64 107.92 3lig n GLU 546 Ca 0.07 0.31 -0.10 0.00 -0.02 0.00 0.00 57.16 57.42 3lig n GLU 546 Cb 1.04 -1.54 -0.11 0.00 -0.02 0.00 0.00 31.44 30.81 3lig n GLU 546 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3lig s SER 547 N -3.13 0.52 -0.17 1.62 0.01 0.04 -0.18 113.70 112.41 3lig s SER 547 Ca 0.12 -0.59 -0.12 0.00 1.31 0.00 0.00 55.95 56.67 3lig s SER 547 Cb -0.07 0.09 -0.05 0.00 0.21 0.00 0.00 66.02 66.20 3lig s SER 547 CO 0.66 -0.30 0.23 -0.76 0.41 0.00 0.00 173.24 173.48 3lig s LEU 548 N -1.72 4.25 0.03 2.44 1.43 0.13 -0.49 118.68 124.75 3lig s LEU 548 Ca -0.10 0.42 0.08 0.00 -1.03 0.00 0.00 54.13 53.49 3lig s LEU 548 Cb -0.08 -2.26 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 3lig s LEU 548 CO -0.02 0.16 -0.22 -0.69 0.23 0.00 0.00 176.35 175.81 3lig s VAL 549 N 0.25 1.77 -0.32 -1.59 1.01 0.35 -0.86 120.40 121.02 3lig s VAL 549 Ca 0.14 -1.16 0.03 0.00 0.00 0.00 0.00 61.98 60.98 3lig s VAL 549 Cb -0.12 -1.52 0.09 0.00 0.00 0.00 0.00 36.38 34.83 3lig s VAL 549 CO 0.02 0.31 0.02 -0.69 0.00 0.00 0.00 175.10 174.76 3lig s VAL 550 N -0.72 2.10 -0.40 2.92 1.01 0.49 -1.52 120.40 124.27 3lig s VAL 550 Ca 0.09 -2.07 -0.28 0.00 0.00 0.00 0.00 61.98 59.72 3lig s VAL 550 Cb -0.09 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.84 3lig s VAL 550 CO 0.01 -0.47 1.03 -0.62 0.00 0.00 0.00 175.10 175.05 3lig s ASP 551 N 1.03 6.70 -0.11 3.32 -1.08 0.92 -2.03 116.67 125.42 3lig s ASP 551 Ca 0.06 0.59 0.15 0.00 -0.52 0.00 0.00 52.55 52.83 3lig s ASP 551 Cb -0.19 -2.51 0.48 0.00 -1.46 0.00 0.00 42.92 39.24 3lig s ASP 551 CO -0.09 -1.02 1.40 0.54 0.52 0.00 0.00 175.17 176.52 3lig n ARG 552 N 7.20 3.07 0.30 4.34 1.74 -1.26 -2.11 116.66 129.93 3lig n ARG 552 Ca 0.10 -2.57 0.16 0.00 -0.77 0.00 0.00 57.85 54.76 3lig n ARG 552 Cb 0.48 -1.66 0.94 0.00 -1.02 0.00 0.00 32.46 31.20 3lig n ARG 552 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3lig h SER 553 N 2.22 0.00 0.00 0.55 4.64 -1.87 -2.71 113.55 116.37 3lig h SER 553 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3lig h SER 553 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3lig h SER 553 CO 0.15 0.02 -0.02 0.00 -0.87 0.00 0.00 176.83 176.11 3lig n GLN 554 N -3.69 2.20 -0.19 4.77 6.02 -1.26 -4.83 117.38 120.39 3lig n GLN 554 Ca -0.03 -1.57 -0.04 0.00 -0.01 0.00 0.00 57.00 55.35 3lig n GLN 554 Cb 0.10 -1.02 0.06 0.00 1.02 0.00 0.00 30.24 30.41 3lig n GLN 554 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 3lig h THR 555 N 0.62 1.02 -3.20 5.09 2.02 -0.98 -0.60 112.91 116.88 3lig h THR 555 Ca 0.00 -0.22 -0.59 0.00 0.77 0.00 0.00 66.41 66.37 3lig h THR 555 Cb 0.69 0.33 -0.35 0.00 -1.74 0.00 0.00 68.15 67.08 3lig h THR 555 CO 0.00 0.12 -0.83 -0.55 0.37 0.00 0.00 175.52 174.62 3lig s SER 556 N -5.59 2.55 0.55 4.18 0.15 -1.26 -4.08 113.70 110.19 3lig s SER 556 Ca -0.13 -0.45 0.37 0.00 0.70 0.00 0.00 55.95 56.44 3lig s SER 556 Cb 0.14 -1.13 1.92 0.00 -1.71 0.00 0.00 66.02 65.24 3lig s SER 556 CO 0.75 -0.02 2.12 0.00 1.20 0.00 0.00 173.24 177.29 3lig h ALA 557 N 7.71 1.00 -0.00 5.45 0.00 -1.83 -1.33 119.26 130.26 3lig h ALA 557 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3lig h ALA 557 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3lig h ALA 557 CO 0.50 0.00 -0.51 0.00 0.00 0.00 0.00 179.25 179.25 3lig n ALA 558 N -2.00 3.57 -0.12 0.00 0.00 -1.26 -4.40 120.51 116.30 3lig n ALA 558 Ca -0.02 -0.37 -0.10 0.00 0.00 0.00 0.00 53.44 52.95 3lig n ALA 558 Cb 0.11 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 3lig n ALA 558 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lig h ALA 559 N 3.06 0.48 -1.02 0.00 0.00 -1.48 -2.63 119.26 117.67 3lig h ALA 559 Ca 0.00 -0.18 0.24 0.00 0.00 0.00 0.00 54.91 54.97 3lig h ALA 559 Cb 0.50 -0.14 -0.11 0.00 0.00 0.00 0.00 17.79 18.04 3lig h ALA 559 CO 0.00 0.15 0.62 -1.35 0.00 0.00 0.00 179.25 178.67 3lig h PRO 560 N 0.44 0.53 -0.05 0.00 0.11 -1.77 -1.64 132.00 129.61 3lig h PRO 560 Ca 0.11 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3lig h PRO 560 Cb 0.30 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.29 3lig h PRO 560 CO 0.00 0.35 0.00 0.25 -0.21 0.00 0.00 178.00 178.39 3lig n THR 561 N -4.78 0.05 -3.61 -1.15 -2.24 -1.22 -4.73 114.28 96.60 3lig n THR 561 Ca 0.26 -0.52 -0.29 0.00 -2.27 0.00 0.00 64.05 61.22 3lig n THR 561 Cb 0.76 1.36 -0.12 0.00 -2.10 0.00 0.00 70.33 70.23 3lig n THR 561 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3lig s ASN 562 N -1.59 3.25 0.61 3.42 -0.87 -0.62 -4.73 114.94 114.42 3lig s ASN 562 Ca 0.24 -2.63 0.31 0.00 -1.57 0.00 0.00 52.86 49.20 3lig s ASN 562 Cb 0.16 -0.82 1.69 0.00 -0.02 0.00 0.00 41.25 42.27 3lig s ASN 562 CO 0.25 -0.26 2.04 1.55 -2.57 0.00 0.00 177.10 178.11 3lig h PRO 563 N 6.59 0.00 0.00 -0.60 0.13 -1.78 -1.93 132.00 134.40 3lig h PRO 563 Ca 0.05 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3lig h PRO 563 Cb 0.93 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.06 3lig h PRO 563 CO 0.42 0.00 -0.01 0.78 -0.23 0.00 0.00 178.00 178.96 3lig h GLY 564 N 0.00 0.00 -7.36 1.56 0.00 -1.67 -3.33 103.07 92.27 3lig h GLY 564 Ca 0.08 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.75 3lig h GLY 564 CO -0.00 0.00 0.93 1.08 0.00 0.00 0.00 176.54 178.55 3lig s LEU 565 N -6.78 4.64 0.36 3.11 1.02 -0.73 -4.66 118.68 115.64 3lig s LEU 565 Ca -0.04 -1.77 -0.28 0.00 0.02 0.00 0.00 54.13 52.06 3lig s LEU 565 Cb 0.13 -2.44 -0.12 0.00 0.02 0.00 0.00 46.19 43.79 3lig s LEU 565 CO 0.48 -1.21 1.35 -0.90 0.02 0.00 0.00 176.35 176.09 3lig n ASP 566 N 7.19 3.06 -0.09 2.29 5.75 -1.25 -4.87 116.55 128.64 3lig n ASP 566 Ca 0.22 1.20 0.01 0.00 -0.01 0.00 0.00 54.79 56.21 3lig n ASP 566 Cb 0.49 -1.53 0.01 0.00 -1.03 0.00 0.00 41.12 39.07 3lig n ASP 566 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3lig n SER 567 N 0.61 0.76 -4.75 -1.12 3.41 -1.26 -4.99 113.62 106.28 3lig n SER 567 Ca 0.04 -1.62 -0.34 0.00 -0.26 0.00 0.00 58.87 56.69 3lig n SER 567 Cb 0.37 -0.07 0.06 0.00 -0.26 0.00 0.00 64.21 64.31 3lig n SER 567 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3lig s PHE 568 N -0.54 2.43 0.22 7.33 -0.12 -1.26 -3.38 117.98 122.66 3lig s PHE 568 Ca 0.03 1.57 -0.30 0.00 -0.05 0.00 0.00 56.93 58.18 3lig s PHE 568 Cb 0.03 -3.28 -0.09 0.00 -0.63 0.00 0.00 43.02 39.05 3lig s PHE 568 CO 0.00 -1.99 1.34 0.99 -0.05 0.00 0.00 175.22 175.51 3lig s THR 569 N -2.19 3.04 0.07 -4.49 2.01 -1.26 -4.53 115.64 108.29 3lig s THR 569 Ca 0.70 0.88 0.03 0.00 0.31 0.00 0.00 61.69 63.61 3lig s THR 569 Cb -0.24 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 3lig s THR 569 CO 0.42 0.14 0.04 -1.61 -0.69 0.00 0.00 174.62 172.92 3lig s GLU 570 N -0.35 2.75 -0.07 4.92 0.41 -0.86 -4.98 118.70 120.51 3lig s GLU 570 Ca 0.56 -0.73 -0.31 0.00 -0.41 0.00 0.00 54.97 54.08 3lig s GLU 570 Cb -0.38 -2.66 0.12 0.00 -1.78 0.00 0.00 34.13 29.43 3lig s GLU 570 CO 0.41 0.57 1.04 -1.54 -0.49 0.00 0.00 175.26 175.24 3lig s SER 571 N -2.23 -0.25 -0.02 -0.19 1.04 -1.26 -0.38 113.70 110.41 3lig s SER 571 Ca 0.26 -0.03 -0.10 0.00 0.48 0.00 0.00 55.95 56.56 3lig s SER 571 Cb -0.12 0.28 0.01 0.00 0.10 0.00 0.00 66.02 66.30 3lig s SER 571 CO 0.19 -0.46 0.22 -0.83 0.98 0.00 0.00 173.24 173.34 3lig s GLY 572 N -2.40 -0.07 0.14 7.32 0.00 -0.03 -4.82 107.32 107.45 3lig s GLY 572 Ca 0.07 0.19 -0.30 0.00 0.00 0.00 0.00 44.72 44.68 3lig s GLY 572 CO -0.06 0.03 1.12 0.54 0.00 0.00 0.00 173.10 174.73 3lig s LYS 573 N -1.10 4.55 -0.25 2.90 -0.14 -1.26 0.20 119.74 124.63 3lig s LYS 573 Ca -0.12 1.72 -0.02 0.00 -1.36 0.00 0.00 55.97 56.20 3lig s LYS 573 Cb -0.06 -3.30 0.12 0.00 -1.68 0.00 0.00 37.83 32.91 3lig s LYS 573 CO 0.02 -0.02 0.29 -1.17 -0.76 0.00 0.00 175.35 173.71 3lig s LEU 574 N 0.05 -0.28 -0.15 3.17 2.96 0.74 -4.87 118.68 120.30 3lig s LEU 574 Ca 0.52 -0.38 -0.23 0.00 -0.22 0.00 0.00 54.13 53.83 3lig s LEU 574 Cb -0.29 0.59 -0.03 0.00 0.50 0.00 0.00 46.19 46.96 3lig s LEU 574 CO 0.33 -0.35 0.70 -0.60 -1.32 0.00 0.00 176.35 175.12 3lig s ARG 575 N 2.39 4.30 -0.48 1.98 3.52 -1.26 -4.42 118.95 124.97 3lig s ARG 575 Ca 0.09 0.80 -0.18 0.00 -0.13 0.00 0.00 55.73 56.32 3lig s ARG 575 Cb -0.15 -3.54 0.06 0.00 -1.56 0.00 0.00 34.95 29.76 3lig s ARG 575 CO -0.22 -0.17 0.53 -0.51 -0.81 0.00 0.00 175.30 174.12 3lig s LEU 576 N 1.63 5.15 0.90 -0.88 1.43 -1.26 -5.05 118.68 120.60 3lig s LEU 576 Ca 0.34 -1.00 -0.12 0.00 -1.03 0.00 0.00 54.13 52.32 3lig s LEU 576 Cb -0.17 -2.36 0.13 0.00 0.03 0.00 0.00 46.19 43.82 3lig s LEU 576 CO 0.13 -0.77 1.09 -0.36 0.23 0.00 0.00 176.35 176.67 3lig s PHE 577 N 2.25 2.35 -0.10 0.29 0.08 -1.26 -4.52 117.98 117.08 3lig s PHE 577 Ca 0.11 1.21 -0.23 0.00 0.12 0.00 0.00 56.93 58.15 3lig s PHE 577 Cb -0.20 -3.17 -0.03 0.00 -0.57 0.00 0.00 43.02 39.04 3lig s PHE 577 CO 0.11 -2.38 0.68 -0.51 -0.10 0.00 0.00 175.22 173.02 3lig s ASP 578 N -3.48 6.91 0.24 1.36 1.01 -1.26 0.01 116.67 121.46 3lig s ASP 578 Ca 0.63 1.10 0.03 0.00 0.71 0.00 0.00 52.55 55.02 3lig s ASP 578 Cb -0.18 -2.39 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 3lig s ASP 578 CO 0.57 -0.16 0.03 0.68 0.21 0.00 0.00 175.17 176.50 3lig s VAL 579 N 1.08 0.90 -0.30 -1.27 -7.23 -0.31 -0.08 120.40 113.19 3lig s VAL 579 Ca 0.35 -2.01 -0.05 0.00 -1.81 0.00 0.00 61.98 58.46 3lig s VAL 579 Cb -0.17 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.35 3lig s VAL 579 CO 0.16 -0.22 0.05 -0.63 -0.31 0.00 0.00 175.10 174.15 3lig s ILE 580 N -3.51 3.58 -0.17 -0.62 -1.09 -0.11 -0.83 121.20 118.45 3lig s ILE 580 Ca 0.31 -0.99 -0.15 0.00 -2.23 0.00 0.00 60.65 57.60 3lig s ILE 580 Cb 0.07 -2.93 -0.06 0.00 -1.58 0.00 0.00 42.46 37.95 3lig s ILE 580 CO 0.10 -0.01 -0.31 1.21 -1.23 0.00 0.00 174.94 174.70 3lig n GLU 581 N 4.78 0.48 -1.90 2.79 2.13 -0.36 -4.72 120.64 123.84 3lig n GLU 581 Ca -0.14 0.19 -0.26 0.00 0.66 0.00 0.00 57.16 57.61 3lig n GLU 581 Cb 0.46 -1.33 0.03 0.00 0.27 0.00 0.00 31.44 30.87 3lig n GLU 581 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3lig n ASN 582 N -4.30 5.44 0.00 4.31 3.02 -1.26 -4.80 115.26 117.67 3lig n ASN 582 Ca -0.19 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.60 3lig n ASN 582 Cb 0.53 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 3lig n ASN 582 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3lig n GLY 583 N -0.75 1.86 3.68 7.41 0.00 -1.26 -5.01 105.19 111.12 3lig n GLY 583 Ca 0.47 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.18 3lig n GLY 583 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3lig s GLN 584 N -0.47 2.65 0.14 1.61 0.74 -1.26 -5.06 119.66 118.01 3lig s GLN 584 Ca 0.00 -0.73 -0.24 0.00 0.05 0.00 0.00 55.36 54.44 3lig s GLN 584 Cb 0.00 -2.59 -0.08 0.00 1.10 0.00 0.00 33.01 31.44 3lig s GLN 584 CO 0.00 0.58 0.72 -2.00 -0.55 0.00 0.00 175.29 174.05 3lig s GLU 585 N -1.90 4.48 0.20 1.67 2.12 -1.26 -1.22 118.70 122.79 3lig s GLU 585 Ca 0.22 1.05 -0.10 0.00 0.36 0.00 0.00 54.97 56.50 3lig s GLU 585 Cb -0.12 -3.26 -0.01 0.00 0.26 0.00 0.00 34.13 31.01 3lig s GLU 585 CO 0.14 0.58 0.36 1.14 -0.54 0.00 0.00 175.26 176.94 3lig s GLN 586 N -1.11 1.33 0.07 4.30 -2.07 -0.01 -4.96 119.66 117.21 3lig s GLN 586 Ca 0.34 -1.24 -0.28 0.00 -1.82 0.00 0.00 55.36 52.36 3lig s GLN 586 Cb -0.22 0.41 -0.05 0.00 -1.09 0.00 0.00 33.01 32.06 3lig s GLN 586 CO 0.24 -0.52 0.89 0.08 -1.32 0.00 0.00 175.29 174.67 3lig s VAL 587 N -4.01 4.64 0.28 3.63 1.01 -1.26 -1.16 120.40 123.54 3lig s VAL 587 Ca 0.22 1.90 -0.28 0.00 0.00 0.00 0.00 61.98 63.81 3lig s VAL 587 Cb 0.02 -4.24 -0.14 0.00 0.00 0.00 0.00 36.38 32.01 3lig s VAL 587 CO 0.05 0.31 0.99 1.21 0.00 0.00 0.00 175.10 177.66 3lig n GLU 588 N 2.96 1.26 -2.28 2.72 2.13 0.10 -4.70 120.64 122.84 3lig n GLU 588 Ca 0.01 0.44 -0.41 0.00 0.66 0.00 0.00 57.16 57.86 3lig n GLU 588 Cb 0.50 -1.80 -0.03 0.00 0.27 0.00 0.00 31.44 30.38 3lig n GLU 588 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3lig s THR 589 N -1.00 3.37 -0.48 6.31 2.01 -1.26 -4.80 115.64 119.78 3lig s THR 589 Ca 0.60 1.12 -0.24 0.00 0.31 0.00 0.00 61.69 63.48 3lig s THR 589 Cb -0.72 -3.72 0.03 0.00 0.01 0.00 0.00 72.50 68.10 3lig s THR 589 CO 0.59 0.17 0.88 -0.22 -0.69 0.00 0.00 174.62 175.35 3lig s LEU 590 N -0.09 4.13 -0.52 4.42 2.96 -0.67 -4.93 118.68 123.99 3lig s LEU 590 Ca 0.56 -0.11 -0.16 0.00 -0.22 0.00 0.00 54.13 54.20 3lig s LEU 590 Cb -0.35 -3.01 0.12 0.00 0.50 0.00 0.00 46.19 43.45 3lig s LEU 590 CO 0.37 -1.05 0.47 -0.62 -1.32 0.00 0.00 176.35 174.20 3lig s ASP 591 N 2.39 6.16 -0.04 3.68 2.15 -1.26 -0.90 116.67 128.84 3lig s ASP 591 Ca 0.32 -1.70 -0.06 0.00 0.43 0.00 0.00 52.55 51.55 3lig s ASP 591 Cb -0.12 -2.20 -0.04 0.00 -0.30 0.00 0.00 42.92 40.26 3lig s ASP 591 CO 0.23 -0.81 0.21 -0.76 -0.17 0.00 0.00 175.17 173.87 3lig s LEU 592 N 1.60 4.38 -0.17 -1.34 1.43 0.47 -1.61 118.68 123.45 3lig s LEU 592 Ca 0.03 0.49 -0.04 0.00 -1.03 0.00 0.00 54.13 53.58 3lig s LEU 592 Cb -0.29 -2.44 0.06 0.00 0.03 0.00 0.00 46.19 43.55 3lig s LEU 592 CO 0.04 0.31 0.06 -0.89 0.23 0.00 0.00 176.35 176.10 3lig s THR 593 N -1.20 0.19 -0.23 5.49 2.01 -0.47 -2.03 115.64 119.40 3lig s THR 593 Ca 0.23 -0.30 -0.03 0.00 0.31 0.00 0.00 61.69 61.90 3lig s THR 593 Cb -0.13 -0.75 0.01 0.00 0.01 0.00 0.00 72.50 71.64 3lig s THR 593 CO 0.12 -0.21 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.09 3lig s VAL 594 N 2.01 3.06 -0.27 3.82 1.01 0.15 -0.57 120.40 129.61 3lig s VAL 594 Ca 0.01 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 3lig s VAL 594 Cb -0.16 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 3lig s VAL 594 CO -0.08 0.31 0.18 -0.69 0.00 0.00 0.00 175.10 174.82 3lig s VAL 595 N 1.39 5.24 -0.32 2.92 1.01 -0.24 0.05 120.40 130.45 3lig s VAL 595 Ca 0.03 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 3lig s VAL 595 Cb -0.15 -3.49 0.06 0.00 0.00 0.00 0.00 36.38 32.80 3lig s VAL 595 CO -0.04 0.27 0.04 -0.69 0.00 0.00 0.00 175.10 174.67 3lig s VAL 596 N 1.68 3.02 -0.85 2.92 1.01 0.26 -1.33 120.40 127.10 3lig s VAL 596 Ca 0.07 -1.56 -0.01 0.00 0.00 0.00 0.00 61.98 60.49 3lig s VAL 596 Cb -0.16 -2.82 0.21 0.00 0.00 0.00 0.00 36.38 33.61 3lig s VAL 596 CO 0.10 -0.24 0.72 -0.62 0.00 0.00 0.00 175.10 175.06 3lig s ASP 597 N 1.35 5.79 1.92 3.32 -1.08 -0.16 -1.30 116.67 126.50 3lig s ASP 597 Ca -0.02 -3.72 0.00 0.00 -0.52 0.00 0.00 52.55 48.30 3lig s ASP 597 Cb -0.20 -1.86 0.00 0.00 -1.46 0.00 0.00 42.92 39.39 3lig s ASP 597 CO -0.02 -0.17 0.00 -3.20 0.52 0.00 0.00 175.17 172.30 3lig n ASN 598 N 2.31 0.00 0.18 -0.34 5.15 0.81 -1.82 115.26 121.55 3lig n ASN 598 Ca 0.21 0.00 0.14 0.00 -0.60 0.00 0.00 54.58 54.32 3lig n ASN 598 Cb 0.37 0.00 0.50 0.00 -0.53 0.00 0.00 39.78 40.12 3lig n ASN 598 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3lig h ALA 599 N -0.92 1.00 -1.89 5.20 0.00 -1.73 -3.43 119.26 117.50 3lig h ALA 599 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 3lig h ALA 599 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.70 3lig h ALA 599 CO 0.00 0.00 0.68 0.08 0.00 0.00 0.00 179.25 180.01 3lig s VAL 600 N -3.37 4.42 -0.14 0.00 1.01 -0.76 0.02 120.40 121.58 3lig s VAL 600 Ca 0.05 0.96 -0.01 0.00 0.00 0.00 0.00 61.98 62.98 3lig s VAL 600 Cb 0.09 -4.46 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 3lig s VAL 600 CO 0.50 -0.83 -0.11 -0.69 0.00 0.00 0.00 175.10 173.97 3lig s VAL 601 N 3.90 3.22 -0.18 2.92 1.01 -0.71 -0.99 120.40 129.58 3lig s VAL 601 Ca 0.40 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.79 3lig s VAL 601 Cb -0.10 -2.38 0.04 0.00 0.00 0.00 0.00 36.38 33.95 3lig s VAL 601 CO 0.26 0.51 -0.09 -1.61 0.00 0.00 0.00 175.10 174.18 3lig s GLU 602 N 0.46 1.81 -0.31 2.72 2.02 -0.44 -1.43 118.70 123.53 3lig s GLU 602 Ca -0.08 -0.66 -0.12 0.00 0.02 0.00 0.00 54.97 54.13 3lig s GLU 602 Cb -0.15 -2.19 -0.03 0.00 0.10 0.00 0.00 34.13 31.85 3lig s GLU 602 CO 0.04 -0.40 0.21 0.08 0.02 0.00 0.00 175.26 175.21 3lig s VAL 603 N 1.51 5.20 0.03 2.63 1.01 0.76 -1.08 120.40 130.46 3lig s VAL 603 Ca 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 61.94 3lig s VAL 603 Cb -0.15 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3lig s VAL 603 CO -0.08 0.11 -0.06 -0.31 0.00 0.00 0.00 175.10 174.76 3lig s TYR 604 N 1.72 2.90 -0.10 5.22 2.02 0.27 -0.69 117.35 128.69 3lig s TYR 604 Ca 0.06 -0.04 -0.06 0.00 -0.37 0.00 0.00 57.07 56.65 3lig s TYR 604 Cb -0.17 -1.58 0.04 0.00 -0.40 0.00 0.00 41.96 39.85 3lig s TYR 604 CO 0.10 0.41 0.24 0.00 -1.57 0.00 0.00 175.55 174.72 3lig s ALA 605 N -1.09 -0.56 -0.62 3.71 0.00 -0.54 -1.36 121.76 121.30 3lig s ALA 605 Ca 0.19 0.83 -0.05 0.00 0.00 0.00 0.00 51.96 52.93 3lig s ALA 605 Cb -0.11 -0.51 0.05 0.00 0.00 0.00 0.00 23.12 22.54 3lig s ALA 605 CO 0.10 -0.16 0.16 0.09 0.00 0.00 0.00 175.76 175.96 3lig n ASN 606 N 3.65 -1.89 -1.54 0.00 5.03 -0.63 -1.63 115.26 118.25 3lig n ASN 606 Ca -0.20 0.06 -0.18 0.00 0.87 0.00 0.00 54.58 55.13 3lig n ASN 606 Cb 0.55 -1.69 -0.08 0.00 -1.02 0.00 0.00 39.78 37.55 3lig n ASN 606 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3lig n GLY 607 N -0.72 1.68 0.29 7.41 0.00 -1.26 -4.72 105.19 107.87 3lig n GLY 607 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3lig n GLY 607 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3lig n ARG 608 N -2.20 0.00 -3.78 1.61 1.85 -0.65 -0.56 116.66 112.93 3lig n ARG 608 Ca -0.18 -0.51 -0.13 0.00 -1.00 0.00 0.00 57.85 56.03 3lig n ARG 608 Cb 0.59 -0.32 -0.11 0.00 -1.05 0.00 0.00 32.46 31.57 3lig n ARG 608 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 3lig s PHE 609 N 0.00 -0.30 -0.11 2.89 5.36 -0.75 -4.83 117.98 120.24 3lig s PHE 609 Ca 0.00 0.72 -0.06 0.00 -0.96 0.00 0.00 56.93 56.64 3lig s PHE 609 Cb 0.00 0.10 0.05 0.00 -0.34 0.00 0.00 43.02 42.83 3lig s PHE 609 CO 0.00 -0.15 0.27 0.00 -1.46 0.00 0.00 175.22 173.88 3lig s ALA 610 N 0.12 -0.63 -0.08 11.12 0.00 -1.26 -1.47 121.76 129.57 3lig s ALA 610 Ca -0.00 1.06 -0.02 0.00 0.00 0.00 0.00 51.96 53.00 3lig s ALA 610 Cb -0.02 -0.67 0.03 0.00 0.00 0.00 0.00 23.12 22.47 3lig s ALA 610 CO 0.00 -0.20 0.01 -1.17 0.00 0.00 0.00 175.76 174.40 3lig s LEU 611 N 1.24 0.57 0.08 0.00 2.96 0.13 -0.82 118.68 122.85 3lig s LEU 611 Ca -0.09 -0.14 0.08 0.00 -0.22 0.00 0.00 54.13 53.76 3lig s LEU 611 Cb -0.10 -0.41 -0.03 0.00 0.50 0.00 0.00 46.19 46.15 3lig s LEU 611 CO -0.09 -0.22 -0.22 -0.44 -1.32 0.00 0.00 176.35 174.07 3lig s SER 612 N 1.99 2.63 0.38 3.68 0.01 -1.26 -0.17 113.70 120.95 3lig s SER 612 Ca 0.04 -0.63 -0.14 0.00 1.31 0.00 0.00 55.95 56.53 3lig s SER 612 Cb -0.13 -0.18 0.06 0.00 0.21 0.00 0.00 66.02 65.98 3lig s SER 612 CO -0.05 0.12 0.75 1.07 0.41 0.00 0.00 173.24 175.54 3lig n THR 613 N 1.38 0.00 -3.91 1.44 5.66 -0.51 -4.01 114.28 114.33 3lig n THR 613 Ca -0.18 -0.95 -0.35 0.00 -3.05 0.00 0.00 64.05 59.51 3lig n THR 613 Cb 0.53 0.95 -0.10 0.00 -1.55 0.00 0.00 70.33 70.15 3lig n THR 613 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 3lig s TRP 614 N -2.47 3.21 -0.65 1.09 0.52 -1.26 -1.74 118.94 117.64 3lig s TRP 614 Ca 0.15 -0.03 0.05 0.00 0.02 0.00 0.00 56.10 56.29 3lig s TRP 614 Cb -0.05 -2.15 0.16 0.00 -1.15 0.00 0.00 33.47 30.29 3lig s TRP 614 CO 0.11 0.01 0.43 0.00 0.02 0.00 0.00 176.95 177.52 3lig s ALA 615 N 0.80 3.57 -1.45 0.98 0.00 0.10 -4.98 121.76 120.79 3lig s ALA 615 Ca 0.04 -3.64 -0.10 0.00 0.00 0.00 0.00 51.96 48.27 3lig s ALA 615 Cb -0.13 -2.14 0.04 0.00 0.00 0.00 0.00 23.12 20.89 3lig s ALA 615 CO 0.02 -2.08 2.44 0.54 0.00 0.00 0.00 175.76 176.68 3lig n ARG 616 N 2.29 3.69 -1.42 0.00 1.74 -1.26 -4.33 116.66 117.36 3lig n ARG 616 Ca 0.17 -2.85 -0.33 0.00 -0.77 0.00 0.00 57.85 54.06 3lig n ARG 616 Cb 0.35 -2.91 0.09 0.00 -1.02 0.00 0.00 32.46 28.97 3lig n ARG 616 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3lig s SER 617 N 1.74 4.35 -0.21 0.55 1.04 -1.26 -4.50 113.70 115.43 3lig s SER 617 Ca 0.55 2.17 -0.17 0.00 0.48 0.00 0.00 55.95 58.97 3lig s SER 617 Cb 0.15 -2.57 -0.08 0.00 0.10 0.00 0.00 66.02 63.63 3lig s SER 617 CO -0.06 -2.15 -0.34 1.87 0.98 0.00 0.00 173.24 173.54 3lig n TRP 618 N -2.90 0.04 -2.00 5.02 -0.00 -1.26 -4.96 117.44 111.38 3lig n TRP 618 Ca 0.12 0.02 -0.41 0.00 -0.00 0.00 0.00 57.50 57.23 3lig n TRP 618 Cb 0.51 -0.65 -0.01 0.00 -0.00 0.00 0.00 31.31 31.16 3lig n TRP 618 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 3lig s TYR 619 N -2.77 2.89 0.42 5.87 2.02 -1.26 -4.85 117.35 119.67 3lig s TYR 619 Ca -0.31 1.29 0.08 0.00 -0.37 0.00 0.00 57.07 57.76 3lig s TYR 619 Cb 0.07 -3.81 0.92 0.00 -0.40 0.00 0.00 41.96 38.73 3lig s TYR 619 CO 0.44 -2.33 2.07 -0.44 -1.57 0.00 0.00 175.55 173.72 3lig h ASP 620 N 3.41 0.41 0.76 2.29 3.32 -1.56 -2.36 116.42 122.69 3lig h ASP 620 Ca -0.49 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3lig h ASP 620 Cb 1.23 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3lig h ASP 620 CO 0.66 0.30 0.00 0.59 -1.72 0.00 0.00 179.24 179.07 3lig n ASN 621 N -4.48 0.00 -3.82 6.45 3.02 -1.26 -4.46 115.26 110.70 3lig n ASN 621 Ca 0.03 0.50 -0.42 0.00 -0.03 0.00 0.00 54.58 54.65 3lig n ASN 621 Cb 0.08 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 3lig n ASN 621 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3lig n SER 622 N -1.50 4.02 0.00 6.41 7.64 -0.89 -4.17 113.62 125.12 3lig n SER 622 Ca 0.05 -2.86 0.00 0.00 1.01 0.00 0.00 58.87 57.08 3lig n SER 622 Cb 0.26 -1.66 0.00 0.00 -1.01 0.00 0.00 64.21 61.80 3lig n SER 622 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3lig n THR 623 N 5.17 0.11 -2.10 0.44 -2.24 -1.16 -3.58 114.28 110.92 3lig n THR 623 Ca 0.51 -0.31 -0.36 0.00 -2.27 0.00 0.00 64.05 61.63 3lig n THR 623 Cb 0.40 1.33 0.02 0.00 -2.10 0.00 0.00 70.33 69.98 3lig n THR 623 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3lig s GLN 624 N -0.11 3.11 -0.02 -0.78 -1.52 -0.46 -3.98 119.66 115.90 3lig s GLN 624 Ca 0.00 1.75 0.04 0.00 -1.95 0.00 0.00 55.36 55.20 3lig s GLN 624 Cb 0.00 -1.96 -0.01 0.00 -0.22 0.00 0.00 33.01 30.83 3lig s GLN 624 CO 0.00 -1.08 -0.14 0.42 -0.25 0.00 0.00 175.29 174.24 3lig s ILE 625 N -1.66 1.17 0.03 1.08 1.01 -1.26 -2.10 121.20 119.46 3lig s ILE 625 Ca 0.76 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.81 3lig s ILE 625 Cb -0.28 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 3lig s ILE 625 CO 0.31 0.34 -0.05 -0.13 0.00 0.00 0.00 174.94 175.41 3lig s ARG 626 N -0.17 0.38 0.38 2.79 0.52 -0.15 -1.54 118.95 121.16 3lig s ARG 626 Ca 0.02 -0.63 -0.25 0.00 -0.52 0.00 0.00 55.73 54.36 3lig s ARG 626 Cb -0.07 -0.05 -0.09 0.00 0.52 0.00 0.00 34.95 35.26 3lig s ARG 626 CO 0.00 -0.01 1.05 -0.06 0.02 0.00 0.00 175.30 176.30 3lig s PHE 627 N -1.34 3.32 -0.01 -0.53 0.08 0.10 -0.58 117.98 119.02 3lig s PHE 627 Ca -0.13 1.66 0.01 0.00 0.12 0.00 0.00 56.93 58.59 3lig s PHE 627 Cb -0.09 -3.13 0.01 0.00 -0.57 0.00 0.00 43.02 39.23 3lig s PHE 627 CO -0.00 -0.57 -0.02 0.12 -0.10 0.00 0.00 175.22 174.64 3lig s PHE 628 N -1.60 0.29 -0.20 0.36 5.36 -0.49 -1.04 117.98 120.66 3lig s PHE 628 Ca 0.56 -0.03 -0.11 0.00 -0.96 0.00 0.00 56.93 56.39 3lig s PHE 628 Cb -0.23 -0.26 0.07 0.00 -0.34 0.00 0.00 43.02 42.26 3lig s PHE 628 CO 0.29 -0.05 0.48 -1.58 -1.46 0.00 0.00 175.22 172.90 3lig s HIS 629 N 0.32 -0.73 -1.83 10.12 5.65 -0.70 -0.80 115.29 127.32 3lig s HIS 629 Ca -0.03 1.51 0.05 0.00 0.25 0.00 0.00 55.06 56.84 3lig s HIS 629 Cb -0.06 0.36 0.15 0.00 -1.18 0.00 0.00 32.58 31.85 3lig s HIS 629 CO -0.01 -0.40 1.07 0.27 -0.65 0.00 0.00 174.74 175.02 3lig n ASN 630 N 4.32 1.03 0.00 9.88 6.94 -0.67 -0.98 115.26 135.76 3lig n ASN 630 Ca -0.22 -2.03 0.00 0.00 -0.02 0.00 0.00 54.58 52.31 3lig n ASN 630 Cb 0.56 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.81 3lig n ASN 630 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3lig n GLY 631 N 0.66 2.91 3.58 4.83 0.00 -1.25 -4.54 105.19 111.37 3lig n GLY 631 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3lig n GLY 631 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lig s GLU 632 N -0.05 3.74 1.38 1.61 0.41 -1.26 -4.61 118.70 119.92 3lig s GLU 632 Ca 0.00 0.14 0.00 0.00 -0.41 0.00 0.00 54.97 54.70 3lig s GLU 632 Cb 0.00 -3.79 0.00 0.00 -1.78 0.00 0.00 34.13 28.56 3lig s GLU 632 CO 0.00 -0.71 0.00 0.41 -0.49 0.00 0.00 175.26 174.47 3lig n GLY 633 N 4.59 -1.71 3.12 -1.39 0.00 -1.26 -3.73 105.19 104.81 3lig n GLY 633 Ca -0.01 -1.48 -0.09 0.00 0.00 0.00 0.00 46.02 44.44 3lig n GLY 633 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3lig s GLU 634 N 0.00 0.60 -0.05 1.61 2.12 -1.26 -4.65 118.70 117.07 3lig s GLU 634 Ca 0.00 -0.76 -0.09 0.00 0.36 0.00 0.00 54.97 54.48 3lig s GLU 634 Cb 0.00 0.24 0.02 0.00 0.26 0.00 0.00 34.13 34.64 3lig s GLU 634 CO 0.00 -0.15 0.22 0.54 -0.54 0.00 0.00 175.26 175.33 3lig s VAL 635 N -2.66 0.04 -0.23 3.70 0.11 -0.68 -4.32 120.40 116.36 3lig s VAL 635 Ca -0.04 -0.30 0.00 0.00 -2.93 0.00 0.00 61.98 58.70 3lig s VAL 635 Cb -0.01 -0.42 0.03 0.00 -1.53 0.00 0.00 36.38 34.45 3lig s VAL 635 CO -0.05 -0.17 -0.12 -1.10 -3.33 0.00 0.00 175.10 170.34 3lig s GLN 636 N -0.62 2.80 0.00 1.54 -0.21 -0.69 -1.30 119.66 121.19 3lig s GLN 636 Ca -0.07 -0.98 -0.19 0.00 0.02 0.00 0.00 55.36 54.14 3lig s GLN 636 Cb -0.04 -2.83 -0.06 0.00 1.00 0.00 0.00 33.01 31.08 3lig s GLN 636 CO 0.01 -0.36 0.53 -0.06 -2.12 0.00 0.00 175.29 173.30 3lig s PHE 637 N 1.28 3.70 -0.01 0.91 0.08 0.59 -1.07 117.98 123.47 3lig s PHE 637 Ca 0.00 1.13 -0.06 0.00 0.12 0.00 0.00 56.93 58.13 3lig s PHE 637 Cb -0.16 -2.50 0.00 0.00 -0.57 0.00 0.00 43.02 39.79 3lig s PHE 637 CO -0.07 0.45 0.11 1.03 -0.10 0.00 0.00 175.22 176.64 3lig s ARG 638 N -0.50 0.39 -1.41 0.44 0.52 -0.11 -2.29 118.95 116.00 3lig s ARG 638 Ca 0.28 -0.30 -0.09 0.00 -0.52 0.00 0.00 55.73 55.10 3lig s ARG 638 Cb -0.18 0.16 0.04 0.00 0.52 0.00 0.00 34.95 35.49 3lig s ARG 638 CO 0.16 -0.08 1.01 0.09 0.02 0.00 0.00 175.30 176.50 3lig n ASN 639 N 1.81 -4.51 -4.74 0.23 5.03 -1.26 -1.26 115.26 110.57 3lig n ASN 639 Ca -0.21 -0.69 -0.40 0.00 0.87 0.00 0.00 54.58 54.15 3lig n ASN 639 Cb 0.56 -4.43 -0.05 0.00 -1.02 0.00 0.00 39.78 34.84 3lig n ASN 639 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3lig s VAL 640 N -3.37 4.76 0.06 2.41 1.01 -1.26 -3.96 120.40 120.05 3lig s VAL 640 Ca 0.47 1.67 -0.25 0.00 0.00 0.00 0.00 61.98 63.87 3lig s VAL 640 Cb -0.22 -4.14 0.06 0.00 0.00 0.00 0.00 36.38 32.08 3lig s VAL 640 CO 0.78 0.33 0.59 -0.55 0.00 0.00 0.00 175.10 176.26 3lig s SER 641 N 0.13 -0.55 -0.07 3.32 0.15 -0.29 -1.62 113.70 114.77 3lig s SER 641 Ca 0.40 0.25 0.02 0.00 0.70 0.00 0.00 55.95 57.32 3lig s SER 641 Cb -0.20 0.55 0.02 0.00 -1.71 0.00 0.00 66.02 64.67 3lig s SER 641 CO 0.23 -0.78 -0.10 -0.69 1.20 0.00 0.00 173.24 173.09 3lig s VAL 642 N -2.61 1.05 -0.23 4.45 1.01 0.47 -1.20 120.40 123.34 3lig s VAL 642 Ca -0.04 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 3lig s VAL 642 Cb -0.01 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 3lig s VAL 642 CO -0.03 0.35 0.02 -0.55 0.00 0.00 0.00 175.10 174.89 3lig s SER 643 N 0.92 4.76 -0.11 3.32 0.15 -0.47 -0.96 113.70 121.31 3lig s SER 643 Ca -0.10 -0.28 -0.02 0.00 0.70 0.00 0.00 55.95 56.24 3lig s SER 643 Cb -0.15 -1.84 -0.03 0.00 -1.71 0.00 0.00 66.02 62.29 3lig s SER 643 CO 0.01 -0.02 -0.01 -0.70 1.20 0.00 0.00 173.24 173.72 3lig s GLU 644 N 1.51 3.19 0.00 5.44 2.12 -0.19 -0.35 118.70 130.44 3lig s GLU 644 Ca 0.06 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 54.95 3lig s GLU 644 Cb -0.15 -2.84 0.00 0.00 0.26 0.00 0.00 34.13 31.40 3lig s GLU 644 CO 0.01 0.57 0.00 0.41 -0.54 0.00 0.00 175.26 175.70 3lig n GLY 645 N 2.55 3.28 7.00 -1.50 0.00 0.73 -1.83 105.19 115.42 3lig n GLY 645 Ca -0.18 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3lig n GLY 645 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3lig n LEU 646 N 0.00 0.00 -3.81 0.99 4.77 -1.25 -4.88 117.00 112.83 3lig n LEU 646 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 3lig n LEU 646 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3lig n LEU 646 CO 0.00 0.00 0.62 -0.72 -1.33 0.00 0.00 177.39 175.96 3lig s TYR 647 N 0.00 -0.11 -0.39 -1.77 -0.85 -1.26 -4.68 117.35 108.29 3lig s TYR 647 Ca 0.00 -0.29 -0.21 0.00 -0.52 0.00 0.00 57.07 56.05 3lig s TYR 647 Cb 0.00 0.69 0.01 0.00 0.38 0.00 0.00 41.96 43.04 3lig s TYR 647 CO 0.00 -1.05 0.64 1.21 -1.52 0.00 0.00 175.55 174.83 3lig s ASN 648 N -2.99 6.38 0.04 -0.18 3.84 -1.26 -3.55 114.94 117.22 3lig s ASN 648 Ca 0.13 -0.04 0.26 0.00 0.21 0.00 0.00 52.86 53.41 3lig s ASN 648 Cb -0.03 -2.32 1.05 0.00 -0.55 0.00 0.00 41.25 39.39 3lig s ASN 648 CO 0.05 -0.67 1.81 0.00 -2.79 0.00 0.00 177.10 175.50 3lig n ALA 649 N 6.14 2.17 -3.38 1.71 0.00 0.45 -4.21 120.51 123.39 3lig n ALA 649 Ca -0.01 -0.07 -0.26 0.00 0.00 0.00 0.00 53.44 53.10 3lig n ALA 649 Cb 0.48 -1.42 -0.08 0.00 0.00 0.00 0.00 19.45 18.43 3lig n ALA 649 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3lig n TRP 650 N -1.64 1.35 -0.00 0.00 7.02 -1.26 -0.80 117.44 122.10 3lig n TRP 650 Ca 0.06 -3.82 0.20 0.00 -1.02 0.00 0.00 57.50 52.93 3lig n TRP 650 Cb 0.32 -0.37 0.69 0.00 -2.42 0.00 0.00 31.31 29.53 3lig n TRP 650 CO 0.00 0.00 0.00 -1.35 -2.02 0.00 0.00 177.69 174.32 3lig h PRO 651 N 4.45 0.00 -0.00 -0.99 0.11 -1.78 -2.49 132.00 131.30 3lig h PRO 651 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3lig h PRO 651 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3lig h PRO 651 CO 0.61 0.00 -0.49 0.39 -0.21 0.00 0.00 178.00 178.29 3lig n GLU 652 N -4.37 0.21 0.00 1.05 4.71 -1.26 -5.20 120.64 115.78 3lig n GLU 652 Ca 0.10 -0.13 0.15 0.00 -0.01 0.00 0.00 57.16 57.27 3lig n GLU 652 Cb 0.62 -1.50 0.89 0.00 -1.01 0.00 0.00 31.44 30.44 3lig n GLU 652 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76