#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cel s ALA 3 N 0.00 2.75 0.36 7.33 0.00 -1.26 -1.06 121.76 129.87 1cel s ALA 3 Ca 0.00 -1.16 0.09 0.00 0.00 0.00 0.00 51.96 50.89 1cel s ALA 3 Cb 0.00 -0.86 -0.06 0.00 0.00 0.00 0.00 23.12 22.20 1cel s ALA 3 CO 0.00 0.59 -0.03 0.00 0.00 0.00 0.00 175.76 176.32 1cel n THR 5 N -0.89 1.33 0.25 0.00 -2.24 -1.26 -4.21 114.28 107.26 1cel n THR 5 Ca -0.05 -2.09 0.08 0.00 -2.27 0.00 0.00 64.05 59.72 1cel n THR 5 Cb 0.64 0.15 0.63 0.00 -2.10 0.00 0.00 70.33 69.65 1cel n THR 5 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1cel h LEU 6 N 0.66 0.00 -7.90 3.22 3.38 -1.98 -3.38 115.31 109.32 1cel h LEU 6 Ca -0.06 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.39 1cel h LEU 6 Cb 1.27 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.67 1cel h LEU 6 CO 0.02 0.06 -0.81 -1.58 0.09 0.00 0.00 178.44 176.22 1cel s GLN 7 N -4.88 1.69 0.64 1.13 2.00 -1.26 -5.05 119.66 113.92 1cel s GLN 7 Ca -0.05 -0.38 -0.17 0.00 -2.00 0.00 0.00 55.36 52.77 1cel s GLN 7 Cb 0.16 -1.50 -0.01 0.00 0.80 0.00 0.00 33.01 32.47 1cel s GLN 7 CO 0.66 -0.07 1.15 -1.54 -0.50 0.00 0.00 175.29 175.00 1cel s SER 8 N 1.00 5.03 -0.36 6.67 1.04 -1.26 -2.52 113.70 123.29 1cel s SER 8 Ca -0.08 2.18 -0.05 0.00 0.48 0.00 0.00 55.95 58.49 1cel s SER 8 Cb -0.15 -2.57 0.07 0.00 0.10 0.00 0.00 66.02 63.47 1cel s SER 8 CO -0.00 -1.69 0.13 -0.70 0.98 0.00 0.00 173.24 171.96 1cel s GLU 9 N -3.76 2.39 -0.27 4.02 2.56 -1.26 -3.77 118.70 118.61 1cel s GLU 9 Ca 0.72 -1.44 0.02 0.00 0.00 0.00 0.00 54.97 54.27 1cel s GLU 9 Cb -0.25 -3.48 0.07 0.00 2.00 0.00 0.00 34.13 32.47 1cel s GLU 9 CO 0.38 -0.82 -0.04 0.99 -0.56 0.00 0.00 175.26 175.21 1cel s THR 10 N 1.29 1.82 -0.01 -1.70 2.01 -1.26 -5.04 115.64 112.74 1cel s THR 10 Ca 0.01 -1.58 -0.30 0.00 0.31 0.00 0.00 61.69 60.13 1cel s THR 10 Cb -0.21 -2.11 -0.06 0.00 0.01 0.00 0.00 72.50 70.14 1cel s THR 10 CO -0.00 -0.22 1.47 -1.00 -0.69 0.00 0.00 174.62 174.18 1cel s HIS 11 N 1.23 2.64 0.18 4.92 0.09 -1.26 -4.88 115.29 118.20 1cel s HIS 11 Ca -0.02 0.65 -0.31 0.00 -0.00 0.00 0.00 55.06 55.38 1cel s HIS 11 Cb -0.19 -3.74 -0.10 0.00 -0.00 0.00 0.00 32.58 28.55 1cel s HIS 11 CO -0.08 -2.84 1.49 -2.14 -0.00 0.00 0.00 174.74 171.18 1cel s PRO 12 N 2.79 4.25 0.47 8.40 0.02 -1.24 -4.71 135.00 144.98 1cel s PRO 12 Ca 0.66 2.29 -0.22 0.00 0.02 0.00 0.00 61.00 63.75 1cel s PRO 12 Cb -0.32 -3.16 -0.07 0.00 0.02 0.00 0.00 34.50 30.96 1cel s PRO 12 CO 0.27 -0.52 1.11 -1.25 -0.33 0.00 0.00 177.00 176.29 1cel s PRO 13 N 0.68 3.73 -0.14 5.54 0.04 -1.26 -0.88 135.00 142.70 1cel s PRO 13 Ca 0.66 1.62 -0.06 0.00 0.04 0.00 0.00 61.00 63.26 1cel s PRO 13 Cb -0.42 -2.28 0.06 0.00 0.04 0.00 0.00 34.50 31.91 1cel s PRO 13 CO 0.35 -0.54 0.31 -1.17 0.04 0.00 0.00 177.00 175.99 1cel s LEU 14 N -3.23 -0.12 0.20 -3.56 2.96 -0.27 -4.65 118.68 110.02 1cel s LEU 14 Ca 0.66 0.69 -0.06 0.00 -0.22 0.00 0.00 54.13 55.19 1cel s LEU 14 Cb -0.24 0.93 -0.06 0.00 0.50 0.00 0.00 46.19 47.31 1cel s LEU 14 CO 0.29 -0.21 0.46 0.42 -1.32 0.00 0.00 176.35 175.99 1cel s THR 15 N 1.94 5.08 0.24 3.68 -4.23 -0.94 -0.58 115.64 120.83 1cel s THR 15 Ca -0.04 0.14 -0.04 0.00 -1.18 0.00 0.00 61.69 60.57 1cel s THR 15 Cb -0.11 -3.65 -0.02 0.00 1.34 0.00 0.00 72.50 70.06 1cel s THR 15 CO -0.10 -0.07 0.30 -1.66 -0.54 0.00 0.00 174.62 172.55 1cel s TRP 16 N -1.79 0.94 -0.07 3.99 1.48 -0.52 -4.43 118.94 118.54 1cel s TRP 16 Ca 0.43 -1.18 0.04 0.00 -1.06 0.00 0.00 56.10 54.33 1cel s TRP 16 Cb -0.12 -0.27 -0.02 0.00 -1.16 0.00 0.00 33.47 31.91 1cel s TRP 16 CO 0.25 -0.84 -0.19 -0.65 -4.06 0.00 0.00 176.95 171.46 1cel s GLN 17 N -3.92 2.70 -0.25 3.25 -1.52 -0.11 0.07 119.66 119.89 1cel s GLN 17 Ca 0.33 -0.79 -0.04 0.00 -1.95 0.00 0.00 55.36 52.91 1cel s GLN 17 Cb 0.03 -2.33 0.01 0.00 -0.22 0.00 0.00 33.01 30.50 1cel s GLN 17 CO 0.13 0.43 -0.02 0.21 -0.25 0.00 0.00 175.29 175.80 1cel s LYS 18 N -0.25 3.16 0.22 2.91 2.20 -0.34 -1.03 119.74 126.61 1cel s LYS 18 Ca 0.00 -0.78 0.05 0.00 -0.36 0.00 0.00 55.97 54.88 1cel s LYS 18 Cb -0.13 -3.09 -0.03 0.00 -1.51 0.00 0.00 37.83 33.07 1cel s LYS 18 CO 0.03 -0.31 0.31 0.00 -0.36 0.00 0.00 175.35 175.02 1cel s SER 20 N -3.77 3.19 0.55 0.00 1.04 0.20 -4.11 113.70 110.79 1cel s SER 20 Ca 0.34 -1.12 0.28 0.00 0.48 0.00 0.00 55.95 55.93 1cel s SER 20 Cb -0.09 -0.24 1.61 0.00 0.10 0.00 0.00 66.02 67.40 1cel s SER 20 CO 0.28 -0.18 2.16 0.77 0.98 0.00 0.00 173.24 177.24 1cel h SER 21 N 2.26 0.00 0.05 7.02 4.64 -1.92 -2.07 113.55 123.53 1cel h SER 21 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1cel h SER 21 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1cel h SER 21 CO 0.65 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 1cel n GLY 22 N -0.99 -0.61 0.67 -0.77 0.00 -1.26 -4.88 105.19 97.35 1cel n GLY 22 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1cel n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cel n GLY 23 N 0.15 0.83 3.40 -0.02 0.00 -0.78 -5.08 105.19 103.69 1cel n GLY 23 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1cel n GLY 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cel s THR 24 N -2.03 2.30 0.09 2.61 -4.23 -1.25 -4.59 115.64 108.54 1cel s THR 24 Ca 0.00 -1.88 0.09 0.00 -1.18 0.00 0.00 61.69 58.71 1cel s THR 24 Cb 0.00 -2.06 -0.03 0.00 1.34 0.00 0.00 72.50 71.75 1cel s THR 24 CO 0.00 -0.01 -0.22 0.00 -0.54 0.00 0.00 174.62 173.85 1cel s THR 26 N -1.07 1.00 0.28 0.00 -4.23 -0.12 -2.43 115.64 109.07 1cel s THR 26 Ca 0.08 -0.52 -0.29 0.00 -1.18 0.00 0.00 61.69 59.78 1cel s THR 26 Cb -0.10 -0.85 -0.10 0.00 1.34 0.00 0.00 72.50 72.79 1cel s THR 26 CO 0.04 0.29 1.33 -1.58 -0.54 0.00 0.00 174.62 174.16 1cel s GLN 27 N -0.12 4.35 0.05 3.99 0.74 -1.10 -1.19 119.66 126.38 1cel s GLN 27 Ca 0.02 2.19 0.08 0.00 0.05 0.00 0.00 55.36 57.70 1cel s GLN 27 Cb -0.07 -3.11 -0.03 0.00 1.10 0.00 0.00 33.01 30.90 1cel s GLN 27 CO 0.00 -0.24 -0.23 -0.65 -0.55 0.00 0.00 175.29 173.62 1cel s GLN 28 N -1.08 1.51 -0.17 1.67 -1.52 0.11 -4.91 119.66 115.27 1cel s GLN 28 Ca 0.53 -1.04 -0.01 0.00 -1.95 0.00 0.00 55.36 52.88 1cel s GLN 28 Cb -0.39 -1.68 -0.01 0.00 -0.22 0.00 0.00 33.01 30.71 1cel s GLN 28 CO 0.47 0.43 -0.11 0.99 -0.25 0.00 0.00 175.29 176.82 1cel s THR 29 N -0.84 3.01 0.00 -0.19 2.01 -1.26 -1.44 115.64 116.92 1cel s THR 29 Ca 0.09 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.45 1cel s THR 29 Cb -0.09 -2.31 0.00 0.00 0.01 0.00 0.00 72.50 70.11 1cel s THR 29 CO 0.02 0.49 0.00 0.61 -0.69 0.00 0.00 174.62 175.05 1cel n GLY 30 N 4.23 6.44 3.79 4.40 0.00 0.25 -4.98 105.19 119.31 1cel n GLY 30 Ca -0.19 -1.71 -0.06 0.00 0.00 0.00 0.00 46.02 44.06 1cel n GLY 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cel s SER 31 N 1.00 -0.25 0.13 1.61 1.04 -1.24 -1.11 113.70 114.89 1cel s SER 31 Ca 0.00 -0.49 0.10 0.00 0.48 0.00 0.00 55.95 56.04 1cel s SER 31 Cb 0.00 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.71 1cel s SER 31 CO 0.00 -1.15 -0.21 0.68 0.98 0.00 0.00 173.24 173.54 1cel s VAL 32 N -3.66 2.61 -0.02 5.02 -7.23 -0.06 -0.54 120.40 116.53 1cel s VAL 32 Ca 0.11 -1.65 0.04 0.00 -1.81 0.00 0.00 61.98 58.67 1cel s VAL 32 Cb -0.04 -2.19 -0.01 0.00 0.56 0.00 0.00 36.38 34.70 1cel s VAL 32 CO 0.04 0.07 -0.13 0.54 -0.31 0.00 0.00 175.10 175.31 1cel s VAL 33 N -1.18 1.04 0.20 1.32 0.11 -0.75 -3.70 120.40 117.43 1cel s VAL 33 Ca 0.17 -0.54 -0.24 0.00 -2.93 0.00 0.00 61.98 58.44 1cel s VAL 33 Cb -0.10 -0.89 -0.08 0.00 -1.53 0.00 0.00 36.38 33.78 1cel s VAL 33 CO 0.09 0.30 0.78 -0.51 -3.33 0.00 0.00 175.10 172.43 1cel s ILE 34 N -0.16 4.41 0.44 7.04 2.07 -1.26 -1.23 121.20 132.51 1cel s ILE 34 Ca 0.02 1.60 -0.25 0.00 -1.41 0.00 0.00 60.65 60.62 1cel s ILE 34 Cb -0.07 -4.05 -0.09 0.00 0.13 0.00 0.00 42.46 38.38 1cel s ILE 34 CO 0.00 0.40 1.26 -0.67 -1.91 0.00 0.00 174.94 174.03 1cel n ASP 35 N 1.26 2.46 -0.27 4.50 2.03 -0.10 -3.90 116.55 122.54 1cel n ASP 35 Ca -0.04 1.08 0.21 0.00 0.52 0.00 0.00 54.79 56.55 1cel n ASP 35 Cb 0.49 -1.50 0.52 0.00 -0.72 0.00 0.00 41.12 39.91 1cel n ASP 35 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cel h ALA 36 N 1.93 2.25 -0.03 -1.67 0.00 -1.34 -2.18 119.26 118.22 1cel h ALA 36 Ca -0.48 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1cel h ALA 36 Cb 1.30 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1cel h ALA 36 CO 0.59 -0.56 0.03 -0.91 0.00 0.00 0.00 179.25 178.39 1cel h ASN 37 N 0.39 0.00 0.70 0.00 4.21 -1.91 -1.48 115.58 117.49 1cel h ASN 37 Ca 0.50 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.01 1cel h ASN 37 Cb 1.29 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.49 1cel h ASN 37 CO -0.20 0.00 -0.26 0.79 -1.29 0.00 0.00 177.43 176.47 1cel n TRP 38 N -4.05 0.00 -2.32 1.19 8.01 -0.82 -4.96 117.44 114.50 1cel n TRP 38 Ca -0.02 0.00 -0.29 0.00 -1.31 0.00 0.00 57.50 55.88 1cel n TRP 38 Cb 0.12 -0.35 0.00 0.00 -2.01 0.00 0.00 31.31 29.07 1cel n TRP 38 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 1cel s ARG 39 N -2.96 3.58 -0.13 -0.99 0.52 -0.56 -5.03 118.95 113.38 1cel s ARG 39 Ca 0.14 0.45 -0.29 0.00 -0.52 0.00 0.00 55.73 55.50 1cel s ARG 39 Cb 0.18 -2.25 -0.02 0.00 0.52 0.00 0.00 34.95 33.39 1cel s ARG 39 CO 0.61 -0.35 1.24 -0.46 0.02 0.00 0.00 175.30 176.36 1cel s TRP 40 N -2.91 2.94 -0.27 -0.53 -0.00 -1.26 -4.92 118.94 111.99 1cel s TRP 40 Ca 0.51 1.07 -0.05 0.00 -0.00 0.00 0.00 56.10 57.63 1cel s TRP 40 Cb -0.11 -3.48 0.01 0.00 -0.00 0.00 0.00 33.47 29.89 1cel s TRP 40 CO 0.48 -1.59 0.02 0.99 -0.00 0.00 0.00 176.95 176.85 1cel s THR 41 N 3.14 3.59 0.25 5.86 2.01 -1.26 -1.74 115.64 127.49 1cel s THR 41 Ca 0.55 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.83 1cel s THR 41 Cb -0.22 -2.81 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 1cel s THR 41 CO 0.17 0.17 0.18 -1.38 -0.69 0.00 0.00 174.62 173.06 1cel s HIS 42 N 1.45 1.39 0.45 4.92 -3.43 -0.79 -1.13 115.29 118.14 1cel s HIS 42 Ca 0.02 -1.47 -0.25 0.00 -0.80 0.00 0.00 55.06 52.57 1cel s HIS 42 Cb -0.17 -0.64 -0.08 0.00 -1.43 0.00 0.00 32.58 30.27 1cel s HIS 42 CO -0.00 -0.70 1.35 0.00 -2.00 0.00 0.00 174.74 173.39 1cel s ALA 43 N -3.89 3.17 0.52 -1.38 0.00 0.50 -1.15 121.76 119.54 1cel s ALA 43 Ca 0.39 1.32 0.17 0.00 0.00 0.00 0.00 51.96 53.85 1cel s ALA 43 Cb 0.05 -3.53 1.30 0.00 0.00 0.00 0.00 23.12 20.94 1cel s ALA 43 CO 0.17 -1.03 2.14 1.79 0.00 0.00 0.00 175.76 178.83 1cel h THR 44 N 2.22 0.96 -0.08 0.00 1.35 -1.46 -2.97 112.91 112.92 1cel h THR 44 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1cel h THR 44 Cb 1.26 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 1cel h THR 44 CO 0.61 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 176.47 1cel n ASN 45 N -4.50 2.51 -3.15 5.36 4.13 -1.26 -5.03 115.26 113.33 1cel n ASN 45 Ca -0.02 -1.73 -0.12 0.00 1.68 0.00 0.00 54.58 54.39 1cel n ASN 45 Cb 0.15 -0.04 -0.02 0.00 -1.54 0.00 0.00 39.78 38.33 1cel n ASN 45 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1cel s SER 46 N -1.35 0.57 0.00 6.41 1.04 -1.12 -5.04 113.70 114.21 1cel s SER 46 Ca 0.21 -1.35 0.15 0.00 0.48 0.00 0.00 55.95 55.45 1cel s SER 46 Cb 0.14 0.73 0.44 0.00 0.10 0.00 0.00 66.02 67.44 1cel s SER 46 CO 0.21 -1.44 1.36 -1.54 0.98 0.00 0.00 173.24 172.81 1cel n SER 47 N -1.39 2.25 -4.66 7.02 3.41 -1.26 -3.85 113.62 115.15 1cel n SER 47 Ca -0.03 -1.95 -0.42 0.00 -0.26 0.00 0.00 58.87 56.21 1cel n SER 47 Cb 0.61 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 1cel n SER 47 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1cel s THR 48 N -1.49 3.80 0.34 6.66 2.01 -1.26 -4.82 115.64 120.88 1cel s THR 48 Ca 0.30 0.96 -0.29 0.00 0.31 0.00 0.00 61.69 62.97 1cel s THR 48 Cb 0.16 -3.63 -0.11 0.00 0.01 0.00 0.00 72.50 68.93 1cel s THR 48 CO 0.21 -0.10 1.43 0.20 -0.69 0.00 0.00 174.62 175.68 1cel s ASN 49 N 2.99 6.52 0.18 3.53 -0.87 -1.26 -0.37 114.94 125.66 1cel s ASN 49 Ca 0.68 2.88 0.23 0.00 -1.57 0.00 0.00 52.86 55.08 1cel s ASN 49 Cb -0.29 -2.65 0.06 0.00 -0.02 0.00 0.00 41.25 38.35 1cel s ASN 49 CO 0.25 -0.75 1.09 0.00 -2.57 0.00 0.00 177.10 175.12 1cel s TYR 51 N -3.32 -0.21 -0.12 0.00 5.04 -1.24 -0.97 117.35 116.53 1cel s TYR 51 Ca 0.01 0.55 -0.10 0.00 -2.44 0.00 0.00 57.07 55.09 1cel s TYR 51 Cb 0.10 -0.01 0.03 0.00 0.35 0.00 0.00 41.96 42.44 1cel s TYR 51 CO 0.78 -0.16 0.32 0.34 -1.34 0.00 0.00 175.55 175.48 1cel s ASP 52 N 0.90 -0.34 1.68 4.32 2.15 -0.71 -4.79 116.67 119.88 1cel s ASP 52 Ca -0.07 0.64 0.00 0.00 0.43 0.00 0.00 52.55 53.56 1cel s ASP 52 Cb -0.08 0.63 0.00 0.00 -0.30 0.00 0.00 42.92 43.17 1cel s ASP 52 CO -0.05 -0.12 0.00 0.61 -0.17 0.00 0.00 175.17 175.44 1cel n GLY 53 N 3.11 2.34 0.93 2.66 0.00 -1.26 -1.96 105.19 111.00 1cel n GLY 53 Ca -0.15 0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.01 1cel n GLY 53 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cel n ASN 54 N 10.42 1.17 -4.08 1.61 0.23 -0.91 -4.06 115.26 119.64 1cel n ASN 54 Ca 0.00 -2.65 -0.16 0.00 -0.53 0.00 0.00 54.58 51.24 1cel n ASN 54 Cb 0.00 -0.36 -0.12 0.00 -2.08 0.00 0.00 39.78 37.22 1cel n ASN 54 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1cel s THR 55 N -1.21 0.72 0.21 5.53 2.01 -0.83 -4.50 115.64 117.57 1cel s THR 55 Ca 0.29 -0.96 -0.06 0.00 0.31 0.00 0.00 61.69 61.27 1cel s THR 55 Cb 0.31 -0.72 -0.06 0.00 0.01 0.00 0.00 72.50 72.04 1cel s THR 55 CO -0.09 -0.20 0.48 0.26 -0.69 0.00 0.00 174.62 174.37 1cel s TRP 56 N -1.05 3.46 -0.14 4.92 0.52 -1.26 -1.73 118.94 123.64 1cel s TRP 56 Ca -0.05 0.68 -0.29 0.00 0.02 0.00 0.00 56.10 56.46 1cel s TRP 56 Cb -0.08 -2.11 -0.05 0.00 -1.15 0.00 0.00 33.47 30.08 1cel s TRP 56 CO 0.01 0.32 1.76 0.45 0.02 0.00 0.00 176.95 179.50 1cel s SER 57 N -2.60 6.34 0.49 2.95 0.15 -0.14 -4.88 113.70 116.00 1cel s SER 57 Ca 0.44 1.96 0.26 0.00 0.70 0.00 0.00 55.95 59.31 1cel s SER 57 Cb -0.11 -2.53 1.27 0.00 -1.71 0.00 0.00 66.02 62.94 1cel s SER 57 CO 0.25 -1.24 1.99 0.77 1.20 0.00 0.00 173.24 176.21 1cel h SER 58 N 10.99 0.00 0.09 5.45 4.64 -1.91 0.12 113.55 132.92 1cel h SER 58 Ca -0.38 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.79 1cel h SER 58 Cb 1.18 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1cel h SER 58 CO 0.98 0.16 -0.70 0.71 -0.87 0.00 0.00 176.83 177.10 1cel h THR 59 N 0.00 1.48 0.00 2.95 1.35 -1.99 -3.22 112.91 113.47 1cel h THR 59 Ca -0.00 -2.44 -0.15 0.00 -0.55 0.00 0.00 66.41 63.27 1cel h THR 59 Cb 0.47 3.11 -0.02 0.00 -1.73 0.00 0.00 68.15 69.98 1cel h THR 59 CO 0.02 0.66 -0.74 -0.07 -0.25 0.00 0.00 175.52 175.14 1cel h LEU 60 N -0.59 0.00 -6.00 3.87 3.38 -1.95 -3.39 115.31 110.63 1cel h LEU 60 Ca -0.14 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.25 1cel h LEU 60 Cb 1.45 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.79 1cel h LEU 60 CO 0.07 0.74 -0.82 0.00 0.09 0.00 0.00 178.44 178.51 1cel h PRO 62 N 3.86 0.00 -3.69 0.00 0.13 -1.76 -3.42 132.00 127.13 1cel h PRO 62 Ca 0.14 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.20 1cel h PRO 62 Cb 0.74 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.77 1cel h PRO 62 CO 0.68 0.42 -0.15 0.16 -0.23 0.00 0.00 178.00 178.88 1cel s ASP 63 N -6.44 -0.08 0.21 1.44 1.47 -1.26 -4.92 116.67 107.10 1cel s ASP 63 Ca 0.01 -0.89 -0.09 0.00 1.18 0.00 0.00 52.55 52.77 1cel s ASP 63 Cb 0.10 0.55 0.27 0.00 -0.34 0.00 0.00 42.92 43.50 1cel s ASP 63 CO 0.70 -1.08 1.80 0.78 0.68 0.00 0.00 175.17 178.05 1cel h ASN 64 N 2.31 0.50 0.29 2.11 2.35 -1.90 -1.90 115.58 119.34 1cel h ASN 64 Ca -0.28 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 1cel h ASN 64 Cb 1.25 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.57 1cel h ASN 64 CO 0.38 0.31 -0.14 -0.33 -1.65 0.00 0.00 177.43 176.01 1cel h GLU 65 N 0.64 -0.38 -0.83 0.81 5.08 -1.94 -2.42 114.58 115.55 1cel h GLU 65 Ca 0.31 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.77 1cel h GLU 65 Cb 0.25 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 1cel h GLU 65 CO -0.21 -0.05 0.50 1.15 -1.00 0.00 0.00 179.01 179.39 1cel h THR 66 N -0.76 0.99 -0.12 1.13 2.02 -1.90 -1.34 112.91 112.92 1cel h THR 66 Ca -0.04 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 66.85 1cel h THR 66 Cb 0.50 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1cel h THR 66 CO 0.07 0.16 0.04 0.00 0.37 0.00 0.00 175.52 176.16 1cel h ALA 68 N 1.07 1.45 -0.35 0.00 0.00 -1.02 0.97 119.26 121.39 1cel h ALA 68 Ca 0.05 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 1cel h ALA 68 Cb 0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1cel h ALA 68 CO -0.05 0.44 -0.43 0.87 0.00 0.00 0.00 179.25 180.08 1cel h LYS 69 N 0.76 0.90 0.00 0.00 1.79 -0.86 -3.28 116.57 115.88 1cel h LYS 69 Ca 0.19 -0.50 -0.08 0.00 -2.18 0.00 0.00 60.65 58.08 1cel h LYS 69 Cb 0.07 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 1cel h LYS 69 CO -0.03 1.15 -0.49 -0.91 -1.08 0.00 0.00 179.45 178.09 1cel h ASN 70 N 0.72 0.00 -3.57 0.86 2.35 -0.68 -3.47 115.58 111.80 1cel h ASN 70 Ca 0.05 0.00 -0.67 0.00 -0.55 0.00 0.00 56.30 55.13 1cel h ASN 70 Cb 1.02 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 39.24 1cel h ASN 70 CO 0.10 0.37 -0.72 0.00 -1.65 0.00 0.00 177.43 175.53 1cel s LEU 73 N -2.99 4.34 0.47 0.00 1.43 -0.23 -1.89 118.68 119.81 1cel s LEU 73 Ca 0.14 0.27 0.03 0.00 -1.03 0.00 0.00 54.13 53.53 1cel s LEU 73 Cb 0.01 -2.93 -0.03 0.00 0.03 0.00 0.00 46.19 43.28 1cel s LEU 73 CO 0.00 0.17 0.03 -0.62 0.23 0.00 0.00 176.35 176.17 1cel s ASP 74 N -2.48 3.75 0.89 2.29 -1.08 -0.71 -0.45 116.67 118.89 1cel s ASP 74 Ca 0.34 -1.60 -0.11 0.00 -0.52 0.00 0.00 52.55 50.67 1cel s ASP 74 Cb -0.13 0.35 0.13 0.00 -1.46 0.00 0.00 42.92 41.81 1cel s ASP 74 CO 0.27 -0.79 1.11 -0.83 0.52 0.00 0.00 175.17 175.45 1cel s GLY 75 N -3.78 1.66 -0.07 2.66 0.00 -1.05 -4.55 107.32 102.19 1cel s GLY 75 Ca 0.15 0.31 0.05 0.00 0.00 0.00 0.00 44.72 45.23 1cel s GLY 75 CO 0.08 0.74 -0.24 0.00 0.00 0.00 0.00 173.10 173.69 1cel s ALA 76 N -2.76 2.09 -0.96 3.20 0.00 -1.25 -4.77 121.76 117.31 1cel s ALA 76 Ca 0.65 -0.98 -0.17 0.00 0.00 0.00 0.00 51.96 51.46 1cel s ALA 76 Cb -0.20 -0.70 0.16 0.00 0.00 0.00 0.00 23.12 22.38 1cel s ALA 76 CO 0.58 0.36 1.10 0.00 0.00 0.00 0.00 175.76 177.80 1cel s ALA 77 N 0.04 3.66 0.17 0.00 0.00 -1.26 -4.62 121.76 119.76 1cel s ALA 77 Ca -0.09 -3.01 -0.25 0.00 0.00 0.00 0.00 51.96 48.61 1cel s ALA 77 Cb -0.15 -3.94 0.05 0.00 0.00 0.00 0.00 23.12 19.08 1cel s ALA 77 CO 0.05 -2.78 1.56 1.88 0.00 0.00 0.00 175.76 176.48 1cel h TYR 78 N 8.28 -1.31 0.02 0.00 -1.99 -1.90 -0.86 116.97 119.21 1cel h TYR 78 Ca 0.17 0.09 -0.00 0.00 2.00 0.00 0.00 58.73 60.99 1cel h TYR 78 Cb 1.00 0.67 0.00 0.00 2.00 0.00 0.00 36.73 40.39 1cel h TYR 78 CO 1.11 -0.42 -0.01 0.00 -0.00 0.00 0.00 178.16 178.85 1cel h ALA 79 N 0.69 -0.03 -0.28 3.88 0.00 -1.90 -1.62 119.26 120.00 1cel h ALA 79 Ca 0.19 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1cel h ALA 79 Cb 0.55 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1cel h ALA 79 CO -0.74 -0.11 -0.25 0.66 0.00 0.00 0.00 179.25 178.80 1cel h SER 80 N -0.84 0.56 0.00 0.00 4.64 -1.90 -2.05 113.55 113.97 1cel h SER 80 Ca -0.00 -0.20 -0.38 0.00 -0.47 0.00 0.00 61.79 60.74 1cel h SER 80 Cb 0.74 -0.15 -0.07 0.00 -0.31 0.00 0.00 62.40 62.60 1cel h SER 80 CO 0.01 0.80 -2.44 0.41 -0.87 0.00 0.00 176.83 174.74 1cel n THR 81 N -4.11 1.45 0.62 2.95 -1.04 -0.34 -4.54 114.28 109.27 1cel n THR 81 Ca -0.00 -0.66 0.07 0.00 -2.04 0.00 0.00 64.05 61.41 1cel n THR 81 Cb 0.42 -1.10 -0.02 0.00 -1.82 0.00 0.00 70.33 67.81 1cel n THR 81 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1cel n TYR 82 N -3.08 0.00 -2.19 -1.42 4.01 -0.88 -4.65 117.16 108.95 1cel n TYR 82 Ca -0.41 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.16 1cel n TYR 82 Cb 1.04 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.06 1cel n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cel n GLY 83 N 1.12 -0.02 3.47 2.72 0.00 -0.68 -4.58 105.19 107.22 1cel n GLY 83 Ca 0.05 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 1cel n GLY 83 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cel s VAL 84 N -2.80 4.44 0.07 1.61 1.01 -0.76 -1.15 120.40 122.83 1cel s VAL 84 Ca 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1cel s VAL 84 Cb 0.00 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 1cel s VAL 84 CO 0.00 0.33 -0.10 0.42 0.00 0.00 0.00 175.10 175.75 1cel s THR 85 N 1.59 0.80 0.09 3.92 -4.23 -0.89 -3.11 115.64 113.82 1cel s THR 85 Ca 0.06 -1.32 0.04 0.00 -1.18 0.00 0.00 61.69 59.30 1cel s THR 85 Cb -0.15 -0.97 -0.03 0.00 1.34 0.00 0.00 72.50 72.68 1cel s THR 85 CO 0.04 -0.40 -0.12 0.42 -0.54 0.00 0.00 174.62 174.02 1cel s THR 86 N -1.71 1.05 -0.26 3.99 -4.23 -1.26 -1.17 115.64 112.04 1cel s THR 86 Ca -0.03 -1.53 -0.01 0.00 -1.18 0.00 0.00 61.69 58.94 1cel s THR 86 Cb -0.08 -1.27 0.14 0.00 1.34 0.00 0.00 72.50 72.64 1cel s THR 86 CO 0.01 -0.42 0.39 -0.55 -0.54 0.00 0.00 174.62 173.50 1cel s SER 87 N -2.20 0.31 1.86 3.99 0.15 -0.04 -5.00 113.70 112.77 1cel s SER 87 Ca 0.03 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1cel s SER 87 Cb -0.06 1.11 0.00 0.00 -1.71 0.00 0.00 66.02 65.37 1cel s SER 87 CO 0.01 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.74 1cel n GLY 88 N 5.36 3.16 1.50 9.45 0.00 -1.26 -1.05 105.19 122.35 1cel n GLY 88 Ca -0.02 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.24 1cel n GLY 88 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cel n ASN 89 N 9.93 4.42 -4.53 1.61 0.23 -1.26 -2.21 115.26 123.44 1cel n ASN 89 Ca 0.00 -2.39 -0.33 0.00 -0.53 0.00 0.00 54.58 51.33 1cel n ASN 89 Cb 0.00 -0.55 -0.12 0.00 -2.08 0.00 0.00 39.78 37.03 1cel n ASN 89 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1cel s SER 90 N -0.87 4.40 -0.10 0.53 0.15 -0.21 -2.02 113.70 115.58 1cel s SER 90 Ca 0.48 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.03 1cel s SER 90 Cb 0.30 -1.08 0.02 0.00 -1.71 0.00 0.00 66.02 63.55 1cel s SER 90 CO 0.23 0.34 -0.08 -0.22 1.20 0.00 0.00 173.24 174.72 1cel s LEU 91 N -0.71 1.27 -0.06 3.45 2.96 0.56 -0.86 118.68 125.29 1cel s LEU 91 Ca 0.11 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 1cel s LEU 91 Cb -0.11 -0.80 -0.02 0.00 0.50 0.00 0.00 46.19 45.75 1cel s LEU 91 CO 0.01 -0.08 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.38 1cel s SER 92 N 1.44 4.02 -0.20 3.68 0.01 -0.32 -1.05 113.70 121.29 1cel s SER 92 Ca -0.00 -0.22 0.01 0.00 1.31 0.00 0.00 55.95 57.05 1cel s SER 92 Cb -0.13 -0.99 0.04 0.00 0.21 0.00 0.00 66.02 65.14 1cel s SER 92 CO -0.05 0.31 -0.13 -0.63 0.41 0.00 0.00 173.24 173.15 1cel s ILE 93 N -0.53 1.82 0.51 1.44 1.01 -0.51 -2.08 121.20 122.85 1cel s ILE 93 Ca 0.07 -1.05 -0.18 0.00 0.00 0.00 0.00 60.65 59.50 1cel s ILE 93 Cb -0.12 -1.81 -0.08 0.00 0.01 0.00 0.00 42.46 40.46 1cel s ILE 93 CO 0.01 0.27 0.99 -0.83 0.00 0.00 0.00 174.94 175.39 1cel s GLY 94 N 1.33 2.17 -0.03 6.18 0.00 -0.30 -2.11 107.32 114.57 1cel s GLY 94 Ca -0.00 0.29 -0.03 0.00 0.00 0.00 0.00 44.72 44.98 1cel s GLY 94 CO -0.09 0.57 0.21 -2.75 0.00 0.00 0.00 173.10 171.04 1cel h PHE 95 N 1.08 -0.09 -3.31 1.90 3.57 -0.59 -3.39 116.94 116.11 1cel h PHE 95 Ca -0.47 -0.00 -0.66 0.00 3.53 0.00 0.00 57.97 60.37 1cel h PHE 95 Cb 1.19 0.03 -0.28 0.00 2.79 0.00 0.00 35.95 39.68 1cel h PHE 95 CO 0.62 -0.05 -0.77 0.08 -2.23 0.00 0.00 178.31 175.96 1cel s VAL 96 N -1.73 2.97 -0.13 1.41 1.01 -0.72 -0.62 120.40 122.60 1cel s VAL 96 Ca -0.01 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1cel s VAL 96 Cb 0.00 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 34.14 1cel s VAL 96 CO 0.04 0.51 -0.17 -0.89 0.00 0.00 0.00 175.10 174.60 1cel s THR 97 N 0.60 1.66 -0.37 3.92 2.01 -0.26 -4.75 115.64 118.45 1cel s THR 97 Ca -0.07 -0.73 -0.10 0.00 0.31 0.00 0.00 61.69 61.10 1cel s THR 97 Cb -0.16 -1.51 0.03 0.00 0.01 0.00 0.00 72.50 70.88 1cel s THR 97 CO 0.03 0.47 0.19 -1.10 -0.69 0.00 0.00 174.62 173.52 1cel s GLN 98 N 1.05 2.75 0.00 4.92 -1.52 -1.26 -0.53 119.66 125.08 1cel s GLN 98 Ca -0.04 -1.13 0.00 0.00 -1.95 0.00 0.00 55.36 52.24 1cel s GLN 98 Cb -0.15 -3.68 0.00 0.00 -0.22 0.00 0.00 33.01 28.97 1cel s GLN 98 CO -0.04 -0.71 0.00 -1.13 -0.25 0.00 0.00 175.29 173.16 1cel n SER 99 N 4.95 0.00 0.06 5.90 3.41 -1.26 -4.92 113.62 121.76 1cel n SER 99 Ca -0.12 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.61 1cel n SER 99 Cb 0.45 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.59 1cel n SER 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cel n ALA 100 N -3.00 2.90 -2.25 7.33 0.00 -1.26 -4.90 120.51 119.34 1cel n ALA 100 Ca 0.00 -0.24 -0.14 0.00 0.00 0.00 0.00 53.44 53.06 1cel n ALA 100 Cb 0.00 -1.19 -0.10 0.00 0.00 0.00 0.00 19.45 18.16 1cel n ALA 100 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1cel s GLN 101 N -3.16 1.23 -0.21 0.00 2.00 -1.26 -5.14 119.66 113.12 1cel s GLN 101 Ca 0.07 -1.64 -0.10 0.00 -2.00 0.00 0.00 55.36 51.69 1cel s GLN 101 Cb 0.13 -0.05 -0.05 0.00 0.80 0.00 0.00 33.01 33.85 1cel s GLN 101 CO 0.71 -0.29 0.13 0.21 -0.50 0.00 0.00 175.29 175.55 1cel s LYS 102 N -4.05 4.10 -0.09 1.67 2.20 -1.26 -4.31 119.74 118.00 1cel s LYS 102 Ca 0.34 -0.26 0.03 0.00 -0.36 0.00 0.00 55.97 55.71 1cel s LYS 102 Cb 0.07 -3.42 -0.01 0.00 -1.51 0.00 0.00 37.83 32.96 1cel s LYS 102 CO 0.10 0.20 -0.18 1.21 -0.36 0.00 0.00 175.35 176.32 1cel s ASN 103 N 0.63 3.65 -0.24 1.43 2.47 0.31 -4.99 114.94 118.20 1cel s ASN 103 Ca 0.07 -0.37 0.00 0.00 0.42 0.00 0.00 52.86 52.98 1cel s ASN 103 Cb -0.12 -1.20 0.04 0.00 -1.45 0.00 0.00 41.25 38.52 1cel s ASN 103 CO 0.01 0.23 -0.09 -0.69 -3.72 0.00 0.00 177.10 172.83 1cel s VAL 104 N -0.05 2.55 0.00 -5.21 1.01 -1.26 -1.11 120.40 116.33 1cel s VAL 104 Ca -0.05 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.73 1cel s VAL 104 Cb -0.14 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.91 1cel s VAL 104 CO 0.04 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1cel n GLY 105 N 4.59 -0.84 3.61 4.51 0.00 0.21 -5.01 105.19 112.26 1cel n GLY 105 Ca -0.16 -1.12 -0.07 0.00 0.00 0.00 0.00 46.02 44.68 1cel n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cel s ALA 106 N -1.57 -2.02 -0.14 4.61 0.00 -1.15 -4.97 121.76 116.52 1cel s ALA 106 Ca 0.00 1.73 0.00 0.00 0.00 0.00 0.00 51.96 53.69 1cel s ALA 106 Cb 0.00 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 22.05 1cel s ALA 106 CO 0.00 -0.28 -0.14 0.50 0.00 0.00 0.00 175.76 175.85 1cel s ARG 107 N -1.05 2.23 0.16 0.00 3.52 -1.26 -2.29 118.95 120.26 1cel s ARG 107 Ca 0.03 -0.54 0.10 0.00 -0.13 0.00 0.00 55.73 55.20 1cel s ARG 107 Cb -0.01 -2.04 -0.04 0.00 -1.56 0.00 0.00 34.95 31.30 1cel s ARG 107 CO -0.03 -0.22 -0.23 -0.51 -0.81 0.00 0.00 175.30 173.51 1cel s LEU 108 N 1.44 2.40 0.09 -0.88 1.43 -0.16 -0.93 118.68 122.07 1cel s LEU 108 Ca 0.04 -0.82 0.09 0.00 -1.03 0.00 0.00 54.13 52.41 1cel s LEU 108 Cb -0.13 -1.05 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 1cel s LEU 108 CO -0.09 0.08 -0.24 -0.31 0.23 0.00 0.00 176.35 176.02 1cel s TYR 109 N -1.58 2.03 -0.08 0.29 2.02 -0.37 -1.29 117.35 118.37 1cel s TYR 109 Ca 0.16 -0.40 -0.23 0.00 -0.37 0.00 0.00 57.07 56.23 1cel s TYR 109 Cb -0.08 -1.14 -0.03 0.00 -0.40 0.00 0.00 41.96 40.30 1cel s TYR 109 CO 0.08 0.21 0.70 -1.17 -1.57 0.00 0.00 175.55 173.80 1cel s LEU 110 N -1.70 4.30 -0.00 -1.29 2.96 -0.91 -1.82 118.68 120.21 1cel s LEU 110 Ca 0.10 1.16 -0.02 0.00 -0.22 0.00 0.00 54.13 55.15 1cel s LEU 110 Cb -0.10 -3.08 -0.04 0.00 0.50 0.00 0.00 46.19 43.48 1cel s LEU 110 CO 0.04 -0.14 0.18 -0.04 -1.32 0.00 0.00 176.35 175.06 1cel s MET 111 N 0.95 3.40 -0.08 1.98 -1.94 0.30 -1.75 119.30 122.17 1cel s MET 111 Ca 0.37 -0.35 -0.11 0.00 -1.71 0.00 0.00 55.69 53.89 1cel s MET 111 Cb -0.17 -3.07 -0.29 0.00 2.01 0.00 0.00 34.83 33.31 1cel s MET 111 CO 0.17 0.67 0.57 0.00 -0.01 0.00 0.00 175.02 176.42 1cel h ALA 112 N 3.77 0.23 -4.52 3.03 0.00 -1.07 -3.28 119.26 117.43 1cel h ALA 112 Ca -0.49 -1.20 -0.39 0.00 0.00 0.00 0.00 54.91 52.83 1cel h ALA 112 Cb 1.18 0.53 -0.10 0.00 0.00 0.00 0.00 17.79 19.40 1cel h ALA 112 CO 0.69 1.07 -0.35 -1.13 0.00 0.00 0.00 179.25 179.53 1cel n SER 113 N -3.62 -0.81 0.29 0.00 3.41 -1.05 -4.90 113.62 106.93 1cel n SER 113 Ca -0.27 -2.94 0.19 0.00 -0.26 0.00 0.00 58.87 55.59 1cel n SER 113 Cb 1.04 1.75 0.98 0.00 -0.26 0.00 0.00 64.21 67.73 1cel n SER 113 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1cel h ASP 114 N 1.86 0.00 0.00 4.04 3.32 -2.00 -2.99 116.42 120.65 1cel h ASP 114 Ca -0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1cel h ASP 114 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1cel h ASP 114 CO 0.32 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 178.19 1cel n THR 115 N -2.90 0.42 -3.93 0.35 -2.24 -1.26 -4.19 114.28 100.52 1cel n THR 115 Ca -0.02 -0.66 -0.10 0.00 -2.27 0.00 0.00 64.05 61.00 1cel n THR 115 Cb 0.12 0.84 -0.10 0.00 -2.10 0.00 0.00 70.33 69.09 1cel n THR 115 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1cel s THR 116 N -0.42 0.11 0.27 4.28 -4.23 -1.13 -4.27 115.64 110.26 1cel s THR 116 Ca 0.00 -0.92 -0.13 0.00 -1.18 0.00 0.00 61.69 59.46 1cel s THR 116 Cb 0.00 -0.55 -0.08 0.00 1.34 0.00 0.00 72.50 73.21 1cel s THR 116 CO 0.00 -0.51 0.65 -0.31 -0.54 0.00 0.00 174.62 173.92 1cel s TYR 117 N -1.85 3.41 -0.04 3.99 2.02 -0.07 -0.64 117.35 124.16 1cel s TYR 117 Ca -0.12 1.08 -0.30 0.00 -0.37 0.00 0.00 57.07 57.37 1cel s TYR 117 Cb -0.06 -2.42 -0.03 0.00 -0.40 0.00 0.00 41.96 39.05 1cel s TYR 117 CO -0.01 0.19 1.03 -1.14 -1.57 0.00 0.00 175.55 174.04 1cel s GLN 118 N -2.83 4.47 -0.10 -0.62 2.00 -0.71 -4.30 119.66 117.56 1cel s GLN 118 Ca 0.50 1.47 -0.03 0.00 -2.00 0.00 0.00 55.36 55.30 1cel s GLN 118 Cb -0.11 -3.49 -0.03 0.00 0.80 0.00 0.00 33.01 30.17 1cel s GLN 118 CO 0.19 -0.21 0.02 -1.21 -0.50 0.00 0.00 175.29 173.58 1cel s GLU 119 N 1.54 3.16 -0.05 1.67 0.41 -1.26 -4.30 118.70 119.87 1cel s GLU 119 Ca 0.52 -0.37 0.06 0.00 -0.41 0.00 0.00 54.97 54.76 1cel s GLU 119 Cb -0.21 -2.88 -0.01 0.00 -1.78 0.00 0.00 34.13 29.25 1cel s GLU 119 CO 0.23 0.65 -0.22 -0.06 -0.49 0.00 0.00 175.26 175.37 1cel s PHE 120 N -0.72 2.14 -0.36 1.61 0.40 0.11 -4.84 117.98 116.31 1cel s PHE 120 Ca 0.12 -0.61 -0.12 0.00 -0.60 0.00 0.00 56.93 55.72 1cel s PHE 120 Cb -0.12 -1.41 0.01 0.00 0.51 0.00 0.00 43.02 42.01 1cel s PHE 120 CO 0.02 -0.18 0.23 0.99 0.70 0.00 0.00 175.22 176.98 1cel s THR 121 N -0.14 4.93 0.08 0.64 2.01 -1.26 -1.41 115.64 120.50 1cel s THR 121 Ca -0.02 -0.57 -0.10 0.00 0.31 0.00 0.00 61.69 61.31 1cel s THR 121 Cb -0.12 -3.65 -0.25 0.00 0.01 0.00 0.00 72.50 68.48 1cel s THR 121 CO 0.03 -0.14 1.17 -0.07 -0.69 0.00 0.00 174.62 174.92 1cel h LEU 122 N 8.48 0.70 -9.40 4.42 3.38 -1.63 -3.44 115.31 117.82 1cel h LEU 122 Ca -0.29 -0.63 -0.61 0.00 0.09 0.00 0.00 57.88 56.45 1cel h LEU 122 Cb 1.13 -0.22 0.04 0.00 0.09 0.00 0.00 40.66 41.70 1cel h LEU 122 CO 0.67 1.45 0.86 -0.11 0.09 0.00 0.00 178.44 181.40 1cel n LEU 123 N -3.74 3.05 0.00 1.67 7.94 -0.71 -0.50 117.00 124.72 1cel n LEU 123 Ca -0.11 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 1cel n LEU 123 Cb 0.94 -1.38 0.00 0.00 0.53 0.00 0.00 43.42 43.51 1cel n LEU 123 CO 0.55 -0.29 0.00 0.61 -1.11 0.00 0.00 177.39 177.16 1cel n GLY 124 N 3.67 0.95 3.72 -3.96 0.00 0.17 -4.97 105.19 104.76 1cel n GLY 124 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1cel n GLY 124 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cel s ASN 125 N -3.01 4.01 0.04 1.61 0.01 0.34 -2.75 114.94 115.20 1cel s ASN 125 Ca 0.00 -1.59 0.02 0.00 -0.71 0.00 0.00 52.86 50.58 1cel s ASN 125 Cb 0.00 0.31 -0.02 0.00 0.41 0.00 0.00 41.25 41.95 1cel s ASN 125 CO 0.00 -0.76 -0.07 -1.83 -1.51 0.00 0.00 177.10 172.93 1cel s GLU 126 N -3.83 0.50 -0.09 -0.60 -1.05 0.18 -1.17 118.70 112.64 1cel s GLU 126 Ca 0.13 -0.78 0.03 0.00 -0.15 0.00 0.00 54.97 54.20 1cel s GLU 126 Cb 0.04 -0.19 0.01 0.00 -0.44 0.00 0.00 34.13 33.55 1cel s GLU 126 CO 0.07 0.02 -0.19 0.12 0.95 0.00 0.00 175.26 176.23 1cel s PHE 127 N -1.62 2.07 0.03 4.83 5.36 -0.31 -2.40 117.98 125.95 1cel s PHE 127 Ca -0.09 -0.84 0.06 0.00 -0.96 0.00 0.00 56.93 55.10 1cel s PHE 127 Cb -0.08 -1.43 -0.02 0.00 -0.34 0.00 0.00 43.02 41.14 1cel s PHE 127 CO -0.01 -0.37 -0.17 0.45 -1.46 0.00 0.00 175.22 173.66 1cel s SER 128 N 0.52 2.08 0.08 6.13 0.15 0.02 -1.14 113.70 121.53 1cel s SER 128 Ca -0.16 -0.44 -0.22 0.00 0.70 0.00 0.00 55.95 55.82 1cel s SER 128 Cb -0.17 -0.18 0.05 0.00 -1.71 0.00 0.00 66.02 64.02 1cel s SER 128 CO 0.06 0.13 0.53 0.72 1.20 0.00 0.00 173.24 175.88 1cel s PHE 129 N -0.71 -0.43 0.07 3.44 -0.71 -0.92 -0.70 117.98 118.02 1cel s PHE 129 Ca 0.05 0.39 0.02 0.00 -1.04 0.00 0.00 56.93 56.36 1cel s PHE 129 Cb -0.08 0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 42.07 1cel s PHE 129 CO 0.01 -0.69 0.10 -0.51 -1.34 0.00 0.00 175.22 172.79 1cel s ASP 130 N -2.21 5.68 -0.07 1.98 1.01 -0.04 -0.94 116.67 122.09 1cel s ASP 130 Ca -0.03 0.05 -0.13 0.00 0.71 0.00 0.00 52.55 53.15 1cel s ASP 130 Cb -0.00 -1.57 0.03 0.00 1.01 0.00 0.00 42.92 42.38 1cel s ASP 130 CO -0.05 0.18 0.31 0.54 0.21 0.00 0.00 175.17 176.36 1cel s VAL 131 N -1.40 0.03 -0.31 -1.27 0.11 0.10 -1.27 120.40 116.38 1cel s VAL 131 Ca 0.30 -0.24 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 1cel s VAL 131 Cb -0.12 -0.53 0.08 0.00 -1.53 0.00 0.00 36.38 34.28 1cel s VAL 131 CO 0.23 -0.13 -0.01 -0.62 -3.33 0.00 0.00 175.10 171.24 1cel s ASP 132 N -0.55 4.69 -0.03 3.54 -1.08 -0.69 -2.01 116.67 120.53 1cel s ASP 132 Ca -0.07 -1.75 0.18 0.00 -0.52 0.00 0.00 52.55 50.40 1cel s ASP 132 Cb -0.04 -1.62 0.58 0.00 -1.46 0.00 0.00 42.92 40.38 1cel s ASP 132 CO 0.02 -0.30 1.49 1.33 0.52 0.00 0.00 175.17 178.23 1cel n VAL 133 N 4.39 1.26 0.16 1.11 0.24 -1.26 -3.12 118.33 121.10 1cel n VAL 133 Ca -0.06 -1.09 0.14 0.00 -2.04 0.00 0.00 64.34 61.30 1cel n VAL 133 Cb 0.42 0.38 0.69 0.00 -1.47 0.00 0.00 33.84 33.86 1cel n VAL 133 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1cel h SER 134 N 3.57 0.00 -0.57 -1.34 4.64 -1.83 -2.04 113.55 115.98 1cel h SER 134 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1cel h SER 134 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1cel h SER 134 CO 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 1cel n GLN 135 N -4.37 4.09 -3.69 4.77 1.13 -1.26 -4.81 117.38 113.24 1cel n GLN 135 Ca 0.02 -2.79 -0.38 0.00 -1.94 0.00 0.00 57.00 51.91 1cel n GLN 135 Cb 0.31 -2.04 -0.11 0.00 0.11 0.00 0.00 30.24 28.51 1cel n GLN 135 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1cel s LEU 136 N -2.15 5.26 0.00 1.08 1.43 -0.77 -3.42 118.68 120.11 1cel s LEU 136 Ca 0.49 -1.84 -0.09 0.00 -1.03 0.00 0.00 54.13 51.66 1cel s LEU 136 Cb 0.35 -1.90 0.14 0.00 0.03 0.00 0.00 46.19 44.80 1cel s LEU 136 CO 0.19 -0.56 0.83 -0.81 0.23 0.00 0.00 176.35 176.23 1cel n PRO 137 N 4.74 -0.65 -1.64 1.29 -0.04 -1.26 -1.36 135.00 136.08 1cel n PRO 137 Ca -0.06 -1.46 -0.43 0.00 -0.04 0.00 0.00 63.50 61.52 1cel n PRO 137 Cb 0.42 -0.81 -0.00 0.00 -0.04 0.00 0.00 33.50 33.07 1cel n PRO 137 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1cel n GLY 139 N 1.02 1.29 3.75 0.00 0.00 -1.26 -4.40 105.19 105.59 1cel n GLY 139 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1cel n GLY 139 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cel s LEU 140 N 0.00 3.57 -0.20 0.99 1.43 -1.11 -4.22 118.68 119.13 1cel s LEU 140 Ca 0.00 -0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 52.66 1cel s LEU 140 Cb 0.00 -2.10 0.08 0.00 0.03 0.00 0.00 46.19 44.20 1cel s LEU 140 CO 0.00 -0.02 0.18 0.21 0.23 0.00 0.00 176.35 176.95 1cel s ASN 141 N -3.73 1.80 -0.47 2.29 3.84 -0.53 -4.44 114.94 113.71 1cel s ASN 141 Ca 0.32 -0.42 -0.19 0.00 0.21 0.00 0.00 52.86 52.78 1cel s ASN 141 Cb -0.07 0.15 0.04 0.00 -0.55 0.00 0.00 41.25 40.81 1cel s ASN 141 CO 0.23 -0.34 0.61 -0.83 -2.79 0.00 0.00 177.10 173.97 1cel s GLY 142 N 2.26 1.76 0.02 1.21 0.00 -0.27 -1.82 107.32 110.47 1cel s GLY 142 Ca 0.05 -1.52 0.03 0.00 0.00 0.00 0.00 44.72 43.28 1cel s GLY 142 CO -0.13 1.46 -0.03 0.00 0.00 0.00 0.00 173.10 174.40 1cel s ALA 143 N 2.64 3.18 -0.10 3.20 0.00 0.04 -3.24 121.76 127.49 1cel s ALA 143 Ca 0.17 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 1cel s ALA 143 Cb -0.17 -1.23 0.03 0.00 0.00 0.00 0.00 23.12 21.74 1cel s ALA 143 CO 0.15 0.64 -0.03 -1.17 0.00 0.00 0.00 175.76 175.35 1cel s LEU 144 N -1.64 0.91 0.32 0.00 0.20 -0.17 -0.79 118.68 117.51 1cel s LEU 144 Ca 0.20 -0.23 -0.11 0.00 0.69 0.00 0.00 54.13 54.68 1cel s LEU 144 Cb -0.11 -0.64 0.02 0.00 -0.43 0.00 0.00 46.19 45.02 1cel s LEU 144 CO 0.11 -0.16 0.58 -0.72 -0.29 0.00 0.00 176.35 175.87 1cel s TYR 145 N 1.84 0.48 0.01 5.38 1.13 -0.53 -1.10 117.35 124.55 1cel s TYR 145 Ca 0.05 -0.89 0.07 0.00 -1.41 0.00 0.00 57.07 54.88 1cel s TYR 145 Cb -0.13 0.32 -0.02 0.00 -1.10 0.00 0.00 41.96 41.04 1cel s TYR 145 CO -0.07 -1.22 -0.20 -0.06 -2.51 0.00 0.00 175.55 171.49 1cel s PHE 146 N -3.23 1.81 0.06 -3.49 0.40 -0.00 -0.58 117.98 112.95 1cel s PHE 146 Ca 0.22 -0.35 0.03 0.00 -0.60 0.00 0.00 56.93 56.23 1cel s PHE 146 Cb -0.02 -1.13 -0.03 0.00 0.51 0.00 0.00 43.02 42.35 1cel s PHE 146 CO 0.13 0.02 -0.10 0.14 0.70 0.00 0.00 175.22 176.11 1cel s VAL 147 N -0.60 0.76 -1.41 -0.44 -7.23 -0.84 -0.43 120.40 110.21 1cel s VAL 147 Ca 0.08 -1.29 -0.11 0.00 -1.81 0.00 0.00 61.98 58.85 1cel s VAL 147 Cb -0.08 -0.93 0.07 0.00 0.56 0.00 0.00 36.38 36.00 1cel s VAL 147 CO 0.00 -0.41 2.25 -1.20 -0.31 0.00 0.00 175.10 175.44 1cel n SER 148 N 1.16 5.64 -4.91 4.85 7.64 -0.88 -0.64 113.62 126.47 1cel n SER 148 Ca -0.20 -2.93 -0.27 0.00 1.01 0.00 0.00 58.87 56.47 1cel n SER 148 Cb 0.55 -1.54 -0.02 0.00 -1.01 0.00 0.00 64.21 62.19 1cel n SER 148 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1cel s MET 149 N 1.50 3.59 0.45 1.43 -1.94 -1.26 -3.07 119.30 120.00 1cel s MET 149 Ca 0.49 -0.05 -0.21 0.00 -1.71 0.00 0.00 55.69 54.21 1cel s MET 149 Cb 0.14 -2.63 -0.09 0.00 2.01 0.00 0.00 34.83 34.26 1cel s MET 149 CO -0.05 0.17 1.02 -0.51 -0.01 0.00 0.00 175.02 175.63 1cel s ASP 150 N -3.42 6.58 0.45 3.03 1.01 -1.26 -4.66 116.67 118.40 1cel s ASP 150 Ca 0.43 1.90 0.17 0.00 0.71 0.00 0.00 52.55 55.76 1cel s ASP 150 Cb -0.10 -2.56 1.06 0.00 1.01 0.00 0.00 42.92 42.32 1cel s ASP 150 CO 0.32 -0.61 1.98 0.00 0.21 0.00 0.00 175.17 177.07 1cel h ALA 151 N 1.87 1.53 -0.49 5.23 0.00 -1.98 -2.35 119.26 123.07 1cel h ALA 151 Ca -0.49 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1cel h ALA 151 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1cel h ALA 151 CO 0.60 0.26 0.00 -0.40 0.00 0.00 0.00 179.25 179.71 1cel n ASP 152 N -4.10 3.20 0.00 0.00 5.68 -1.26 -0.90 116.55 119.18 1cel n ASP 152 Ca -0.02 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 1cel n ASP 152 Cb 0.28 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 1cel n ASP 152 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cel n GLY 153 N 1.46 0.43 0.00 6.12 0.00 -0.89 -2.55 105.19 109.77 1cel n GLY 153 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1cel n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cel n GLY 154 N -2.03 0.58 0.29 -0.02 0.00 -1.26 -2.93 105.19 99.82 1cel n GLY 154 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1cel n GLY 154 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1cel h VAL 155 N 0.00 0.84 0.00 1.61 2.07 -1.80 -0.25 116.25 118.72 1cel h VAL 155 Ca 0.00 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1cel h VAL 155 Cb 0.00 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1cel h VAL 155 CO 0.00 0.12 -0.18 0.77 0.02 0.00 0.00 177.57 178.30 1cel h SER 156 N 0.65 0.00 0.23 0.57 4.64 -1.90 -3.09 113.55 114.66 1cel h SER 156 Ca 0.38 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.39 1cel h SER 156 Cb 0.43 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.46 1cel h SER 156 CO -0.28 0.18 -2.05 0.29 -0.87 0.00 0.00 176.83 174.09 1cel n LYS 157 N -3.49 0.66 -3.82 4.77 5.02 -0.80 -4.78 118.16 115.73 1cel n LYS 157 Ca -0.01 0.11 -0.30 0.00 -2.02 0.00 0.00 58.31 56.10 1cel n LYS 157 Cb 0.35 -1.64 -0.14 0.00 -0.02 0.00 0.00 35.03 33.58 1cel n LYS 157 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1cel s TYR 158 N -2.60 2.50 0.52 2.13 2.02 -0.17 -5.00 117.35 116.74 1cel s TYR 158 Ca -0.07 -2.60 0.28 0.00 -0.37 0.00 0.00 57.07 54.31 1cel s TYR 158 Cb 0.07 -2.25 1.40 0.00 -0.40 0.00 0.00 41.96 40.78 1cel s TYR 158 CO 0.83 -0.81 1.91 -1.00 -1.57 0.00 0.00 175.55 174.91 1cel h PRO 159 N 7.00 0.07 0.00 -1.71 0.13 -1.85 -0.65 132.00 134.98 1cel h PRO 159 Ca -0.05 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1cel h PRO 159 Cb 0.94 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1cel h PRO 159 CO 0.54 0.04 0.00 0.25 -0.23 0.00 0.00 178.00 178.60 1cel n THR 160 N -4.34 0.53 -3.25 1.56 -2.24 -1.26 -4.32 114.28 100.96 1cel n THR 160 Ca 0.16 0.13 -0.44 0.00 -2.27 0.00 0.00 64.05 61.63 1cel n THR 160 Cb 0.82 -0.78 -0.06 0.00 -2.10 0.00 0.00 70.33 68.21 1cel n THR 160 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1cel s ASN 161 N -2.90 6.19 0.00 3.42 2.47 -0.25 -4.37 114.94 119.50 1cel s ASN 161 Ca 0.12 -1.24 0.10 0.00 0.42 0.00 0.00 52.86 52.26 1cel s ASN 161 Cb 0.14 -2.24 0.07 0.00 -1.45 0.00 0.00 41.25 37.76 1cel s ASN 161 CO 0.36 -0.84 0.79 0.35 -3.72 0.00 0.00 177.10 174.04 1cel n THR 162 N 5.42 0.00 0.02 -5.21 -2.24 -1.26 -4.56 114.28 106.44 1cel n THR 162 Ca -0.10 -0.49 -0.18 0.00 -2.27 0.00 0.00 64.05 61.01 1cel n THR 162 Cb 0.44 1.19 -0.12 0.00 -2.10 0.00 0.00 70.33 69.74 1cel n THR 162 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cel h ALA 163 N 1.86 0.01 -0.82 6.98 0.00 -1.89 -3.42 119.26 121.98 1cel h ALA 163 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1cel h ALA 163 Cb 0.39 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1cel h ALA 163 CO 0.00 0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.99 1cel n GLY 164 N 1.27 0.21 0.34 0.00 0.00 -1.26 -3.75 105.19 102.00 1cel n GLY 164 Ca -0.11 -0.96 0.09 0.00 0.00 0.00 0.00 46.02 45.04 1cel n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cel h ALA 165 N -0.75 1.90 -0.50 4.61 0.00 -1.68 -2.11 119.26 120.72 1cel h ALA 165 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.02 1cel h ALA 165 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1cel h ALA 165 CO 0.00 -0.00 0.35 -0.22 0.00 0.00 0.00 179.25 179.38 1cel h LYS 166 N 0.50 0.09 -0.32 0.00 3.64 -1.73 -0.67 116.57 118.08 1cel h LYS 166 Ca 0.25 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1cel h LYS 166 Cb 0.36 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1cel h LYS 166 CO -0.07 0.06 0.00 0.66 -2.27 0.00 0.00 179.45 177.83 1cel n TYR 167 N -4.42 0.97 -3.29 1.91 4.01 -0.84 -4.93 117.16 110.58 1cel n TYR 167 Ca 0.09 -0.78 -0.17 0.00 -0.16 0.00 0.00 57.90 56.88 1cel n TYR 167 Cb 0.51 -0.27 0.06 0.00 -0.31 0.00 0.00 39.34 39.33 1cel n TYR 167 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cel n GLY 168 N -0.13 -0.19 3.97 2.72 0.00 -0.26 -3.45 105.19 107.85 1cel n GLY 168 Ca 0.20 0.02 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 1cel n GLY 168 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cel s THR 169 N -3.25 3.54 0.00 2.61 -4.23 -0.94 -1.65 115.64 111.71 1cel s THR 169 Ca 0.35 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 60.23 1cel s THR 169 Cb -0.16 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.39 1cel s THR 169 CO 0.56 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 1cel n GLY 170 N -2.09 0.78 3.74 3.99 0.00 -1.15 -4.43 105.19 106.02 1cel n GLY 170 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1cel n GLY 170 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1cel n TYR 171 N -2.35 2.25 -3.48 1.61 9.36 -1.26 -4.71 117.16 118.57 1cel n TYR 171 Ca 0.00 0.43 -0.15 0.00 3.32 0.00 0.00 57.90 61.50 1cel n TYR 171 Cb 0.00 -2.35 -0.04 0.00 -0.63 0.00 0.00 39.34 36.31 1cel n TYR 171 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1cel s ASP 173 N -1.97 0.06 0.06 0.00 1.47 -1.05 -4.75 116.67 110.48 1cel s ASP 173 Ca -0.05 -1.13 0.17 0.00 1.18 0.00 0.00 52.55 52.72 1cel s ASP 173 Cb -0.01 0.83 0.72 0.00 -0.34 0.00 0.00 42.92 44.12 1cel s ASP 173 CO -0.02 -1.63 1.54 -1.54 0.68 0.00 0.00 175.17 174.20 1cel n SER 174 N -1.33 0.17 0.01 2.11 3.41 -0.59 -1.71 113.62 115.69 1cel n SER 174 Ca -0.07 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.21 1cel n SER 174 Cb 0.60 -0.58 0.52 0.00 -0.26 0.00 0.00 64.21 64.49 1cel n SER 174 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cel n GLN 175 N -1.68 0.02 -3.62 4.33 1.13 -1.26 -4.01 117.38 112.28 1cel n GLN 175 Ca 0.03 0.01 -0.27 0.00 -1.94 0.00 0.00 57.00 54.83 1cel n GLN 175 Cb 0.19 -1.52 0.04 0.00 0.11 0.00 0.00 30.24 29.07 1cel n GLN 175 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1cel n PRO 177 N -4.04 1.88 -0.03 0.00 -0.04 -1.23 -3.95 135.00 127.58 1cel n PRO 177 Ca -0.12 0.68 0.12 0.00 -0.04 0.00 0.00 63.50 64.14 1cel n PRO 177 Cb 0.61 -2.45 0.16 0.00 -0.04 0.00 0.00 33.50 31.78 1cel n PRO 177 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1cel n ARG 178 N 4.92 2.28 0.00 0.54 1.74 -1.26 -2.33 116.66 122.55 1cel n ARG 178 Ca 0.21 -1.87 0.14 0.00 -0.77 0.00 0.00 57.85 55.56 1cel n ARG 178 Cb 0.25 -1.47 0.63 0.00 -1.02 0.00 0.00 32.46 30.86 1cel n ARG 178 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1cel n ASP 179 N 1.23 0.52 -4.73 0.55 5.75 -1.26 -0.38 116.55 118.23 1cel n ASP 179 Ca 0.15 -0.69 -0.41 0.00 -0.01 0.00 0.00 54.79 53.83 1cel n ASP 179 Cb 0.57 -0.06 -0.03 0.00 -1.03 0.00 0.00 41.12 40.57 1cel n ASP 179 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1cel s LEU 180 N -2.39 4.40 0.14 -2.12 1.43 -1.26 -4.76 118.68 114.12 1cel s LEU 180 Ca 0.31 2.43 0.04 0.00 -1.03 0.00 0.00 54.13 55.88 1cel s LEU 180 Cb 0.20 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.72 1cel s LEU 180 CO 0.45 -0.59 1.32 0.11 0.23 0.00 0.00 176.35 177.88 1cel h LYS 181 N 5.63 0.12 -4.15 1.70 1.57 -1.94 -3.41 116.57 116.08 1cel h LYS 181 Ca -0.44 -0.16 -0.47 0.00 -1.87 0.00 0.00 60.65 57.71 1cel h LYS 181 Cb 1.21 0.05 -0.35 0.00 0.08 0.00 0.00 32.23 33.23 1cel h LYS 181 CO 0.79 0.98 -0.79 -0.06 -0.57 0.00 0.00 179.45 179.81 1cel s PHE 182 N -2.97 1.08 -0.03 -1.35 0.08 -1.26 -0.15 117.98 113.37 1cel s PHE 182 Ca -0.02 -0.40 -0.00 0.00 0.12 0.00 0.00 56.93 56.63 1cel s PHE 182 Cb 0.10 -0.91 0.03 0.00 -0.57 0.00 0.00 43.02 41.67 1cel s PHE 182 CO 0.83 -0.30 0.03 0.42 -0.10 0.00 0.00 175.22 176.09 1cel s ILE 183 N 1.18 -0.01 -1.39 0.64 1.01 -0.14 -4.80 121.20 117.69 1cel s ILE 183 Ca -0.06 0.22 -0.10 0.00 0.00 0.00 0.00 60.65 60.71 1cel s ILE 183 Cb -0.14 -0.14 0.02 0.00 0.01 0.00 0.00 42.46 42.22 1cel s ILE 183 CO -0.02 0.12 1.15 0.59 0.00 0.00 0.00 174.94 176.78 1cel n ASN 184 N 4.35 -6.09 0.00 3.58 4.13 -1.26 -2.25 115.26 117.72 1cel n ASN 184 Ca -0.24 -0.58 0.00 0.00 1.68 0.00 0.00 54.58 55.44 1cel n ASN 184 Cb 0.50 -4.83 0.00 0.00 -1.54 0.00 0.00 39.78 33.91 1cel n ASN 184 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1cel n GLY 185 N -1.95 0.44 3.26 7.41 0.00 -1.26 -4.87 105.19 108.21 1cel n GLY 185 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 1cel n GLY 185 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cel s GLN 186 N -0.46 1.09 0.97 1.61 -0.21 -0.96 -4.35 119.66 117.36 1cel s GLN 186 Ca 0.00 -1.43 -0.14 0.00 0.02 0.00 0.00 55.36 53.81 1cel s GLN 186 Cb 0.00 -0.75 0.18 0.00 1.00 0.00 0.00 33.01 33.44 1cel s GLN 186 CO 0.00 0.11 1.17 0.00 -2.12 0.00 0.00 175.29 174.45 1cel s ALA 187 N -3.04 1.66 -0.27 6.09 0.00 -0.94 -0.97 121.76 124.29 1cel s ALA 187 Ca 0.16 -0.74 0.09 0.00 0.00 0.00 0.00 51.96 51.47 1cel s ALA 187 Cb 0.01 -2.96 0.45 0.00 0.00 0.00 0.00 23.12 20.62 1cel s ALA 187 CO 0.02 -2.55 1.25 -1.71 0.00 0.00 0.00 175.76 172.77 1cel n ASN 188 N -3.94 3.43 0.07 0.00 5.15 0.78 -4.66 115.26 116.09 1cel n ASN 188 Ca 0.09 -3.82 -0.04 0.00 -0.60 0.00 0.00 54.58 50.21 1cel n ASN 188 Cb 0.59 -0.46 0.17 0.00 -0.53 0.00 0.00 39.78 39.55 1cel n ASN 188 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 1cel h VAL 189 N 1.55 1.33 -2.80 3.44 3.04 -1.92 -3.38 116.25 117.51 1cel h VAL 189 Ca 0.21 -1.69 -0.54 0.00 -1.01 0.00 0.00 66.70 63.67 1cel h VAL 189 Cb 1.30 1.77 0.01 0.00 -2.01 0.00 0.00 31.29 32.36 1cel h VAL 189 CO 0.43 0.51 0.91 -1.61 -1.01 0.00 0.00 177.57 176.80 1cel s GLU 190 N -4.03 4.24 0.00 4.17 2.02 -1.26 -2.15 118.70 121.69 1cel s GLU 190 Ca -0.05 2.12 0.00 0.00 0.02 0.00 0.00 54.97 57.06 1cel s GLU 190 Cb 0.13 -3.61 0.00 0.00 0.10 0.00 0.00 34.13 30.75 1cel s GLU 190 CO 0.79 -0.66 0.00 0.41 0.02 0.00 0.00 175.26 175.82 1cel n GLY 191 N 3.81 0.62 3.72 -1.39 0.00 -1.26 -1.49 105.19 109.19 1cel n GLY 191 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1cel n GLY 191 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1cel s TRP 192 N -2.39 2.83 -0.20 1.61 -0.11 -0.91 -3.98 118.94 115.79 1cel s TRP 192 Ca 0.00 0.33 0.01 0.00 1.22 0.00 0.00 56.10 57.66 1cel s TRP 192 Cb 0.00 -4.12 0.04 0.00 -1.50 0.00 0.00 33.47 27.89 1cel s TRP 192 CO 0.00 -4.28 -0.10 -1.21 -4.62 0.00 0.00 176.95 166.73 1cel s GLU 193 N 1.37 2.05 0.52 5.86 0.41 0.14 -4.96 118.70 124.09 1cel s GLU 193 Ca 0.75 -0.85 -0.21 0.00 -0.41 0.00 0.00 54.97 54.25 1cel s GLU 193 Cb -0.49 -2.42 -0.06 0.00 -1.78 0.00 0.00 34.13 29.39 1cel s GLU 193 CO 0.32 -0.42 1.22 -2.14 -0.49 0.00 0.00 175.26 173.75 1cel s PRO 194 N 1.39 3.41 0.23 0.39 0.02 -1.26 -0.55 135.00 138.63 1cel s PRO 194 Ca -0.01 1.89 -0.30 0.00 0.02 0.00 0.00 61.00 62.60 1cel s PRO 194 Cb -0.16 -2.24 -0.09 0.00 0.02 0.00 0.00 34.50 32.03 1cel s PRO 194 CO -0.08 -0.87 1.15 -1.12 -0.33 0.00 0.00 177.00 175.75 1cel s SER 195 N -1.34 7.16 0.44 2.53 0.01 -0.01 -4.84 113.70 117.65 1cel s SER 195 Ca 0.69 2.26 0.23 0.00 1.31 0.00 0.00 55.95 60.44 1cel s SER 195 Cb -0.32 -2.62 0.90 0.00 0.21 0.00 0.00 66.02 64.20 1cel s SER 195 CO 0.37 -0.27 1.82 0.28 0.41 0.00 0.00 173.24 175.85 1cel h SER 196 N 4.54 0.00 -0.02 2.44 0.02 -1.93 -3.27 113.55 115.34 1cel h SER 196 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1cel h SER 196 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1cel h SER 196 CO 0.71 0.24 0.00 -0.46 -1.14 0.00 0.00 176.83 176.17 1cel n ASN 197 N -3.41 1.47 -3.72 3.07 6.94 -1.26 -4.94 115.26 113.41 1cel n ASN 197 Ca 0.00 -1.25 -0.27 0.00 -0.02 0.00 0.00 54.58 53.04 1cel n ASN 197 Cb 0.44 -0.01 -0.17 0.00 -2.36 0.00 0.00 39.78 37.68 1cel n ASN 197 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1cel s ASN 198 N -0.45 2.62 0.23 0.53 3.84 -1.23 -5.00 114.94 115.48 1cel s ASN 198 Ca 0.06 -0.68 0.18 0.00 0.21 0.00 0.00 52.86 52.64 1cel s ASN 198 Cb 0.04 -0.52 0.91 0.00 -0.55 0.00 0.00 41.25 41.13 1cel s ASN 198 CO 0.06 -0.29 1.56 0.00 -2.79 0.00 0.00 177.10 175.64 1cel n ALA 199 N 5.10 1.25 0.32 1.71 0.00 -1.26 -2.80 120.51 124.82 1cel n ALA 199 Ca -0.08 0.12 0.04 0.00 0.00 0.00 0.00 53.44 53.52 1cel n ALA 199 Cb 0.48 -1.28 0.02 0.00 0.00 0.00 0.00 19.45 18.67 1cel n ALA 199 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1cel n ASN 200 N -2.09 1.48 -4.35 0.00 3.02 -1.26 -2.14 115.26 109.92 1cel n ASN 200 Ca 0.00 -1.24 -0.18 0.00 -0.03 0.00 0.00 54.58 53.13 1cel n ASN 200 Cb 0.09 0.12 -0.10 0.00 -0.61 0.00 0.00 39.78 39.27 1cel n ASN 200 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1cel s THR 201 N -0.75 0.77 0.18 3.41 -4.23 -1.12 -4.59 115.64 109.31 1cel s THR 201 Ca 0.08 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.52 1cel s THR 201 Cb 0.06 -2.64 0.03 0.00 1.34 0.00 0.00 72.50 71.29 1cel s THR 201 CO 0.12 -0.04 0.38 0.61 -0.54 0.00 0.00 174.62 175.14 1cel n GLY 202 N -0.51 1.49 3.04 3.99 0.00 -1.26 -0.83 105.19 111.11 1cel n GLY 202 Ca -0.01 -1.12 -0.27 0.00 0.00 0.00 0.00 46.02 44.61 1cel n GLY 202 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cel s ILE 203 N -2.56 1.36 0.42 -0.61 -1.09 0.29 -4.12 121.20 114.89 1cel s ILE 203 Ca 0.08 -0.58 0.04 0.00 -2.23 0.00 0.00 60.65 57.97 1cel s ILE 203 Cb -0.02 -1.25 0.07 0.00 -1.58 0.00 0.00 42.46 39.68 1cel s ILE 203 CO 0.06 0.41 0.58 0.61 -1.23 0.00 0.00 174.94 175.37 1cel n GLY 204 N 4.09 1.57 0.01 6.18 0.00 0.49 0.27 105.19 117.79 1cel n GLY 204 Ca -0.20 -2.14 0.14 0.00 0.00 0.00 0.00 46.02 43.82 1cel n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cel n GLY 205 N 0.13 -1.38 3.22 -0.02 0.00 -0.56 -4.79 105.19 101.79 1cel n GLY 205 Ca 0.11 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 1cel n GLY 205 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1cel s HIS 206 N -2.90 1.35 0.33 1.61 3.76 -1.26 -0.76 115.29 117.43 1cel s HIS 206 Ca 0.17 -0.52 0.03 0.00 -0.15 0.00 0.00 55.06 54.59 1cel s HIS 206 Cb 0.19 -0.73 -0.05 0.00 1.11 0.00 0.00 32.58 33.10 1cel s HIS 206 CO 0.55 0.11 0.08 0.20 -0.85 0.00 0.00 174.74 174.83 1cel s GLY 207 N -2.20 2.14 -0.24 -2.22 0.00 -0.53 -4.40 107.32 99.87 1cel s GLY 207 Ca 0.05 -1.81 0.00 0.00 0.00 0.00 0.00 44.72 42.96 1cel s GLY 207 CO 0.03 -1.77 -0.03 -0.45 0.00 0.00 0.00 173.10 170.87 1cel s SER 208 N -3.48 3.76 0.08 1.64 0.15 -0.98 -1.30 113.70 113.55 1cel s SER 208 Ca 0.34 -1.18 0.00 0.00 0.70 0.00 0.00 55.95 55.81 1cel s SER 208 Cb 0.07 -1.10 -0.04 0.00 -1.71 0.00 0.00 66.02 63.24 1cel s SER 208 CO 0.15 -0.26 0.23 0.00 1.20 0.00 0.00 173.24 174.56 1cel s SER 211 N -2.35 4.99 -0.07 0.00 0.01 -0.64 -1.53 113.70 114.10 1cel s SER 211 Ca 0.12 2.73 -0.04 0.00 1.31 0.00 0.00 55.95 60.08 1cel s SER 211 Cb 0.01 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.65 1cel s SER 211 CO -0.04 -1.75 0.17 -0.70 0.41 0.00 0.00 173.24 171.33 1cel s GLU 212 N -3.08 0.14 -0.38 12.44 2.12 -1.08 -2.08 118.70 126.77 1cel s GLU 212 Ca 0.76 0.37 -0.01 0.00 0.36 0.00 0.00 54.97 56.45 1cel s GLU 212 Cb -0.40 -0.10 0.10 0.00 0.26 0.00 0.00 34.13 33.99 1cel s GLU 212 CO 0.45 -0.13 0.14 1.41 -0.54 0.00 0.00 175.26 176.60 1cel s MET 213 N 0.93 1.89 -0.84 4.30 -2.45 0.42 -0.85 119.30 122.71 1cel s MET 213 Ca -0.07 -1.79 -0.21 0.00 -1.25 0.00 0.00 55.69 52.37 1cel s MET 213 Cb -0.09 -3.44 0.10 0.00 1.25 0.00 0.00 34.83 32.65 1cel s MET 213 CO -0.05 -0.99 1.11 -0.51 1.05 0.00 0.00 175.02 175.62 1cel s ASP 214 N 1.52 6.44 0.22 1.11 1.01 0.05 -0.82 116.67 126.19 1cel s ASP 214 Ca 0.08 -1.56 -0.03 0.00 0.71 0.00 0.00 52.55 51.74 1cel s ASP 214 Cb -0.21 -2.43 0.19 0.00 1.01 0.00 0.00 42.92 41.48 1cel s ASP 214 CO -0.05 -1.27 1.60 0.40 0.21 0.00 0.00 175.17 176.07 1cel h ILE 215 N 6.00 1.28 -2.43 0.77 2.04 -1.80 0.14 117.51 123.51 1cel h ILE 215 Ca -0.01 -1.45 -0.16 0.00 1.00 0.00 0.00 64.86 64.23 1cel h ILE 215 Cb 1.04 1.39 -0.30 0.00 -0.74 0.00 0.00 36.82 38.21 1cel h ILE 215 CO 1.17 0.47 -0.46 0.86 0.00 0.00 0.00 178.15 180.19 1cel s TRP 216 N -4.42 -0.66 -0.18 1.37 -0.11 -0.26 -4.48 118.94 110.19 1cel s TRP 216 Ca -0.08 1.08 -0.01 0.00 1.22 0.00 0.00 56.10 58.30 1cel s TRP 216 Cb 0.13 0.08 0.05 0.00 -1.50 0.00 0.00 33.47 32.22 1cel s TRP 216 CO 0.83 -0.53 -0.03 -1.21 -4.62 0.00 0.00 176.95 171.40 1cel s GLU 217 N 2.52 1.21 0.23 5.86 2.02 -1.06 -1.00 118.70 128.47 1cel s GLU 217 Ca 0.04 -0.55 -0.23 0.00 0.02 0.00 0.00 54.97 54.25 1cel s GLU 217 Cb -0.13 -2.09 0.04 0.00 0.10 0.00 0.00 34.13 32.05 1cel s GLU 217 CO -0.12 -0.51 0.79 0.00 0.02 0.00 0.00 175.26 175.43 1cel s ALA 218 N 1.67 -1.39 0.00 5.21 0.00 -1.20 -1.23 121.76 124.82 1cel s ALA 218 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1cel s ALA 218 Cb -0.16 0.78 0.00 0.00 0.00 0.00 0.00 23.12 23.74 1cel s ALA 218 CO -0.07 -1.01 0.00 0.27 0.00 0.00 0.00 175.76 174.94 1cel n ASN 219 N -0.45 0.00 0.00 0.00 0.23 -0.82 -1.12 115.26 113.10 1cel n ASN 219 Ca -0.06 -0.77 0.10 0.00 -0.53 0.00 0.00 54.58 53.32 1cel n ASN 219 Cb 0.60 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 38.76 1cel n ASN 219 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1cel n SER 220 N -1.82 0.00 -0.13 0.53 3.41 -0.46 -4.00 113.62 111.14 1cel n SER 220 Ca 0.00 0.27 -0.25 0.00 -0.26 0.00 0.00 58.87 58.63 1cel n SER 220 Cb 0.00 -0.40 -0.10 0.00 -0.26 0.00 0.00 64.21 63.44 1cel n SER 220 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1cel n ILE 221 N -1.40 1.46 -4.10 -1.33 2.08 -1.26 -3.58 119.36 111.22 1cel n ILE 221 Ca 0.07 -0.43 -0.08 0.00 0.56 0.00 0.00 62.75 62.87 1cel n ILE 221 Cb 0.20 -1.71 -0.10 0.00 -0.75 0.00 0.00 39.64 37.28 1cel n ILE 221 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 1cel s SER 222 N -7.10 0.38 -0.04 4.38 0.01 -1.26 -4.63 113.70 105.45 1cel s SER 222 Ca -0.36 -1.07 -0.11 0.00 1.31 0.00 0.00 55.95 55.72 1cel s SER 222 Cb 0.13 0.25 0.02 0.00 0.21 0.00 0.00 66.02 66.63 1cel s SER 222 CO 0.50 -0.67 0.26 -1.83 0.41 0.00 0.00 173.24 171.91 1cel s GLU 223 N -3.97 0.49 0.02 12.44 4.04 -1.26 -1.95 118.70 128.51 1cel s GLU 223 Ca 0.14 -0.02 0.00 0.00 0.04 0.00 0.00 54.97 55.13 1cel s GLU 223 Cb 0.07 0.22 -0.02 0.00 0.02 0.00 0.00 34.13 34.43 1cel s GLU 223 CO -0.05 -0.11 -0.03 0.00 -1.84 0.00 0.00 175.26 173.23 1cel s ALA 224 N -0.79 0.16 -0.16 -0.84 0.00 -0.36 -4.22 121.76 115.56 1cel s ALA 224 Ca -0.09 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.42 1cel s ALA 224 Cb -0.05 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.18 1cel s ALA 224 CO 0.02 -0.10 -0.19 -1.17 0.00 0.00 0.00 175.76 174.33 1cel s LEU 225 N -1.10 2.25 -0.20 0.00 2.96 -0.60 -2.58 118.68 119.41 1cel s LEU 225 Ca -0.11 -0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 53.19 1cel s LEU 225 Cb -0.07 -1.50 0.10 0.00 0.50 0.00 0.00 46.19 45.22 1cel s LEU 225 CO -0.01 0.06 0.31 -0.89 -1.32 0.00 0.00 176.35 174.50 1cel s THR 226 N 0.96 -0.49 0.16 3.68 2.01 0.50 -0.43 115.64 122.03 1cel s THR 226 Ca -0.03 0.04 -0.21 0.00 0.31 0.00 0.00 61.69 61.80 1cel s THR 226 Cb -0.15 -0.66 -0.08 0.00 0.01 0.00 0.00 72.50 71.62 1cel s THR 226 CO -0.04 -0.06 0.69 -2.84 -0.69 0.00 0.00 174.62 171.68 1cel s PRO 227 N 2.46 4.31 -0.27 4.92 0.02 -1.25 -0.77 135.00 144.43 1cel s PRO 227 Ca 0.06 0.89 -0.01 0.00 0.02 0.00 0.00 61.00 61.97 1cel s PRO 227 Cb -0.14 -3.08 0.08 0.00 0.02 0.00 0.00 34.50 31.38 1cel s PRO 227 CO -0.13 0.51 0.05 -1.01 -0.33 0.00 0.00 177.00 176.10 1cel s HIS 228 N -1.31 1.82 0.67 6.54 3.76 -0.03 -2.43 115.29 124.31 1cel s HIS 228 Ca 0.37 -1.63 -0.11 0.00 -0.15 0.00 0.00 55.06 53.54 1cel s HIS 228 Cb -0.19 -1.62 -0.01 0.00 1.11 0.00 0.00 32.58 31.88 1cel s HIS 228 CO 0.22 -0.80 1.07 -1.25 -0.85 0.00 0.00 174.74 173.12 1cel s PRO 229 N 1.58 3.14 0.01 8.40 0.04 -1.26 -2.64 135.00 144.27 1cel s PRO 229 Ca 0.04 0.63 -0.01 0.00 0.04 0.00 0.00 61.00 61.71 1cel s PRO 229 Cb -0.18 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.31 1cel s PRO 229 CO -0.17 -0.87 0.00 0.00 0.04 0.00 0.00 177.00 176.00 1cel h THR 231 N 4.72 0.46 -3.35 0.00 1.35 -1.30 -3.36 112.91 111.44 1cel h THR 231 Ca -0.30 -0.58 -0.67 0.00 -0.55 0.00 0.00 66.41 64.31 1cel h THR 231 Cb 1.21 1.40 -0.33 0.00 -1.73 0.00 0.00 68.15 68.70 1cel h THR 231 CO 0.43 0.11 -0.79 -0.89 -0.25 0.00 0.00 175.52 174.14 1cel s THR 232 N -4.05 2.63 0.07 6.82 2.01 -1.26 -5.05 115.64 116.81 1cel s THR 232 Ca -0.02 -0.93 -0.24 0.00 0.31 0.00 0.00 61.69 60.81 1cel s THR 232 Cb 0.12 -2.25 -0.16 0.00 0.01 0.00 0.00 72.50 70.23 1cel s THR 232 CO 0.57 0.35 1.65 0.58 -0.69 0.00 0.00 174.62 177.08 1cel h VAL 233 N 6.02 0.98 -4.36 3.82 2.07 -1.97 -3.41 116.25 119.40 1cel h VAL 233 Ca -0.38 -0.17 -0.35 0.00 0.82 0.00 0.00 66.70 66.61 1cel h VAL 233 Cb 1.13 1.09 0.10 0.00 -1.52 0.00 0.00 31.29 32.08 1cel h VAL 233 CO 0.60 0.04 0.19 0.61 0.02 0.00 0.00 177.57 179.03 1cel n GLY 234 N -0.93 -0.23 3.70 2.17 0.00 -1.26 -1.63 105.19 107.02 1cel n GLY 234 Ca -0.08 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 1cel n GLY 234 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1cel n GLN 235 N -2.78 2.68 -3.70 1.61 0.00 -1.17 -4.39 117.38 109.63 1cel n GLN 235 Ca 0.13 0.97 -0.11 0.00 -0.00 0.00 0.00 57.00 57.99 1cel n GLN 235 Cb 0.46 -2.81 -0.10 0.00 0.00 0.00 0.00 30.24 27.78 1cel n GLN 235 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1cel s GLU 236 N 1.53 0.44 0.45 3.69 2.12 -0.30 -4.98 118.70 121.64 1cel s GLU 236 Ca 0.77 0.79 -0.23 0.00 0.36 0.00 0.00 54.97 56.67 1cel s GLU 236 Cb -0.53 0.04 -0.08 0.00 0.26 0.00 0.00 34.13 33.82 1cel s GLU 236 CO 0.34 -0.14 1.14 -1.50 -0.54 0.00 0.00 175.26 174.56 1cel s ILE 237 N 1.22 3.26 0.25 -3.70 2.07 -1.26 -0.89 121.20 122.15 1cel s ILE 237 Ca -0.08 0.94 0.06 0.00 -1.41 0.00 0.00 60.65 60.17 1cel s ILE 237 Cb -0.07 -3.47 -0.05 0.00 0.13 0.00 0.00 42.46 38.99 1cel s ILE 237 CO -0.11 -0.02 -0.07 0.00 -1.91 0.00 0.00 174.94 172.83 1cel s GLU 239 N -3.73 2.08 5.93 0.00 2.12 -1.26 -1.46 118.70 122.37 1cel s GLU 239 Ca 0.27 -0.49 0.00 0.00 0.36 0.00 0.00 54.97 55.11 1cel s GLU 239 Cb 0.03 -1.87 0.00 0.00 0.26 0.00 0.00 34.13 32.55 1cel s GLU 239 CO 0.10 -0.15 0.00 0.41 -0.54 0.00 0.00 175.26 175.08 1cel n GLY 240 N 4.50 3.19 0.06 -1.50 0.00 0.07 -2.01 105.19 109.50 1cel n GLY 240 Ca -0.17 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 45.79 1cel n GLY 240 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cel n ASP 241 N 3.13 0.31 0.00 1.61 8.00 -1.26 -2.00 116.55 126.34 1cel n ASP 241 Ca 0.00 0.57 0.10 0.00 0.71 0.00 0.00 54.79 56.17 1cel n ASP 241 Cb 0.00 -0.64 0.48 0.00 -0.02 0.00 0.00 41.12 40.94 1cel n ASP 241 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cel n GLY 242 N 0.22 -1.17 0.15 0.44 0.00 -0.85 -2.72 105.19 101.26 1cel n GLY 242 Ca 0.03 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 1cel n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cel n GLY 244 N 0.56 -1.04 6.11 0.00 0.00 -1.10 -4.17 105.19 105.55 1cel n GLY 244 Ca -0.03 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1cel n GLY 244 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cel n GLY 245 N 0.00 -2.02 0.30 -0.02 0.00 -0.60 -4.27 105.19 98.58 1cel n GLY 245 Ca 0.00 -1.50 -0.06 0.00 0.00 0.00 0.00 46.02 44.46 1cel n GLY 245 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1cel h THR 246 N 0.00 1.23 -0.93 2.61 2.02 -1.89 -3.27 112.91 112.68 1cel h THR 246 Ca 0.00 -0.65 -0.56 0.00 0.77 0.00 0.00 66.41 65.97 1cel h THR 246 Cb 0.00 0.35 -0.29 0.00 -1.74 0.00 0.00 68.15 66.47 1cel h THR 246 CO 0.00 0.27 0.62 -1.22 0.37 0.00 0.00 175.52 175.56 1cel n TYR 247 N -4.43 2.96 -4.22 3.16 4.01 -1.26 -4.92 117.16 112.46 1cel n TYR 247 Ca 0.06 -2.34 -0.19 0.00 -0.16 0.00 0.00 57.90 55.27 1cel n TYR 247 Cb 0.13 -1.09 -0.12 0.00 -0.31 0.00 0.00 39.34 37.95 1cel n TYR 247 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1cel s SER 248 N -1.73 1.92 0.36 7.72 0.01 -1.23 -4.92 113.70 115.83 1cel s SER 248 Ca 0.59 -0.71 0.03 0.00 1.31 0.00 0.00 55.95 57.17 1cel s SER 248 Cb 0.48 -0.07 0.66 0.00 0.21 0.00 0.00 66.02 67.31 1cel s SER 248 CO 0.05 -0.09 2.01 0.44 0.41 0.00 0.00 173.24 176.06 1cel h ASP 249 N 3.94 0.68 -3.74 2.44 5.19 -1.89 -3.35 116.42 119.69 1cel h ASP 249 Ca -0.41 -0.03 -0.66 0.00 -0.62 0.00 0.00 57.03 55.31 1cel h ASP 249 Cb 1.19 -0.17 -0.39 0.00 0.18 0.00 0.00 39.33 40.14 1cel h ASP 249 CO 0.44 0.51 -0.74 0.21 -3.12 0.00 0.00 179.24 176.54 1cel s ASN 250 N -6.53 4.69 0.41 6.45 2.47 -1.26 -4.98 114.94 116.20 1cel s ASN 250 Ca -0.10 -1.96 0.13 0.00 0.42 0.00 0.00 52.86 51.35 1cel s ASN 250 Cb 0.17 -1.61 0.98 0.00 -1.45 0.00 0.00 41.25 39.34 1cel s ASN 250 CO 0.76 -0.33 1.94 -0.09 -3.72 0.00 0.00 177.10 175.66 1cel h ARG 251 N 7.66 0.47 -0.49 0.43 2.43 -1.75 -2.14 114.38 120.99 1cel h ARG 251 Ca -0.08 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1cel h ARG 251 Cb 1.03 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1cel h ARG 251 CO 0.51 0.31 0.00 0.66 -1.51 0.00 0.00 179.97 179.94 1cel n TYR 252 N -4.48 1.37 0.53 2.20 4.01 -1.26 -1.56 117.16 117.97 1cel n TYR 252 Ca 0.12 -0.70 0.12 0.00 -0.16 0.00 0.00 57.90 57.28 1cel n TYR 252 Cb 0.42 -0.31 0.24 0.00 -0.31 0.00 0.00 39.34 39.38 1cel n TYR 252 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1cel h GLY 253 N 3.19 0.00 0.00 2.72 0.00 -1.70 -3.48 103.07 103.80 1cel h GLY 253 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1cel h GLY 253 CO 0.27 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.42 1cel n GLY 254 N 1.30 -0.78 0.03 4.60 0.00 -1.25 -4.83 105.19 104.26 1cel n GLY 254 Ca 0.04 -1.69 0.12 0.00 0.00 0.00 0.00 46.02 44.48 1cel n GLY 254 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cel n THR 255 N -1.33 0.15 -4.26 2.61 -2.24 -1.26 -4.93 114.28 103.02 1cel n THR 255 Ca 0.00 -0.13 -0.23 0.00 -2.27 0.00 0.00 64.05 61.43 1cel n THR 255 Cb 0.00 0.10 -0.07 0.00 -2.10 0.00 0.00 70.33 68.26 1cel n THR 255 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cel s ASP 257 N -3.71 6.18 0.15 0.00 2.15 -0.56 -4.91 116.67 115.98 1cel s ASP 257 Ca 0.32 -0.70 0.27 0.00 0.43 0.00 0.00 52.55 52.87 1cel s ASP 257 Cb -0.06 -2.21 0.90 0.00 -0.30 0.00 0.00 42.92 41.25 1cel s ASP 257 CO 0.20 -0.56 1.79 -0.81 -0.17 0.00 0.00 175.17 175.63 1cel n PRO 258 N 5.53 0.19 -0.09 4.34 -0.04 -1.26 -4.18 135.00 139.50 1cel n PRO 258 Ca -0.08 0.15 -0.17 0.00 -0.04 0.00 0.00 63.50 63.36 1cel n PRO 258 Cb 0.47 -1.71 -0.09 0.00 -0.04 0.00 0.00 33.50 32.13 1cel n PRO 258 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1cel h ASP 259 N 0.00 0.00 -4.07 3.54 5.19 -1.92 -3.47 116.42 115.69 1cel h ASP 259 Ca 0.00 -0.38 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 1cel h ASP 259 Cb 0.67 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.18 1cel h ASP 259 CO 0.00 1.29 0.00 0.61 -3.12 0.00 0.00 179.24 178.02 1cel n GLY 260 N 1.49 -1.67 3.32 2.75 0.00 -1.26 -4.67 105.19 105.15 1cel n GLY 260 Ca -0.25 -1.54 -0.47 0.00 0.00 0.00 0.00 46.02 43.76 1cel n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cel s ASP 262 N 2.62 6.66 -0.27 0.00 -4.77 -1.26 -3.86 116.67 115.78 1cel s ASP 262 Ca 0.13 0.99 0.00 0.00 -3.30 0.00 0.00 52.55 50.38 1cel s ASP 262 Cb -0.16 -2.26 0.08 0.00 -1.09 0.00 0.00 42.92 39.49 1cel s ASP 262 CO -0.05 -0.10 0.02 0.86 0.70 0.00 0.00 175.17 176.60 1cel s TRP 263 N -1.84 2.22 -0.21 2.11 -0.11 0.42 -4.96 118.94 116.57 1cel s TRP 263 Ca 0.49 -1.84 0.01 0.00 1.22 0.00 0.00 56.10 55.98 1cel s TRP 263 Cb -0.11 -1.77 0.04 0.00 -1.50 0.00 0.00 33.47 30.13 1cel s TRP 263 CO 0.20 -0.81 -0.13 1.21 -4.62 0.00 0.00 176.95 172.80 1cel s ASN 264 N 1.45 3.59 0.30 5.86 3.84 -1.26 -1.56 114.94 127.16 1cel s ASN 264 Ca 0.02 -0.95 0.05 0.00 0.21 0.00 0.00 52.86 52.19 1cel s ASN 264 Cb -0.18 -1.38 0.69 0.00 -0.55 0.00 0.00 41.25 39.83 1cel s ASN 264 CO -0.13 -0.12 1.81 -0.65 -2.79 0.00 0.00 177.10 175.22 1cel h PRO 265 N 7.91 0.81 -0.20 0.43 0.11 -1.90 -1.53 132.00 137.62 1cel h PRO 265 Ca -0.30 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.72 1cel h PRO 265 Cb 1.09 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 1cel h PRO 265 CO 0.51 0.53 -0.04 -0.92 -0.21 0.00 0.00 178.00 177.88 1cel h TYR 266 N 0.83 0.43 0.00 0.65 5.03 -1.85 -1.82 116.97 120.25 1cel h TYR 266 Ca 0.54 -0.09 -0.02 0.00 2.58 0.00 0.00 58.73 61.74 1cel h TYR 266 Cb 0.76 -0.11 -0.00 0.00 1.55 0.00 0.00 36.73 38.93 1cel h TYR 266 CO -0.00 0.62 -0.10 -0.09 -1.32 0.00 0.00 178.16 177.27 1cel h ARG 267 N 0.12 0.00 -0.01 1.82 2.43 -1.53 -1.95 114.38 115.25 1cel h ARG 267 Ca 0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1cel h ARG 267 Cb 0.48 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1cel h ARG 267 CO 0.02 0.10 0.00 1.28 -1.51 0.00 0.00 179.97 179.86 1cel n LEU 268 N -4.24 0.95 0.00 3.80 4.77 -0.64 -4.64 117.00 117.00 1cel n LEU 268 Ca -0.03 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1cel n LEU 268 Cb 0.18 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1cel n LEU 268 CO 0.34 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1cel n GLY 269 N 1.11 2.15 3.39 -0.72 0.00 -0.73 -4.68 105.19 105.70 1cel n GLY 269 Ca 0.21 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.78 1cel n GLY 269 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1cel s ASN 270 N -1.88 6.55 0.00 1.61 3.84 -0.70 -4.86 114.94 119.51 1cel s ASN 270 Ca 0.00 -2.08 0.24 0.00 0.21 0.00 0.00 52.86 51.23 1cel s ASN 270 Cb 0.00 -2.31 1.14 0.00 -0.55 0.00 0.00 41.25 39.53 1cel s ASN 270 CO 0.00 -0.92 1.77 0.35 -2.79 0.00 0.00 177.10 175.50 1cel n THR 271 N 5.02 0.06 0.40 -5.21 -2.24 -1.26 -3.68 114.28 107.38 1cel n THR 271 Ca 0.12 -0.15 0.05 0.00 -2.27 0.00 0.00 64.05 61.79 1cel n THR 271 Cb 0.47 0.03 0.04 0.00 -2.10 0.00 0.00 70.33 68.76 1cel n THR 271 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1cel n SER 272 N -0.30 1.76 -0.03 3.42 7.64 -1.26 -4.76 113.62 120.09 1cel n SER 272 Ca 0.18 -1.38 -0.15 0.00 1.01 0.00 0.00 58.87 58.52 1cel n SER 272 Cb 0.21 0.03 -0.12 0.00 -1.01 0.00 0.00 64.21 63.32 1cel n SER 272 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1cel h PHE 273 N 1.84 0.21 -3.19 1.43 3.57 -1.91 -1.81 116.94 117.08 1cel h PHE 273 Ca 0.00 -0.13 -0.56 0.00 3.53 0.00 0.00 57.97 60.82 1cel h PHE 273 Cb 0.40 -0.02 -0.36 0.00 2.79 0.00 0.00 35.95 38.76 1cel h PHE 273 CO 0.00 0.97 -0.82 -0.47 -2.23 0.00 0.00 178.31 175.76 1cel s TYR 274 N -2.90 1.78 0.00 0.41 5.04 -1.26 0.01 117.35 120.42 1cel s TYR 274 Ca -0.16 -0.91 0.00 0.00 -2.44 0.00 0.00 57.07 53.55 1cel s TYR 274 Cb -0.00 -1.37 0.00 0.00 0.35 0.00 0.00 41.96 40.94 1cel s TYR 274 CO 0.74 -0.55 0.00 0.41 -1.34 0.00 0.00 175.55 174.81 1cel n GLY 275 N 4.71 0.07 3.63 8.97 0.00 -0.88 -4.79 105.19 116.90 1cel n GLY 275 Ca -0.16 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 1cel n GLY 275 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1cel s PRO 276 N -2.00 3.89 0.00 1.61 0.02 -1.24 -1.24 135.00 136.05 1cel s PRO 276 Ca 0.00 1.32 0.00 0.00 0.02 0.00 0.00 61.00 62.34 1cel s PRO 276 Cb 0.00 -3.91 0.00 0.00 0.02 0.00 0.00 34.50 30.61 1cel s PRO 276 CO 0.00 -1.16 0.00 0.41 -0.33 0.00 0.00 177.00 175.92 1cel n GLY 277 N 4.39 2.30 0.29 0.52 0.00 -1.26 -4.78 105.19 106.64 1cel n GLY 277 Ca 0.16 -2.06 0.19 0.00 0.00 0.00 0.00 46.02 44.31 1cel n GLY 277 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1cel h SER 278 N 0.00 0.00 0.00 1.61 4.64 -1.96 -2.81 113.55 115.03 1cel h SER 278 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1cel h SER 278 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1cel h SER 278 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 1cel n SER 279 N -2.95 0.00 -4.48 4.97 3.41 -1.26 -4.75 113.62 108.57 1cel n SER 279 Ca -0.01 -1.63 -0.29 0.00 -0.26 0.00 0.00 58.87 56.68 1cel n SER 279 Cb 0.17 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.00 1cel n SER 279 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1cel s PHE 280 N -2.00 2.48 0.10 7.33 0.40 -1.06 -4.91 117.98 120.32 1cel s PHE 280 Ca 0.17 -0.29 -0.23 0.00 -0.60 0.00 0.00 56.93 55.97 1cel s PHE 280 Cb 0.08 -1.29 -0.13 0.00 0.51 0.00 0.00 43.02 42.18 1cel s PHE 280 CO 0.13 0.42 1.73 1.15 0.70 0.00 0.00 175.22 179.34 1cel h THR 281 N 3.42 0.92 -3.59 0.64 2.02 -0.91 -3.38 112.91 112.03 1cel h THR 281 Ca -0.49 0.00 -0.67 0.00 0.77 0.00 0.00 66.41 66.02 1cel h THR 281 Cb 1.18 0.92 -0.25 0.00 -1.74 0.00 0.00 68.15 68.26 1cel h THR 281 CO 0.46 0.00 -0.63 -0.76 0.37 0.00 0.00 175.52 174.96 1cel s LEU 282 N -10.22 3.63 -0.50 2.58 1.43 0.10 -5.03 118.68 110.67 1cel s LEU 282 Ca -0.13 -0.51 -0.22 0.00 -1.03 0.00 0.00 54.13 52.24 1cel s LEU 282 Cb 0.07 -1.88 0.04 0.00 0.03 0.00 0.00 46.19 44.44 1cel s LEU 282 CO 0.66 -0.13 0.75 -0.62 0.23 0.00 0.00 176.35 177.25 1cel s ASP 283 N 1.54 6.31 0.00 2.29 -1.08 -1.26 -2.06 116.67 122.41 1cel s ASP 283 Ca 0.04 -0.49 0.15 0.00 -0.52 0.00 0.00 52.55 51.73 1cel s ASP 283 Cb -0.16 -2.36 0.86 0.00 -1.46 0.00 0.00 42.92 39.80 1cel s ASP 283 CO 0.02 -0.97 1.30 0.35 0.52 0.00 0.00 175.17 176.38 1cel n THR 284 N 5.93 0.05 1.31 1.71 -2.24 -0.37 -1.98 114.28 118.69 1cel n THR 284 Ca -0.01 0.01 0.14 0.00 -2.27 0.00 0.00 64.05 61.91 1cel n THR 284 Cb 0.47 -0.79 0.50 0.00 -2.10 0.00 0.00 70.33 68.42 1cel n THR 284 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1cel n THR 285 N -1.02 0.00 -4.39 4.28 -2.24 -1.26 -2.74 114.28 106.89 1cel n THR 285 Ca 0.11 -0.08 -0.22 0.00 -2.27 0.00 0.00 64.05 61.59 1cel n THR 285 Cb 0.06 0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.28 1cel n THR 285 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1cel s LYS 286 N -2.54 1.46 0.58 -0.78 1.02 -0.84 -4.81 119.74 113.84 1cel s LYS 286 Ca 0.26 -1.62 -0.19 0.00 0.02 0.00 0.00 55.97 54.44 1cel s LYS 286 Cb 0.20 -1.44 -0.04 0.00 -0.52 0.00 0.00 37.83 36.02 1cel s LYS 286 CO 0.51 0.27 1.16 0.21 -0.92 0.00 0.00 175.35 176.58 1cel s LYS 287 N -3.39 3.11 0.03 1.68 2.20 -1.26 -4.77 119.74 117.33 1cel s LYS 287 Ca 0.24 1.69 -0.07 0.00 -0.36 0.00 0.00 55.97 57.47 1cel s LYS 287 Cb -0.04 -1.96 -0.00 0.00 -1.51 0.00 0.00 37.83 34.32 1cel s LYS 287 CO 0.10 -1.07 0.13 -0.48 -0.36 0.00 0.00 175.35 173.68 1cel s LEU 288 N -4.05 1.62 -0.15 5.43 2.34 -0.85 -4.74 118.68 118.29 1cel s LEU 288 Ca 0.74 -0.40 -0.08 0.00 0.06 0.00 0.00 54.13 54.46 1cel s LEU 288 Cb -0.27 0.71 -0.04 0.00 -0.56 0.00 0.00 46.19 46.03 1cel s LEU 288 CO 0.31 -0.48 0.12 -0.89 -1.06 0.00 0.00 176.35 174.35 1cel s THR 289 N -2.25 5.33 -0.15 5.48 2.01 -0.27 -0.72 115.64 125.07 1cel s THR 289 Ca -0.08 0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.08 1cel s THR 289 Cb -0.03 -3.36 0.02 0.00 0.01 0.00 0.00 72.50 69.14 1cel s THR 289 CO -0.03 0.55 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.60 1cel s VAL 290 N -0.44 1.68 -0.12 3.82 1.01 -0.11 -1.61 120.40 124.63 1cel s VAL 290 Ca 0.12 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1cel s VAL 290 Cb -0.12 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.71 1cel s VAL 290 CO 0.02 0.48 -0.20 -0.69 0.00 0.00 0.00 175.10 174.70 1cel s VAL 291 N 1.35 2.38 -0.11 2.92 1.01 -0.49 -2.18 120.40 125.28 1cel s VAL 291 Ca 0.03 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1cel s VAL 291 Cb -0.13 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.32 1cel s VAL 291 CO -0.09 0.55 -0.11 -0.89 0.00 0.00 0.00 175.10 174.55 1cel s THR 292 N 0.42 1.24 -0.15 3.92 2.01 -0.29 -2.21 115.64 120.58 1cel s THR 292 Ca -0.15 -0.45 -0.03 0.00 0.31 0.00 0.00 61.69 61.37 1cel s THR 292 Cb -0.17 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.13 1cel s THR 292 CO 0.06 0.40 -0.04 -1.10 -0.69 0.00 0.00 174.62 173.25 1cel s GLN 293 N 1.35 3.64 -0.58 4.92 -0.21 -0.05 -1.17 119.66 127.56 1cel s GLN 293 Ca -0.01 -0.53 -0.05 0.00 0.02 0.00 0.00 55.36 54.79 1cel s GLN 293 Cb -0.14 -2.89 0.15 0.00 1.00 0.00 0.00 33.01 31.14 1cel s GLN 293 CO -0.05 0.25 0.41 -0.06 -2.12 0.00 0.00 175.29 173.72 1cel s PHE 294 N 0.33 3.49 0.57 0.91 0.40 -0.32 -1.26 117.98 122.11 1cel s PHE 294 Ca -0.04 -2.42 -0.16 0.00 -0.60 0.00 0.00 56.93 53.71 1cel s PHE 294 Cb -0.14 -3.33 -0.05 0.00 0.51 0.00 0.00 43.02 40.01 1cel s PHE 294 CO 0.03 -0.91 1.03 -1.83 0.70 0.00 0.00 175.22 174.24 1cel s GLU 295 N 0.46 3.52 0.39 0.44 -1.05 -0.97 0.46 118.70 121.95 1cel s GLU 295 Ca 0.13 1.08 0.25 0.00 -0.15 0.00 0.00 54.97 56.29 1cel s GLU 295 Cb -0.21 -2.07 1.37 0.00 -0.44 0.00 0.00 34.13 32.79 1cel s GLU 295 CO -0.04 -0.63 1.76 1.79 0.95 0.00 0.00 175.26 179.09 1cel h THR 296 N 0.50 0.00 0.00 1.83 1.35 -1.93 -1.13 112.91 113.53 1cel h THR 296 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1cel h THR 296 Cb 1.21 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1cel h THR 296 CO 0.59 0.00 0.00 0.77 -0.25 0.00 0.00 175.52 176.63 1cel h SER 297 N 0.00 0.00 0.00 5.36 4.64 -2.03 -3.46 113.55 118.06 1cel h SER 297 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1cel h SER 297 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1cel h SER 297 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1cel n GLY 298 N 0.59 0.57 3.85 -0.77 0.00 -0.43 -4.98 105.19 104.02 1cel n GLY 298 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1cel n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cel s ALA 299 N -2.00 2.95 -0.08 4.61 0.00 -1.25 -4.90 121.76 121.09 1cel s ALA 299 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.01 1cel s ALA 299 Cb 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.00 1cel s ALA 299 CO 0.00 -0.81 -0.19 0.42 0.00 0.00 0.00 175.76 175.18 1cel s ILE 300 N -3.04 1.67 0.21 0.00 1.01 0.17 -2.30 121.20 118.92 1cel s ILE 300 Ca 0.57 -0.79 0.09 0.00 0.00 0.00 0.00 60.65 60.52 1cel s ILE 300 Cb -0.12 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 1cel s ILE 300 CO 0.51 0.47 -0.08 0.20 0.00 0.00 0.00 174.94 176.04 1cel s ASN 301 N 0.45 4.27 -0.13 3.58 0.01 -0.39 -1.09 114.94 121.65 1cel s ASN 301 Ca -0.16 -0.62 -0.09 0.00 -0.71 0.00 0.00 52.86 51.27 1cel s ASN 301 Cb -0.17 -0.72 0.04 0.00 0.41 0.00 0.00 41.25 40.81 1cel s ASN 301 CO 0.07 0.08 0.33 -0.60 -1.51 0.00 0.00 177.10 175.46 1cel s ARG 302 N -3.06 0.34 0.05 -0.60 6.06 -1.26 -0.87 118.95 119.61 1cel s ARG 302 Ca 0.27 0.55 -0.03 0.00 -2.50 0.00 0.00 55.73 54.03 1cel s ARG 302 Cb -0.08 0.06 -0.03 0.00 0.06 0.00 0.00 34.95 34.96 1cel s ARG 302 CO 0.16 -0.10 0.02 1.52 -2.50 0.00 0.00 175.30 174.40 1cel s TYR 303 N 0.74 0.38 0.16 5.12 -0.85 -0.94 -1.01 117.35 120.96 1cel s TYR 303 Ca -0.05 -0.82 0.07 0.00 -0.52 0.00 0.00 57.07 55.75 1cel s TYR 303 Cb -0.06 -0.28 -0.04 0.00 0.38 0.00 0.00 41.96 41.96 1cel s TYR 303 CO -0.05 -0.36 -0.16 0.71 -1.52 0.00 0.00 175.55 174.17 1cel s TYR 304 N -3.26 1.65 -0.04 -3.49 1.51 0.52 -1.40 117.35 112.83 1cel s TYR 304 Ca 0.01 -0.53 0.01 0.00 -1.01 0.00 0.00 57.07 55.54 1cel s TYR 304 Cb 0.03 -0.82 0.02 0.00 -0.11 0.00 0.00 41.96 41.09 1cel s TYR 304 CO -0.08 0.27 -0.03 0.08 -1.11 0.00 0.00 175.55 174.69 1cel s VAL 305 N -2.37 0.42 -0.06 0.71 1.01 -0.63 -1.01 120.40 118.47 1cel s VAL 305 Ca 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.05 1cel s VAL 305 Cb -0.04 -0.47 0.04 0.00 0.00 0.00 0.00 36.38 35.91 1cel s VAL 305 CO 0.05 0.20 0.12 -1.58 0.00 0.00 0.00 175.10 173.89 1cel s GLN 306 N 0.92 0.03 -1.48 2.72 0.74 -0.55 -1.12 119.66 120.92 1cel s GLN 306 Ca -0.11 0.40 -0.12 0.00 0.05 0.00 0.00 55.36 55.58 1cel s GLN 306 Cb -0.14 -0.26 0.06 0.00 1.10 0.00 0.00 33.01 33.77 1cel s GLN 306 CO -0.00 -0.23 1.01 0.09 -0.55 0.00 0.00 175.29 175.61 1cel n ASN 307 N 4.68 -5.32 0.00 6.67 5.03 -1.26 -1.49 115.26 123.57 1cel n ASN 307 Ca -0.17 -0.67 0.00 0.00 0.87 0.00 0.00 54.58 54.60 1cel n ASN 307 Cb 0.51 -4.23 0.00 0.00 -1.02 0.00 0.00 39.78 35.04 1cel n ASN 307 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1cel n GLY 308 N -1.76 1.18 3.75 7.41 0.00 -1.26 -5.00 105.19 109.51 1cel n GLY 308 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1cel n GLY 308 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cel s VAL 309 N -3.23 5.42 -0.08 1.61 1.01 -0.55 -5.08 120.40 119.48 1cel s VAL 309 Ca 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 1cel s VAL 309 Cb 0.00 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 1cel s VAL 309 CO 0.00 0.46 0.27 -0.89 0.00 0.00 0.00 175.10 174.94 1cel s THR 310 N 0.20 5.28 -0.11 3.92 2.01 -1.26 -1.48 115.64 124.20 1cel s THR 310 Ca 0.09 0.52 -0.01 0.00 0.31 0.00 0.00 61.69 62.59 1cel s THR 310 Cb -0.11 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 68.87 1cel s THR 310 CO -0.01 0.56 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.10 1cel s PHE 311 N -0.72 0.99 0.77 4.92 0.08 -0.18 -4.99 117.98 118.84 1cel s PHE 311 Ca 0.18 -0.50 -0.11 0.00 0.12 0.00 0.00 56.93 56.63 1cel s PHE 311 Cb -0.14 -0.97 0.06 0.00 -0.57 0.00 0.00 43.02 41.39 1cel s PHE 311 CO 0.07 -0.45 1.09 -1.14 -0.10 0.00 0.00 175.22 174.70 1cel s GLN 312 N 1.87 2.26 0.19 0.44 2.00 -1.26 -0.36 119.66 124.80 1cel s GLN 312 Ca 0.03 1.19 -0.32 0.00 -2.00 0.00 0.00 55.36 54.26 1cel s GLN 312 Cb -0.14 -1.90 -0.15 0.00 0.80 0.00 0.00 33.01 31.63 1cel s GLN 312 CO -0.07 -1.65 1.29 0.94 -0.50 0.00 0.00 175.29 175.31 1cel n GLN 313 N -3.47 1.57 -2.19 1.67 -0.06 -0.18 -4.82 117.38 109.90 1cel n GLN 313 Ca 0.09 0.56 -0.36 0.00 -2.00 0.00 0.00 57.00 55.29 1cel n GLN 313 Cb 0.53 -2.14 0.01 0.00 -4.06 0.00 0.00 30.24 24.57 1cel n GLN 313 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1cel s PRO 314 N -0.28 3.39 0.47 3.69 0.04 -1.26 -4.76 135.00 136.29 1cel s PRO 314 Ca 0.72 1.73 -0.24 0.00 0.04 0.00 0.00 61.00 63.25 1cel s PRO 314 Cb -0.77 -2.12 -0.07 0.00 0.04 0.00 0.00 34.50 31.59 1cel s PRO 314 CO 0.50 -0.85 1.34 -0.80 0.04 0.00 0.00 177.00 177.23 1cel s ASN 315 N -1.58 5.82 0.04 6.66 -0.87 -1.26 -4.62 114.94 119.13 1cel s ASN 315 Ca 0.71 2.73 0.04 0.00 -1.57 0.00 0.00 52.86 54.77 1cel s ASN 315 Cb -0.27 -2.64 -0.02 0.00 -0.02 0.00 0.00 41.25 38.30 1cel s ASN 315 CO 0.31 -1.19 -0.12 0.00 -2.57 0.00 0.00 177.10 173.53 1cel s ALA 316 N -1.29 0.96 -0.17 0.60 0.00 -0.42 -4.92 121.76 116.53 1cel s ALA 316 Ca 0.64 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1cel s ALA 316 Cb -0.39 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 22.65 1cel s ALA 316 CO 0.49 0.15 -0.12 -1.21 0.00 0.00 0.00 175.76 175.06 1cel s GLU 317 N -1.23 2.17 -0.30 0.00 2.02 -1.26 -1.73 118.70 118.37 1cel s GLU 317 Ca -0.02 -0.66 -0.03 0.00 0.02 0.00 0.00 54.97 54.29 1cel s GLU 317 Cb -0.08 -2.21 0.11 0.00 0.10 0.00 0.00 34.13 32.05 1cel s GLU 317 CO 0.01 -0.31 0.17 -1.17 0.02 0.00 0.00 175.26 173.98 1cel s LEU 318 N 1.46 0.42 0.00 1.80 2.96 -0.08 -5.00 118.68 120.24 1cel s LEU 318 Ca 0.03 -1.27 0.00 0.00 -0.22 0.00 0.00 54.13 52.66 1cel s LEU 318 Cb -0.14 -0.18 0.00 0.00 0.50 0.00 0.00 46.19 46.37 1cel s LEU 318 CO -0.10 -0.42 0.00 0.61 -1.32 0.00 0.00 176.35 175.13 1cel n GLY 319 N 5.14 3.11 0.18 7.98 0.00 -1.26 -1.60 105.19 118.75 1cel n GLY 319 Ca -0.03 -0.17 0.15 0.00 0.00 0.00 0.00 46.02 45.96 1cel n GLY 319 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cel n SER 320 N 7.43 0.59 -4.86 1.61 3.41 -1.26 -4.86 113.62 115.68 1cel n SER 320 Ca 0.00 -1.13 -0.37 0.00 -0.26 0.00 0.00 58.87 57.10 1cel n SER 320 Cb 0.00 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 1cel n SER 320 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1cel s TYR 321 N -2.05 3.65 -0.08 7.33 6.14 -0.63 -5.09 117.35 126.62 1cel s TYR 321 Ca 0.42 0.69 -0.04 0.00 0.64 0.00 0.00 57.07 58.79 1cel s TYR 321 Cb 0.21 -2.06 0.04 0.00 0.42 0.00 0.00 41.96 40.58 1cel s TYR 321 CO 0.37 0.71 0.19 0.45 0.64 0.00 0.00 175.55 177.90 1cel s SER 322 N -1.05 -0.09 0.00 4.32 0.15 -1.26 -0.90 113.70 114.88 1cel s SER 322 Ca 0.18 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.22 1cel s SER 322 Cb -0.14 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 1cel s SER 322 CO 0.07 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1cel n GLY 323 N 4.34 -0.90 0.16 9.45 0.00 -0.71 -4.98 105.19 112.56 1cel n GLY 323 Ca -0.24 -1.55 0.04 0.00 0.00 0.00 0.00 46.02 44.27 1cel n GLY 323 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cel n ASN 324 N 3.00 1.26 -4.51 1.61 0.23 -1.26 -1.30 115.26 114.29 1cel n ASN 324 Ca 0.00 -2.24 -0.34 0.00 -0.53 0.00 0.00 54.58 51.47 1cel n ASN 324 Cb 0.00 -0.21 -0.12 0.00 -2.08 0.00 0.00 39.78 37.37 1cel n ASN 324 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1cel s GLU 325 N -1.25 3.68 -0.78 -3.83 2.12 -1.26 -4.67 118.70 112.71 1cel s GLU 325 Ca 0.12 -0.50 -0.26 0.00 0.36 0.00 0.00 54.97 54.68 1cel s GLU 325 Cb 0.10 -2.93 0.03 0.00 0.26 0.00 0.00 34.13 31.59 1cel s GLU 325 CO 0.01 0.26 1.32 -1.17 -0.54 0.00 0.00 175.26 175.14 1cel s LEU 326 N 0.33 3.21 0.00 2.70 0.20 -0.25 -4.75 118.68 120.12 1cel s LEU 326 Ca -0.03 -0.57 0.04 0.00 0.69 0.00 0.00 54.13 54.26 1cel s LEU 326 Cb -0.14 -2.56 -0.01 0.00 -0.43 0.00 0.00 46.19 43.05 1cel s LEU 326 CO 0.03 -1.82 0.14 -0.46 -0.29 0.00 0.00 176.35 173.95 1cel n ASN 327 N 9.44 1.07 -0.31 3.68 0.23 -1.26 -0.66 115.26 127.44 1cel n ASN 327 Ca 0.08 -2.95 0.07 0.00 -0.53 0.00 0.00 54.58 51.24 1cel n ASN 327 Cb 0.49 0.97 0.22 0.00 -2.08 0.00 0.00 39.78 39.39 1cel n ASN 327 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1cel h ASP 328 N 1.49 0.67 -0.55 0.53 3.32 -1.93 -1.32 116.42 118.62 1cel h ASP 328 Ca -0.28 0.07 -0.09 0.00 0.02 0.00 0.00 57.03 56.75 1cel h ASP 328 Cb 1.09 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 1cel h ASP 328 CO 0.44 0.32 0.00 0.44 -1.72 0.00 0.00 179.24 178.72 1cel h ASP 329 N 0.75 0.98 -0.01 6.45 3.32 -1.96 -2.01 116.42 123.93 1cel h ASP 329 Ca 0.46 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1cel h ASP 329 Cb 0.58 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1cel h ASP 329 CO -0.32 1.03 0.00 0.22 -1.72 0.00 0.00 179.24 178.45 1cel h TYR 330 N 0.92 0.01 -0.09 4.55 3.20 -1.64 -1.73 116.97 122.20 1cel h TYR 330 Ca 0.17 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 1cel h TYR 330 Cb 0.53 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1cel h TYR 330 CO 0.03 0.17 -0.06 0.00 -1.64 0.00 0.00 178.16 176.67 1cel h THR 332 N 0.12 1.33 -0.49 0.00 2.02 -1.31 -2.83 112.91 111.76 1cel h THR 332 Ca 0.03 -2.15 -0.09 0.00 0.77 0.00 0.00 66.41 64.96 1cel h THR 332 Cb 0.19 2.42 -0.02 0.00 -1.74 0.00 0.00 68.15 69.00 1cel h THR 332 CO 0.01 0.65 -0.06 0.00 0.37 0.00 0.00 175.52 176.49 1cel h ALA 333 N 0.39 0.98 -0.30 6.16 0.00 -0.96 -2.04 119.26 123.48 1cel h ALA 333 Ca -0.10 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1cel h ALA 333 Cb 1.53 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1cel h ALA 333 CO 0.17 0.61 0.19 1.49 0.00 0.00 0.00 179.25 181.72 1cel h GLU 334 N 0.78 0.40 -0.62 0.00 4.81 -1.05 0.72 114.58 119.62 1cel h GLU 334 Ca 0.14 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 1cel h GLU 334 Cb 0.56 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 1cel h GLU 334 CO 0.03 0.28 0.15 0.93 -0.73 0.00 0.00 179.01 179.67 1cel h GLU 335 N 0.40 0.96 -0.49 1.92 5.08 -1.36 0.13 114.58 121.23 1cel h GLU 335 Ca 0.11 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 1cel h GLU 335 Cb -0.03 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1cel h GLU 335 CO -0.02 0.85 -0.04 0.00 -1.00 0.00 0.00 179.01 178.80 1cel h ALA 336 N 1.24 0.66 0.15 3.43 0.00 -0.99 -0.22 119.26 123.54 1cel h ALA 336 Ca 0.20 -0.31 -0.35 0.00 0.00 0.00 0.00 54.91 54.45 1cel h ALA 336 Cb 0.33 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1cel h ALA 336 CO -0.00 0.51 -1.84 0.93 0.00 0.00 0.00 179.25 178.85 1cel h GLU 337 N 0.74 0.32 0.00 0.00 3.07 -0.74 -3.39 114.58 114.58 1cel h GLU 337 Ca 0.13 -0.54 0.00 0.00 -0.50 0.00 0.00 59.36 58.45 1cel h GLU 337 Cb 0.57 0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 1cel h GLU 337 CO 0.03 1.23 -1.53 1.19 -1.40 0.00 0.00 179.01 178.53 1cel n PHE 338 N -3.51 0.06 0.00 4.33 3.72 0.45 -4.78 117.46 117.74 1cel n PHE 338 Ca -0.27 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.15 1cel n PHE 338 Cb 1.06 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 39.25 1cel n PHE 338 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cel n GLY 339 N 1.35 1.48 0.00 1.37 0.00 -0.09 -4.99 105.19 104.31 1cel n GLY 339 Ca -0.01 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1cel n GLY 339 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cel n GLY 340 N 1.71 1.40 0.00 -0.02 0.00 -1.25 -4.50 105.19 102.52 1cel n GLY 340 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1cel n GLY 340 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cel n SER 341 N -0.32 0.00 -0.00 1.61 3.41 -1.26 -4.75 113.62 112.31 1cel n SER 341 Ca 0.00 -1.00 -0.10 0.00 -0.26 0.00 0.00 58.87 57.51 1cel n SER 341 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1cel n SER 341 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1cel h SER 342 N 0.00 -0.29 -0.01 4.04 0.87 -1.98 0.22 113.55 116.40 1cel h SER 342 Ca 0.00 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1cel h SER 342 Cb 0.80 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.89 1cel h SER 342 CO 0.00 -0.13 -0.08 0.15 -0.53 0.00 0.00 176.83 176.25 1cel h PHE 343 N -0.11 -0.20 -0.49 2.24 3.57 -1.93 -1.68 116.94 118.35 1cel h PHE 343 Ca 0.08 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.49 1cel h PHE 343 Cb 0.22 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1cel h PHE 343 CO -0.21 -0.12 -0.08 0.66 -2.23 0.00 0.00 178.31 176.32 1cel h SER 344 N -0.13 0.86 0.24 0.41 4.64 -1.90 -1.37 113.55 116.30 1cel h SER 344 Ca 0.03 -0.26 -0.04 0.00 -0.47 0.00 0.00 61.79 61.06 1cel h SER 344 Cb 0.18 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1cel h SER 344 CO -0.08 0.97 -0.18 0.44 -0.87 0.00 0.00 176.83 177.11 1cel h ASP 345 N 0.79 0.00 -0.07 4.97 3.32 -0.31 -1.93 116.42 123.20 1cel h ASP 345 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1cel h ASP 345 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1cel h ASP 345 CO 0.04 0.18 0.00 0.29 -1.72 0.00 0.00 179.24 178.02 1cel n LYS 346 N -4.11 1.46 0.00 3.56 4.01 -0.65 -4.91 118.16 117.52 1cel n LYS 346 Ca -0.02 -0.69 0.00 0.00 -0.51 0.00 0.00 58.31 57.09 1cel n LYS 346 Cb 0.25 -1.41 0.00 0.00 -0.51 0.00 0.00 35.03 33.36 1cel n LYS 346 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1cel n GLY 347 N 1.06 0.62 7.00 0.72 0.00 -0.72 -4.47 105.19 109.39 1cel n GLY 347 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1cel n GLY 347 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cel n GLY 348 N -1.32 1.44 0.24 -0.02 0.00 -0.54 -2.25 105.19 102.73 1cel n GLY 348 Ca 0.00 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.59 1cel n GLY 348 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1cel h LEU 349 N 0.00 0.00 -0.15 0.99 3.38 -1.93 -2.06 115.31 115.55 1cel h LEU 349 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1cel h LEU 349 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1cel h LEU 349 CO 0.00 0.17 -0.08 0.74 0.09 0.00 0.00 178.44 179.36 1cel h THR 350 N 0.00 1.32 -0.25 0.22 2.02 -1.92 -1.22 112.91 113.08 1cel h THR 350 Ca -0.00 -1.14 -0.12 0.00 0.77 0.00 0.00 66.41 65.91 1cel h THR 350 Cb 0.65 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 1cel h THR 350 CO 0.02 0.33 -0.36 -0.61 0.37 0.00 0.00 175.52 175.27 1cel h GLN 351 N -0.03 0.57 0.00 6.66 5.75 -1.37 -2.67 115.11 124.03 1cel h GLN 351 Ca 0.03 -0.27 -0.05 0.00 -0.15 0.00 0.00 58.65 58.21 1cel h GLN 351 Cb 0.56 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.10 1cel h GLN 351 CO 0.02 0.85 -0.23 0.35 -2.65 0.00 0.00 178.83 177.17 1cel h PHE 352 N 0.48 0.00 0.00 3.99 3.57 -1.27 -2.37 116.94 121.34 1cel h PHE 352 Ca 0.05 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1cel h PHE 352 Cb 0.85 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.59 1cel h PHE 352 CO 0.03 0.23 -0.09 -0.22 -2.23 0.00 0.00 178.31 176.03 1cel h LYS 353 N 0.00 0.00 -0.02 1.11 3.64 -0.85 -1.15 116.57 119.30 1cel h LYS 353 Ca -0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1cel h LYS 353 Cb 0.44 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1cel h LYS 353 CO 0.03 0.09 -0.20 0.87 -2.27 0.00 0.00 179.45 177.97 1cel h LYS 354 N 0.00 0.03 0.00 1.90 1.57 -1.50 -0.39 116.57 118.19 1cel h LYS 354 Ca -0.00 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1cel h LYS 354 Cb 0.16 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1cel h LYS 354 CO 0.01 0.23 -0.11 0.00 -0.57 0.00 0.00 179.45 179.02 1cel h ALA 355 N 1.77 0.01 0.00 3.86 0.00 -1.32 -3.24 119.26 120.34 1cel h ALA 355 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1cel h ALA 355 Cb 0.37 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1cel h ALA 355 CO 0.03 -0.02 -0.06 1.79 0.00 0.00 0.00 179.25 180.99 1cel h THR 356 N -0.69 0.16 0.00 0.00 1.35 -1.25 -1.80 112.91 110.68 1cel h THR 356 Ca -0.01 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1cel h THR 356 Cb 0.89 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1cel h THR 356 CO 0.02 0.06 0.00 0.28 -0.25 0.00 0.00 175.52 175.63 1cel h SER 357 N 0.00 0.00 -4.55 5.36 0.02 -1.17 -1.77 113.55 111.44 1cel h SER 357 Ca -0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 1cel h SER 357 Cb 0.51 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 1cel h SER 357 CO 0.01 0.00 -0.04 0.61 -1.14 0.00 0.00 176.83 176.26 1cel n GLY 358 N 0.67 2.33 3.79 -3.77 0.00 -0.68 -4.92 105.19 102.61 1cel n GLY 358 Ca 0.03 -2.18 -0.38 0.00 0.00 0.00 0.00 46.02 43.49 1cel n GLY 358 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cel s GLY 359 N -2.60 2.77 0.03 -0.02 0.00 -1.26 -4.27 107.32 101.97 1cel s GLY 359 Ca 0.15 0.32 0.01 0.00 0.00 0.00 0.00 44.72 45.20 1cel s GLY 359 CO 0.09 0.76 -0.06 1.06 0.00 0.00 0.00 173.10 174.95 1cel s MET 360 N -1.69 0.43 -0.09 2.90 -1.94 -0.50 -4.67 119.30 113.74 1cel s MET 360 Ca 0.42 -0.59 -0.11 0.00 -1.71 0.00 0.00 55.69 53.70 1cel s MET 360 Cb -0.20 -0.20 -0.05 0.00 2.01 0.00 0.00 34.83 36.40 1cel s MET 360 CO 0.24 0.03 0.25 0.08 -0.01 0.00 0.00 175.02 175.61 1cel s VAL 361 N -1.12 5.31 -0.07 -6.03 1.01 0.18 -0.72 120.40 118.96 1cel s VAL 361 Ca -0.09 0.47 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 1cel s VAL 361 Cb -0.08 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1cel s VAL 361 CO -0.00 0.57 0.95 -0.22 0.00 0.00 0.00 175.10 176.40 1cel s LEU 362 N -0.81 4.29 -0.05 3.92 2.96 -1.26 -2.00 118.68 125.73 1cel s LEU 362 Ca 0.18 1.50 0.06 0.00 -0.22 0.00 0.00 54.13 55.66 1cel s LEU 362 Cb -0.14 -3.48 -0.01 0.00 0.50 0.00 0.00 46.19 43.06 1cel s LEU 362 CO 0.07 -0.35 -0.25 -0.69 -1.32 0.00 0.00 176.35 173.81 1cel s VAL 363 N 1.58 2.09 -0.08 1.68 1.01 0.25 -2.15 120.40 124.78 1cel s VAL 363 Ca 0.47 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1cel s VAL 363 Cb -0.19 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.46 1cel s VAL 363 CO 0.21 0.57 -0.13 -0.04 0.00 0.00 0.00 175.10 175.71 1cel s MET 364 N -0.27 1.87 0.18 2.72 -1.94 -0.41 -1.45 119.30 120.00 1cel s MET 364 Ca -0.00 -0.46 -0.06 0.00 -1.71 0.00 0.00 55.69 53.46 1cel s MET 364 Cb -0.13 -1.57 -0.02 0.00 2.01 0.00 0.00 34.83 35.12 1cel s MET 364 CO 0.03 -0.00 0.23 -1.54 -0.01 0.00 0.00 175.02 173.72 1cel s SER 365 N 0.78 0.11 -0.07 3.03 1.04 0.03 -0.98 113.70 117.64 1cel s SER 365 Ca -0.12 -1.07 -0.03 0.00 0.48 0.00 0.00 55.95 55.21 1cel s SER 365 Cb -0.16 0.41 0.04 0.00 0.10 0.00 0.00 66.02 66.42 1cel s SER 365 CO 0.02 -0.88 0.13 -0.22 0.98 0.00 0.00 173.24 173.27 1cel s LEU 366 N -3.04 0.08 0.08 2.42 2.96 -0.97 -0.78 118.68 119.44 1cel s LEU 366 Ca 0.24 0.25 -0.13 0.00 -0.22 0.00 0.00 54.13 54.28 1cel s LEU 366 Cb 0.04 0.15 0.02 0.00 0.50 0.00 0.00 46.19 46.90 1cel s LEU 366 CO 0.04 -0.24 0.29 -1.66 -1.32 0.00 0.00 176.35 173.47 1cel s TRP 367 N 2.13 -0.04 0.31 5.38 1.48 -0.76 -2.94 118.94 124.51 1cel s TRP 367 Ca 0.02 -0.25 0.09 0.00 -1.06 0.00 0.00 56.10 54.90 1cel s TRP 367 Cb -0.12 0.08 -0.04 0.00 -1.16 0.00 0.00 33.47 32.23 1cel s TRP 367 CO -0.05 -0.57 0.08 0.16 -4.06 0.00 0.00 176.95 172.51 1cel s ASP 368 N -2.56 4.59 -0.37 -2.66 1.47 -1.26 -1.45 116.67 114.43 1cel s ASP 368 Ca 0.01 -0.75 -0.03 0.00 1.18 0.00 0.00 52.55 52.96 1cel s ASP 368 Cb 0.02 -0.76 0.08 0.00 -0.34 0.00 0.00 42.92 41.92 1cel s ASP 368 CO -0.09 -0.18 0.13 -0.62 0.68 0.00 0.00 175.17 175.09 1cel s ASP 369 N -3.77 5.18 0.04 2.11 2.15 -1.26 -4.95 116.67 116.16 1cel s ASP 369 Ca 0.35 -1.63 0.21 0.00 0.43 0.00 0.00 52.55 51.91 1cel s ASP 369 Cb -0.04 -1.81 0.89 0.00 -0.30 0.00 0.00 42.92 41.67 1cel s ASP 369 CO 0.21 -0.42 1.68 -1.22 -0.17 0.00 0.00 175.17 175.25 1cel n TYR 370 N 4.65 0.13 -0.11 -5.34 4.02 -1.26 -2.06 117.16 117.20 1cel n TYR 370 Ca -0.08 0.04 -0.18 0.00 -0.01 0.00 0.00 57.90 57.68 1cel n TYR 370 Cb 0.43 -0.57 -0.07 0.00 -0.02 0.00 0.00 39.34 39.10 1cel n TYR 370 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 1cel n TYR 371 N -1.61 0.49 -1.15 -0.72 9.36 -1.26 -4.79 117.16 117.48 1cel n TYR 371 Ca 0.05 0.21 0.06 0.00 3.32 0.00 0.00 57.90 61.54 1cel n TYR 371 Cb 0.25 -0.88 0.09 0.00 -0.63 0.00 0.00 39.34 38.17 1cel n TYR 371 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1cel n ALA 372 N -3.92 2.11 -1.82 2.98 0.00 -1.26 -5.02 120.51 113.59 1cel n ALA 372 Ca -0.30 -1.97 -0.13 0.00 0.00 0.00 0.00 53.44 51.04 1cel n ALA 372 Cb 0.62 -0.35 -0.03 0.00 0.00 0.00 0.00 19.45 19.70 1cel n ALA 372 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1cel n ASN 373 N -0.94 -3.63 -0.81 0.00 5.03 -0.87 -1.42 115.26 112.62 1cel n ASN 373 Ca 0.10 0.26 -0.11 0.00 0.87 0.00 0.00 54.58 55.70 1cel n ASN 373 Cb 0.60 -3.26 -0.05 0.00 -1.02 0.00 0.00 39.78 36.05 1cel n ASN 373 CO 0.00 0.00 0.00 0.80 -1.83 0.00 0.00 177.26 176.23 1cel n MET 374 N -2.25 -1.21 -0.01 3.52 1.56 -1.26 -4.20 117.12 113.26 1cel n MET 374 Ca -0.14 0.83 0.00 0.00 -0.27 0.00 0.00 57.70 58.12 1cel n MET 374 Cb 0.50 -4.97 0.31 0.00 2.15 0.00 0.00 33.22 31.21 1cel n MET 374 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1cel h LEU 375 N 0.00 0.50 -2.54 -0.89 3.38 -1.57 -1.67 115.31 112.52 1cel h LEU 375 Ca -0.22 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1cel h LEU 375 Cb 0.93 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1cel h LEU 375 CO 0.32 0.54 -0.01 4.11 0.09 0.00 0.00 178.44 183.48 1cel h TRP 376 N 0.53 0.00 0.02 1.13 5.08 -1.88 -1.43 115.95 119.40 1cel h TRP 376 Ca 0.12 0.00 -0.35 0.00 1.08 0.00 0.00 58.89 59.74 1cel h TRP 376 Cb 0.27 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.38 1cel h TRP 376 CO 0.01 0.01 -1.95 -0.11 -1.28 0.00 0.00 178.44 175.12 1cel n LEU 377 N -3.59 2.20 -0.11 0.11 7.94 -0.67 -4.79 117.00 118.08 1cel n LEU 377 Ca -0.03 0.28 0.05 0.00 -1.11 0.00 0.00 56.01 55.20 1cel n LEU 377 Cb 0.10 -0.95 0.07 0.00 0.53 0.00 0.00 43.42 43.17 1cel n LEU 377 CO 0.26 0.57 0.48 -0.90 -1.11 0.00 0.00 177.39 176.68 1cel n ASP 378 N -4.03 1.70 -0.04 1.96 5.68 -0.96 -4.33 116.55 116.52 1cel n ASP 378 Ca -0.41 -2.46 0.00 0.00 -0.50 0.00 0.00 54.79 51.42 1cel n ASP 378 Cb 0.86 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 1cel n ASP 378 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1cel n SER 379 N -0.85 0.00 -4.69 -1.12 2.88 -0.54 -1.28 113.62 108.01 1cel n SER 379 Ca 0.08 -0.04 -0.38 0.00 -1.33 0.00 0.00 58.87 57.21 1cel n SER 379 Cb 0.54 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.92 1cel n SER 379 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1cel s THR 380 N -1.39 5.24 -0.09 2.46 2.01 -1.26 -0.53 115.64 122.08 1cel s THR 380 Ca 0.00 0.67 -0.04 0.00 0.31 0.00 0.00 61.69 62.63 1cel s THR 380 Cb 0.00 -3.70 0.04 0.00 0.01 0.00 0.00 72.50 68.85 1cel s THR 380 CO 0.00 0.30 0.19 -0.47 -0.69 0.00 0.00 174.62 173.95 1cel s TYR 381 N 0.98 -0.24 0.86 4.92 5.04 -0.44 -3.66 117.35 124.81 1cel s TYR 381 Ca 0.19 0.63 -0.10 0.00 -2.44 0.00 0.00 57.07 55.35 1cel s TYR 381 Cb -0.14 -0.07 0.11 0.00 0.35 0.00 0.00 41.96 42.21 1cel s TYR 381 CO 0.07 -0.22 1.12 -2.14 -1.34 0.00 0.00 175.55 173.03 1cel s PRO 382 N 1.49 1.48 0.37 4.97 0.02 -1.26 -4.62 135.00 137.45 1cel s PRO 382 Ca -0.06 1.32 0.28 0.00 0.02 0.00 0.00 61.00 62.55 1cel s PRO 382 Cb -0.11 -1.80 1.18 0.00 0.02 0.00 0.00 34.50 33.79 1cel s PRO 382 CO -0.07 -2.23 1.82 1.79 -0.33 0.00 0.00 177.00 177.98 1cel h THR 383 N -1.57 0.00 0.00 0.99 1.35 -1.97 -2.33 112.91 109.38 1cel h THR 383 Ca -0.44 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 1cel h THR 383 Cb 1.26 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1cel h THR 383 CO 0.47 0.00 -0.16 -0.46 -0.25 0.00 0.00 175.52 175.12 1cel n ASN 384 N -2.55 0.32 -4.85 5.36 6.94 -1.26 -4.89 115.26 114.33 1cel n ASN 384 Ca 0.01 0.33 -0.31 0.00 -0.02 0.00 0.00 54.58 54.60 1cel n ASN 384 Cb 0.23 -0.35 0.04 0.00 -2.36 0.00 0.00 39.78 37.34 1cel n ASN 384 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1cel s GLU 385 N -3.03 3.08 0.42 -3.83 0.41 -0.88 -5.09 118.70 109.77 1cel s GLU 385 Ca 0.12 0.74 0.07 0.00 -0.41 0.00 0.00 54.97 55.50 1cel s GLU 385 Cb 0.17 -2.02 -0.04 0.00 -1.78 0.00 0.00 34.13 30.46 1cel s GLU 385 CO 0.59 -0.94 0.26 0.95 -0.49 0.00 0.00 175.26 175.63 1cel s THR 386 N -3.17 2.41 0.05 3.63 -4.23 -1.26 -4.95 115.64 108.11 1cel s THR 386 Ca 0.57 -1.57 0.33 0.00 -1.18 0.00 0.00 61.69 59.84 1cel s THR 386 Cb -0.12 -2.97 0.36 0.00 1.34 0.00 0.00 72.50 71.11 1cel s THR 386 CO 0.54 0.00 1.97 0.77 -0.54 0.00 0.00 174.62 177.36 1cel h SER 387 N 1.26 0.00 1.15 3.99 4.64 -1.98 -2.36 113.55 120.26 1cel h SER 387 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1cel h SER 387 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1cel h SER 387 CO 0.65 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.38 1cel h SER 388 N 0.00 0.00 -3.34 4.97 4.64 -2.02 -3.43 113.55 114.36 1cel h SER 388 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 1cel h SER 388 Cb 0.38 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.39 1cel h SER 388 CO 0.00 0.00 0.30 -0.89 -0.87 0.00 0.00 176.83 175.37 1cel s THR 389 N -3.23 4.93 -0.09 2.95 2.01 -0.89 -4.98 115.64 116.33 1cel s THR 389 Ca 0.07 1.46 -0.34 0.00 0.31 0.00 0.00 61.69 63.20 1cel s THR 389 Cb 0.10 -4.07 -0.11 0.00 0.01 0.00 0.00 72.50 68.44 1cel s THR 389 CO 0.51 0.05 1.90 -2.65 -0.69 0.00 0.00 174.62 173.74 1cel n PRO 390 N 5.23 2.19 -0.99 4.92 -0.02 -1.26 -1.77 135.00 143.29 1cel n PRO 390 Ca 0.02 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1cel n PRO 390 Cb 0.49 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 1cel n PRO 390 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cel n GLY 391 N 4.50 0.57 0.24 -1.23 0.00 -1.26 -4.68 105.19 103.34 1cel n GLY 391 Ca 0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 1cel n GLY 391 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cel h ALA 392 N 0.00 0.54 -2.41 4.61 0.00 -1.60 -3.43 119.26 116.97 1cel h ALA 392 Ca 0.00 -0.51 -0.62 0.00 0.00 0.00 0.00 54.91 53.78 1cel h ALA 392 Cb 0.04 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 17.62 1cel h ALA 392 CO 0.00 0.68 0.15 0.08 0.00 0.00 0.00 179.25 180.17 1cel s VAL 393 N -4.12 4.94 -0.39 0.00 1.01 -1.26 -1.33 120.40 119.24 1cel s VAL 393 Ca -0.10 0.88 0.09 0.00 0.00 0.00 0.00 61.98 62.85 1cel s VAL 393 Cb 0.11 -4.00 -0.11 0.00 0.00 0.00 0.00 36.38 32.38 1cel s VAL 393 CO 0.88 -0.13 0.37 0.54 0.00 0.00 0.00 175.10 176.76 1cel n ARG 394 N 5.87 3.49 -3.97 2.72 3.00 0.31 -4.01 116.66 124.07 1cel n ARG 394 Ca -0.01 -0.01 0.01 0.00 -0.01 0.00 0.00 57.85 57.83 1cel n ARG 394 Cb 0.49 -0.97 0.02 0.00 0.00 0.00 0.00 32.46 31.99 1cel n ARG 394 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1cel s GLY 395 N -2.03 -0.04 0.00 -0.13 0.00 -1.21 -4.24 107.32 99.68 1cel s GLY 395 Ca 0.03 -0.11 0.24 0.00 0.00 0.00 0.00 44.72 44.88 1cel s GLY 395 CO 0.38 4.79 1.55 -1.14 0.00 0.00 0.00 173.10 178.69 1cel n SER 396 N -1.14 2.06 -4.77 1.64 3.41 -1.14 -4.15 113.62 109.53 1cel n SER 396 Ca 0.02 -1.72 -0.36 0.00 -0.26 0.00 0.00 58.87 56.55 1cel n SER 396 Cb 0.59 -0.06 0.01 0.00 -0.26 0.00 0.00 64.21 64.48 1cel n SER 396 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cel s SER 398 N -1.57 5.48 0.00 0.00 0.15 -1.26 -4.45 113.70 112.05 1cel s SER 398 Ca 0.71 2.35 0.15 0.00 0.70 0.00 0.00 55.95 59.86 1cel s SER 398 Cb -0.27 -2.60 0.78 0.00 -1.71 0.00 0.00 66.02 62.22 1cel s SER 398 CO 0.31 -1.39 1.39 0.35 1.20 0.00 0.00 173.24 175.10 1cel n THR 399 N -1.31 0.47 0.93 6.45 -2.24 -1.26 -1.71 114.28 115.61 1cel n THR 399 Ca 0.12 0.12 0.12 0.00 -2.27 0.00 0.00 64.05 62.14 1cel n THR 399 Cb 0.49 -0.87 0.20 0.00 -2.10 0.00 0.00 70.33 68.05 1cel n THR 399 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1cel n SER 400 N -1.23 2.82 -4.92 3.42 3.41 -1.26 -4.99 113.62 110.88 1cel n SER 400 Ca 0.08 -1.91 -0.26 0.00 -0.26 0.00 0.00 58.87 56.51 1cel n SER 400 Cb 0.10 -0.06 0.04 0.00 -0.26 0.00 0.00 64.21 64.03 1cel n SER 400 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1cel s SER 401 N -1.86 5.37 0.00 4.04 1.04 -0.70 -4.51 113.70 117.09 1cel s SER 401 Ca 0.32 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.40 1cel s SER 401 Cb 0.21 -1.54 0.00 0.00 0.10 0.00 0.00 66.02 64.79 1cel s SER 401 CO 0.31 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1cel n GLY 402 N -2.68 0.70 3.66 7.32 0.00 -1.26 -4.86 105.19 108.06 1cel n GLY 402 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1cel n GLY 402 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cel s VAL 403 N -2.55 3.21 0.19 1.61 1.01 -1.26 -4.57 120.40 118.03 1cel s VAL 403 Ca 0.00 0.25 -0.17 0.00 0.00 0.00 0.00 61.98 62.06 1cel s VAL 403 Cb 0.00 -3.17 0.15 0.00 0.00 0.00 0.00 36.38 33.37 1cel s VAL 403 CO 0.00 -0.03 1.63 -0.65 0.00 0.00 0.00 175.10 176.05 1cel h PRO 404 N 10.39 -0.07 -0.71 2.72 0.11 -1.95 -0.77 132.00 141.73 1cel h PRO 404 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1cel h PRO 404 Cb 1.22 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1cel h PRO 404 CO 0.95 -0.05 0.39 0.00 -0.21 0.00 0.00 178.00 179.08 1cel h ALA 405 N 1.33 1.36 -0.10 -0.75 0.00 -1.96 -0.74 119.26 118.40 1cel h ALA 405 Ca 0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1cel h ALA 405 Cb 0.44 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1cel h ALA 405 CO -0.56 0.53 -0.05 0.37 0.00 0.00 0.00 179.25 179.53 1cel h GLN 406 N 0.98 0.21 -0.07 0.00 4.15 -1.76 -2.67 115.11 115.96 1cel h GLN 406 Ca 0.25 -0.10 -0.12 0.00 0.77 0.00 0.00 58.65 59.46 1cel h GLN 406 Cb 0.01 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1cel h GLN 406 CO -0.04 0.58 -0.50 -0.39 -1.93 0.00 0.00 178.83 176.55 1cel h VAL 407 N -0.15 1.35 -0.74 2.39 -1.51 -1.01 -0.13 116.25 116.44 1cel h VAL 407 Ca 0.02 -1.72 -0.06 0.00 -1.23 0.00 0.00 66.70 63.71 1cel h VAL 407 Cb 0.51 1.85 -0.03 0.00 -2.13 0.00 0.00 31.29 31.49 1cel h VAL 407 CO 0.02 0.51 0.23 -0.33 -1.23 0.00 0.00 177.57 176.76 1cel h GLU 408 N 0.14 1.16 0.06 5.19 5.08 -1.16 0.17 114.58 125.22 1cel h GLU 408 Ca 0.00 -0.25 -0.26 0.00 -1.00 0.00 0.00 59.36 57.85 1cel h GLU 408 Cb 0.93 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1cel h GLU 408 CO 0.07 0.98 -1.29 0.66 -1.00 0.00 0.00 179.01 178.44 1cel h SER 409 N 1.11 0.20 0.45 1.42 4.64 -1.37 -3.21 113.55 116.78 1cel h SER 409 Ca 0.24 -0.25 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 1cel h SER 409 Cb 0.31 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1cel h SER 409 CO -0.01 1.20 -1.46 1.56 -0.87 0.00 0.00 176.83 177.26 1cel h GLN 410 N 0.03 0.33 -1.89 4.77 4.20 -0.91 -3.40 115.11 118.25 1cel h GLN 410 Ca -0.14 -0.56 -0.54 0.00 0.06 0.00 0.00 58.65 57.48 1cel h GLN 410 Cb 1.91 0.21 -0.41 0.00 0.30 0.00 0.00 27.48 29.49 1cel h GLN 410 CO 0.15 1.23 -0.85 0.43 -0.67 0.00 0.00 178.83 179.12 1cel n SER 411 N -3.54 3.38 0.22 1.46 7.64 0.60 -4.90 113.62 118.49 1cel n SER 411 Ca -0.15 -3.43 0.05 0.00 1.01 0.00 0.00 58.87 56.35 1cel n SER 411 Cb 1.05 -0.55 0.49 0.00 -1.01 0.00 0.00 64.21 64.20 1cel n SER 411 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1cel h PRO 412 N 2.89 0.00 -0.09 1.43 0.13 -1.70 -2.42 132.00 132.24 1cel h PRO 412 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1cel h PRO 412 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1cel h PRO 412 CO 0.72 0.21 0.00 0.09 -0.23 0.00 0.00 178.00 178.79 1cel n ASN 413 N -4.23 0.60 -4.74 1.44 4.13 -1.26 -1.75 115.26 109.44 1cel n ASN 413 Ca -0.02 -1.83 -0.37 0.00 1.68 0.00 0.00 54.58 54.04 1cel n ASN 413 Cb 0.27 -0.06 0.05 0.00 -1.54 0.00 0.00 39.78 38.50 1cel n ASN 413 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1cel s ALA 414 N -1.87 2.49 0.14 5.41 0.00 -0.91 -4.78 121.76 122.24 1cel s ALA 414 Ca 0.15 1.16 -0.24 0.00 0.00 0.00 0.00 51.96 53.04 1cel s ALA 414 Cb 0.08 -3.52 0.07 0.00 0.00 0.00 0.00 23.12 19.75 1cel s ALA 414 CO 0.11 -1.42 0.68 -1.59 0.00 0.00 0.00 175.76 173.55 1cel s LYS 415 N -3.29 1.25 0.01 0.00 -2.85 -1.22 -0.05 119.74 113.59 1cel s LYS 415 Ca 0.79 -0.51 0.06 0.00 -1.00 0.00 0.00 55.97 55.31 1cel s LYS 415 Cb -0.36 0.54 -0.02 0.00 -2.06 0.00 0.00 37.83 35.94 1cel s LYS 415 CO 0.38 -0.55 -0.17 0.54 0.10 0.00 0.00 175.35 175.65 1cel s VAL 416 N -3.63 1.38 -0.18 1.79 0.11 -0.90 -4.33 120.40 114.64 1cel s VAL 416 Ca 0.03 -0.89 0.01 0.00 -2.93 0.00 0.00 61.98 58.21 1cel s VAL 416 Cb -0.02 -1.18 0.04 0.00 -1.53 0.00 0.00 36.38 33.69 1cel s VAL 416 CO -0.09 0.27 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.95 1cel s THR 417 N -0.57 1.61 -0.15 5.04 2.01 -1.18 -1.43 115.64 120.96 1cel s THR 417 Ca 0.06 -0.89 -0.06 0.00 0.31 0.00 0.00 61.69 61.11 1cel s THR 417 Cb -0.07 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 1cel s THR 417 CO 0.00 0.25 0.06 -0.36 -0.69 0.00 0.00 174.62 173.89 1cel s PHE 418 N 1.43 3.29 0.24 4.92 0.08 -0.21 -1.71 117.98 126.02 1cel s PHE 418 Ca 0.01 0.16 -0.08 0.00 0.12 0.00 0.00 56.93 57.13 1cel s PHE 418 Cb -0.15 -2.00 -0.01 0.00 -0.57 0.00 0.00 43.02 40.28 1cel s PHE 418 CO -0.09 0.30 0.37 -1.54 -0.10 0.00 0.00 175.22 174.17 1cel s SER 419 N -0.08 0.09 -1.31 1.36 1.04 -0.40 -0.32 113.70 114.08 1cel s SER 419 Ca 0.07 -1.12 -0.10 0.00 0.48 0.00 0.00 55.95 55.27 1cel s SER 419 Cb -0.12 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1cel s SER 419 CO 0.01 -1.07 0.53 -3.20 0.98 0.00 0.00 173.24 170.49 1cel n ASN 420 N -0.46 -2.16 -4.70 7.02 5.15 -0.86 -0.86 115.26 118.40 1cel n ASN 420 Ca -0.00 -1.06 -0.42 0.00 -0.60 0.00 0.00 54.58 52.49 1cel n ASN 420 Cb 0.63 -2.89 -0.03 0.00 -0.53 0.00 0.00 39.78 36.96 1cel n ASN 420 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1cel s ILE 421 N -3.79 3.97 -0.01 -1.44 1.01 -1.26 -4.16 121.20 115.52 1cel s ILE 421 Ca 0.20 1.36 0.03 0.00 0.00 0.00 0.00 60.65 62.24 1cel s ILE 421 Cb -0.08 -3.87 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 1cel s ILE 421 CO 0.90 0.03 -0.09 -0.54 0.00 0.00 0.00 174.94 175.24 1cel s LYS 422 N 1.90 0.74 -0.04 2.79 1.02 0.13 -0.94 119.74 125.34 1cel s LYS 422 Ca 0.60 -0.31 -0.03 0.00 0.02 0.00 0.00 55.97 56.24 1cel s LYS 422 Cb -0.29 -0.71 0.02 0.00 -0.52 0.00 0.00 37.83 36.33 1cel s LYS 422 CO 0.26 0.18 0.10 0.12 -0.92 0.00 0.00 175.35 175.08 1cel s PHE 423 N -0.17 -0.10 -0.37 3.18 5.36 -0.20 -0.80 117.98 124.87 1cel s PHE 423 Ca 0.03 0.28 0.00 0.00 -0.96 0.00 0.00 56.93 56.28 1cel s PHE 423 Cb -0.04 -0.02 0.00 0.00 -0.34 0.00 0.00 43.02 42.62 1cel s PHE 423 CO -0.00 -0.08 0.00 0.41 -1.46 0.00 0.00 175.22 174.09 1cel n GLY 424 N 3.40 -1.24 3.66 13.12 0.00 -1.01 -0.42 105.19 122.70 1cel n GLY 424 Ca -0.17 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 1cel n GLY 424 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1cel n PRO 425 N -0.03 0.39 -1.66 1.61 -0.02 -1.26 -0.65 135.00 133.38 1cel n PRO 425 Ca 0.00 0.20 -0.47 0.00 -2.02 0.00 0.00 63.50 61.21 1cel n PRO 425 Cb 0.00 -2.34 -0.04 0.00 -0.02 0.00 0.00 33.50 31.10 1cel n PRO 425 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1cel n ILE 426 N -2.87 0.21 -0.54 4.25 5.41 -1.11 -1.75 119.36 122.97 1cel n ILE 426 Ca 0.13 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.83 1cel n ILE 426 Cb 0.50 -1.41 0.00 0.00 -0.71 0.00 0.00 39.64 38.02 1cel n ILE 426 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1cel n GLY 427 N 3.01 0.76 0.06 7.39 0.00 -1.26 -4.95 105.19 110.19 1cel n GLY 427 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 1cel n GLY 427 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cel n SER 428 N 0.00 0.21 0.16 1.61 3.41 -0.72 -4.57 113.62 113.71 1cel n SER 428 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 1cel n SER 428 Cb 0.00 1.38 0.53 0.00 -0.26 0.00 0.00 64.21 65.85 1cel n SER 428 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1cel h THR 429 N 0.00 0.00 -0.00 6.66 1.35 -1.90 -2.63 112.91 116.39 1cel h THR 429 Ca -0.31 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1cel h THR 429 Cb 1.70 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1cel h THR 429 CO 0.02 0.00 -0.03 0.61 -0.25 0.00 0.00 175.52 175.87 1cel n GLY 430 N -0.02 -1.20 3.85 5.82 0.00 -1.26 -4.88 105.19 107.49 1cel n GLY 430 Ca 0.02 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1cel n GLY 430 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cel s ASN 431 N -2.54 5.49 0.10 1.61 0.01 -0.99 -4.98 114.94 113.65 1cel s ASN 431 Ca 0.29 1.33 -0.34 0.00 -0.71 0.00 0.00 52.86 53.43 1cel s ASN 431 Cb 0.20 -2.20 -0.14 0.00 0.41 0.00 0.00 41.25 39.52 1cel s ASN 431 CO 0.46 -1.34 1.62 -2.65 -1.51 0.00 0.00 177.10 173.69 1cel n PRO 432 N -3.03 2.06 -2.02 -0.60 -0.02 -1.26 -4.88 135.00 125.24 1cel n PRO 432 Ca 0.07 0.74 -0.34 0.00 -2.02 0.00 0.00 63.50 61.95 1cel n PRO 432 Cb 0.55 -2.52 0.02 0.00 -0.02 0.00 0.00 33.50 31.54 1cel n PRO 432 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1cel s SER 433 N 1.52 5.39 0.00 2.55 0.01 -1.26 -3.36 113.70 118.56 1cel s SER 433 Ca 0.82 2.13 0.18 0.00 1.31 0.00 0.00 55.95 60.39 1cel s SER 433 Cb -0.71 -2.57 0.14 0.00 0.21 0.00 0.00 66.02 63.09 1cel s SER 433 CO 0.42 -1.44 1.06 0.61 0.41 0.00 0.00 173.24 174.30