#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3x n SER 2 N 0.00 1.27 -0.27 3.17 7.64 -1.26 -4.60 113.62 119.57 1a3x n SER 2 Ca 0.00 -2.50 -0.05 0.00 1.01 0.00 0.00 58.87 57.33 1a3x n SER 2 Cb 0.00 -1.37 0.06 0.00 -1.01 0.00 0.00 64.21 61.89 1a3x n SER 2 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1a3x h ARG 3 N 11.13 1.01 -0.68 1.43 2.43 -2.04 0.72 114.38 128.39 1a3x h ARG 3 Ca 0.08 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 1a3x h ARG 3 Cb 0.91 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 1a3x h ARG 3 CO 1.32 0.73 0.15 -0.07 -1.51 0.00 0.00 179.97 180.59 1a3x h LEU 4 N 1.01 1.02 0.00 3.80 -0.00 -1.98 0.48 115.31 119.64 1a3x h LEU 4 Ca 0.26 -0.22 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1a3x h LEU 4 Cb -0.01 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 40.38 1a3x h LEU 4 CO -0.05 0.99 -0.02 -0.33 -0.00 0.00 0.00 178.44 179.03 1a3x h GLU 5 N 1.02 0.00 0.15 1.13 4.39 -1.72 0.48 114.58 120.03 1a3x h GLU 5 Ca 0.21 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.69 1a3x h GLU 5 Cb 0.37 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.05 1a3x h GLU 5 CO 0.00 0.00 -0.97 -0.09 -1.16 0.00 0.00 179.01 176.79 1a3x h ARG 6 N 0.00 0.40 0.13 2.33 2.43 0.12 -3.04 114.38 116.74 1a3x h ARG 6 Ca 0.00 -0.62 -0.01 0.00 -0.81 0.00 0.00 59.98 58.54 1a3x h ARG 6 Cb 0.81 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1a3x h ARG 6 CO 0.00 1.28 -0.06 -0.07 -1.51 0.00 0.00 179.97 179.61 1a3x h LEU 7 N -0.17 -0.14 -0.67 3.80 4.07 0.12 -2.44 115.31 119.87 1a3x h LEU 7 Ca -0.16 -0.34 0.00 0.00 0.08 0.00 0.00 57.88 57.46 1a3x h LEU 7 Cb 1.74 0.04 0.00 0.00 1.08 0.00 0.00 40.66 43.52 1a3x h LEU 7 CO 0.18 0.29 0.01 0.41 -1.08 0.00 0.00 178.44 178.25 1a3x n THR 8 N -4.97 1.53 0.48 0.22 -1.04 0.17 -1.69 114.28 108.98 1a3x n THR 8 Ca -0.09 0.61 0.06 0.00 -2.04 0.00 0.00 64.05 62.59 1a3x n THR 8 Cb 0.24 -1.61 0.03 0.00 -1.82 0.00 0.00 70.33 67.17 1a3x n THR 8 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1a3x n SER 9 N -1.85 1.72 -0.11 8.00 7.64 -1.11 -4.79 113.62 123.12 1a3x n SER 9 Ca -0.01 -1.36 0.11 0.00 1.01 0.00 0.00 58.87 58.63 1a3x n SER 9 Cb 0.02 0.16 0.18 0.00 -1.01 0.00 0.00 64.21 63.56 1a3x n SER 9 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1a3x n LEU 10 N 0.34 0.00 -2.17 -3.43 4.32 -0.68 -4.75 117.00 110.64 1a3x n LEU 10 Ca 0.06 0.27 -0.16 0.00 -0.02 0.00 0.00 56.01 56.16 1a3x n LEU 10 Cb 0.27 -0.11 0.02 0.00 -1.62 0.00 0.00 43.42 41.98 1a3x n LEU 10 CO 0.09 -0.27 -0.12 0.59 -1.22 0.00 0.00 177.39 176.47 1a3x n ASN 11 N -2.10 -2.28 -3.31 -1.43 4.13 -1.26 -4.87 115.26 104.13 1a3x n ASN 11 Ca 0.09 -0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.25 1a3x n ASN 11 Cb 0.55 -0.67 0.00 0.00 -1.54 0.00 0.00 39.78 38.11 1a3x n ASN 11 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1a3x n VAL 12 N -0.21 0.00 -0.79 2.41 0.24 -1.26 -4.98 118.33 113.74 1a3x n VAL 12 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1a3x n VAL 12 Cb 0.29 -0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.59 1a3x n VAL 12 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1a3x n VAL 13 N -2.28 -1.81 -1.68 3.34 0.31 -1.26 -4.91 118.33 110.05 1a3x n VAL 13 Ca 0.00 0.00 -0.47 0.00 -0.01 0.00 0.00 64.34 63.86 1a3x n VAL 13 Cb 0.00 -2.49 -0.04 0.00 -0.91 0.00 0.00 33.84 30.39 1a3x n VAL 13 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a3x n ALA 14 N 0.28 1.04 -1.85 3.52 0.00 -1.26 -4.95 120.51 117.30 1a3x n ALA 14 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1a3x n ALA 14 Cb 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 16.91 1a3x n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a3x n GLY 15 N 4.43 1.76 0.10 0.00 0.00 -1.26 -5.03 105.19 105.19 1a3x n GLY 15 Ca 0.22 -1.72 -0.08 0.00 0.00 0.00 0.00 46.02 44.44 1a3x n GLY 15 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1a3x h SER 16 N 0.00 0.13 -2.88 1.61 4.64 -2.01 -3.47 113.55 111.58 1a3x h SER 16 Ca 0.00 -0.12 -0.57 0.00 -0.47 0.00 0.00 61.79 60.64 1a3x h SER 16 Cb 0.00 -0.04 0.08 0.00 -0.31 0.00 0.00 62.40 62.13 1a3x h SER 16 CO 0.00 0.98 0.69 0.47 -0.87 0.00 0.00 176.83 178.10 1a3x n ASP 17 N -3.54 3.09 -4.76 4.97 8.00 -1.26 -4.96 116.55 118.08 1a3x n ASP 17 Ca -0.02 1.15 -0.39 0.00 0.71 0.00 0.00 54.79 56.23 1a3x n ASP 17 Cb 0.85 -1.48 -0.05 0.00 -0.02 0.00 0.00 41.12 40.42 1a3x n ASP 17 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1a3x s LEU 18 N -0.11 4.47 0.31 0.64 1.02 -1.26 -4.98 118.68 118.77 1a3x s LEU 18 Ca 0.66 2.05 -0.29 0.00 0.02 0.00 0.00 54.13 56.57 1a3x s LEU 18 Cb -0.60 -3.80 -0.12 0.00 0.02 0.00 0.00 46.19 41.69 1a3x s LEU 18 CO 0.50 -0.10 1.43 -1.14 0.02 0.00 0.00 176.35 177.06 1a3x n ARG 19 N 0.93 2.34 -0.01 1.70 0.63 -1.26 -4.91 116.66 116.09 1a3x n ARG 19 Ca 0.00 0.83 0.08 0.00 -0.92 0.00 0.00 57.85 57.83 1a3x n ARG 19 Cb 0.47 -2.50 -0.11 0.00 0.45 0.00 0.00 32.46 30.77 1a3x n ARG 19 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1a3x n ARG 20 N 1.31 0.78 -3.36 -0.14 1.74 -1.26 -4.94 116.66 110.79 1a3x n ARG 20 Ca 0.07 -0.11 -0.39 0.00 -0.77 0.00 0.00 57.85 56.65 1a3x n ARG 20 Cb 0.35 -1.33 -0.08 0.00 -1.02 0.00 0.00 32.46 30.38 1a3x n ARG 20 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1a3x s THR 21 N -2.93 5.16 0.35 0.55 2.01 -1.26 -0.15 115.64 119.36 1a3x s THR 21 Ca -0.03 0.66 -0.28 0.00 0.31 0.00 0.00 61.69 62.34 1a3x s THR 21 Cb 0.10 -3.73 -0.10 0.00 0.01 0.00 0.00 72.50 68.78 1a3x s THR 21 CO 0.63 0.16 1.32 -0.44 -0.69 0.00 0.00 174.62 175.60 1a3x s SER 22 N 1.49 6.68 -0.40 3.53 0.01 -1.23 -4.85 113.70 118.92 1a3x s SER 22 Ca 0.17 2.72 -0.13 0.00 1.31 0.00 0.00 55.95 60.02 1a3x s SER 22 Cb -0.15 -2.65 0.04 0.00 0.21 0.00 0.00 66.02 63.46 1a3x s SER 22 CO 0.09 -0.60 0.27 -0.63 0.41 0.00 0.00 173.24 172.78 1a3x s ILE 23 N -1.16 4.89 -0.02 1.44 1.01 -1.26 -1.77 121.20 124.33 1a3x s ILE 23 Ca 0.50 -0.86 -0.24 0.00 0.00 0.00 0.00 60.65 60.05 1a3x s ILE 23 Cb -0.40 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 1a3x s ILE 23 CO 0.53 -0.33 0.74 -0.63 0.00 0.00 0.00 174.94 175.25 1a3x s ILE 24 N 1.60 4.93 -0.06 2.92 1.01 0.33 -1.39 121.20 130.54 1a3x s ILE 24 Ca 0.03 1.54 -0.02 0.00 0.00 0.00 0.00 60.65 62.21 1a3x s ILE 24 Cb -0.20 -4.08 0.03 0.00 0.01 0.00 0.00 42.46 38.22 1a3x s ILE 24 CO 0.08 0.29 0.02 -0.83 0.00 0.00 0.00 174.94 174.49 1a3x s GLY 25 N 0.50 0.39 0.40 6.18 0.00 -0.59 -1.08 107.32 113.12 1a3x s GLY 25 Ca 0.39 -0.03 -0.26 0.00 0.00 0.00 0.00 44.72 44.82 1a3x s GLY 25 CO 0.20 1.23 1.20 -1.59 0.00 0.00 0.00 173.10 174.15 1a3x s THR 26 N 2.04 3.02 -0.13 0.90 2.01 0.40 -1.80 115.64 122.07 1a3x s THR 26 Ca 0.05 0.88 -0.01 0.00 0.31 0.00 0.00 61.69 62.92 1a3x s THR 26 Cb -0.12 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 1a3x s THR 26 CO -0.05 0.10 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.27 1a3x s ILE 27 N -1.36 3.51 0.55 1.82 -1.09 -0.55 -2.87 121.20 121.22 1a3x s ILE 27 Ca 0.56 -0.51 0.06 0.00 -2.23 0.00 0.00 60.65 58.54 1a3x s ILE 27 Cb -0.33 -2.49 0.05 0.00 -1.58 0.00 0.00 42.46 38.11 1a3x s ILE 27 CO 0.42 0.53 0.49 -0.83 -1.23 0.00 0.00 174.94 174.31 1a3x s GLY 28 N 0.11 2.23 0.21 6.18 0.00 -1.24 -4.75 107.32 110.06 1a3x s GLY 28 Ca -0.03 -1.46 -0.09 0.00 0.00 0.00 0.00 44.72 43.14 1a3x s GLY 28 CO 0.04 -1.88 1.73 -2.55 0.00 0.00 0.00 173.10 170.43 1a3x h PRO 29 N 0.63 0.34 0.07 2.90 0.11 -1.93 -0.13 132.00 133.99 1a3x h PRO 29 Ca -0.35 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1a3x h PRO 29 Cb 1.30 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1a3x h PRO 29 CO 0.54 0.22 -0.23 -0.22 -0.21 0.00 0.00 178.00 178.09 1a3x h LYS 30 N 0.35 -0.33 0.00 1.05 3.11 -1.91 -1.95 116.57 116.89 1a3x h LYS 30 Ca 0.31 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.18 1a3x h LYS 30 Cb 0.43 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.73 1a3x h LYS 30 CO -0.35 -0.22 0.01 0.25 -2.81 0.00 0.00 179.45 176.33 1a3x n THR 31 N -3.78 1.48 -2.53 1.00 -2.24 -0.95 -4.50 114.28 102.77 1a3x n THR 31 Ca -0.04 0.63 -0.40 0.00 -2.27 0.00 0.00 64.05 61.97 1a3x n THR 31 Cb 0.18 -1.63 -0.03 0.00 -2.10 0.00 0.00 70.33 66.76 1a3x n THR 31 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1a3x s ASN 32 N -3.52 6.40 0.00 3.42 2.47 -0.10 -4.14 114.94 119.47 1a3x s ASN 32 Ca -0.01 -1.35 0.00 0.00 0.42 0.00 0.00 52.86 51.92 1a3x s ASN 32 Cb 0.03 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.26 1a3x s ASN 32 CO 0.10 -1.60 0.00 -0.46 -3.72 0.00 0.00 177.10 171.42 1a3x n ASN 33 N 9.24 0.00 0.27 -4.21 6.94 -1.26 -5.00 115.26 121.24 1a3x n ASN 33 Ca 0.32 0.00 -0.17 0.00 -0.02 0.00 0.00 54.58 54.71 1a3x n ASN 33 Cb 0.51 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.83 1a3x n ASN 33 CO 0.00 0.00 0.00 -0.65 -1.03 0.00 0.00 177.26 175.58 1a3x h PRO 34 N 0.00 -0.90 -0.99 -0.53 0.11 -1.89 -0.13 132.00 127.68 1a3x h PRO 34 Ca 0.00 0.06 0.13 0.00 0.11 0.00 0.00 66.00 66.30 1a3x h PRO 34 Cb 0.00 0.21 -0.14 0.00 0.11 0.00 0.00 31.00 31.17 1a3x h PRO 34 CO 0.00 -0.60 -0.46 0.39 -0.21 0.00 0.00 178.00 177.11 1a3x n GLU 35 N -5.54 -0.31 0.03 1.05 4.71 -1.26 0.35 120.64 119.67 1a3x n GLU 35 Ca -0.11 1.51 -0.13 0.00 -0.01 0.00 0.00 57.16 58.41 1a3x n GLU 35 Cb 0.44 -2.23 -0.09 0.00 -1.01 0.00 0.00 31.44 28.56 1a3x n GLU 35 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 1a3x h THR 36 N 0.00 1.15 -0.37 2.62 2.02 -1.87 -1.77 112.91 114.70 1a3x h THR 36 Ca 0.27 -0.74 0.11 0.00 0.77 0.00 0.00 66.41 66.81 1a3x h THR 36 Cb 0.51 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1a3x h THR 36 CO -0.96 0.19 0.62 -0.07 0.37 0.00 0.00 175.52 175.67 1a3x h LEU 37 N -0.42 0.00 0.00 2.58 -0.00 0.90 0.18 115.31 118.55 1a3x h LEU 37 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.82 1a3x h LEU 37 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.02 1a3x h LEU 37 CO 0.01 0.00 -0.45 0.58 -0.00 0.00 0.00 178.44 178.58 1a3x h VAL 38 N 0.00 0.46 -0.74 1.22 2.07 0.41 -2.48 116.25 117.19 1a3x h VAL 38 Ca 0.17 -1.45 0.22 0.00 0.82 0.00 0.00 66.70 66.46 1a3x h VAL 38 Cb 1.42 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1a3x h VAL 38 CO -0.00 0.16 0.67 0.00 0.02 0.00 0.00 177.57 178.41 1a3x h ALA 39 N -0.74 2.58 0.09 1.67 0.00 -0.40 0.79 119.26 123.24 1a3x h ALA 39 Ca -0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1a3x h ALA 39 Cb 0.61 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1a3x h ALA 39 CO -0.05 -1.05 -0.04 -0.07 0.00 0.00 0.00 179.25 178.05 1a3x h LEU 40 N 0.00 -0.10 -0.80 0.00 4.07 -1.11 -2.26 115.31 115.11 1a3x h LEU 40 Ca 0.35 -0.50 -0.05 0.00 0.08 0.00 0.00 57.88 57.77 1a3x h LEU 40 Cb 1.68 0.03 -0.03 0.00 1.08 0.00 0.00 40.66 43.41 1a3x h LEU 40 CO -0.00 0.54 0.31 0.03 -1.08 0.00 0.00 178.44 178.23 1a3x h ARG 41 N -0.84 1.19 -0.54 1.13 3.08 -0.11 -0.43 114.38 117.87 1a3x h ARG 41 Ca -0.01 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.81 1a3x h ARG 41 Cb 0.59 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 1a3x h ARG 41 CO 0.02 0.97 0.33 0.87 -1.07 0.00 0.00 179.97 181.09 1a3x h LYS 42 N 1.16 0.74 0.00 0.04 1.57 0.33 -2.27 116.57 118.14 1a3x h LYS 42 Ca 0.26 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1a3x h LYS 42 Cb 0.23 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 1a3x h LYS 42 CO -0.02 0.53 -0.06 0.00 -0.57 0.00 0.00 179.45 179.33 1a3x h ALA 43 N 1.16 1.10 0.00 3.86 0.00 -1.05 -3.45 119.26 120.88 1a3x h ALA 43 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1a3x h ALA 43 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1a3x h ALA 43 CO -0.04 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1a3x n GLY 44 N -0.46 0.40 3.65 0.00 0.00 -0.86 -4.53 105.19 103.40 1a3x n GLY 44 Ca -0.01 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.53 1a3x n GLY 44 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1a3x n LEU 45 N 0.00 2.78 -0.04 0.99 7.94 -0.22 -4.32 117.00 124.13 1a3x n LEU 45 Ca 0.00 1.08 -0.05 0.00 -1.11 0.00 0.00 56.01 55.92 1a3x n LEU 45 Cb 0.00 -1.35 -0.02 0.00 0.53 0.00 0.00 43.42 42.58 1a3x n LEU 45 CO 0.00 -0.43 -0.38 0.59 -1.11 0.00 0.00 177.39 176.05 1a3x n ASN 46 N 3.76 1.28 -4.68 1.96 4.13 -0.48 -4.50 115.26 116.72 1a3x n ASN 46 Ca 0.18 0.21 -0.30 0.00 1.68 0.00 0.00 54.58 56.36 1a3x n ASN 46 Cb 0.26 -0.58 -0.08 0.00 -1.54 0.00 0.00 39.78 37.84 1a3x n ASN 46 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1a3x s ILE 47 N -2.24 3.96 -0.03 2.41 1.01 -1.16 -3.31 121.20 121.84 1a3x s ILE 47 Ca -0.16 -1.05 0.02 0.00 0.00 0.00 0.00 60.65 59.46 1a3x s ILE 47 Cb 0.02 -2.90 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 1a3x s ILE 47 CO 0.24 0.09 -0.08 -0.69 0.00 0.00 0.00 174.94 174.50 1a3x s VAL 48 N -1.36 3.58 -0.03 2.92 1.01 0.13 -1.54 120.40 125.11 1a3x s VAL 48 Ca 0.26 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.63 1a3x s VAL 48 Cb -0.11 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1a3x s VAL 48 CO 0.18 0.49 -0.20 -0.60 0.00 0.00 0.00 175.10 174.98 1a3x s ARG 49 N -1.10 1.84 -0.26 2.72 3.52 -0.74 -1.91 118.95 123.01 1a3x s ARG 49 Ca 0.15 -0.70 0.01 0.00 -0.13 0.00 0.00 55.73 55.05 1a3x s ARG 49 Cb -0.11 -1.66 0.05 0.00 -1.56 0.00 0.00 34.95 31.67 1a3x s ARG 49 CO 0.04 0.35 -0.08 -1.64 -0.81 0.00 0.00 175.30 173.16 1a3x s MET 50 N -0.22 2.42 -0.45 5.12 -1.94 -0.71 -1.48 119.30 122.04 1a3x s MET 50 Ca 0.01 -1.24 -0.29 0.00 -1.71 0.00 0.00 55.69 52.47 1a3x s MET 50 Cb -0.10 -2.96 0.01 0.00 2.01 0.00 0.00 34.83 33.79 1a3x s MET 50 CO 0.01 -0.53 1.39 1.21 -0.01 0.00 0.00 175.02 177.09 1a3x s ASN 51 N 1.18 6.31 0.00 3.03 2.47 -1.26 -1.72 114.94 124.95 1a3x s ASN 51 Ca -0.06 0.68 0.00 0.00 0.42 0.00 0.00 52.86 53.90 1a3x s ASN 51 Cb -0.19 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.07 1a3x s ASN 51 CO -0.04 -1.48 0.77 0.49 -3.72 0.00 0.00 177.10 173.11 1a3x n PHE 52 N 8.92 0.00 0.14 0.43 3.01 -0.78 -3.38 117.46 125.81 1a3x n PHE 52 Ca 0.15 -0.31 0.09 0.00 1.01 0.00 0.00 57.45 58.39 1a3x n PHE 52 Cb 0.48 -0.19 0.05 0.00 -0.01 0.00 0.00 39.48 39.82 1a3x n PHE 52 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1a3x h SER 53 N 0.14 0.00 -5.34 4.37 0.02 -1.85 -3.34 113.55 107.56 1a3x h SER 53 Ca 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1a3x h SER 53 Cb 0.77 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.17 1a3x h SER 53 CO 0.00 0.14 -0.45 -1.00 -1.14 0.00 0.00 176.83 174.38 1a3x s HIS 54 N -3.20 0.61 0.00 3.45 3.76 -1.22 -5.04 115.29 113.65 1a3x s HIS 54 Ca 0.02 -0.97 0.00 0.00 -0.15 0.00 0.00 55.06 53.97 1a3x s HIS 54 Cb 0.08 -0.23 0.00 0.00 1.11 0.00 0.00 32.58 33.54 1a3x s HIS 54 CO 0.74 -0.65 0.00 0.41 -0.85 0.00 0.00 174.74 174.39 1a3x n GLY 55 N -0.18 0.63 3.91 -2.22 0.00 -1.26 -4.92 105.19 101.15 1a3x n GLY 55 Ca -0.06 -1.48 -0.27 0.00 0.00 0.00 0.00 46.02 44.21 1a3x n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a3x s SER 56 N -0.63 5.92 0.32 1.61 1.04 -1.26 -4.84 113.70 115.86 1a3x s SER 56 Ca 0.00 0.86 0.22 0.00 0.48 0.00 0.00 55.95 57.51 1a3x s SER 56 Cb 0.00 -1.99 1.19 0.00 0.10 0.00 0.00 66.02 65.32 1a3x s SER 56 CO 0.00 -0.85 1.68 -1.22 0.98 0.00 0.00 173.24 173.84 1a3x n TYR 57 N -2.46 0.76 -0.02 5.02 4.02 -1.26 0.14 117.16 123.37 1a3x n TYR 57 Ca 0.03 0.39 -0.17 0.00 -0.01 0.00 0.00 57.90 58.14 1a3x n TYR 57 Cb 0.56 -1.12 -0.13 0.00 -0.02 0.00 0.00 39.34 38.63 1a3x n TYR 57 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 1a3x h GLU 58 N 0.00 0.14 -0.87 -0.72 4.57 -1.98 0.19 114.58 115.92 1a3x h GLU 58 Ca 0.00 -0.23 0.23 0.00 -1.18 0.00 0.00 59.36 58.18 1a3x h GLU 58 Cb 0.03 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.66 1a3x h GLU 58 CO 0.00 1.09 0.60 1.88 -1.18 0.00 0.00 179.01 181.40 1a3x h TYR 59 N -0.69 0.23 0.00 0.92 -1.99 0.95 -2.73 116.97 113.66 1a3x h TYR 59 Ca -0.06 0.01 -0.35 0.00 2.00 0.00 0.00 58.73 60.33 1a3x h TYR 59 Cb 1.26 -0.07 -0.05 0.00 2.00 0.00 0.00 36.73 39.86 1a3x h TYR 59 CO 0.23 0.06 -2.14 0.72 -0.00 0.00 0.00 178.16 177.03 1a3x n HIS 60 N -4.38 0.04 -0.31 4.88 8.25 0.59 -4.25 115.22 120.04 1a3x n HIS 60 Ca 0.18 0.02 0.35 0.00 -0.26 0.00 0.00 57.72 58.01 1a3x n HIS 60 Cb 0.82 -0.88 0.71 0.00 1.12 0.00 0.00 29.99 31.76 1a3x n HIS 60 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1a3x h LYS 61 N -1.00 0.00 0.82 -0.41 3.11 -0.61 0.44 116.57 118.92 1a3x h LYS 61 Ca -0.53 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.27 1a3x h LYS 61 Cb 1.46 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.69 1a3x h LYS 61 CO -0.32 0.00 -0.40 0.66 -2.81 0.00 0.00 179.45 176.59 1a3x h SER 62 N 0.00 -0.94 -0.86 4.20 4.64 -1.69 -3.15 113.55 115.76 1a3x h SER 62 Ca 0.56 0.03 0.16 0.00 -0.47 0.00 0.00 61.79 62.07 1a3x h SER 62 Cb 2.47 0.24 -0.16 0.00 -0.31 0.00 0.00 62.40 64.65 1a3x h SER 62 CO -0.01 -0.67 -0.26 0.58 -0.87 0.00 0.00 176.83 175.60 1a3x h VAL 63 N -1.11 0.11 0.13 0.95 2.07 -0.29 -2.52 116.25 115.59 1a3x h VAL 63 Ca -0.11 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1a3x h VAL 63 Cb 0.85 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1a3x h VAL 63 CO 0.19 0.00 -0.19 0.40 0.02 0.00 0.00 177.57 177.99 1a3x h ILE 64 N -0.02 0.00 0.00 4.57 2.04 -1.48 -1.06 117.51 121.56 1a3x h ILE 64 Ca 0.38 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.24 1a3x h ILE 64 Cb 0.62 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1a3x h ILE 64 CO -0.89 0.00 0.00 -0.90 0.00 0.00 0.00 178.15 176.36 1a3x n ASP 65 N -3.49 0.00 0.03 1.72 5.68 -1.14 0.06 116.55 119.41 1a3x n ASP 65 Ca -0.04 0.01 -0.18 0.00 -0.50 0.00 0.00 54.79 54.08 1a3x n ASP 65 Cb 0.16 -0.16 -0.14 0.00 -1.14 0.00 0.00 41.12 39.84 1a3x n ASP 65 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1a3x h ASN 66 N 0.00 0.37 -0.11 -1.12 -0.26 -0.93 -0.82 115.58 112.71 1a3x h ASN 66 Ca 0.00 -0.68 -0.10 0.00 -0.56 0.00 0.00 56.30 54.96 1a3x h ASN 66 Cb 0.04 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.18 1a3x h ASN 66 CO 0.00 1.60 -0.32 0.00 -1.06 0.00 0.00 177.43 177.65 1a3x h ALA 67 N 0.35 0.18 -0.43 -0.83 0.00 0.82 0.13 119.26 119.48 1a3x h ALA 67 Ca -0.34 -0.43 0.07 0.00 0.00 0.00 0.00 54.91 54.21 1a3x h ALA 67 Cb 2.04 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 1a3x h ALA 67 CO 0.12 0.23 0.29 0.00 0.00 0.00 0.00 179.25 179.89 1a3x h ARG 68 N -0.03 0.28 -0.34 0.00 2.47 -0.48 0.14 114.38 116.42 1a3x h ARG 68 Ca -0.01 -0.02 -0.17 0.00 -1.26 0.00 0.00 59.98 58.53 1a3x h ARG 68 Cb 0.94 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 29.19 1a3x h ARG 68 CO 0.07 0.18 -0.44 0.87 0.56 0.00 0.00 179.97 181.21 1a3x h LYS 69 N 0.29 0.89 -0.17 0.04 1.79 -0.49 -2.16 116.57 116.76 1a3x h LYS 69 Ca 0.19 -0.51 -0.06 0.00 -2.18 0.00 0.00 60.65 58.09 1a3x h LYS 69 Cb 0.39 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.06 1a3x h LYS 69 CO -0.04 1.15 -0.18 0.66 -1.08 0.00 0.00 179.45 179.96 1a3x h SER 70 N 0.69 0.27 -0.71 0.86 4.64 0.17 -0.49 113.55 118.99 1a3x h SER 70 Ca 0.04 -0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 1a3x h SER 70 Cb 1.04 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 63.02 1a3x h SER 70 CO 0.10 0.47 0.22 -0.33 -0.87 0.00 0.00 176.83 176.42 1a3x h GLU 71 N 0.26 1.11 0.63 4.77 4.39 -0.65 -1.77 114.58 123.32 1a3x h GLU 71 Ca 0.05 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.48 1a3x h GLU 71 Cb 0.47 -0.16 0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1a3x h GLU 71 CO 0.03 0.95 -0.30 0.93 -1.16 0.00 0.00 179.01 179.46 1a3x h GLU 72 N 1.07 -0.81 -1.11 2.33 5.08 -0.63 0.10 114.58 120.61 1a3x h GLU 72 Ca 0.23 0.06 0.33 0.00 -1.00 0.00 0.00 59.36 58.97 1a3x h GLU 72 Cb 0.31 0.18 -0.12 0.00 0.50 0.00 0.00 28.75 29.62 1a3x h GLU 72 CO -0.01 -0.54 0.69 -0.07 -1.00 0.00 0.00 179.01 178.09 1a3x h LEU 73 N -1.07 0.42 -6.00 1.33 3.38 -1.09 -3.38 115.31 108.91 1a3x h LEU 73 Ca -0.09 0.13 0.19 0.00 0.09 0.00 0.00 57.88 58.21 1a3x h LEU 73 Cb 0.64 0.08 -0.20 0.00 0.09 0.00 0.00 40.66 41.27 1a3x h LEU 73 CO 0.14 -0.05 -0.03 -0.47 0.09 0.00 0.00 178.44 178.13 1a3x s TYR 74 N -5.50 -0.73 0.17 1.13 5.04 -0.67 -5.08 117.35 111.71 1a3x s TYR 74 Ca -0.09 0.55 -0.21 0.00 -2.44 0.00 0.00 57.07 54.88 1a3x s TYR 74 Cb 0.28 0.17 0.08 0.00 0.35 0.00 0.00 41.96 42.84 1a3x s TYR 74 CO 0.80 -0.42 1.61 -1.35 -1.34 0.00 0.00 175.55 174.86 1a3x h PRO 75 N 7.64 -0.19 0.00 4.97 0.11 -0.96 -3.39 132.00 140.17 1a3x h PRO 75 Ca -0.10 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1a3x h PRO 75 Cb 1.18 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1a3x h PRO 75 CO -0.05 -0.13 0.00 0.41 -0.21 0.00 0.00 178.00 178.02 1a3x n GLY 76 N -1.40 2.70 3.77 -0.55 0.00 -1.26 -4.29 105.19 104.15 1a3x n GLY 76 Ca 0.02 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 1a3x n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a3x s ARG 77 N 0.00 4.61 0.30 1.61 1.81 -1.26 -4.97 118.95 121.04 1a3x s ARG 77 Ca 0.00 1.45 -0.29 0.00 -1.72 0.00 0.00 55.73 55.16 1a3x s ARG 77 Cb 0.00 -2.93 -0.11 0.00 -0.45 0.00 0.00 34.95 31.46 1a3x s ARG 77 CO 0.00 0.28 1.50 -2.14 -0.68 0.00 0.00 175.30 174.26 1a3x s PRO 78 N -1.82 4.19 0.20 3.54 0.02 -1.26 -4.98 135.00 134.87 1a3x s PRO 78 Ca 0.48 2.46 0.05 0.00 0.02 0.00 0.00 61.00 64.01 1a3x s PRO 78 Cb -0.22 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.22 1a3x s PRO 78 CO 0.28 -0.51 0.24 -1.17 -0.33 0.00 0.00 177.00 175.52 1a3x s LEU 79 N -0.90 4.09 -0.07 -5.54 2.96 -1.26 -4.91 118.68 113.04 1a3x s LEU 79 Ca 0.59 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 54.50 1a3x s LEU 79 Cb -0.45 -2.65 0.01 0.00 0.50 0.00 0.00 46.19 43.60 1a3x s LEU 79 CO 0.50 0.01 -0.13 0.00 -1.32 0.00 0.00 176.35 175.41 1a3x s ALA 80 N -1.88 1.34 0.18 5.97 0.00 -1.21 -4.88 121.76 121.29 1a3x s ALA 80 Ca 0.33 -0.46 -0.15 0.00 0.00 0.00 0.00 51.96 51.68 1a3x s ALA 80 Cb -0.10 -0.59 -0.07 0.00 0.00 0.00 0.00 23.12 22.36 1a3x s ALA 80 CO 0.27 0.13 0.59 0.42 0.00 0.00 0.00 175.76 177.17 1a3x s ILE 81 N 0.63 4.81 -0.14 0.00 -1.09 -1.26 0.21 121.20 124.36 1a3x s ILE 81 Ca -0.15 0.88 -0.06 0.00 -2.23 0.00 0.00 60.65 59.09 1a3x s ILE 81 Cb -0.16 -3.74 0.06 0.00 -1.58 0.00 0.00 42.46 37.04 1a3x s ILE 81 CO 0.04 0.18 0.31 0.00 -1.23 0.00 0.00 174.94 174.24 1a3x s ALA 82 N -1.54 -0.73 0.12 9.38 0.00 -0.80 -1.89 121.76 126.30 1a3x s ALA 82 Ca 0.40 1.15 -0.27 0.00 0.00 0.00 0.00 51.96 53.25 1a3x s ALA 82 Cb -0.15 -0.90 -0.07 0.00 0.00 0.00 0.00 23.12 22.01 1a3x s ALA 82 CO 0.20 -0.42 0.83 -1.17 0.00 0.00 0.00 175.76 175.20 1a3x s LEU 83 N 1.81 4.52 -0.58 0.00 2.96 -1.25 -1.74 118.68 124.40 1a3x s LEU 83 Ca -0.05 1.64 0.04 0.00 -0.22 0.00 0.00 54.13 55.54 1a3x s LEU 83 Cb -0.11 -3.38 0.15 0.00 0.50 0.00 0.00 46.19 43.36 1a3x s LEU 83 CO -0.10 0.07 0.36 -0.62 -1.32 0.00 0.00 176.35 174.74 1a3x s ASP 84 N -0.47 4.21 0.03 3.68 -1.08 -0.70 -1.02 116.67 121.32 1a3x s ASP 84 Ca 0.40 -3.32 -0.06 0.00 -0.52 0.00 0.00 52.55 49.06 1a3x s ASP 84 Cb -0.23 -1.45 -0.03 0.00 -1.46 0.00 0.00 42.92 39.75 1a3x s ASP 84 CO 0.27 -0.17 0.12 0.41 0.52 0.00 0.00 175.17 176.31 1a3x n THR 85 N 2.67 0.29 -2.73 1.71 -1.04 -1.23 -1.86 114.28 112.10 1a3x n THR 85 Ca 0.14 -0.07 -0.43 0.00 -2.04 0.00 0.00 64.05 61.65 1a3x n THR 85 Cb 0.35 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.86 1a3x n THR 85 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1a3x n LYS 86 N 0.20 4.01 -0.62 -2.82 0.00 -1.25 -4.35 118.16 113.33 1a3x n LYS 86 Ca 0.03 -4.07 -0.20 0.00 0.00 0.00 0.00 58.31 54.07 1a3x n LYS 86 Cb 0.04 -2.72 0.12 0.00 0.00 0.00 0.00 35.03 32.47 1a3x n LYS 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1a3x n GLY 87 N 2.17 -2.38 3.57 3.14 0.00 -1.26 -4.68 105.19 105.75 1a3x n GLY 87 Ca 0.32 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 1a3x n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a3x s PRO 88 N -3.16 1.97 0.46 1.61 0.04 -1.26 -4.91 135.00 129.75 1a3x s PRO 88 Ca 0.35 -0.39 0.07 0.00 0.04 0.00 0.00 61.00 61.08 1a3x s PRO 88 Cb -0.05 -5.03 0.08 0.00 0.04 0.00 0.00 34.50 29.54 1a3x s PRO 88 CO 0.39 -4.33 0.63 -0.85 0.04 0.00 0.00 177.00 172.87 1a3x n GLU 89 N 8.52 0.67 -3.81 4.56 0.28 -1.26 -5.03 120.64 124.57 1a3x n GLU 89 Ca 0.43 -2.43 -0.29 0.00 -0.16 0.00 0.00 57.16 54.71 1a3x n GLU 89 Cb 0.46 -0.20 -0.16 0.00 1.43 0.00 0.00 31.44 32.97 1a3x n GLU 89 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1a3x s ILE 90 N -1.82 1.02 -0.32 3.84 -1.09 -1.26 -4.89 121.20 116.68 1a3x s ILE 90 Ca 0.48 -1.07 -0.12 0.00 -2.23 0.00 0.00 60.65 57.71 1a3x s ILE 90 Cb -0.04 -1.52 -0.02 0.00 -1.58 0.00 0.00 42.46 39.30 1a3x s ILE 90 CO 0.30 -0.31 0.20 -0.13 -1.23 0.00 0.00 174.94 173.78 1a3x s ARG 91 N 1.60 3.58 0.89 2.79 1.81 -1.26 0.20 118.95 128.56 1a3x s ARG 91 Ca 0.01 -0.58 -0.11 0.00 -1.72 0.00 0.00 55.73 53.33 1a3x s ARG 91 Cb -0.18 -3.71 0.13 0.00 -0.45 0.00 0.00 34.95 30.74 1a3x s ARG 91 CO -0.12 -0.37 1.10 -0.08 -0.68 0.00 0.00 175.30 175.16 1a3x s THR 92 N 1.71 2.60 0.29 0.02 -1.32 -0.74 -3.13 115.64 115.08 1a3x s THR 92 Ca 0.06 0.20 -0.05 0.00 -1.21 0.00 0.00 61.69 60.69 1a3x s THR 92 Cb -0.17 -2.48 0.07 0.00 -1.51 0.00 0.00 72.50 68.42 1a3x s THR 92 CO 0.10 -0.26 0.21 0.61 -2.21 0.00 0.00 174.62 173.07 1a3x n GLY 93 N -0.50 -3.21 3.85 6.08 0.00 0.07 -3.31 105.19 108.16 1a3x n GLY 93 Ca 0.09 -1.34 -0.28 0.00 0.00 0.00 0.00 46.02 44.49 1a3x n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a3x s THR 94 N -1.32 4.83 -0.11 2.61 -4.23 -0.26 -1.38 115.64 115.78 1a3x s THR 94 Ca 0.15 -0.82 -0.28 0.00 -1.18 0.00 0.00 61.69 59.56 1a3x s THR 94 Cb -0.02 -3.43 -0.02 0.00 1.34 0.00 0.00 72.50 70.38 1a3x s THR 94 CO 0.12 -0.02 0.93 0.42 -0.54 0.00 0.00 174.62 175.53 1a3x s THR 95 N -1.63 4.84 0.00 3.99 -4.23 -1.23 -2.11 115.64 115.27 1a3x s THR 95 Ca 0.32 1.88 0.00 0.00 -1.18 0.00 0.00 61.69 62.71 1a3x s THR 95 Cb -0.11 -4.24 0.00 0.00 1.34 0.00 0.00 72.50 69.49 1a3x s THR 95 CO 0.25 0.05 0.00 0.35 -0.54 0.00 0.00 174.62 174.73 1a3x n THR 96 N 4.46 0.00 -0.65 3.99 -2.24 -1.15 -1.69 114.28 117.00 1a3x n THR 96 Ca 0.06 0.02 -0.23 0.00 -2.27 0.00 0.00 64.05 61.63 1a3x n THR 96 Cb 0.49 -0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 1a3x n THR 96 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1a3x n ASN 97 N 0.00 3.17 0.00 3.42 5.03 -1.26 -4.85 115.26 120.77 1a3x n ASN 97 Ca 0.00 -2.33 0.00 0.00 0.87 0.00 0.00 54.58 53.12 1a3x n ASN 97 Cb 0.00 -0.94 0.00 0.00 -1.02 0.00 0.00 39.78 37.82 1a3x n ASN 97 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1a3x n ASP 98 N 5.30 0.00 -0.69 6.41 2.03 -0.68 -2.80 116.55 126.13 1a3x n ASP 98 Ca 0.36 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.67 1a3x n ASP 98 Cb 0.17 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 1a3x n ASP 98 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1a3x n VAL 99 N 0.00 0.00 -2.20 5.18 0.31 -1.26 -4.19 118.33 116.17 1a3x n VAL 99 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1a3x n VAL 99 Cb 0.00 -0.14 -0.03 0.00 -0.91 0.00 0.00 33.84 32.76 1a3x n VAL 99 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1a3x s ASP 100 N -0.30 6.88 -0.54 4.52 1.47 -1.12 -4.98 116.67 122.60 1a3x s ASP 100 Ca 0.00 2.52 0.04 0.00 1.18 0.00 0.00 52.55 56.29 1a3x s ASP 100 Cb 0.00 -2.63 0.16 0.00 -0.34 0.00 0.00 42.92 40.11 1a3x s ASP 100 CO 0.00 -0.49 0.39 -0.31 0.68 0.00 0.00 175.17 175.44 1a3x s TYR 101 N -0.58 2.35 0.63 2.11 2.02 -1.26 -4.73 117.35 117.89 1a3x s TYR 101 Ca 0.52 -2.79 -0.19 0.00 -0.37 0.00 0.00 57.07 54.24 1a3x s TYR 101 Cb -0.38 -1.89 -0.02 0.00 -0.40 0.00 0.00 41.96 39.28 1a3x s TYR 101 CO 0.45 -0.70 1.31 -2.14 -1.57 0.00 0.00 175.55 172.90 1a3x s PRO 102 N -0.54 2.66 -0.34 -1.71 0.02 -1.21 -4.55 135.00 129.34 1a3x s PRO 102 Ca 0.26 2.10 -0.03 0.00 0.02 0.00 0.00 61.00 63.35 1a3x s PRO 102 Cb -0.05 -1.92 0.06 0.00 0.02 0.00 0.00 34.50 32.61 1a3x s PRO 102 CO -0.14 -1.52 0.09 0.42 -0.33 0.00 0.00 177.00 175.51 1a3x s ILE 103 N -1.37 3.28 0.16 2.83 1.01 -1.26 0.10 121.20 125.94 1a3x s ILE 103 Ca 0.81 -1.52 -0.30 0.00 0.00 0.00 0.00 60.65 59.64 1a3x s ILE 103 Cb -0.38 -2.98 -0.07 0.00 0.01 0.00 0.00 42.46 39.03 1a3x s ILE 103 CO 0.41 -0.30 0.94 -2.16 0.00 0.00 0.00 174.94 173.84 1a3x s PRO 104 N 1.26 4.75 -0.17 2.79 0.04 -0.97 -4.95 135.00 137.75 1a3x s PRO 104 Ca -0.00 1.45 -0.05 0.00 0.04 0.00 0.00 61.00 62.43 1a3x s PRO 104 Cb -0.21 -3.34 -0.23 0.00 0.04 0.00 0.00 34.50 30.77 1a3x s PRO 104 CO -0.01 0.33 0.16 -0.35 0.04 0.00 0.00 177.00 177.18 1a3x n PRO 105 N 2.29 0.71 0.00 0.56 -0.04 -1.26 -3.32 135.00 133.95 1a3x n PRO 105 Ca 0.00 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1a3x n PRO 105 Cb 0.48 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1a3x n PRO 105 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1a3x n ASN 106 N -3.49 0.00 -4.92 3.54 5.15 -1.26 -3.20 115.26 111.08 1a3x n ASN 106 Ca -0.37 0.00 -0.21 0.00 -0.60 0.00 0.00 54.58 53.41 1a3x n ASN 106 Cb 1.01 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 40.32 1a3x n ASN 106 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1a3x s HIS 107 N 0.00 2.14 0.04 1.20 -3.43 -1.26 -4.65 115.29 109.33 1a3x s HIS 107 Ca 0.00 -0.34 -0.09 0.00 -0.80 0.00 0.00 55.06 53.83 1a3x s HIS 107 Cb 0.00 -2.61 -0.05 0.00 -1.43 0.00 0.00 32.58 28.49 1a3x s HIS 107 CO 0.00 -1.08 0.34 -1.21 -2.00 0.00 0.00 174.74 170.79 1a3x s GLU 108 N -4.76 3.70 0.00 -0.38 2.02 -1.26 -0.61 118.70 117.41 1a3x s GLU 108 Ca 0.60 0.10 0.00 0.00 0.02 0.00 0.00 54.97 55.69 1a3x s GLU 108 Cb -0.08 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.10 1a3x s GLU 108 CO 0.39 0.61 0.00 0.00 0.02 0.00 0.00 175.26 176.28 1a3x n MET 109 N 1.10 0.00 -3.49 1.61 0.00 0.21 -4.96 117.12 111.60 1a3x n MET 109 Ca -0.10 0.00 0.01 0.00 0.00 0.00 0.00 57.70 57.61 1a3x n MET 109 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.71 1a3x n MET 109 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 1a3x s ILE 110 N 0.41 -0.80 0.12 3.17 -1.16 -1.17 -2.47 121.20 119.30 1a3x s ILE 110 Ca 0.00 0.00 -0.17 0.00 -0.51 0.00 0.00 60.65 59.97 1a3x s ILE 110 Cb 0.00 -1.00 -0.07 0.00 0.61 0.00 0.00 42.46 42.00 1a3x s ILE 110 CO 0.00 0.00 0.57 -0.36 -2.81 0.00 0.00 174.94 172.34 1a3x s PHE 111 N 2.74 3.70 0.10 3.50 0.40 -0.46 -1.84 117.98 126.11 1a3x s PHE 111 Ca -0.02 1.17 -0.03 0.00 -0.60 0.00 0.00 56.93 57.45 1a3x s PHE 111 Cb -0.10 -2.44 -0.03 0.00 0.51 0.00 0.00 43.02 40.96 1a3x s PHE 111 CO -0.18 0.49 0.07 0.99 0.70 0.00 0.00 175.22 177.30 1a3x s THR 112 N -1.31 0.15 -0.50 0.64 2.01 0.37 -0.54 115.64 116.46 1a3x s THR 112 Ca 0.34 -1.67 0.08 0.00 0.31 0.00 0.00 61.69 60.74 1a3x s THR 112 Cb -0.17 -1.68 0.30 0.00 0.01 0.00 0.00 72.50 70.95 1a3x s THR 112 CO 0.19 -0.69 0.74 0.35 -0.69 0.00 0.00 174.62 174.52 1a3x n THR 113 N -0.02 1.23 -0.02 -0.82 -2.24 -0.53 -2.44 114.28 109.44 1a3x n THR 113 Ca -0.11 -4.88 0.04 0.00 -2.27 0.00 0.00 64.05 56.83 1a3x n THR 113 Cb 0.62 -1.47 -0.11 0.00 -2.10 0.00 0.00 70.33 67.28 1a3x n THR 113 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1a3x n ASP 114 N 0.57 1.81 0.00 3.42 2.03 -1.26 -4.96 116.55 118.16 1a3x n ASP 114 Ca 0.27 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.58 1a3x n ASP 114 Cb 0.49 1.44 0.00 0.00 -0.72 0.00 0.00 41.12 42.33 1a3x n ASP 114 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1a3x n ASP 115 N -2.10 0.00 0.23 1.67 9.92 -1.26 -4.67 116.55 120.34 1a3x n ASP 115 Ca -0.07 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.30 1a3x n ASP 115 Cb 0.50 -0.25 0.51 0.00 -0.64 0.00 0.00 41.12 41.24 1a3x n ASP 115 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1a3x h LYS 116 N 0.91 0.00 -0.26 -1.24 1.57 -1.96 -2.19 116.57 113.40 1a3x h LYS 116 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a3x h LYS 116 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1a3x h LYS 116 CO 0.00 0.20 0.00 0.66 -0.57 0.00 0.00 179.45 179.74 1a3x n TYR 117 N -3.41 0.34 0.00 -1.35 4.02 -1.26 -4.65 117.16 110.85 1a3x n TYR 117 Ca -0.00 -0.42 0.00 0.00 -0.01 0.00 0.00 57.90 57.47 1a3x n TYR 117 Cb 0.40 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.69 1a3x n TYR 117 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a3x n ALA 118 N 0.42 -0.07 0.23 -0.72 0.00 -0.82 -2.38 120.51 117.18 1a3x n ALA 118 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.64 1a3x n ALA 118 Cb 0.38 0.23 0.55 0.00 0.00 0.00 0.00 19.45 20.60 1a3x n ALA 118 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1a3x h LYS 119 N 0.00 0.00 -3.37 0.00 3.64 -1.81 -0.68 116.57 114.35 1a3x h LYS 119 Ca 0.00 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.70 1a3x h LYS 119 Cb 0.00 0.00 -0.37 0.00 -0.41 0.00 0.00 32.23 31.45 1a3x h LYS 119 CO 0.00 0.20 -0.34 0.00 -2.27 0.00 0.00 179.45 177.04 1a3x s ALA 120 N -3.82 3.83 -0.16 5.00 0.00 -1.00 -3.54 121.76 122.06 1a3x s ALA 120 Ca -0.01 -3.58 -0.16 0.00 0.00 0.00 0.00 51.96 48.22 1a3x s ALA 120 Cb 0.11 -2.58 0.04 0.00 0.00 0.00 0.00 23.12 20.70 1a3x s ALA 120 CO 0.62 -2.11 0.44 0.00 0.00 0.00 0.00 175.76 174.71 1a3x n ASP 122 N 2.79 0.00 0.00 0.00 5.75 -1.12 -2.93 116.55 121.05 1a3x n ASP 122 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.65 1a3x n ASP 122 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 1a3x n ASP 122 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1a3x n ASP 123 N 0.00 0.00 -0.01 -1.12 -0.08 -1.26 -3.22 116.55 110.86 1a3x n ASP 123 Ca 0.00 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 53.10 1a3x n ASP 123 Cb 0.00 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.32 1a3x n ASP 123 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1a3x h LYS 124 N 0.00 0.17 -5.12 -0.67 6.56 -1.96 -3.45 116.57 112.10 1a3x h LYS 124 Ca 0.00 -0.29 -0.50 0.00 -1.06 0.00 0.00 60.65 58.80 1a3x h LYS 124 Cb 0.00 0.11 -0.14 0.00 -0.57 0.00 0.00 32.23 31.63 1a3x h LYS 124 CO 0.00 1.14 -0.57 -1.50 -2.06 0.00 0.00 179.45 176.46 1a3x s ILE 125 N -2.35 0.89 -0.14 1.86 2.07 -1.20 -3.03 121.20 119.30 1a3x s ILE 125 Ca -0.17 -2.00 -0.11 0.00 -1.41 0.00 0.00 60.65 56.96 1a3x s ILE 125 Cb 0.00 -2.58 0.04 0.00 0.13 0.00 0.00 42.46 40.05 1a3x s ILE 125 CO 0.76 0.00 0.36 -0.32 -1.91 0.00 0.00 174.94 173.83 1a3x s MET 126 N -3.83 0.38 0.11 3.50 -2.45 -0.77 -2.78 119.30 113.46 1a3x s MET 126 Ca 0.31 0.58 -0.04 0.00 -1.25 0.00 0.00 55.69 55.28 1a3x s MET 126 Cb 0.06 0.10 -0.05 0.00 1.25 0.00 0.00 34.83 36.19 1a3x s MET 126 CO 0.15 -0.09 0.33 -0.47 1.05 0.00 0.00 175.02 175.98 1a3x s TYR 127 N 0.64 3.50 -0.07 4.11 5.04 -1.25 0.14 117.35 129.46 1a3x s TYR 127 Ca -0.04 0.50 -0.03 0.00 -2.44 0.00 0.00 57.07 55.06 1a3x s TYR 127 Cb -0.05 -1.95 0.04 0.00 0.35 0.00 0.00 41.96 40.35 1a3x s TYR 127 CO -0.04 0.49 0.14 0.14 -1.34 0.00 0.00 175.55 174.94 1a3x s VAL 128 N -1.58 -0.12 -2.00 3.14 -7.23 -1.02 -0.75 120.40 110.84 1a3x s VAL 128 Ca 0.38 0.24 0.03 0.00 -1.81 0.00 0.00 61.98 60.82 1a3x s VAL 128 Cb -0.12 -0.25 0.08 0.00 0.56 0.00 0.00 36.38 36.64 1a3x s VAL 128 CO 0.24 0.10 0.94 -0.90 -0.31 0.00 0.00 175.10 175.17 1a3x n ASP 129 N 4.58 0.00 -4.34 4.85 5.68 -1.18 -4.46 116.55 121.67 1a3x n ASP 129 Ca -0.19 -1.56 -0.47 0.00 -0.50 0.00 0.00 54.79 52.07 1a3x n ASP 129 Cb 0.51 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.47 1a3x n ASP 129 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1a3x s TYR 130 N -2.00 3.82 -0.02 2.11 5.04 -1.26 -4.92 117.35 120.12 1a3x s TYR 130 Ca 0.04 -2.09 0.13 0.00 -2.44 0.00 0.00 57.07 52.72 1a3x s TYR 130 Cb 0.02 -3.85 0.73 0.00 0.35 0.00 0.00 41.96 39.21 1a3x s TYR 130 CO 0.03 -1.01 1.31 1.63 -1.34 0.00 0.00 175.55 176.18 1a3x n LYS 131 N 3.89 0.09 -0.00 4.97 4.76 -1.26 -2.52 118.16 128.08 1a3x n LYS 131 Ca 0.16 0.57 0.08 0.00 -2.87 0.00 0.00 58.31 56.25 1a3x n LYS 131 Cb 0.46 -2.07 -0.12 0.00 -1.84 0.00 0.00 35.03 31.47 1a3x n LYS 131 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1a3x n ASN 132 N -2.05 0.92 -0.26 4.39 4.13 -1.26 -4.58 115.26 116.55 1a3x n ASN 132 Ca -0.01 -0.45 0.21 0.00 1.68 0.00 0.00 54.58 56.01 1a3x n ASN 132 Cb 0.29 1.40 0.39 0.00 -1.54 0.00 0.00 39.78 40.32 1a3x n ASN 132 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1a3x n ILE 133 N -1.75 -0.33 -0.03 2.41 3.06 -1.05 0.26 119.36 121.93 1a3x n ILE 133 Ca -0.00 1.64 0.23 0.00 -2.50 0.00 0.00 62.75 62.12 1a3x n ILE 133 Cb 0.36 -2.58 0.71 0.00 0.54 0.00 0.00 39.64 38.67 1a3x n ILE 133 CO 0.00 0.00 0.00 0.71 -2.50 0.00 0.00 176.55 174.76 1a3x h THR 134 N 0.00 0.62 0.00 9.51 1.35 -1.83 1.74 112.91 124.29 1a3x h THR 134 Ca 0.61 0.00 -0.19 0.00 -0.55 0.00 0.00 66.41 66.28 1a3x h THR 134 Cb 1.52 0.67 -0.03 0.00 -1.73 0.00 0.00 68.15 68.58 1a3x h THR 134 CO -0.65 0.00 -1.09 0.11 -0.25 0.00 0.00 175.52 173.64 1a3x h LYS 135 N 0.00 0.00 0.00 4.72 1.57 0.33 -3.37 116.57 119.82 1a3x h LYS 135 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1a3x h LYS 135 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1a3x h LYS 135 CO -0.00 0.88 0.00 -0.39 -0.57 0.00 0.00 179.45 179.37 1a3x h VAL 136 N -1.00 0.00 -3.00 0.50 -1.51 -1.02 -3.44 116.25 106.78 1a3x h VAL 136 Ca -0.29 -0.45 -0.51 0.00 -1.23 0.00 0.00 66.70 64.22 1a3x h VAL 136 Cb 1.19 1.37 -0.01 0.00 -2.13 0.00 0.00 31.29 31.71 1a3x h VAL 136 CO -0.17 0.00 -0.20 -0.51 -1.23 0.00 0.00 177.57 175.45 1a3x s ILE 137 N -3.52 5.09 -0.08 7.19 2.07 0.59 -4.58 121.20 127.95 1a3x s ILE 137 Ca 0.03 -0.19 -0.06 0.00 -1.41 0.00 0.00 60.65 59.02 1a3x s ILE 137 Cb 0.09 -3.77 0.03 0.00 0.13 0.00 0.00 42.46 38.94 1a3x s ILE 137 CO 0.51 -0.35 0.21 -0.55 -1.91 0.00 0.00 174.94 172.85 1a3x s SER 138 N -3.40 -0.21 -0.31 4.50 0.15 -1.26 -4.86 113.70 108.31 1a3x s SER 138 Ca 0.41 0.43 -0.44 0.00 0.70 0.00 0.00 55.95 57.06 1a3x s SER 138 Cb -0.10 0.37 -0.19 0.00 -1.71 0.00 0.00 66.02 64.39 1a3x s SER 138 CO 0.31 -0.12 1.49 0.00 1.20 0.00 0.00 173.24 176.13 1a3x n ALA 139 N 3.62 -1.62 0.00 5.45 0.00 -1.26 -0.80 120.51 125.90 1a3x n ALA 139 Ca -0.19 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1a3x n ALA 139 Cb 0.55 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1a3x n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a3x n GLY 140 N 3.40 0.62 3.56 0.00 0.00 0.13 -4.98 105.19 107.93 1a3x n GLY 140 Ca 0.27 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1a3x n GLY 140 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a3x n ARG 141 N 0.00 -0.29 -3.89 1.61 0.00 0.02 -4.46 116.66 109.66 1a3x n ARG 141 Ca 0.00 -0.02 -0.30 0.00 -0.00 0.00 0.00 57.85 57.52 1a3x n ARG 141 Cb 0.00 -2.16 -0.15 0.00 0.00 0.00 0.00 32.46 30.15 1a3x n ARG 141 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1a3x s ILE 142 N -2.45 1.47 0.52 5.15 1.01 -1.26 0.38 121.20 126.02 1a3x s ILE 142 Ca 0.64 -1.54 -0.18 0.00 0.00 0.00 0.00 60.65 59.57 1a3x s ILE 142 Cb -0.24 -1.95 -0.07 0.00 0.01 0.00 0.00 42.46 40.21 1a3x s ILE 142 CO 0.61 -0.41 1.03 -0.63 0.00 0.00 0.00 174.94 175.53 1a3x s ILE 143 N 1.36 3.99 0.05 2.92 1.01 -1.07 -4.27 121.20 125.19 1a3x s ILE 143 Ca 0.04 1.09 0.07 0.00 0.00 0.00 0.00 60.65 61.85 1a3x s ILE 143 Cb -0.18 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 1a3x s ILE 143 CO -0.13 -0.42 -0.20 -0.31 0.00 0.00 0.00 174.94 173.88 1a3x s TYR 144 N -2.27 1.78 -0.07 3.97 2.02 -0.87 -0.83 117.35 121.08 1a3x s TYR 144 Ca 0.64 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.99 1a3x s TYR 144 Cb -0.14 -1.06 0.01 0.00 -0.40 0.00 0.00 41.96 40.37 1a3x s TYR 144 CO 0.27 0.09 -0.13 0.08 -1.57 0.00 0.00 175.55 174.29 1a3x s VAL 145 N -0.82 1.21 -0.13 0.71 1.01 -0.51 -1.75 120.40 120.12 1a3x s VAL 145 Ca 0.07 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 1a3x s VAL 145 Cb -0.09 -1.10 0.03 0.00 0.00 0.00 0.00 36.38 35.22 1a3x s VAL 145 CO 0.02 0.37 0.16 -0.67 0.00 0.00 0.00 175.10 174.98 1a3x n ASP 146 N 3.77 -3.15 -4.13 3.32 2.03 -0.46 -2.09 116.55 115.84 1a3x n ASP 146 Ca -0.22 1.21 -0.35 0.00 0.52 0.00 0.00 54.79 55.95 1a3x n ASP 146 Cb 0.52 -4.00 -0.04 0.00 -0.72 0.00 0.00 41.12 36.87 1a3x n ASP 146 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1a3x n ASP 147 N 1.93 -2.67 -2.15 1.67 2.03 -1.26 -0.48 116.55 115.61 1a3x n ASP 147 Ca -0.26 -0.93 -0.12 0.00 0.52 0.00 0.00 54.79 54.00 1a3x n ASP 147 Cb 0.42 -2.24 -0.02 0.00 -0.72 0.00 0.00 41.12 38.57 1a3x n ASP 147 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1a3x n GLY 148 N -1.18 -0.08 0.21 0.27 0.00 -1.24 -4.81 105.19 98.38 1a3x n GLY 148 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.18 1a3x n GLY 148 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1a3x h VAL 149 N 0.00 0.70 -3.93 1.61 -1.51 -0.22 -3.44 116.25 109.46 1a3x h VAL 149 Ca -0.27 -1.18 -0.69 0.00 -1.23 0.00 0.00 66.70 63.34 1a3x h VAL 149 Cb 1.09 1.75 -0.22 0.00 -2.13 0.00 0.00 31.29 31.78 1a3x h VAL 149 CO 0.33 0.26 -0.85 -0.76 -1.23 0.00 0.00 177.57 175.32 1a3x s LEU 150 N -7.02 2.40 0.17 4.19 1.02 -1.01 -4.94 118.68 113.49 1a3x s LEU 150 Ca -0.00 -0.66 0.10 0.00 0.02 0.00 0.00 54.13 53.59 1a3x s LEU 150 Cb 0.11 -1.32 -0.04 0.00 0.02 0.00 0.00 46.19 44.96 1a3x s LEU 150 CO 0.65 0.20 -0.22 -0.44 0.02 0.00 0.00 176.35 176.55 1a3x s SER 151 N -1.92 3.10 -0.38 2.29 0.01 -1.26 -1.43 113.70 114.12 1a3x s SER 151 Ca 0.15 -0.83 0.03 0.00 1.31 0.00 0.00 55.95 56.61 1a3x s SER 151 Cb -0.10 -0.21 0.16 0.00 0.21 0.00 0.00 66.02 66.08 1a3x s SER 151 CO 0.06 0.08 0.37 -0.36 0.41 0.00 0.00 173.24 173.80 1a3x s PHE 152 N -1.64 -0.11 -0.14 2.43 0.08 -0.01 -1.14 117.98 117.45 1a3x s PHE 152 Ca 0.17 -1.05 -0.32 0.00 0.12 0.00 0.00 56.93 55.85 1a3x s PHE 152 Cb -0.08 -0.48 -0.09 0.00 -0.57 0.00 0.00 43.02 41.80 1a3x s PHE 152 CO 0.08 -0.95 2.06 0.94 -0.10 0.00 0.00 175.22 177.24 1a3x n GLN 153 N 4.04 2.09 -1.71 0.44 0.00 -0.75 -2.60 117.38 118.90 1a3x n GLN 153 Ca 0.13 0.69 -0.39 0.00 -0.00 0.00 0.00 57.00 57.44 1a3x n GLN 153 Cb 0.45 -2.88 -0.03 0.00 0.00 0.00 0.00 30.24 27.78 1a3x n GLN 153 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1a3x s VAL 154 N 5.97 3.12 -0.07 1.69 1.01 0.16 -2.76 120.40 129.53 1a3x s VAL 154 Ca 0.97 0.10 -0.25 0.00 0.00 0.00 0.00 61.98 62.79 1a3x s VAL 154 Cb -0.55 -3.25 -0.21 0.00 0.00 0.00 0.00 36.38 32.37 1a3x s VAL 154 CO 0.44 -0.22 0.99 -0.07 0.00 0.00 0.00 175.10 176.24 1a3x h LEU 155 N 17.30 -0.04 0.00 3.92 3.38 -1.44 0.38 115.31 138.80 1a3x h LEU 155 Ca -0.30 -0.62 -0.17 0.00 0.09 0.00 0.00 57.88 56.88 1a3x h LEU 155 Cb 1.23 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.95 1a3x h LEU 155 CO 1.11 0.64 -0.03 1.21 0.09 0.00 0.00 178.44 181.46 1a3x n GLU 156 N -4.79 0.66 -3.77 1.13 2.13 -0.63 -4.74 120.64 110.64 1a3x n GLU 156 Ca -0.09 -2.12 -0.30 0.00 0.66 0.00 0.00 57.16 55.32 1a3x n GLU 156 Cb 0.33 2.18 -0.14 0.00 0.27 0.00 0.00 31.44 34.08 1a3x n GLU 156 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1a3x s VAL 157 N -2.62 1.52 0.09 6.31 1.01 -1.26 -1.81 120.40 123.64 1a3x s VAL 157 Ca 0.20 -2.40 -0.25 0.00 0.00 0.00 0.00 61.98 59.53 1a3x s VAL 157 Cb -0.02 -2.08 -0.06 0.00 0.00 0.00 0.00 36.38 34.22 1a3x s VAL 157 CO 0.15 -0.81 0.78 -0.69 0.00 0.00 0.00 175.10 174.52 1a3x s VAL 158 N 0.57 4.59 0.00 2.92 1.01 -0.74 -4.84 120.40 123.92 1a3x s VAL 158 Ca 0.15 1.67 0.00 0.00 0.00 0.00 0.00 61.98 63.81 1a3x s VAL 158 Cb -0.23 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.02 1a3x s VAL 158 CO -0.05 0.42 0.00 0.47 0.00 0.00 0.00 175.10 175.94 1a3x n ASP 159 N 2.38 0.00 -0.68 3.32 9.92 -1.26 -1.37 116.55 128.86 1a3x n ASP 159 Ca -0.03 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.22 1a3x n ASP 159 Cb 0.50 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.97 1a3x n ASP 159 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1a3x n ASP 160 N 3.01 -0.03 0.00 -2.24 9.92 -1.26 -4.72 116.55 121.24 1a3x n ASP 160 Ca 0.00 -1.58 0.00 0.00 -0.53 0.00 0.00 54.79 52.68 1a3x n ASP 160 Cb 0.00 -0.06 0.00 0.00 -0.64 0.00 0.00 41.12 40.42 1a3x n ASP 160 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1a3x n LYS 161 N 0.06 0.00 -4.40 -1.24 4.81 -1.24 -4.84 118.16 111.30 1a3x n LYS 161 Ca -0.03 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.10 1a3x n LYS 161 Cb 0.67 -0.03 -0.10 0.00 0.02 0.00 0.00 35.03 35.58 1a3x n LYS 161 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1a3x s THR 162 N 0.00 3.49 -0.17 3.15 2.01 -0.47 -1.45 115.64 122.20 1a3x s THR 162 Ca 0.00 -0.98 -0.04 0.00 0.31 0.00 0.00 61.69 60.98 1a3x s THR 162 Cb 0.00 -2.55 0.08 0.00 0.01 0.00 0.00 72.50 70.03 1a3x s THR 162 CO 0.00 0.29 0.19 -0.76 -0.69 0.00 0.00 174.62 173.65 1a3x s LEU 163 N -1.71 -0.04 0.10 4.42 1.43 0.30 -1.79 118.68 121.40 1a3x s LEU 163 Ca 0.19 -0.13 -0.31 0.00 -1.03 0.00 0.00 54.13 52.85 1a3x s LEU 163 Cb -0.11 0.28 -0.07 0.00 0.03 0.00 0.00 46.19 46.32 1a3x s LEU 163 CO 0.10 -0.31 1.29 -0.75 0.23 0.00 0.00 176.35 176.91 1a3x s LYS 164 N 2.29 4.38 0.14 1.70 2.20 -0.75 -1.36 119.74 128.34 1a3x s LYS 164 Ca 0.05 1.93 -0.06 0.00 -0.36 0.00 0.00 55.97 57.54 1a3x s LYS 164 Cb -0.15 -3.29 -0.02 0.00 -1.51 0.00 0.00 37.83 32.87 1a3x s LYS 164 CO -0.10 -0.33 0.18 0.14 -0.36 0.00 0.00 175.35 174.88 1a3x s VAL 165 N 0.98 0.09 -0.03 4.02 -7.23 -1.03 -1.12 120.40 116.09 1a3x s VAL 165 Ca 0.61 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 1a3x s VAL 165 Cb -0.33 -1.83 0.03 0.00 0.56 0.00 0.00 36.38 34.80 1a3x s VAL 165 CO 0.30 -0.43 0.00 -0.75 -0.31 0.00 0.00 175.10 173.91 1a3x s LYS 166 N -3.98 0.29 -0.08 4.82 2.20 -1.11 0.66 119.74 122.53 1a3x s LYS 166 Ca 0.17 0.07 -0.29 0.00 -0.36 0.00 0.00 55.97 55.56 1a3x s LYS 166 Cb 0.05 -0.46 -0.06 0.00 -1.51 0.00 0.00 37.83 35.86 1a3x s LYS 166 CO -0.01 -0.13 1.76 0.00 -0.36 0.00 0.00 175.35 176.61 1a3x s ALA 167 N 0.96 3.47 -0.83 3.13 0.00 0.22 -1.80 121.76 126.90 1a3x s ALA 167 Ca -0.10 0.91 0.25 0.00 0.00 0.00 0.00 51.96 53.02 1a3x s ALA 167 Cb -0.13 -3.82 0.96 0.00 0.00 0.00 0.00 23.12 20.14 1a3x s ALA 167 CO -0.02 -1.66 1.78 1.28 0.00 0.00 0.00 175.76 177.14 1a3x n LEU 168 N 7.85 0.37 -3.94 0.00 4.77 -0.29 -4.22 117.00 121.54 1a3x n LEU 168 Ca 0.19 0.55 -0.09 0.00 -0.03 0.00 0.00 56.01 56.63 1a3x n LEU 168 Cb 0.43 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 41.02 1a3x n LEU 168 CO 0.64 -0.18 0.17 0.54 -1.33 0.00 0.00 177.39 177.24 1a3x s ASN 169 N -3.70 -0.11 0.00 -1.43 2.20 -1.26 -4.95 114.94 105.69 1a3x s ASN 169 Ca 0.10 -0.83 0.00 0.00 -0.94 0.00 0.00 52.86 51.19 1a3x s ASN 169 Cb 0.14 0.57 0.00 0.00 -2.00 0.00 0.00 41.25 39.96 1a3x s ASN 169 CO 0.49 -1.09 0.00 0.00 -2.94 0.00 0.00 177.10 173.56 1a3x n ALA 170 N -0.35 0.00 0.00 3.54 0.00 -1.19 -4.52 120.51 117.98 1a3x n ALA 170 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1a3x n ALA 170 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1a3x n ALA 170 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a3x n GLY 171 N 2.68 2.27 3.55 0.00 0.00 -1.21 -4.83 105.19 107.66 1a3x n GLY 171 Ca 0.00 -2.03 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 1a3x n GLY 171 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a3x s LYS 172 N -2.35 3.58 -0.18 1.61 -2.85 -1.26 -2.29 119.74 116.00 1a3x s LYS 172 Ca 0.00 -0.48 -0.29 0.00 -1.00 0.00 0.00 55.97 54.20 1a3x s LYS 172 Cb 0.00 -2.92 -0.01 0.00 -2.06 0.00 0.00 37.83 32.83 1a3x s LYS 172 CO 0.00 0.33 1.26 -1.50 0.10 0.00 0.00 175.35 175.54 1a3x s ILE 173 N 0.13 4.29 0.00 3.79 -1.16 0.29 -4.92 121.20 123.60 1a3x s ILE 173 Ca 0.00 1.55 0.00 0.00 -0.51 0.00 0.00 60.65 61.69 1a3x s ILE 173 Cb -0.13 -4.03 0.00 0.00 0.61 0.00 0.00 42.46 38.91 1a3x s ILE 173 CO 0.02 -0.17 0.00 0.00 -2.81 0.00 0.00 174.94 171.99 1a3x s SER 175 N -0.98 5.31 -0.10 0.00 1.04 -1.26 -4.65 113.70 113.05 1a3x s SER 175 Ca 0.00 -0.45 -0.09 0.00 0.48 0.00 0.00 55.95 55.89 1a3x s SER 175 Cb 0.00 -1.06 0.01 0.00 0.10 0.00 0.00 66.02 65.08 1a3x s SER 175 CO 0.00 -0.28 0.15 1.41 0.98 0.00 0.00 173.24 175.50 1a3x n HIS 176 N -1.32 -0.61 -4.00 5.02 8.25 -0.48 -4.97 115.22 117.11 1a3x n HIS 176 Ca -0.03 0.26 -0.09 0.00 -0.26 0.00 0.00 57.72 57.60 1a3x n HIS 176 Cb 0.59 -0.59 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 1a3x n HIS 176 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1a3x s LYS 177 N -0.76 0.38 0.16 -0.41 -0.14 -1.26 -4.89 119.74 112.82 1a3x s LYS 177 Ca 0.09 -0.74 -0.30 0.00 -1.36 0.00 0.00 55.97 53.66 1a3x s LYS 177 Cb -0.01 0.14 -0.08 0.00 -1.68 0.00 0.00 37.83 36.20 1a3x s LYS 177 CO 0.20 -0.07 1.27 0.20 -0.76 0.00 0.00 175.35 176.19 1a3x s GLY 178 N -1.78 2.43 -0.23 -3.33 0.00 -1.25 -1.79 107.32 101.37 1a3x s GLY 178 Ca -0.11 1.02 -0.10 0.00 0.00 0.00 0.00 44.72 45.53 1a3x s GLY 178 CO -0.03 2.05 0.15 0.14 0.00 0.00 0.00 173.10 175.40 1a3x s VAL 179 N 0.39 5.25 -0.14 1.40 1.01 0.54 -1.35 120.40 127.49 1a3x s VAL 179 Ca 0.57 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.65 1a3x s VAL 179 Cb -0.34 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1a3x s VAL 179 CO 0.35 0.36 -0.00 0.20 0.00 0.00 0.00 175.10 176.00 1a3x s ASN 180 N 1.02 5.11 -0.94 3.32 -0.87 -0.72 -4.20 114.94 117.66 1a3x s ASN 180 Ca 0.07 0.01 -0.03 0.00 -1.57 0.00 0.00 52.86 51.34 1a3x s ASN 180 Cb -0.13 -1.71 0.24 0.00 -0.02 0.00 0.00 41.25 39.62 1a3x s ASN 180 CO 0.04 0.24 0.88 0.18 -2.57 0.00 0.00 177.10 175.87 1a3x n LEU 181 N 3.06 4.53 -4.63 0.60 4.77 -1.26 -2.05 117.00 122.02 1a3x n LEU 181 Ca -0.18 -5.13 -0.43 0.00 -0.03 0.00 0.00 56.01 50.24 1a3x n LEU 181 Cb 0.53 -1.16 -0.03 0.00 -2.33 0.00 0.00 43.42 40.43 1a3x n LEU 181 CO 0.32 1.55 1.57 -2.84 -1.33 0.00 0.00 177.39 176.66 1a3x s PRO 182 N -1.49 3.67 0.00 3.23 0.02 -1.26 -2.84 135.00 136.32 1a3x s PRO 182 Ca 0.29 1.99 0.00 0.00 0.02 0.00 0.00 61.00 63.30 1a3x s PRO 182 Cb -0.06 -4.17 0.00 0.00 0.02 0.00 0.00 34.50 30.29 1a3x s PRO 182 CO -0.10 -1.47 0.00 0.41 -0.33 0.00 0.00 177.00 175.51 1a3x n GLY 183 N 4.98 0.73 2.77 0.52 0.00 -1.26 -4.60 105.19 108.32 1a3x n GLY 183 Ca 0.22 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 1a3x n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a3x s THR 184 N -2.41 0.44 -0.54 2.61 2.01 -1.13 -5.06 115.64 111.55 1a3x s THR 184 Ca 0.00 -0.06 -0.26 0.00 0.31 0.00 0.00 61.69 61.68 1a3x s THR 184 Cb 0.00 -0.68 -0.05 0.00 0.01 0.00 0.00 72.50 71.78 1a3x s THR 184 CO 0.00 0.15 2.18 -0.62 -0.69 0.00 0.00 174.62 175.64 1a3x s ASP 185 N 1.94 4.78 0.15 3.53 2.15 -1.26 -4.94 116.67 123.02 1a3x s ASP 185 Ca 0.04 0.77 -0.26 0.00 0.43 0.00 0.00 52.55 53.53 1a3x s ASP 185 Cb -0.13 -2.51 -0.08 0.00 -0.30 0.00 0.00 42.92 39.90 1a3x s ASP 185 CO -0.06 -2.67 0.79 0.68 -0.17 0.00 0.00 175.17 173.73 1a3x s VAL 186 N 10.90 4.41 -2.15 1.11 -7.23 -1.26 -4.83 120.40 121.35 1a3x s VAL 186 Ca 0.85 1.72 0.23 0.00 -1.81 0.00 0.00 61.98 62.97 1a3x s VAL 186 Cb -0.15 -4.15 0.54 0.00 0.56 0.00 0.00 36.38 33.18 1a3x s VAL 186 CO 0.24 0.50 1.47 -0.90 -0.31 0.00 0.00 175.10 176.09 1a3x n ASP 187 N 1.79 3.72 -4.77 4.85 5.68 -1.26 -4.97 116.55 121.59 1a3x n ASP 187 Ca -0.05 -1.99 -0.41 0.00 -0.50 0.00 0.00 54.79 51.84 1a3x n ASP 187 Cb 0.49 -0.38 -0.01 0.00 -1.14 0.00 0.00 41.12 40.08 1a3x n ASP 187 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1a3x s LEU 188 N -1.20 4.33 0.20 -2.12 1.43 -1.26 -4.87 118.68 115.19 1a3x s LEU 188 Ca 0.44 3.00 -0.30 0.00 -1.03 0.00 0.00 54.13 56.24 1a3x s LEU 188 Cb 0.24 -3.66 -0.09 0.00 0.03 0.00 0.00 46.19 42.71 1a3x s LEU 188 CO 0.32 -0.87 1.34 -2.16 0.23 0.00 0.00 176.35 175.21 1a3x s PRO 189 N -1.59 4.36 0.49 1.29 0.04 -1.26 -4.77 135.00 133.56 1a3x s PRO 189 Ca 0.56 2.10 0.28 0.00 0.04 0.00 0.00 61.00 63.98 1a3x s PRO 189 Cb -0.47 -3.18 1.36 0.00 0.04 0.00 0.00 34.50 32.25 1a3x s PRO 189 CO 0.58 -0.29 1.84 0.00 0.04 0.00 0.00 177.00 179.17 1a3x h ALA 190 N 5.37 2.68 -4.35 8.56 0.00 -1.89 -3.38 119.26 126.24 1a3x h ALA 190 Ca -0.45 -0.01 -0.70 0.00 0.00 0.00 0.00 54.91 53.76 1a3x h ALA 190 Cb 1.21 0.05 -0.27 0.00 0.00 0.00 0.00 17.79 18.78 1a3x h ALA 190 CO 0.78 -0.98 -0.85 -0.51 0.00 0.00 0.00 179.25 177.68 1a3x s LEU 191 N -8.87 2.29 0.55 0.00 1.43 -1.26 -4.13 118.68 108.68 1a3x s LEU 191 Ca -0.06 -0.42 0.05 0.00 -1.03 0.00 0.00 54.13 52.66 1a3x s LEU 191 Cb 0.23 -1.40 0.04 0.00 0.03 0.00 0.00 46.19 45.08 1a3x s LEU 191 CO 0.79 0.31 0.37 -0.44 0.23 0.00 0.00 176.35 177.60 1a3x s SER 192 N -0.84 4.57 0.29 2.29 0.01 -1.26 -4.97 113.70 113.79 1a3x s SER 192 Ca 0.11 -1.31 -0.03 0.00 1.31 0.00 0.00 55.95 56.04 1a3x s SER 192 Cb -0.10 0.47 0.41 0.00 0.21 0.00 0.00 66.02 67.01 1a3x s SER 192 CO 0.01 -1.10 1.96 -0.33 0.41 0.00 0.00 173.24 174.19 1a3x h GLU 193 N 0.79 1.13 -0.09 12.44 3.07 -2.00 -1.61 114.58 128.31 1a3x h GLU 193 Ca -0.37 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.36 58.32 1a3x h GLU 193 Cb 1.31 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 1a3x h GLU 193 CO 0.59 0.75 -0.33 -0.22 -1.40 0.00 0.00 179.01 178.39 1a3x h LYS 194 N 1.16 0.39 -0.88 2.33 3.64 -2.00 -3.18 116.57 118.03 1a3x h LYS 194 Ca 0.32 -0.29 0.14 0.00 -1.27 0.00 0.00 60.65 59.55 1a3x h LYS 194 Cb -0.12 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.68 1a3x h LYS 194 CO -0.07 0.92 0.57 -0.44 -2.27 0.00 0.00 179.45 178.16 1a3x h ASP 195 N -0.07 0.64 -0.40 4.20 3.32 -1.85 0.92 116.42 123.18 1a3x h ASP 195 Ca -0.02 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.08 1a3x h ASP 195 Cb 0.96 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.40 1a3x h ASP 195 CO 0.07 0.33 0.26 0.11 -1.72 0.00 0.00 179.24 178.29 1a3x h LYS 196 N 0.68 0.49 0.06 3.56 1.57 -1.28 -1.24 116.57 120.41 1a3x h LYS 196 Ca 0.44 -0.03 -0.25 0.00 -1.87 0.00 0.00 60.65 58.94 1a3x h LYS 196 Cb 0.72 -0.11 0.02 0.00 0.08 0.00 0.00 32.23 32.94 1a3x h LYS 196 CO -0.20 0.33 -1.00 0.93 -0.57 0.00 0.00 179.45 178.94 1a3x h GLU 197 N 0.51 0.58 -0.83 3.15 5.08 0.72 -2.42 114.58 121.37 1a3x h GLU 197 Ca 0.15 -0.70 -0.01 0.00 -1.00 0.00 0.00 59.36 57.80 1a3x h GLU 197 Cb -0.02 0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1a3x h GLU 197 CO -0.03 1.29 0.48 -0.44 -1.00 0.00 0.00 179.01 179.31 1a3x h ASP 198 N 0.17 1.01 0.88 1.42 3.32 -0.36 0.45 116.42 123.31 1a3x h ASP 198 Ca -0.14 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.79 1a3x h ASP 198 Cb 1.69 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 40.99 1a3x h ASP 198 CO 0.19 0.79 -0.42 -0.07 -1.72 0.00 0.00 179.24 178.02 1a3x h LEU 199 N 1.14 -1.00 -1.68 1.55 3.38 -1.30 0.12 115.31 117.53 1a3x h LEU 199 Ca 0.29 0.03 0.27 0.00 0.09 0.00 0.00 57.88 58.57 1a3x h LEU 199 Cb -0.01 0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 1a3x h LEU 199 CO -0.05 -0.65 0.69 0.03 0.09 0.00 0.00 178.44 178.55 1a3x h ARG 200 N -1.31 0.21 -0.28 1.13 3.08 -1.24 0.67 114.38 116.63 1a3x h ARG 200 Ca -0.12 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 59.74 1a3x h ARG 200 Cb 0.90 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1a3x h ARG 200 CO 0.20 0.14 -0.52 0.35 -1.07 0.00 0.00 179.97 179.07 1a3x h PHE 201 N 0.22 1.07 0.01 3.04 3.57 0.28 -2.63 116.94 122.49 1a3x h PHE 201 Ca 0.53 -0.38 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1a3x h PHE 201 Cb 1.66 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 40.20 1a3x h PHE 201 CO -0.00 1.20 -0.01 0.78 -2.23 0.00 0.00 178.31 178.05 1a3x h GLY 202 N 0.63 -0.02 -0.12 2.40 0.00 0.28 -1.19 103.07 105.06 1a3x h GLY 202 Ca 0.02 0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.40 1a3x h GLY 202 CO 0.12 -0.01 -0.47 -2.08 0.00 0.00 0.00 176.54 174.10 1a3x h VAL 203 N -0.42 0.08 -0.54 4.60 2.07 -0.17 0.18 116.25 122.05 1a3x h VAL 203 Ca -0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1a3x h VAL 203 Cb 0.41 0.08 -0.10 0.00 -1.52 0.00 0.00 31.29 30.16 1a3x h VAL 203 CO 0.00 0.00 -0.12 0.50 0.02 0.00 0.00 177.57 177.97 1a3x h LYS 204 N -0.48 0.01 -0.02 1.57 3.64 -1.50 0.20 116.57 119.98 1a3x h LYS 204 Ca 0.08 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1a3x h LYS 204 Cb 0.64 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1a3x h LYS 204 CO -0.46 0.01 0.00 0.09 -2.27 0.00 0.00 179.45 176.82 1a3x n ASN 205 N -5.37 0.02 -3.66 4.20 3.02 -0.11 -4.90 115.26 108.46 1a3x n ASN 205 Ca 0.06 -1.65 -0.24 0.00 -0.03 0.00 0.00 54.58 52.71 1a3x n ASN 205 Cb 0.29 -0.01 0.06 0.00 -0.61 0.00 0.00 39.78 39.51 1a3x n ASN 205 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a3x n GLY 206 N 0.32 -0.48 3.76 7.41 0.00 0.69 -4.99 105.19 111.90 1a3x n GLY 206 Ca 0.00 0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1a3x n GLY 206 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1a3x s VAL 207 N -3.36 4.63 0.13 1.61 -7.23 -0.92 -4.89 120.40 110.37 1a3x s VAL 207 Ca 0.44 1.62 0.13 0.00 -1.81 0.00 0.00 61.98 62.36 1a3x s VAL 207 Cb -0.21 -4.11 -0.00 0.00 0.56 0.00 0.00 36.38 32.63 1a3x s VAL 207 CO 0.76 0.42 1.55 0.45 -0.31 0.00 0.00 175.10 177.97 1a3x h HIS 208 N 5.21 0.00 -2.97 2.82 3.86 -1.74 -3.44 115.15 118.89 1a3x h HIS 208 Ca -0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 1a3x h HIS 208 Cb 1.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.68 1a3x h HIS 208 CO 0.65 0.61 0.00 -1.33 0.86 0.00 0.00 177.93 178.72 1a3x n MET 209 N -3.52 3.90 -3.65 2.45 2.81 -1.21 -1.62 117.12 116.28 1a3x n MET 209 Ca -0.00 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1a3x n MET 209 Cb 0.68 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 33.12 1a3x n MET 209 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1a3x s VAL 210 N 0.94 0.00 -0.70 2.03 1.01 -0.65 -3.97 120.40 119.05 1a3x s VAL 210 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1a3x s VAL 210 Cb 0.00 -1.00 0.17 0.00 0.00 0.00 0.00 36.38 35.55 1a3x s VAL 210 CO 0.00 0.00 0.51 -0.36 0.00 0.00 0.00 175.10 175.25 1a3x s PHE 211 N 0.88 3.55 -0.22 5.22 0.08 -0.19 -0.54 117.98 126.76 1a3x s PHE 211 Ca -0.05 -3.17 -0.28 0.00 0.12 0.00 0.00 56.93 53.55 1a3x s PHE 211 Cb -0.03 -2.91 -0.05 0.00 -0.57 0.00 0.00 43.02 39.46 1a3x s PHE 211 CO -0.12 -0.66 2.22 0.00 -0.10 0.00 0.00 175.22 176.56 1a3x s ALA 212 N -1.05 2.72 0.71 5.36 0.00 -1.18 -3.47 121.76 124.84 1a3x s ALA 212 Ca 0.23 0.77 -0.12 0.00 0.00 0.00 0.00 51.96 52.84 1a3x s ALA 212 Cb -0.11 -4.08 0.02 0.00 0.00 0.00 0.00 23.12 18.95 1a3x s ALA 212 CO -0.11 -2.81 1.08 -1.12 0.00 0.00 0.00 175.76 172.81 1a3x s SER 213 N 8.31 4.98 -1.49 0.00 0.01 -1.26 -2.23 113.70 122.03 1a3x s SER 213 Ca 1.00 1.81 -0.04 0.00 1.31 0.00 0.00 55.95 60.04 1a3x s SER 213 Cb -0.33 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.41 1a3x s SER 213 CO 0.35 -1.71 0.43 0.49 0.41 0.00 0.00 173.24 173.20 1a3x n PHE 214 N -3.02 -1.60 -2.58 2.43 3.72 -1.25 -4.70 117.46 110.45 1a3x n PHE 214 Ca 0.09 0.74 -0.41 0.00 -0.05 0.00 0.00 57.45 57.81 1a3x n PHE 214 Cb 0.53 -3.44 -0.04 0.00 -0.94 0.00 0.00 39.48 35.59 1a3x n PHE 214 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1a3x s ILE 215 N -3.89 4.16 -0.10 4.37 -1.09 -1.12 -4.74 121.20 118.79 1a3x s ILE 215 Ca 0.15 1.76 0.04 0.00 -2.23 0.00 0.00 60.65 60.36 1a3x s ILE 215 Cb -0.08 -4.12 -0.08 0.00 -1.58 0.00 0.00 42.46 36.59 1a3x s ILE 215 CO 0.91 0.25 -0.04 0.54 -1.23 0.00 0.00 174.94 175.37 1a3x n ARG 216 N 2.87 1.25 -4.09 2.79 1.74 -1.26 -3.98 116.66 115.98 1a3x n ARG 216 Ca 0.04 0.03 -0.10 0.00 -0.77 0.00 0.00 57.85 57.05 1a3x n ARG 216 Cb 0.47 -1.21 -0.08 0.00 -1.02 0.00 0.00 32.46 30.62 1a3x n ARG 216 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1a3x s THR 217 N -2.21 0.03 0.23 0.55 -4.23 -1.26 -4.05 115.64 104.70 1a3x s THR 217 Ca -0.10 -1.70 -0.07 0.00 -1.18 0.00 0.00 61.69 58.64 1a3x s THR 217 Cb 0.03 -2.20 0.18 0.00 1.34 0.00 0.00 72.50 71.85 1a3x s THR 217 CO 0.29 -0.14 1.74 0.00 -0.54 0.00 0.00 174.62 175.96 1a3x h ALA 218 N 2.55 0.91 -0.46 3.99 0.00 -1.91 -1.89 119.26 122.46 1a3x h ALA 218 Ca -0.32 0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.78 1a3x h ALA 218 Cb 1.24 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 1a3x h ALA 218 CO 0.49 -0.20 -0.16 -0.91 0.00 0.00 0.00 179.25 178.47 1a3x h ASN 219 N 0.43 -0.58 -1.03 0.00 4.21 -1.97 0.25 115.58 116.89 1a3x h ASN 219 Ca 0.36 0.15 0.33 0.00 1.21 0.00 0.00 56.30 58.35 1a3x h ASN 219 Cb 0.49 0.34 -0.15 0.00 -1.12 0.00 0.00 38.32 37.88 1a3x h ASN 219 CO -0.35 -0.20 0.60 0.44 -1.29 0.00 0.00 177.43 176.63 1a3x h ASP 220 N -0.06 0.49 0.03 5.81 3.32 -1.76 0.61 116.42 124.85 1a3x h ASP 220 Ca 0.22 0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.45 1a3x h ASP 220 Cb 0.40 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1a3x h ASP 220 CO -0.50 -0.14 -0.01 0.58 -1.72 0.00 0.00 179.24 177.45 1a3x h VAL 221 N 0.30 1.36 -0.97 -1.35 2.07 -0.57 -2.39 116.25 114.70 1a3x h VAL 221 Ca 0.74 -1.33 0.18 0.00 0.82 0.00 0.00 66.70 67.11 1a3x h VAL 221 Cb 1.76 2.24 -0.10 0.00 -1.52 0.00 0.00 31.29 33.66 1a3x h VAL 221 CO -0.58 0.33 0.58 -0.07 0.02 0.00 0.00 177.57 177.85 1a3x h LEU 222 N -0.63 0.74 -0.16 2.57 4.07 0.10 -0.24 115.31 121.76 1a3x h LEU 222 Ca -0.00 0.09 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 1a3x h LEU 222 Cb 0.58 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 1a3x h LEU 222 CO 0.01 0.28 0.06 0.74 -1.08 0.00 0.00 178.44 178.44 1a3x h THR 223 N 0.75 1.17 0.00 0.22 2.02 0.07 -2.38 112.91 114.75 1a3x h THR 223 Ca 0.55 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1a3x h THR 223 Cb 0.83 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1a3x h THR 223 CO -0.38 0.16 0.00 0.00 0.37 0.00 0.00 175.52 175.67 1a3x n ILE 224 N -4.85 0.62 0.05 3.11 3.06 -0.77 -1.08 119.36 119.49 1a3x n ILE 224 Ca -0.05 0.11 -0.20 0.00 -2.50 0.00 0.00 62.75 60.11 1a3x n ILE 224 Cb 0.13 -0.82 -0.14 0.00 0.54 0.00 0.00 39.64 39.35 1a3x n ILE 224 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 1a3x h ARG 225 N 0.00 0.35 0.07 9.51 9.65 -0.59 -2.90 114.38 130.48 1a3x h ARG 225 Ca 0.00 -0.54 -0.25 0.00 -1.10 0.00 0.00 59.98 58.09 1a3x h ARG 225 Cb 0.40 0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 29.16 1a3x h ARG 225 CO 0.00 1.23 -1.15 1.05 2.80 0.00 0.00 179.97 183.90 1a3x h GLU 226 N -0.26 0.15 -0.58 0.20 4.11 -1.23 -3.09 114.58 113.89 1a3x h GLU 226 Ca -0.14 -0.26 -0.03 0.00 0.07 0.00 0.00 59.36 59.00 1a3x h GLU 226 Cb 1.62 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.94 1a3x h GLU 226 CO 0.16 1.12 0.24 0.28 0.07 0.00 0.00 179.01 180.88 1a3x h VAL 227 N 0.04 1.21 -0.83 -1.06 2.07 -1.23 0.34 116.25 116.78 1a3x h VAL 227 Ca -0.09 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 66.84 1a3x h VAL 227 Cb 1.89 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 32.11 1a3x h VAL 227 CO 0.17 0.25 0.54 -0.07 0.02 0.00 0.00 177.57 178.48 1a3x h LEU 228 N 0.83 0.90 0.00 2.57 -0.00 -1.49 -3.45 115.31 114.67 1a3x h LEU 228 Ca 0.20 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 1a3x h LEU 228 Cb 0.15 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 1a3x h LEU 228 CO -0.02 0.62 0.00 0.61 -0.00 0.00 0.00 178.44 179.65 1a3x n GLY 229 N -1.33 -0.73 0.36 0.83 0.00 0.11 -3.74 105.19 100.69 1a3x n GLY 229 Ca 0.10 -1.72 0.01 0.00 0.00 0.00 0.00 46.02 44.41 1a3x n GLY 229 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a3x h GLU 230 N 0.00 1.12 0.00 1.61 3.07 -1.89 -0.62 114.58 117.86 1a3x h GLU 230 Ca 0.00 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1a3x h GLU 230 Cb 0.00 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 27.66 1a3x h GLU 230 CO 0.00 0.74 0.00 1.96 -1.40 0.00 0.00 179.01 180.31 1a3x h GLN 231 N 1.15 0.00 -0.19 2.33 7.50 -1.99 -2.91 115.11 121.00 1a3x h GLN 231 Ca 0.40 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.52 1a3x h GLN 231 Cb 0.10 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.61 1a3x h GLN 231 CO -0.15 0.00 -0.04 0.41 -1.50 0.00 0.00 178.83 177.54 1a3x n GLY 232 N -0.10 4.52 0.30 3.46 0.00 -0.27 -4.65 105.19 108.45 1a3x n GLY 232 Ca 0.02 -1.12 -0.07 0.00 0.00 0.00 0.00 46.02 44.84 1a3x n GLY 232 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a3x h LYS 233 N 1.09 0.96 0.00 1.61 1.79 -1.27 -2.70 116.57 118.05 1a3x h LYS 233 Ca 0.05 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 1a3x h LYS 233 Cb 1.34 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 1a3x h LYS 233 CO 0.18 0.93 0.00 -0.40 -1.08 0.00 0.00 179.45 179.08 1a3x n ASP 234 N -4.20 0.00 -4.88 0.86 5.68 -1.26 -4.81 116.55 107.95 1a3x n ASP 234 Ca 0.03 -0.92 -0.32 0.00 -0.50 0.00 0.00 54.79 53.08 1a3x n ASP 234 Cb 0.31 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.24 1a3x n ASP 234 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1a3x s VAL 235 N -2.00 5.22 0.05 2.12 -7.23 -1.02 -5.00 120.40 112.53 1a3x s VAL 235 Ca 0.31 -0.32 -0.20 0.00 -1.81 0.00 0.00 61.98 59.95 1a3x s VAL 235 Cb 0.14 -3.47 -0.06 0.00 0.56 0.00 0.00 36.38 33.55 1a3x s VAL 235 CO 0.24 0.26 0.60 -0.54 -0.31 0.00 0.00 175.10 175.35 1a3x s LYS 236 N -2.11 4.29 -0.44 4.82 -0.14 -0.64 -4.98 119.74 120.54 1a3x s LYS 236 Ca 0.29 0.78 -0.14 0.00 -1.36 0.00 0.00 55.97 55.54 1a3x s LYS 236 Cb -0.13 -3.29 0.06 0.00 -1.68 0.00 0.00 37.83 32.79 1a3x s LYS 236 CO 0.21 0.51 0.33 0.42 -0.76 0.00 0.00 175.35 176.06 1a3x s ILE 237 N -0.68 4.98 -0.78 2.17 1.01 -1.26 -1.64 121.20 125.01 1a3x s ILE 237 Ca 0.31 -1.03 -0.12 0.00 0.00 0.00 0.00 60.65 59.81 1a3x s ILE 237 Cb -0.19 -3.93 0.20 0.00 0.01 0.00 0.00 42.46 38.55 1a3x s ILE 237 CO 0.19 -0.48 0.69 -0.63 0.00 0.00 0.00 174.94 174.71 1a3x s ILE 238 N 1.60 5.19 0.26 2.92 -1.09 0.30 -2.44 121.20 127.94 1a3x s ILE 238 Ca 0.04 -2.55 -0.29 0.00 -2.23 0.00 0.00 60.65 55.61 1a3x s ILE 238 Cb -0.23 -4.24 -0.14 0.00 -1.58 0.00 0.00 42.46 36.27 1a3x s ILE 238 CO 0.06 -0.99 1.11 0.52 -1.23 0.00 0.00 174.94 174.41 1a3x n VAL 239 N 3.90 1.61 -3.86 2.92 0.31 -1.20 -3.11 118.33 118.91 1a3x n VAL 239 Ca 0.12 -0.40 -0.36 0.00 -0.01 0.00 0.00 64.34 63.68 1a3x n VAL 239 Cb 0.45 -1.06 -0.13 0.00 -0.91 0.00 0.00 33.84 32.19 1a3x n VAL 239 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1a3x s LYS 240 N -1.16 2.87 -0.47 5.55 1.02 -0.95 0.14 119.74 126.74 1a3x s LYS 240 Ca 0.63 -0.98 -0.20 0.00 0.02 0.00 0.00 55.97 55.44 1a3x s LYS 240 Cb -0.72 -3.20 0.04 0.00 -0.52 0.00 0.00 37.83 33.42 1a3x s LYS 240 CO 0.57 -0.46 0.63 0.42 -0.92 0.00 0.00 175.35 175.59 1a3x s ILE 241 N 1.39 4.85 -0.01 2.17 -1.09 -0.51 -2.81 121.20 125.19 1a3x s ILE 241 Ca 0.00 -0.14 0.01 0.00 -2.23 0.00 0.00 60.65 58.29 1a3x s ILE 241 Cb -0.17 -4.24 0.01 0.00 -1.58 0.00 0.00 42.46 36.48 1a3x s ILE 241 CO -0.01 -0.68 0.86 -1.84 -1.23 0.00 0.00 174.94 172.05 1a3x n GLU 242 N 6.22 0.12 -4.00 2.79 0.28 -1.26 -2.25 120.64 122.54 1a3x n GLU 242 Ca -0.04 -0.94 -0.11 0.00 -0.16 0.00 0.00 57.16 55.92 1a3x n GLU 242 Cb 0.47 -0.56 -0.04 0.00 1.43 0.00 0.00 31.44 32.74 1a3x n GLU 242 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1a3x s ASN 243 N -0.80 0.20 0.17 -1.84 4.22 -1.26 -2.67 114.94 112.96 1a3x s ASN 243 Ca 0.01 -1.11 -0.08 0.00 -2.14 0.00 0.00 52.86 49.55 1a3x s ASN 243 Cb 0.01 0.64 0.05 0.00 1.28 0.00 0.00 41.25 43.24 1a3x s ASN 243 CO 0.00 -1.25 1.53 -0.61 -2.04 0.00 0.00 177.10 174.73 1a3x h GLN 244 N 2.18 0.85 -0.25 3.55 5.75 -1.95 -2.63 115.11 122.61 1a3x h GLN 244 Ca -0.27 -0.42 0.03 0.00 -0.15 0.00 0.00 58.65 57.84 1a3x h GLN 244 Cb 1.25 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.78 1a3x h GLN 244 CO 0.37 1.06 0.17 0.37 -2.65 0.00 0.00 178.83 178.15 1a3x h GLN 245 N 0.71 0.21 0.00 1.69 4.15 -1.91 0.42 115.11 120.38 1a3x h GLN 245 Ca 0.07 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1a3x h GLN 245 Cb 0.90 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.55 1a3x h GLN 245 CO 0.08 0.14 -0.19 0.78 -1.93 0.00 0.00 178.83 177.71 1a3x h GLY 246 N 0.22 0.00 0.02 2.39 0.00 -1.60 -3.33 103.07 100.76 1a3x h GLY 246 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 47.01 1a3x h GLY 246 CO -0.02 0.00 -2.38 1.55 0.00 0.00 0.00 176.54 175.69 1a3x n VAL 247 N -2.35 1.53 0.37 4.60 3.14 -0.32 -2.57 118.33 122.73 1a3x n VAL 247 Ca 0.05 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 61.04 1a3x n VAL 247 Cb 0.45 -1.82 0.00 0.00 -1.06 0.00 0.00 33.84 31.41 1a3x n VAL 247 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1a3x n ASN 248 N -4.08 1.13 0.00 6.55 4.13 0.13 -1.65 115.26 121.47 1a3x n ASN 248 Ca -0.50 -0.75 0.00 0.00 1.68 0.00 0.00 54.58 55.00 1a3x n ASN 248 Cb 0.89 -0.19 0.00 0.00 -1.54 0.00 0.00 39.78 38.94 1a3x n ASN 248 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1a3x n ASN 249 N 0.82 0.00 -0.25 6.41 3.02 -1.25 -4.97 115.26 119.04 1a3x n ASN 249 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.63 1a3x n ASN 249 Cb 0.19 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.53 1a3x n ASN 249 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1a3x n PHE 250 N 0.00 0.38 -0.16 3.10 7.35 -0.66 -1.18 117.46 126.30 1a3x n PHE 250 Ca 0.00 0.85 -0.03 0.00 -0.76 0.00 0.00 57.45 57.51 1a3x n PHE 250 Cb 0.00 -0.99 0.06 0.00 0.35 0.00 0.00 39.48 38.91 1a3x n PHE 250 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1a3x h ASP 251 N 0.00 0.17 0.94 -2.13 3.32 -1.90 1.01 116.42 117.83 1a3x h ASP 251 Ca 0.40 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.43 1a3x h ASP 251 Cb 0.76 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 1a3x h ASP 251 CO -0.68 0.12 -0.39 -0.08 -1.72 0.00 0.00 179.24 176.49 1a3x h GLU 252 N 0.35 0.00 0.01 3.56 4.57 -1.56 -3.10 114.58 118.40 1a3x h GLU 252 Ca 0.24 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.23 1a3x h GLU 252 Cb 0.26 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1a3x h GLU 252 CO -0.25 0.39 -0.75 0.82 -1.18 0.00 0.00 179.01 178.04 1a3x h ILE 253 N 0.00 1.38 -0.92 2.32 2.04 -0.96 -3.22 117.51 118.15 1a3x h ILE 253 Ca -0.00 -2.15 0.16 0.00 1.00 0.00 0.00 64.86 63.87 1a3x h ILE 253 Cb 0.97 2.55 -0.08 0.00 -0.74 0.00 0.00 36.82 39.53 1a3x h ILE 253 CO 0.05 0.64 0.59 0.25 0.00 0.00 0.00 178.15 179.68 1a3x h LEU 254 N 0.04 0.63 0.00 1.44 6.46 0.10 -2.86 115.31 121.13 1a3x h LEU 254 Ca -0.10 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1a3x h LEU 254 Cb 1.45 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.31 1a3x h LEU 254 CO 0.15 0.29 0.00 0.29 -0.62 0.00 0.00 178.44 178.55 1a3x n LYS 255 N -4.59 0.00 0.27 1.25 4.76 -1.18 -3.28 118.16 115.39 1a3x n LYS 255 Ca 0.19 0.65 0.16 0.00 -2.87 0.00 0.00 58.31 56.43 1a3x n LYS 255 Cb 0.54 -1.25 0.67 0.00 -1.84 0.00 0.00 35.03 33.15 1a3x n LYS 255 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 1a3x h VAL 256 N 0.00 0.17 -4.36 -0.18 -1.51 -1.69 -3.46 116.25 105.21 1a3x h VAL 256 Ca 0.00 -0.62 -0.47 0.00 -1.23 0.00 0.00 66.70 64.38 1a3x h VAL 256 Cb 0.00 1.52 0.11 0.00 -2.13 0.00 0.00 31.29 30.80 1a3x h VAL 256 CO 0.00 0.06 0.35 0.28 -1.23 0.00 0.00 177.57 177.03 1a3x s THR 257 N -3.74 2.50 -0.17 7.19 -1.32 -1.09 -5.00 115.64 114.01 1a3x s THR 257 Ca 0.00 0.16 -0.12 0.00 -1.21 0.00 0.00 61.69 60.53 1a3x s THR 257 Cb 0.10 -2.99 -0.22 0.00 -1.51 0.00 0.00 72.50 67.87 1a3x s THR 257 CO 0.56 -0.21 0.23 0.47 -2.21 0.00 0.00 174.62 173.46 1a3x n ASP 258 N -3.48 2.02 -0.69 8.08 9.92 -1.18 -5.00 116.55 126.21 1a3x n ASP 258 Ca 0.07 0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 1a3x n ASP 258 Cb 0.58 -0.87 0.00 0.00 -0.64 0.00 0.00 41.12 40.20 1a3x n ASP 258 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a3x n GLY 259 N 1.78 4.10 3.63 0.44 0.00 -1.02 -3.78 105.19 110.34 1a3x n GLY 259 Ca -0.34 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.06 1a3x n GLY 259 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a3x s VAL 260 N -1.87 0.00 -0.06 1.61 0.11 -0.64 -3.22 120.40 116.33 1a3x s VAL 260 Ca 0.00 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 1a3x s VAL 260 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1a3x s VAL 260 CO 0.00 0.00 -0.16 -0.32 -3.33 0.00 0.00 175.10 171.29 1a3x s MET 261 N 0.48 1.91 -1.06 1.54 0.00 0.36 -1.39 119.30 121.14 1a3x s MET 261 Ca -0.00 -0.55 -0.22 0.00 0.00 0.00 0.00 55.69 54.91 1a3x s MET 261 Cb -0.05 -1.57 0.04 0.00 0.00 0.00 0.00 34.83 33.25 1a3x s MET 261 CO -0.02 0.13 1.55 0.08 0.00 0.00 0.00 175.02 176.76 1a3x s VAL 262 N 0.38 3.90 -0.95 10.11 1.01 -0.16 -1.43 120.40 133.26 1a3x s VAL 262 Ca -0.11 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 60.72 1a3x s VAL 262 Cb -0.14 -4.97 -0.16 0.00 0.00 0.00 0.00 36.38 31.11 1a3x s VAL 262 CO 0.04 -1.84 1.93 0.00 0.00 0.00 0.00 175.10 175.22 1a3x n ALA 263 N 9.39 1.88 -0.07 5.51 0.00 -0.96 -3.34 120.51 132.93 1a3x n ALA 263 Ca 0.36 -2.95 -0.09 0.00 0.00 0.00 0.00 53.44 50.76 1a3x n ALA 263 Cb 0.50 -3.53 -0.03 0.00 0.00 0.00 0.00 19.45 16.39 1a3x n ALA 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a3x h ARG 264 N 9.53 -0.30 0.00 0.00 3.08 -1.79 -2.98 114.38 121.93 1a3x h ARG 264 Ca 0.25 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1a3x h ARG 264 Cb 0.85 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.97 1a3x h ARG 264 CO 1.46 -0.20 0.00 0.41 -1.07 0.00 0.00 179.97 180.58 1a3x n GLY 265 N -1.41 -0.35 0.22 0.04 0.00 -1.26 0.35 105.19 102.77 1a3x n GLY 265 Ca -0.01 0.08 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 1a3x n GLY 265 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a3x h ASP 266 N 0.00 0.52 -0.95 1.61 5.19 -1.86 -2.25 116.42 118.68 1a3x h ASP 266 Ca 0.00 0.01 0.29 0.00 -0.62 0.00 0.00 57.03 56.71 1a3x h ASP 266 Cb 0.00 -0.10 -0.16 0.00 0.18 0.00 0.00 39.33 39.24 1a3x h ASP 266 CO 0.00 0.37 0.26 0.25 -3.12 0.00 0.00 179.24 176.99 1a3x h LEU 267 N 0.65 -0.05 -1.30 1.55 5.85 -1.17 2.93 115.31 123.75 1a3x h LEU 267 Ca 0.23 0.24 -0.02 0.00 0.84 0.00 0.00 57.88 59.17 1a3x h LEU 267 Cb 0.04 0.33 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1a3x h LEU 267 CO -0.11 -0.28 -0.08 1.23 -0.34 0.00 0.00 178.44 178.86 1a3x h GLY 268 N 0.10 0.00 0.31 3.75 0.00 0.51 -1.41 103.07 106.33 1a3x h GLY 268 Ca 0.65 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.68 1a3x h GLY 268 CO -0.77 0.00 -1.64 1.39 0.00 0.00 0.00 176.54 175.52 1a3x n ILE 269 N -3.21 1.66 0.10 2.60 2.08 0.77 -4.01 119.36 119.36 1a3x n ILE 269 Ca 0.00 -0.35 -0.11 0.00 0.56 0.00 0.00 62.75 62.86 1a3x n ILE 269 Cb 0.35 -1.89 -0.07 0.00 -0.75 0.00 0.00 39.64 37.29 1a3x n ILE 269 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1a3x h GLU 270 N -0.46 -0.51 -6.16 0.38 4.57 0.42 -3.44 114.58 109.38 1a3x h GLU 270 Ca -0.39 0.03 -0.50 0.00 -1.18 0.00 0.00 59.36 57.33 1a3x h GLU 270 Cb 1.68 0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 30.35 1a3x h GLU 270 CO -0.06 -0.34 -0.39 0.96 -1.18 0.00 0.00 179.01 178.00 1a3x s ILE 271 N -4.83 2.69 0.33 2.32 -4.36 -0.54 -4.45 121.20 112.35 1a3x s ILE 271 Ca -0.11 -1.37 -0.26 0.00 -0.26 0.00 0.00 60.65 58.65 1a3x s ILE 271 Cb 0.04 -3.01 -0.13 0.00 1.25 0.00 0.00 42.46 40.60 1a3x s ILE 271 CO 0.40 -0.01 0.90 -2.65 0.24 0.00 0.00 174.94 173.81 1a3x n PRO 272 N -1.52 1.12 0.09 0.37 -0.02 -1.26 -4.53 135.00 129.25 1a3x n PRO 272 Ca 0.03 0.40 -0.13 0.00 -2.02 0.00 0.00 63.50 61.78 1a3x n PRO 272 Cb 0.62 -1.76 -0.08 0.00 -0.02 0.00 0.00 33.50 32.26 1a3x n PRO 272 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a3x h ALA 273 N 1.63 -0.15 -0.60 3.55 0.00 -1.91 -2.92 119.26 118.85 1a3x h ALA 273 Ca -0.40 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.47 1a3x h ALA 273 Cb 1.36 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 1a3x h ALA 273 CO 0.58 -0.56 0.40 -1.00 0.00 0.00 0.00 179.25 178.67 1a3x h PRO 274 N -0.21 0.76 -0.98 0.00 0.13 -1.93 -2.62 132.00 127.15 1a3x h PRO 274 Ca -0.02 -0.05 0.19 0.00 -0.87 0.00 0.00 66.00 65.26 1a3x h PRO 274 Cb 0.17 -0.17 -0.09 0.00 0.13 0.00 0.00 31.00 31.03 1a3x h PRO 274 CO 0.03 0.50 0.61 0.93 -0.23 0.00 0.00 178.00 179.84 1a3x h GLU 275 N 0.78 0.63 -0.63 0.86 5.08 -1.88 -2.64 114.58 116.78 1a3x h GLU 275 Ca 0.23 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.65 1a3x h GLU 275 Cb -0.04 -0.14 -0.11 0.00 0.50 0.00 0.00 28.75 28.96 1a3x h GLU 275 CO -0.05 0.41 -0.39 0.28 -1.00 0.00 0.00 179.01 178.26 1a3x h VAL 276 N 0.64 0.11 -0.62 3.13 2.07 -1.50 -0.46 116.25 119.63 1a3x h VAL 276 Ca 0.54 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.16 1a3x h VAL 276 Cb 1.00 0.11 -0.10 0.00 -1.52 0.00 0.00 31.29 30.77 1a3x h VAL 276 CO -0.30 0.00 -0.22 -0.11 0.02 0.00 0.00 177.57 176.96 1a3x n LEU 277 N -5.42 -0.36 0.11 2.57 7.94 -0.99 0.13 117.00 120.97 1a3x n LEU 277 Ca 0.03 1.07 -0.23 0.00 -1.11 0.00 0.00 56.01 55.77 1a3x n LEU 277 Cb 0.35 -0.26 -0.15 0.00 0.53 0.00 0.00 43.42 43.89 1a3x n LEU 277 CO -0.02 -0.98 -0.22 0.00 -1.11 0.00 0.00 177.39 175.06 1a3x h ALA 278 N 0.94 -0.09 0.00 1.96 0.00 -1.57 -3.21 119.26 117.29 1a3x h ALA 278 Ca 0.23 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1a3x h ALA 278 Cb 0.39 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1a3x h ALA 278 CO -0.62 0.66 0.00 0.28 0.00 0.00 0.00 179.25 179.58 1a3x n VAL 279 N -3.81 0.39 -0.05 0.00 0.31 0.22 -1.55 118.33 113.85 1a3x n VAL 279 Ca -0.18 0.10 -0.04 0.00 -0.01 0.00 0.00 64.34 64.21 1a3x n VAL 279 Cb 1.02 -0.95 -0.01 0.00 -0.91 0.00 0.00 33.84 32.99 1a3x n VAL 279 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1a3x n GLN 280 N -1.14 0.29 0.06 5.55 7.27 0.34 -4.04 117.38 125.71 1a3x n GLN 280 Ca 0.06 0.30 0.18 0.00 0.07 0.00 0.00 57.00 57.60 1a3x n GLN 280 Cb 0.05 -1.20 0.68 0.00 2.41 0.00 0.00 30.24 32.18 1a3x n GLN 280 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1a3x h LYS 281 N -0.59 0.00 -0.27 3.69 1.57 -1.53 -1.55 116.57 117.88 1a3x h LYS 281 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1a3x h LYS 281 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1a3x h LYS 281 CO 0.00 0.00 -0.13 -0.22 -0.57 0.00 0.00 179.45 178.53 1a3x h LYS 282 N 0.00 0.57 -0.04 3.15 3.64 -1.50 -1.25 116.57 121.14 1a3x h LYS 282 Ca 0.19 -0.25 -0.15 0.00 -1.27 0.00 0.00 60.65 59.18 1a3x h LYS 282 Cb 0.79 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 1a3x h LYS 282 CO -0.00 0.81 -0.64 -0.07 -2.27 0.00 0.00 179.45 177.28 1a3x h LEU 283 N 0.30 0.20 -0.17 5.20 4.07 -1.45 -0.77 115.31 122.70 1a3x h LEU 283 Ca 0.06 -0.12 -0.12 0.00 0.08 0.00 0.00 57.88 57.78 1a3x h LEU 283 Cb 0.65 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.33 1a3x h LEU 283 CO 0.04 0.79 -0.35 0.40 -1.08 0.00 0.00 178.44 178.24 1a3x h ILE 284 N 0.12 1.35 -0.20 1.22 2.04 -1.36 0.21 117.51 120.89 1a3x h ILE 284 Ca -0.01 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.25 1a3x h ILE 284 Cb 1.16 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 1a3x h ILE 284 CO 0.10 0.49 0.13 0.00 0.00 0.00 0.00 178.15 178.86 1a3x h ALA 285 N 0.57 0.26 -0.52 1.87 0.00 -1.16 0.29 119.26 120.57 1a3x h ALA 285 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1a3x h ALA 285 Cb 0.95 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1a3x h ALA 285 CO 0.08 -0.25 0.30 0.87 0.00 0.00 0.00 179.25 180.24 1a3x h LYS 286 N 0.26 0.70 0.12 0.00 1.57 -1.11 -1.30 116.57 116.80 1a3x h LYS 286 Ca 0.07 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1a3x h LYS 286 Cb -0.01 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1a3x h LYS 286 CO -0.01 0.50 -0.06 0.77 -0.57 0.00 0.00 179.45 180.08 1a3x h SER 287 N 0.71 -0.13 -0.63 0.86 0.02 -0.17 -2.23 113.55 111.97 1a3x h SER 287 Ca 0.19 -0.29 0.13 0.00 -0.84 0.00 0.00 61.79 60.97 1a3x h SER 287 Cb -0.01 0.03 -0.11 0.00 0.14 0.00 0.00 62.40 62.46 1a3x h SER 287 CO -0.03 0.24 -0.05 0.78 -1.14 0.00 0.00 176.83 176.62 1a3x h ASN 288 N -0.52 -0.38 0.28 3.07 -0.26 0.13 0.27 115.58 118.16 1a3x h ASN 288 Ca -0.02 0.17 -0.01 0.00 -0.56 0.00 0.00 56.30 55.89 1a3x h ASN 288 Cb 0.42 0.32 -0.01 0.00 -1.06 0.00 0.00 38.32 37.99 1a3x h ASN 288 CO 0.03 -0.15 -0.20 0.25 -1.06 0.00 0.00 177.43 176.29 1a3x h LEU 289 N 0.07 -0.52 -2.76 1.61 5.85 -1.22 0.29 115.31 118.63 1a3x h LEU 289 Ca 0.32 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.08 1a3x h LEU 289 Cb 0.52 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 1a3x h LEU 289 CO -0.58 -0.32 0.08 0.00 -0.34 0.00 0.00 178.44 177.28 1a3x h ALA 290 N 0.19 1.08 0.00 1.25 0.00 -0.55 -3.45 119.26 117.78 1a3x h ALA 290 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1a3x h ALA 290 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1a3x h ALA 290 CO 0.00 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.58 1a3x n GLY 291 N -1.11 1.40 3.77 0.00 0.00 0.82 -5.04 105.19 105.03 1a3x n GLY 291 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1a3x n GLY 291 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a3x s LYS 292 N -0.26 4.66 0.01 1.61 1.02 -1.13 -4.78 119.74 120.88 1a3x s LYS 292 Ca 0.00 1.29 -0.30 0.00 0.02 0.00 0.00 55.97 56.98 1a3x s LYS 292 Cb 0.00 -3.16 -0.08 0.00 -0.52 0.00 0.00 37.83 34.08 1a3x s LYS 292 CO 0.00 0.49 1.84 -1.25 -0.92 0.00 0.00 175.35 175.51 1a3x s PRO 293 N -1.39 4.16 0.10 -1.68 0.04 -1.25 -4.38 135.00 130.60 1a3x s PRO 293 Ca 0.41 2.45 0.05 0.00 0.04 0.00 0.00 61.00 63.95 1a3x s PRO 293 Cb -0.23 -4.06 -0.04 0.00 0.04 0.00 0.00 34.50 30.21 1a3x s PRO 293 CO 0.28 -0.90 0.03 0.54 0.04 0.00 0.00 177.00 176.98 1a3x s VAL 294 N 4.17 4.14 -0.05 -0.36 0.11 -1.26 -1.62 120.40 125.54 1a3x s VAL 294 Ca 0.82 -0.99 0.02 0.00 -2.93 0.00 0.00 61.98 58.90 1a3x s VAL 294 Cb -0.39 -3.00 0.02 0.00 -1.53 0.00 0.00 36.38 31.48 1a3x s VAL 294 CO 0.37 0.08 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.52 1a3x s ILE 295 N -1.39 0.72 -0.04 7.04 1.01 -0.49 -1.06 121.20 126.98 1a3x s ILE 295 Ca 0.27 -0.25 -0.13 0.00 0.00 0.00 0.00 60.65 60.54 1a3x s ILE 295 Cb -0.11 -0.70 -0.05 0.00 0.01 0.00 0.00 42.46 41.60 1a3x s ILE 295 CO 0.20 0.26 0.34 0.00 0.00 0.00 0.00 174.94 175.74 1a3x s ALA 297 N -0.87 -0.91 0.00 0.00 0.00 -1.21 -1.76 121.76 117.00 1a3x s ALA 297 Ca 0.21 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1a3x s ALA 297 Cb -0.15 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1a3x s ALA 297 CO 0.10 -0.34 0.00 2.41 0.00 0.00 0.00 175.76 177.94 1a3x n THR 298 N 0.96 -0.89 -2.35 0.00 -1.04 -1.26 -3.23 114.28 106.47 1a3x n THR 298 Ca -0.20 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.61 1a3x n THR 298 Cb 0.57 -0.89 -0.02 0.00 -1.82 0.00 0.00 70.33 68.18 1a3x n THR 298 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a3x n GLN 299 N 0.94 -1.72 0.03 -2.82 6.02 -1.26 -4.82 117.38 113.75 1a3x n GLN 299 Ca 0.00 0.99 -0.14 0.00 -0.01 0.00 0.00 57.00 57.84 1a3x n GLN 299 Cb 0.00 -5.63 -0.03 0.00 1.02 0.00 0.00 30.24 25.59 1a3x n GLN 299 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1a3x h MET 300 N 0.00 0.55 -0.57 -1.09 2.86 -1.91 -3.32 114.93 111.45 1a3x h MET 300 Ca -0.47 -0.50 -0.30 0.00 -2.06 0.00 0.00 59.70 56.37 1a3x h MET 300 Cb 1.35 0.12 -0.40 0.00 0.06 0.00 0.00 31.60 32.73 1a3x h MET 300 CO 0.57 1.13 -1.09 1.28 1.06 0.00 0.00 176.91 179.86 1a3x n LEU 301 N -3.84 1.98 -0.26 1.22 4.77 -1.26 -4.33 117.00 115.28 1a3x n LEU 301 Ca -0.07 -3.35 -0.05 0.00 -0.03 0.00 0.00 56.01 52.51 1a3x n LEU 301 Cb 0.78 0.36 0.01 0.00 -2.33 0.00 0.00 43.42 42.23 1a3x n LEU 301 CO 0.51 1.25 0.60 -0.08 -1.33 0.00 0.00 177.39 178.34 1a3x h GLU 302 N 2.62 -0.12 -0.13 3.23 4.57 -1.95 0.43 114.58 123.23 1a3x h GLU 302 Ca -0.07 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1a3x h GLU 302 Cb 1.28 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.89 1a3x h GLU 302 CO 0.30 -0.08 0.12 0.66 -1.18 0.00 0.00 179.01 178.83 1a3x h SER 303 N -0.12 0.00 0.00 1.04 4.64 -1.92 -1.73 113.55 115.45 1a3x h SER 303 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1a3x h SER 303 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1a3x h SER 303 CO -0.77 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.42 1a3x n MET 304 N -4.08 0.47 -0.11 4.77 2.81 0.15 -1.82 117.12 119.31 1a3x n MET 304 Ca 0.00 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.65 1a3x n MET 304 Cb 0.23 -1.21 -0.11 0.00 -0.71 0.00 0.00 33.22 31.42 1a3x n MET 304 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1a3x n THR 305 N 0.19 1.55 0.90 2.03 -1.04 -0.65 -4.34 114.28 112.91 1a3x n THR 305 Ca 0.00 -0.17 0.11 0.00 -2.04 0.00 0.00 64.05 61.95 1a3x n THR 305 Cb 0.10 -1.97 0.05 0.00 -1.82 0.00 0.00 70.33 66.69 1a3x n THR 305 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1a3x n TYR 306 N -4.31 0.05 -4.24 -1.42 4.01 -0.86 -1.45 117.16 108.95 1a3x n TYR 306 Ca -0.39 0.02 -0.19 0.00 -0.16 0.00 0.00 57.90 57.18 1a3x n TYR 306 Cb 0.76 -0.19 -0.11 0.00 -0.31 0.00 0.00 39.34 39.49 1a3x n TYR 306 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1a3x s ASN 307 N -3.21 2.04 0.10 7.72 -0.87 -0.76 -5.00 114.94 114.95 1a3x s ASN 307 Ca 0.08 -0.75 0.08 0.00 -1.57 0.00 0.00 52.86 50.70 1a3x s ASN 307 Cb 0.16 -0.08 -0.21 0.00 -0.02 0.00 0.00 41.25 41.10 1a3x s ASN 307 CO 0.79 -0.10 1.18 1.55 -2.57 0.00 0.00 177.10 177.96 1a3x h PRO 308 N 3.75 0.00 -5.38 -0.60 0.13 -1.87 -3.37 132.00 124.66 1a3x h PRO 308 Ca -0.41 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.10 1a3x h PRO 308 Cb 1.19 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 1a3x h PRO 308 CO 0.47 0.91 -0.47 1.03 -0.23 0.00 0.00 178.00 179.71 1a3x s ARG 309 N -2.69 4.02 0.76 0.86 1.81 -1.26 -4.91 118.95 117.53 1a3x s ARG 309 Ca 0.00 -0.17 -0.09 0.00 -1.72 0.00 0.00 55.73 53.76 1a3x s ARG 309 Cb 0.10 -3.36 0.08 0.00 -0.45 0.00 0.00 34.95 31.32 1a3x s ARG 309 CO 0.82 0.41 1.08 -1.25 -0.68 0.00 0.00 175.30 175.69 1a3x s PRO 310 N 0.03 1.95 0.63 3.54 0.04 -1.26 -4.64 135.00 135.29 1a3x s PRO 310 Ca 0.10 -0.23 -0.04 0.00 0.04 0.00 0.00 61.00 60.87 1a3x s PRO 310 Cb -0.11 -2.09 0.13 0.00 0.04 0.00 0.00 34.50 32.46 1a3x s PRO 310 CO 0.00 -1.46 0.86 0.25 0.04 0.00 0.00 177.00 176.69 1a3x n THR 311 N -3.10 0.00 -0.02 1.26 -2.24 -1.26 -4.93 114.28 103.99 1a3x n THR 311 Ca 0.09 -1.06 -0.13 0.00 -2.27 0.00 0.00 64.05 60.68 1a3x n THR 311 Cb 0.60 -1.21 -0.11 0.00 -2.10 0.00 0.00 70.33 67.52 1a3x n THR 311 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1a3x h ARG 312 N 0.00 -0.00 -0.38 -0.78 2.47 -1.99 -2.63 114.38 111.06 1a3x h ARG 312 Ca -0.28 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.49 1a3x h ARG 312 Cb 0.93 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.21 1a3x h ARG 312 CO 0.26 0.59 0.10 0.00 0.56 0.00 0.00 179.97 181.48 1a3x h ALA 313 N 0.39 0.43 -0.15 0.04 0.00 -1.95 0.15 119.26 118.17 1a3x h ALA 313 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1a3x h ALA 313 Cb 0.59 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1a3x h ALA 313 CO 0.00 -0.30 0.10 0.93 0.00 0.00 0.00 179.25 179.98 1a3x h GLU 314 N 0.24 0.19 0.62 0.00 5.08 -1.75 -1.83 114.58 117.13 1a3x h GLU 314 Ca 0.18 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1a3x h GLU 314 Cb 0.19 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.41 1a3x h GLU 314 CO -0.22 0.13 -0.30 0.28 -1.00 0.00 0.00 179.01 177.90 1a3x h VAL 315 N 0.20 0.34 0.00 3.13 2.07 -1.23 -1.63 116.25 119.13 1a3x h VAL 315 Ca 0.06 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1a3x h VAL 315 Cb -0.02 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1a3x h VAL 315 CO -0.02 0.02 -0.00 -1.20 0.02 0.00 0.00 177.57 176.39 1a3x n SER 316 N -5.41 3.51 0.00 0.57 7.64 0.51 -1.30 113.62 119.15 1a3x n SER 316 Ca -0.13 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 57.82 1a3x n SER 316 Cb 0.35 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1a3x n SER 316 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1a3x n ASP 317 N 1.69 0.00 -0.03 6.43 2.03 -0.71 -4.62 116.55 121.34 1a3x n ASP 317 Ca 0.01 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.19 1a3x n ASP 317 Cb 0.33 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.64 1a3x n ASP 317 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1a3x h VAL 318 N 0.00 1.37 -0.51 5.18 2.07 -0.22 -2.01 116.25 122.14 1a3x h VAL 318 Ca 0.00 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 1a3x h VAL 318 Cb 0.00 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1a3x h VAL 318 CO 0.00 0.32 0.22 1.23 0.02 0.00 0.00 177.57 179.36 1a3x h GLY 319 N -0.32 0.80 0.97 2.17 0.00 -1.76 -3.13 103.07 101.80 1a3x h GLY 319 Ca 0.01 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1a3x h GLY 319 CO 0.01 0.40 0.18 3.43 0.00 0.00 0.00 176.54 180.56 1a3x h ASN 320 N 0.68 0.35 -0.70 0.19 -0.26 -1.81 -1.73 115.58 112.31 1a3x h ASN 320 Ca 0.17 -0.05 0.19 0.00 -0.56 0.00 0.00 56.30 56.05 1a3x h ASN 320 Cb 0.17 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.30 1a3x h ASN 320 CO -0.02 0.30 0.49 0.00 -1.06 0.00 0.00 177.43 177.15 1a3x h ALA 321 N 1.06 2.55 0.06 -0.83 0.00 -1.32 0.22 119.26 121.01 1a3x h ALA 321 Ca 0.10 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.73 1a3x h ALA 321 Cb 0.02 0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.86 1a3x h ALA 321 CO -0.02 -0.75 -1.12 0.82 0.00 0.00 0.00 179.25 178.18 1a3x h ILE 322 N 0.08 1.34 -0.21 0.00 2.04 -1.32 -1.23 117.51 118.20 1a3x h ILE 322 Ca 0.34 -2.49 -0.09 0.00 1.00 0.00 0.00 64.86 63.62 1a3x h ILE 322 Cb 1.22 2.58 -0.01 0.00 -0.74 0.00 0.00 36.82 39.88 1a3x h ILE 322 CO -0.03 0.75 -0.25 -0.07 0.00 0.00 0.00 178.15 178.55 1a3x h LEU 323 N 0.26 0.40 0.00 1.44 -0.00 0.08 -1.86 115.31 115.63 1a3x h LEU 323 Ca -0.14 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 1a3x h LEU 323 Cb 1.79 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 42.34 1a3x h LEU 323 CO 0.21 0.65 0.00 0.47 -0.00 0.00 0.00 178.44 179.77 1a3x n ASP 324 N -4.13 0.00 0.00 -0.43 8.00 0.50 -4.87 116.55 115.62 1a3x n ASP 324 Ca -0.01 -0.54 0.00 0.00 0.71 0.00 0.00 54.79 54.95 1a3x n ASP 324 Cb 0.39 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 1a3x n ASP 324 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a3x n GLY 325 N 0.53 1.10 3.76 0.44 0.00 -0.70 -4.24 105.19 106.08 1a3x n GLY 325 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1a3x n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a3x s ALA 326 N -2.00 3.55 -0.17 4.61 0.00 -0.47 -4.84 121.76 122.45 1a3x s ALA 326 Ca 0.00 1.35 0.19 0.00 0.00 0.00 0.00 51.96 53.50 1a3x s ALA 326 Cb 0.00 -3.53 -0.08 0.00 0.00 0.00 0.00 23.12 19.51 1a3x s ALA 326 CO 0.00 -0.76 0.92 -0.44 0.00 0.00 0.00 175.76 175.48 1a3x h ASP 327 N 3.79 0.00 -5.07 0.00 5.19 -1.41 -3.44 116.42 115.49 1a3x h ASP 327 Ca -0.48 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 55.79 1a3x h ASP 327 Cb 1.23 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 40.55 1a3x h ASP 327 CO 0.69 0.34 -0.56 0.00 -3.12 0.00 0.00 179.24 176.59 1a3x s VAL 329 N -2.38 2.48 0.43 0.00 -7.23 -0.73 -2.14 120.40 110.83 1a3x s VAL 329 Ca -0.07 -0.93 0.07 0.00 -1.81 0.00 0.00 61.98 59.24 1a3x s VAL 329 Cb -0.03 -1.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.97 1a3x s VAL 329 CO -0.04 0.58 0.35 -0.32 -0.31 0.00 0.00 175.10 175.36 1a3x s MET 330 N -0.45 2.44 -0.23 4.82 1.75 -0.73 0.12 119.30 127.03 1a3x s MET 330 Ca 0.05 -1.65 -0.04 0.00 -1.25 0.00 0.00 55.69 52.81 1a3x s MET 330 Cb -0.12 -2.28 0.12 0.00 2.84 0.00 0.00 34.83 35.39 1a3x s MET 330 CO 0.01 -0.24 0.38 -0.51 -0.65 0.00 0.00 175.02 174.01 1a3x s LEU 331 N -4.12 -0.62 0.00 4.11 1.43 -0.24 -4.65 118.68 114.58 1a3x s LEU 331 Ca 0.46 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 1a3x s LEU 331 Cb -0.02 1.15 0.00 0.00 0.03 0.00 0.00 46.19 47.35 1a3x s LEU 331 CO 0.26 -0.28 0.00 -1.20 0.23 0.00 0.00 176.35 175.36 1a3x n SER 332 N 5.37 0.00 0.00 2.29 7.64 -1.26 -0.46 113.62 127.20 1a3x n SER 332 Ca -0.05 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.94 1a3x n SER 332 Cb 0.50 0.00 0.64 0.00 -1.01 0.00 0.00 64.21 64.34 1a3x n SER 332 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a3x n GLY 333 N 3.53 -0.77 0.05 0.23 0.00 -1.26 -1.75 105.19 105.22 1a3x n GLY 333 Ca 0.00 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.02 1a3x n GLY 333 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a3x n GLU 334 N -0.94 0.32 0.00 1.61 4.71 -1.26 -1.60 120.64 123.47 1a3x n GLU 334 Ca 0.16 -0.09 0.00 0.00 -0.01 0.00 0.00 57.16 57.22 1a3x n GLU 334 Cb 0.07 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.01 1a3x n GLU 334 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1a3x n THR 335 N -1.26 0.00 1.29 2.62 -1.04 -1.08 -3.81 114.28 111.01 1a3x n THR 335 Ca 0.10 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.25 1a3x n THR 335 Cb 0.30 -0.45 0.36 0.00 -1.82 0.00 0.00 70.33 68.73 1a3x n THR 335 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a3x n ALA 336 N -1.53 2.82 -1.94 2.41 0.00 -0.72 -3.64 120.51 117.91 1a3x n ALA 336 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1a3x n ALA 336 Cb 0.27 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1a3x n ALA 336 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1a3x n LYS 337 N 0.06 0.00 -3.82 0.00 4.81 -1.08 -3.72 118.16 114.40 1a3x n LYS 337 Ca 0.15 -0.03 -0.21 0.00 -0.87 0.00 0.00 58.31 57.36 1a3x n LYS 337 Cb 0.40 -0.03 -0.02 0.00 0.02 0.00 0.00 35.03 35.40 1a3x n LYS 337 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1a3x s GLY 338 N 0.00 1.46 0.16 3.14 0.00 -0.63 -4.96 107.32 106.50 1a3x s GLY 338 Ca 0.00 -1.41 0.11 0.00 0.00 0.00 0.00 44.72 43.42 1a3x s GLY 338 CO 0.00 -1.38 1.26 3.43 0.00 0.00 0.00 173.10 176.40 1a3x h ASN 339 N 1.16 0.00 -2.17 1.64 2.35 -1.55 -3.40 115.58 113.62 1a3x h ASN 339 Ca -0.48 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 54.69 1a3x h ASN 339 Cb 1.24 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.20 1a3x h ASN 339 CO 0.58 0.79 -0.73 -1.22 -1.65 0.00 0.00 177.43 175.19 1a3x n TYR 340 N -3.25 2.89 0.11 1.19 4.01 -1.25 -4.89 117.16 115.98 1a3x n TYR 340 Ca -0.01 -4.00 -0.04 0.00 -0.16 0.00 0.00 57.90 53.69 1a3x n TYR 340 Cb 0.87 -0.50 0.12 0.00 -0.31 0.00 0.00 39.34 39.52 1a3x n TYR 340 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1a3x h PRO 341 N 3.70 0.09 -0.40 -0.72 0.13 -1.77 -2.67 132.00 130.36 1a3x h PRO 341 Ca 0.15 -0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 65.17 1a3x h PRO 341 Cb 0.67 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 1a3x h PRO 341 CO 0.75 0.72 0.06 -0.84 -0.23 0.00 0.00 178.00 178.47 1a3x h ILE 342 N 0.06 1.24 0.00 -3.56 -2.65 -1.90 -2.56 117.51 108.14 1a3x h ILE 342 Ca -0.01 -0.87 -0.07 0.00 1.03 0.00 0.00 64.86 64.94 1a3x h ILE 342 Cb 1.19 1.03 -0.01 0.00 -2.05 0.00 0.00 36.82 36.99 1a3x h ILE 342 CO 0.09 0.30 -0.31 0.78 0.03 0.00 0.00 178.15 179.04 1a3x h ASN 343 N 0.52 0.00 0.55 2.16 -0.26 -1.93 -1.82 115.58 114.80 1a3x h ASN 343 Ca 0.12 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.84 1a3x h ASN 343 Cb 0.37 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.64 1a3x h ASN 343 CO 0.01 0.31 -0.30 0.00 -1.06 0.00 0.00 177.43 176.39 1a3x h ALA 344 N 1.69 -1.17 -0.87 -0.83 0.00 -1.10 0.40 119.26 117.38 1a3x h ALA 344 Ca -0.00 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.82 1a3x h ALA 344 Cb 0.55 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1a3x h ALA 344 CO 0.04 -1.13 0.56 0.28 0.00 0.00 0.00 179.25 179.00 1a3x h VAL 345 N -0.78 1.02 0.00 0.00 2.07 -1.49 -0.47 116.25 116.59 1a3x h VAL 345 Ca -0.07 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1a3x h VAL 345 Cb 0.62 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1a3x h VAL 345 CO 0.10 0.17 -0.12 0.74 0.02 0.00 0.00 177.57 178.48 1a3x h THR 346 N 0.93 0.50 0.09 2.57 2.02 -0.86 -0.49 112.91 117.67 1a3x h THR 346 Ca 0.38 -0.57 -0.36 0.00 0.77 0.00 0.00 66.41 66.63 1a3x h THR 346 Cb 0.28 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 1a3x h THR 346 CO -0.15 0.12 -2.04 0.41 0.37 0.00 0.00 175.52 174.23 1a3x n THR 347 N -3.55 1.71 0.10 3.16 -1.04 0.14 -3.14 114.28 111.65 1a3x n THR 347 Ca -0.01 -0.59 -0.11 0.00 -2.04 0.00 0.00 64.05 61.30 1a3x n THR 347 Cb 0.26 -1.71 -0.06 0.00 -1.82 0.00 0.00 70.33 67.00 1a3x n THR 347 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 1a3x h MET 348 N -0.05 -0.49 -0.50 -2.82 -1.53 -1.02 -1.22 114.93 107.29 1a3x h MET 348 Ca -0.45 0.03 0.05 0.00 -3.44 0.00 0.00 59.70 55.89 1a3x h MET 348 Cb 1.94 0.11 -0.07 0.00 -0.55 0.00 0.00 31.60 33.04 1a3x h MET 348 CO 0.02 -0.33 -0.35 0.00 0.14 0.00 0.00 176.91 176.39 1a3x h ALA 349 N -0.99 -0.40 -1.02 0.39 0.00 -1.26 0.19 119.26 116.16 1a3x h ALA 349 Ca -0.01 0.05 0.25 0.00 0.00 0.00 0.00 54.91 55.20 1a3x h ALA 349 Cb 0.50 1.15 -0.11 0.00 0.00 0.00 0.00 17.79 19.33 1a3x h ALA 349 CO -0.15 -0.63 0.63 0.93 0.00 0.00 0.00 179.25 180.04 1a3x h GLU 350 N -0.07 0.49 -0.09 0.00 5.08 -1.47 0.63 114.58 119.16 1a3x h GLU 350 Ca 0.08 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.24 1a3x h GLU 350 Cb 0.28 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1a3x h GLU 350 CO -0.50 0.33 -0.69 1.15 -1.00 0.00 0.00 179.01 178.29 1a3x h THR 351 N 0.51 1.38 -0.60 1.13 2.02 0.55 -3.18 112.91 114.71 1a3x h THR 351 Ca 0.62 -2.08 -0.01 0.00 0.77 0.00 0.00 66.41 65.71 1a3x h THR 351 Cb 1.34 2.06 -0.03 0.00 -1.74 0.00 0.00 68.15 69.78 1a3x h THR 351 CO -0.39 0.63 0.34 0.00 0.37 0.00 0.00 175.52 176.47 1a3x h ALA 352 N 0.98 1.48 -0.32 6.16 0.00 0.84 -0.08 119.26 128.32 1a3x h ALA 352 Ca -0.02 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1a3x h ALA 352 Cb 1.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1a3x h ALA 352 CO 0.12 0.44 -0.30 0.28 0.00 0.00 0.00 179.25 179.79 1a3x h VAL 353 N 0.82 1.28 0.00 0.00 2.07 -1.49 -1.67 116.25 117.27 1a3x h VAL 353 Ca 0.21 -1.42 -0.15 0.00 0.82 0.00 0.00 66.70 66.16 1a3x h VAL 353 Cb -0.00 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1a3x h VAL 353 CO -0.04 0.46 -0.71 0.40 0.02 0.00 0.00 177.57 177.71 1a3x h ILE 354 N 0.58 1.42 0.00 4.57 2.04 -1.48 -2.95 117.51 121.69 1a3x h ILE 354 Ca 0.07 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.43 1a3x h ILE 354 Cb 0.80 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 39.26 1a3x h ILE 354 CO 0.07 0.69 0.00 0.00 0.00 0.00 0.00 178.15 178.91 1a3x n ALA 355 N -2.37 2.22 0.60 1.87 0.00 -0.08 -2.87 120.51 119.88 1a3x n ALA 355 Ca -0.00 -0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.40 1a3x n ALA 355 Cb 0.72 -1.42 -0.08 0.00 0.00 0.00 0.00 19.45 18.67 1a3x n ALA 355 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a3x n GLU 356 N -1.43 2.34 -0.37 0.00 1.02 -0.67 -4.20 120.64 117.34 1a3x n GLU 356 Ca 0.08 -0.01 0.07 0.00 -0.02 0.00 0.00 57.16 57.28 1a3x n GLU 356 Cb 0.27 -1.16 0.23 0.00 -0.02 0.00 0.00 31.44 30.76 1a3x n GLU 356 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1a3x n GLN 357 N -1.37 2.63 -0.00 3.49 6.02 -1.14 -3.66 117.38 123.36 1a3x n GLN 357 Ca 0.02 -1.86 0.00 0.00 -0.01 0.00 0.00 57.00 55.16 1a3x n GLN 357 Cb 0.22 -1.60 -0.00 0.00 1.02 0.00 0.00 30.24 29.88 1a3x n GLN 357 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1a3x n ALA 358 N 0.74 2.01 -1.11 -1.58 0.00 -1.25 -4.95 120.51 114.37 1a3x n ALA 358 Ca 0.17 -0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.27 1a3x n ALA 358 Cb 0.57 -0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.15 1a3x n ALA 358 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1a3x s ILE 359 N -1.65 2.04 -0.98 0.00 1.01 -1.24 -4.95 121.20 115.44 1a3x s ILE 359 Ca -0.00 0.02 -0.03 0.00 0.00 0.00 0.00 60.65 60.64 1a3x s ILE 359 Cb 0.00 -2.43 0.26 0.00 0.01 0.00 0.00 42.46 40.31 1a3x s ILE 359 CO 0.01 -0.01 1.07 0.00 0.00 0.00 0.00 174.94 176.00 1a3x n ALA 360 N -3.30 4.34 -0.17 9.38 0.00 -1.26 -4.94 120.51 124.56 1a3x n ALA 360 Ca 0.13 -4.70 -0.01 0.00 0.00 0.00 0.00 53.44 48.86 1a3x n ALA 360 Cb 0.50 -1.98 0.07 0.00 0.00 0.00 0.00 19.45 18.04 1a3x n ALA 360 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1a3x h TYR 361 N 5.77 -0.04 0.26 0.00 0.05 -1.92 0.15 116.97 121.24 1a3x h TYR 361 Ca 0.18 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.99 1a3x h TYR 361 Cb 0.75 0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.59 1a3x h TYR 361 CO 0.81 -0.13 -0.13 -0.07 -1.05 0.00 0.00 178.16 177.60 1a3x h LEU 362 N 0.11 -0.30 -1.12 3.88 -0.00 -1.94 -1.86 115.31 114.09 1a3x h LEU 362 Ca 0.27 0.01 0.09 0.00 -0.00 0.00 0.00 57.88 58.25 1a3x h LEU 362 Cb 0.41 0.08 -0.07 0.00 -0.00 0.00 0.00 40.66 41.08 1a3x h LEU 362 CO -0.45 -0.20 0.60 1.55 -0.00 0.00 0.00 178.44 179.95 1a3x h PRO 363 N -0.38 0.94 -0.48 1.13 0.13 -1.99 -0.90 132.00 130.45 1a3x h PRO 363 Ca -0.04 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 65.00 1a3x h PRO 363 Cb 0.27 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 31.16 1a3x h PRO 363 CO 0.06 0.62 0.15 -0.91 -0.23 0.00 0.00 178.00 177.69 1a3x h ASN 364 N 0.97 0.65 -0.19 1.44 2.35 -0.75 -1.86 115.58 118.17 1a3x h ASN 364 Ca 0.43 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 56.08 1a3x h ASN 364 Cb 0.37 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1a3x h ASN 364 CO -0.19 0.62 0.05 0.22 -1.65 0.00 0.00 177.43 176.48 1a3x h TYR 365 N 0.69 0.32 0.61 1.19 3.20 -0.31 -2.47 116.97 120.19 1a3x h TYR 365 Ca 0.16 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1a3x h TYR 365 Cb 0.20 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 1a3x h TYR 365 CO 0.01 0.41 -0.37 -0.44 -1.64 0.00 0.00 178.16 176.13 1a3x h ASP 366 N 0.13 -0.92 -0.90 -2.11 3.32 -1.06 -2.60 116.42 112.29 1a3x h ASP 366 Ca 0.06 0.05 0.24 0.00 0.02 0.00 0.00 57.03 57.41 1a3x h ASP 366 Cb 0.25 0.27 -0.14 0.00 0.22 0.00 0.00 39.33 39.93 1a3x h ASP 366 CO -0.00 -0.58 0.32 -0.78 -1.72 0.00 0.00 179.24 176.48 1a3x h ASP 367 N -0.92 0.14 -0.12 6.45 3.58 -1.33 0.24 116.42 124.46 1a3x h ASP 367 Ca -0.07 0.19 -0.07 0.00 0.42 0.00 0.00 57.03 57.50 1a3x h ASP 367 Cb 0.74 0.22 -0.02 0.00 1.72 0.00 0.00 39.33 42.00 1a3x h ASP 367 CO 0.08 -0.12 -0.11 -0.03 -2.88 0.00 0.00 179.24 176.17 1a3x h MET 368 N 0.26 0.46 0.00 0.28 4.05 -1.17 -2.78 114.93 116.03 1a3x h MET 368 Ca 0.58 -0.13 -0.01 0.00 -0.28 0.00 0.00 59.70 59.86 1a3x h MET 368 Cb 1.19 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.93 1a3x h MET 368 CO -0.62 0.58 -0.05 0.07 0.23 0.00 0.00 176.91 177.12 1a3x h ARG 369 N 0.43 0.00 -0.93 0.39 0.11 -0.18 -3.21 114.38 111.00 1a3x h ARG 369 Ca 0.08 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.15 1a3x h ARG 369 Cb 0.46 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.53 1a3x h ARG 369 CO 0.03 0.05 0.02 0.09 0.10 0.00 0.00 179.97 180.26 1a3x n ASN 370 N -3.11 2.16 -3.84 0.08 5.03 -0.77 -4.07 115.26 110.73 1a3x n ASN 370 Ca 0.04 -2.22 -0.30 0.00 0.87 0.00 0.00 54.58 52.97 1a3x n ASN 370 Cb 0.55 -0.54 -0.15 0.00 -1.02 0.00 0.00 39.78 38.61 1a3x n ASN 370 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a3x n THR 372 N 4.65 -0.82 -2.61 0.00 -1.04 -1.26 -4.98 114.28 108.22 1a3x n THR 372 Ca -0.02 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.57 1a3x n THR 372 Cb 0.42 -2.04 -0.03 0.00 -1.82 0.00 0.00 70.33 66.87 1a3x n THR 372 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1a3x s PRO 373 N -4.96 3.35 0.00 -2.82 0.04 -1.26 -4.46 135.00 124.90 1a3x s PRO 373 Ca 0.12 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.10 1a3x s PRO 373 Cb -0.05 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.40 1a3x s PRO 373 CO 0.14 -1.85 0.00 1.17 0.04 0.00 0.00 177.00 176.51 1a3x n LYS 374 N 8.65 0.00 -3.00 4.56 4.81 -1.26 -4.89 118.16 127.03 1a3x n LYS 374 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1a3x n LYS 374 Cb 0.49 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.54 1a3x n LYS 374 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1a3x n PRO 375 N -0.97 0.00 -0.62 1.64 -0.04 -1.26 -5.01 135.00 128.74 1a3x n PRO 375 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 1a3x n PRO 375 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 1a3x n PRO 375 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1a3x n THR 376 N 8.32 0.00 -2.08 0.52 -1.04 -1.26 -4.57 114.28 114.16 1a3x n THR 376 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 1a3x n THR 376 Cb 0.00 -0.07 -0.01 0.00 -1.82 0.00 0.00 70.33 68.43 1a3x n THR 376 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1a3x s SER 377 N 0.43 6.39 0.36 8.00 1.04 -1.26 -4.70 113.70 123.96 1a3x s SER 377 Ca 0.37 2.64 0.16 0.00 0.48 0.00 0.00 55.95 59.60 1a3x s SER 377 Cb -0.53 -2.64 1.10 0.00 0.10 0.00 0.00 66.02 64.05 1a3x s SER 377 CO 0.26 -0.79 1.69 0.74 0.98 0.00 0.00 173.24 176.12 1a3x h THR 378 N 2.54 0.37 -0.02 2.02 2.02 -1.99 0.86 112.91 118.70 1a3x h THR 378 Ca -0.49 -0.12 -0.10 0.00 0.77 0.00 0.00 66.41 66.46 1a3x h THR 378 Cb 1.24 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1a3x h THR 378 CO 0.63 0.07 -0.47 0.74 0.37 0.00 0.00 175.52 176.85 1a3x h THR 379 N 0.36 1.34 0.03 3.16 2.02 -1.97 -1.31 112.91 116.55 1a3x h THR 379 Ca 0.70 -1.63 -0.23 0.00 0.77 0.00 0.00 66.41 66.02 1a3x h THR 379 Cb 1.67 1.86 -0.02 0.00 -1.74 0.00 0.00 68.15 69.92 1a3x h THR 379 CO -0.49 0.47 -1.12 -0.08 0.37 0.00 0.00 175.52 174.66 1a3x h GLU 380 N 0.03 0.07 -0.35 6.66 4.81 0.22 -0.41 114.58 125.62 1a3x h GLU 380 Ca -0.00 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 58.99 1a3x h GLU 380 Cb 0.85 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 1a3x h GLU 380 CO 0.06 1.03 -0.22 1.15 -0.73 0.00 0.00 179.01 180.30 1a3x h THR 381 N 0.02 1.29 -0.01 0.32 2.02 -0.43 0.70 112.91 116.82 1a3x h THR 381 Ca -0.07 -1.35 -0.10 0.00 0.77 0.00 0.00 66.41 65.66 1a3x h THR 381 Cb 1.84 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 69.65 1a3x h THR 381 CO 0.15 0.44 -0.45 0.58 0.37 0.00 0.00 175.52 176.61 1a3x h VAL 382 N 0.54 1.32 0.63 3.16 2.07 -1.26 0.61 116.25 123.32 1a3x h VAL 382 Ca 0.07 -1.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.01 1a3x h VAL 382 Cb 0.77 1.83 0.01 0.00 -1.52 0.00 0.00 31.29 32.37 1a3x h VAL 382 CO 0.06 0.44 -0.30 0.00 0.02 0.00 0.00 177.57 177.79 1a3x h ALA 383 N 1.54 -1.03 -0.32 1.67 0.00 -0.60 -0.26 119.26 120.26 1a3x h ALA 383 Ca -0.00 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.79 1a3x h ALA 383 Cb 0.80 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 1a3x h ALA 383 CO 0.06 -0.97 -0.13 0.00 0.00 0.00 0.00 179.25 178.21 1a3x h ALA 384 N -1.45 0.14 -0.41 0.00 0.00 -0.83 -2.42 119.26 114.29 1a3x h ALA 384 Ca -0.09 0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1a3x h ALA 384 Cb 0.65 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 1a3x h ALA 384 CO 0.14 -0.51 -0.06 0.77 0.00 0.00 0.00 179.25 179.59 1a3x h SER 385 N -0.07 -0.30 -0.48 0.00 0.02 -0.83 -1.74 113.55 110.15 1a3x h SER 385 Ca 0.16 0.11 0.02 0.00 -0.84 0.00 0.00 61.79 61.24 1a3x h SER 385 Cb 0.31 0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 1a3x h SER 385 CO -0.36 -0.10 0.29 0.00 -1.14 0.00 0.00 176.83 175.52 1a3x h ALA 386 N 1.39 0.62 -0.52 3.77 0.00 -0.65 -1.97 119.26 121.90 1a3x h ALA 386 Ca 0.20 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.19 1a3x h ALA 386 Cb 0.30 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 1a3x h ALA 386 CO -0.39 -0.00 0.08 0.28 0.00 0.00 0.00 179.25 179.21 1a3x h VAL 387 N 0.59 0.67 -0.79 0.00 2.07 -0.87 0.15 116.25 118.07 1a3x h VAL 387 Ca 0.19 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.71 1a3x h VAL 387 Cb 0.00 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 30.16 1a3x h VAL 387 CO -0.08 0.04 0.47 0.00 0.02 0.00 0.00 177.57 178.01 1a3x h ALA 388 N 1.42 1.09 -0.41 1.67 0.00 -0.83 -2.56 119.26 119.65 1a3x h ALA 388 Ca 0.26 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.26 1a3x h ALA 388 Cb 0.37 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 17.90 1a3x h ALA 388 CO -0.37 0.16 -0.30 0.00 0.00 0.00 0.00 179.25 178.74 1a3x h ALA 389 N 1.40 -0.13 -0.40 0.00 0.00 -0.23 -0.74 119.26 119.16 1a3x h ALA 389 Ca 0.36 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 1a3x h ALA 389 Cb 0.22 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1a3x h ALA 389 CO -0.19 -0.69 0.14 -0.24 0.00 0.00 0.00 179.25 178.26 1a3x h VAL 390 N -0.23 1.16 -0.09 0.00 3.04 -1.20 -1.24 116.25 117.70 1a3x h VAL 390 Ca 0.18 -0.52 -0.04 0.00 -1.01 0.00 0.00 66.70 65.31 1a3x h VAL 390 Cb 0.52 0.71 -0.01 0.00 -2.01 0.00 0.00 31.29 30.50 1a3x h VAL 390 CO -0.53 0.20 -0.13 -0.26 -1.01 0.00 0.00 177.57 175.83 1a3x h PHE 391 N 0.57 0.14 0.00 3.17 0.04 -0.84 0.52 116.94 120.53 1a3x h PHE 391 Ca 0.14 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.90 1a3x h PHE 391 Cb 0.14 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.25 1a3x h PHE 391 CO 0.01 0.27 0.00 0.39 -0.60 0.00 0.00 178.31 178.37 1a3x n GLU 392 N -4.31 0.00 0.00 1.51 -0.58 -0.59 -4.17 120.64 112.49 1a3x n GLU 392 Ca -0.01 0.47 0.08 0.00 -0.42 0.00 0.00 57.16 57.27 1a3x n GLU 392 Cb 0.24 -1.01 0.45 0.00 -0.57 0.00 0.00 31.44 30.55 1a3x n GLU 392 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1a3x n GLN 393 N -1.90 0.48 -3.53 3.49 6.02 -0.57 -4.84 117.38 116.53 1a3x n GLN 393 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.78 1a3x n GLN 393 Cb 0.00 -1.49 0.08 0.00 1.02 0.00 0.00 30.24 29.85 1a3x n GLN 393 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1a3x n LYS 394 N -0.99 -7.43 -1.62 -1.09 5.02 0.17 -4.92 118.16 107.30 1a3x n LYS 394 Ca 0.11 0.83 -0.37 0.00 -2.02 0.00 0.00 58.31 56.87 1a3x n LYS 394 Cb 0.05 -5.87 0.08 0.00 -0.02 0.00 0.00 35.03 29.27 1a3x n LYS 394 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a3x n ALA 395 N -4.65 0.79 -0.02 7.82 0.00 -0.17 -4.93 120.51 119.35 1a3x n ALA 395 Ca -0.11 -0.05 -0.16 0.00 0.00 0.00 0.00 53.44 53.12 1a3x n ALA 395 Cb 0.60 -2.27 -0.14 0.00 0.00 0.00 0.00 19.45 17.64 1a3x n ALA 395 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1a3x n LYS 396 N -1.96 0.70 0.00 0.00 4.76 -0.73 -4.82 118.16 116.11 1a3x n LYS 396 Ca 0.15 0.25 0.00 0.00 -2.87 0.00 0.00 58.31 55.85 1a3x n LYS 396 Cb 0.48 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 1a3x n LYS 396 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1a3x n ALA 397 N -2.84 0.00 0.00 7.82 0.00 -1.26 -3.21 120.51 121.02 1a3x n ALA 397 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1a3x n ALA 397 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.50 1a3x n ALA 397 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1a3x n ILE 398 N 0.00 0.00 -1.69 0.00 3.06 -1.01 -4.23 119.36 115.49 1a3x n ILE 398 Ca 0.00 0.00 -0.44 0.00 -2.50 0.00 0.00 62.75 59.81 1a3x n ILE 398 Cb 0.00 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.15 1a3x n ILE 398 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 1a3x n ILE 399 N 0.00 0.22 -3.94 9.51 5.41 -0.90 -3.74 119.36 125.93 1a3x n ILE 399 Ca 0.00 -0.04 -0.16 0.00 1.00 0.00 0.00 62.75 63.55 1a3x n ILE 399 Cb 0.00 -1.95 -0.16 0.00 -0.71 0.00 0.00 39.64 36.82 1a3x n ILE 399 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1a3x s VAL 400 N 2.10 0.17 -0.02 1.39 0.11 0.15 -2.46 120.40 121.84 1a3x s VAL 400 Ca 0.81 0.06 -0.17 0.00 -2.93 0.00 0.00 61.98 59.75 1a3x s VAL 400 Cb -0.54 -0.25 -0.06 0.00 -1.53 0.00 0.00 36.38 34.00 1a3x s VAL 400 CO 0.37 0.13 0.47 -0.76 -3.33 0.00 0.00 175.10 171.98 1a3x s LEU 401 N 0.87 4.43 0.38 2.54 1.02 -1.17 -1.84 118.68 124.92 1a3x s LEU 401 Ca -0.09 1.00 -0.13 0.00 0.02 0.00 0.00 54.13 54.93 1a3x s LEU 401 Cb -0.12 -2.70 0.05 0.00 0.02 0.00 0.00 46.19 43.44 1a3x s LEU 401 CO -0.02 0.22 0.74 -0.55 0.02 0.00 0.00 176.35 176.77 1a3x s SER 402 N -0.59 0.17 0.00 2.29 0.15 -0.98 -4.81 113.70 109.93 1a3x s SER 402 Ca 0.26 -1.23 0.00 0.00 0.70 0.00 0.00 55.95 55.68 1a3x s SER 402 Cb -0.17 0.83 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 1a3x s SER 402 CO 0.14 -1.65 0.00 0.41 1.20 0.00 0.00 173.24 173.34 1a3x n THR 403 N -0.54 0.00 0.61 6.45 -1.04 -1.26 -4.42 114.28 114.08 1a3x n THR 403 Ca -0.07 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.05 1a3x n THR 403 Cb 0.60 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 69.19 1a3x n THR 403 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1a3x n SER 404 N -0.40 0.63 -0.86 8.00 7.64 -1.26 -4.64 113.62 122.73 1a3x n SER 404 Ca 0.00 -0.14 -0.11 0.00 1.01 0.00 0.00 58.87 59.63 1a3x n SER 404 Cb 0.00 0.59 -0.04 0.00 -1.01 0.00 0.00 64.21 63.74 1a3x n SER 404 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a3x n GLY 405 N 1.37 1.16 0.06 0.23 0.00 -1.26 -4.89 105.19 101.86 1a3x n GLY 405 Ca 0.03 -0.52 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 1a3x n GLY 405 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1a3x h THR 406 N 0.00 0.24 -0.82 2.61 2.02 -1.98 -3.07 112.91 111.90 1a3x h THR 406 Ca -0.23 -1.19 0.10 0.00 0.77 0.00 0.00 66.41 65.87 1a3x h THR 406 Cb 0.74 0.46 -0.08 0.00 -1.74 0.00 0.00 68.15 67.53 1a3x h THR 406 CO 0.33 0.08 0.46 0.74 0.37 0.00 0.00 175.52 177.50 1a3x h THR 407 N -1.00 0.88 0.00 3.16 2.02 -1.92 -1.45 112.91 114.60 1a3x h THR 407 Ca -0.01 -0.26 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 1a3x h THR 407 Cb 0.21 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1a3x h THR 407 CO -0.00 0.14 -0.35 1.55 0.37 0.00 0.00 175.52 177.22 1a3x h PRO 408 N 0.75 0.00 -0.13 6.66 0.13 -1.92 -2.91 132.00 134.58 1a3x h PRO 408 Ca 0.41 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.43 1a3x h PRO 408 Cb 0.41 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.54 1a3x h PRO 408 CO -0.27 0.35 -0.34 -0.09 -0.23 0.00 0.00 178.00 177.42 1a3x h ARG 409 N 0.00 0.46 -0.37 0.86 2.43 -1.25 -2.46 114.38 114.04 1a3x h ARG 409 Ca -0.00 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1a3x h ARG 409 Cb 1.13 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 1a3x h ARG 409 CO 0.05 0.94 0.23 -0.07 -1.51 0.00 0.00 179.97 179.61 1a3x h LEU 410 N 0.06 0.44 -0.89 3.80 4.07 -1.30 0.44 115.31 121.93 1a3x h LEU 410 Ca -0.01 -0.04 0.05 0.00 0.08 0.00 0.00 57.88 57.97 1a3x h LEU 410 Cb 0.95 -0.11 -0.06 0.00 1.08 0.00 0.00 40.66 42.52 1a3x h LEU 410 CO 0.07 0.35 0.57 0.58 -1.08 0.00 0.00 178.44 178.93 1a3x h VAL 411 N 0.49 1.09 -0.31 1.22 2.07 -1.57 -0.52 116.25 118.72 1a3x h VAL 411 Ca 0.13 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.35 1a3x h VAL 411 Cb -0.02 -0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 29.63 1a3x h VAL 411 CO -0.03 0.19 -0.07 -1.28 0.02 0.00 0.00 177.57 176.41 1a3x h SER 412 N 1.06 -0.26 -1.02 0.57 0.87 -0.80 0.21 113.55 114.18 1a3x h SER 412 Ca 0.38 0.09 0.26 0.00 -1.23 0.00 0.00 61.79 61.29 1a3x h SER 412 Cb 0.11 0.18 -0.12 0.00 -0.44 0.00 0.00 62.40 62.13 1a3x h SER 412 CO -0.15 -0.09 0.62 0.50 -0.53 0.00 0.00 176.83 177.17 1a3x h LYS 413 N 0.01 0.49 -0.82 2.24 3.64 0.70 0.95 116.57 123.78 1a3x h LYS 413 Ca 0.15 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1a3x h LYS 413 Cb 0.22 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1a3x h LYS 413 CO -0.31 0.32 0.00 0.66 -2.27 0.00 0.00 179.45 177.86 1a3x n TYR 414 N -4.84 0.90 -1.33 1.91 4.01 0.71 -4.97 117.16 113.54 1a3x n TYR 414 Ca 0.27 -0.31 -0.02 0.00 -0.16 0.00 0.00 57.90 57.68 1a3x n TYR 414 Cb 0.82 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 1a3x n TYR 414 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1a3x n ARG 415 N 0.27 -0.10 -1.31 -0.72 3.00 0.33 -4.85 116.66 113.27 1a3x n ARG 415 Ca 0.12 0.07 -0.31 0.00 -0.00 0.00 0.00 57.85 57.73 1a3x n ARG 415 Cb 0.66 -0.11 0.10 0.00 0.00 0.00 0.00 32.46 33.11 1a3x n ARG 415 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1a3x s PRO 416 N -0.41 2.04 -0.70 -0.14 0.04 -1.26 -4.93 135.00 129.64 1a3x s PRO 416 Ca 0.02 0.99 -0.01 0.00 0.04 0.00 0.00 61.00 62.04 1a3x s PRO 416 Cb -0.00 -1.89 0.41 0.00 0.04 0.00 0.00 34.50 33.06 1a3x s PRO 416 CO 0.05 -1.74 1.90 0.27 0.04 0.00 0.00 177.00 177.52 1a3x n ASN 417 N -3.57 7.21 -3.52 6.66 2.04 -1.26 -4.90 115.26 117.93 1a3x n ASN 417 Ca 0.08 -3.80 -0.16 0.00 -0.44 0.00 0.00 54.58 50.26 1a3x n ASN 417 Cb 0.54 -0.93 -0.05 0.00 -2.53 0.00 0.00 39.78 36.81 1a3x n ASN 417 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1a3x n PRO 419 N 0.69 1.66 -3.46 0.00 -0.02 -1.20 -4.84 135.00 127.84 1a3x n PRO 419 Ca -0.17 0.59 -0.43 0.00 -2.02 0.00 0.00 63.50 61.47 1a3x n PRO 419 Cb 0.58 -2.14 -0.04 0.00 -0.02 0.00 0.00 33.50 31.88 1a3x n PRO 419 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1a3x s ILE 420 N -0.35 5.13 -0.45 4.25 1.01 -0.93 -2.40 121.20 127.46 1a3x s ILE 420 Ca 0.67 -3.02 -0.28 0.00 0.00 0.00 0.00 60.65 58.01 1a3x s ILE 420 Cb -0.71 -4.17 -0.00 0.00 0.01 0.00 0.00 42.46 37.58 1a3x s ILE 420 CO 0.53 -1.05 1.59 -0.63 0.00 0.00 0.00 174.94 175.39 1a3x s ILE 421 N -0.47 3.67 -0.33 2.92 -1.09 -1.25 -1.75 121.20 122.90 1a3x s ILE 421 Ca 0.22 0.63 -0.14 0.00 -2.23 0.00 0.00 60.65 59.13 1a3x s ILE 421 Cb -0.12 -4.05 -0.02 0.00 -1.58 0.00 0.00 42.46 36.69 1a3x s ILE 421 CO -0.08 -0.77 0.30 -0.22 -1.23 0.00 0.00 174.94 172.94 1a3x s LEU 422 N 6.54 4.38 -0.18 2.97 2.96 -1.15 0.29 118.68 134.49 1a3x s LEU 422 Ca 0.66 -0.23 -0.13 0.00 -0.22 0.00 0.00 54.13 54.21 1a3x s LEU 422 Cb -0.15 -2.25 -0.05 0.00 0.50 0.00 0.00 46.19 44.24 1a3x s LEU 422 CO 0.30 -0.26 0.24 -0.69 -1.32 0.00 0.00 176.35 174.62 1a3x s VAL 423 N 1.89 5.33 0.09 1.68 1.01 -0.76 -2.08 120.40 127.56 1a3x s VAL 423 Ca 0.09 0.43 -0.07 0.00 0.00 0.00 0.00 61.98 62.44 1a3x s VAL 423 Cb -0.17 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 1a3x s VAL 423 CO 0.11 0.39 0.15 0.28 0.00 0.00 0.00 175.10 176.03 1a3x s THR 424 N 0.56 0.15 -0.09 3.92 -1.32 -0.89 -2.31 115.64 115.66 1a3x s THR 424 Ca 0.14 -1.36 0.12 0.00 -1.21 0.00 0.00 61.69 59.38 1a3x s THR 424 Cb -0.13 -1.47 -0.18 0.00 -1.51 0.00 0.00 72.50 69.21 1a3x s THR 424 CO 0.03 -0.66 0.15 0.54 -2.21 0.00 0.00 174.62 172.46 1a3x n ARG 425 N -0.05 1.32 -2.41 7.08 1.74 -1.23 0.20 116.66 123.30 1a3x n ARG 425 Ca -0.13 -0.05 -0.43 0.00 -0.77 0.00 0.00 57.85 56.47 1a3x n ARG 425 Cb 0.62 -1.33 -0.02 0.00 -1.02 0.00 0.00 32.46 30.71 1a3x n ARG 425 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a3x h PRO 427 N 8.04 0.46 -0.49 0.00 0.13 -1.97 -3.22 132.00 134.95 1a3x h PRO 427 Ca -0.29 -0.29 0.02 0.00 -0.87 0.00 0.00 66.00 64.57 1a3x h PRO 427 Cb 1.12 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 1a3x h PRO 427 CO 0.94 0.89 0.29 -0.09 -0.23 0.00 0.00 178.00 179.81 1a3x h ARG 428 N 0.35 0.57 -0.20 0.86 2.43 -1.97 -2.60 114.38 113.82 1a3x h ARG 428 Ca 0.01 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 1a3x h ARG 428 Cb 1.08 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1a3x h ARG 428 CO 0.10 0.38 -0.22 0.00 -1.51 0.00 0.00 179.97 178.72 1a3x h ALA 429 N 1.22 1.26 0.00 2.80 0.00 -1.82 -2.11 119.26 120.60 1a3x h ALA 429 Ca 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1a3x h ALA 429 Cb 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1a3x h ALA 429 CO -0.09 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.65 1a3x h ALA 430 N 1.45 1.00 0.05 0.00 0.00 -1.48 -1.39 119.26 118.89 1a3x h ALA 430 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.65 1a3x h ALA 430 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1a3x h ALA 430 CO 0.04 0.00 -1.72 0.54 0.00 0.00 0.00 179.25 178.11 1a3x n ARG 431 N -3.08 0.65 -0.01 0.00 1.74 -0.90 -4.20 116.66 110.87 1a3x n ARG 431 Ca 0.00 0.41 0.13 0.00 -0.77 0.00 0.00 57.85 57.62 1a3x n ARG 431 Cb 0.27 -1.70 0.74 0.00 -1.02 0.00 0.00 32.46 30.75 1a3x n ARG 431 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 1a3x n PHE 432 N -3.99 0.01 1.51 -1.55 1.16 -0.85 -3.46 117.46 110.29 1a3x n PHE 432 Ca -0.35 -0.01 0.15 0.00 -1.87 0.00 0.00 57.45 55.37 1a3x n PHE 432 Cb 0.86 0.00 0.75 0.00 -1.61 0.00 0.00 39.48 39.47 1a3x n PHE 432 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 1a3x n SER 433 N -0.73 0.13 0.00 5.98 7.64 -0.53 -2.47 113.62 123.65 1a3x n SER 433 Ca 0.20 -0.39 0.10 0.00 1.01 0.00 0.00 58.87 59.79 1a3x n SER 433 Cb 0.13 -0.18 0.62 0.00 -1.01 0.00 0.00 64.21 63.77 1a3x n SER 433 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1a3x n HIS 434 N -1.15 0.00 0.10 1.43 8.25 -1.23 -2.58 115.22 120.04 1a3x n HIS 434 Ca 0.16 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.44 1a3x n HIS 434 Cb 0.23 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.23 1a3x n HIS 434 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1a3x h LEU 435 N 0.00 0.63 -9.06 2.41 3.38 -1.77 -3.41 115.31 107.50 1a3x h LEU 435 Ca 0.00 -0.60 -0.60 0.00 0.09 0.00 0.00 57.88 56.77 1a3x h LEU 435 Cb 0.00 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 40.45 1a3x h LEU 435 CO 0.00 1.43 0.26 -0.31 0.09 0.00 0.00 178.44 179.92 1a3x s TYR 436 N -2.92 3.33 0.20 1.13 2.02 -1.06 -4.60 117.35 115.45 1a3x s TYR 436 Ca -0.07 0.98 -0.33 0.00 -0.37 0.00 0.00 57.07 57.29 1a3x s TYR 436 Cb 0.07 -2.91 -0.13 0.00 -0.40 0.00 0.00 41.96 38.59 1a3x s TYR 436 CO 0.90 -0.30 1.59 -2.13 -1.57 0.00 0.00 175.55 174.04 1a3x n ARG 437 N 5.57 2.34 -0.01 -0.62 0.63 -1.26 -2.70 116.66 120.62 1a3x n ARG 437 Ca 0.02 0.84 0.00 0.00 -0.92 0.00 0.00 57.85 57.79 1a3x n ARG 437 Cb 0.49 -2.62 0.00 0.00 0.45 0.00 0.00 32.46 30.78 1a3x n ARG 437 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1a3x n GLY 438 N 3.26 1.31 3.67 5.14 0.00 0.79 -4.75 105.19 114.61 1a3x n GLY 438 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1a3x n GLY 438 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a3x s VAL 439 N -2.45 4.85 -0.74 1.61 1.01 -1.10 -2.19 120.40 121.40 1a3x s VAL 439 Ca 0.00 1.74 -0.04 0.00 0.00 0.00 0.00 61.98 63.68 1a3x s VAL 439 Cb 0.00 -4.18 0.19 0.00 0.00 0.00 0.00 36.38 32.39 1a3x s VAL 439 CO 0.00 0.01 0.60 -0.36 0.00 0.00 0.00 175.10 175.35 1a3x s PHE 440 N 2.16 3.61 0.67 5.22 0.40 -0.72 -4.72 117.98 124.60 1a3x s PHE 440 Ca 0.41 -2.75 -0.14 0.00 -0.60 0.00 0.00 56.93 53.85 1a3x s PHE 440 Cb -0.17 -3.28 0.00 0.00 0.51 0.00 0.00 43.02 40.08 1a3x s PHE 440 CO 0.13 -0.82 1.09 -2.14 0.70 0.00 0.00 175.22 174.18 1a3x s PRO 441 N -0.50 2.83 -0.15 0.24 0.02 -1.26 -2.95 135.00 133.23 1a3x s PRO 441 Ca 0.21 1.26 -0.16 0.00 0.02 0.00 0.00 61.00 62.33 1a3x s PRO 441 Cb -0.15 -1.96 0.04 0.00 0.02 0.00 0.00 34.50 32.45 1a3x s PRO 441 CO -0.07 -1.21 0.44 -0.06 -0.33 0.00 0.00 177.00 175.77 1a3x s PHE 442 N -2.54 -0.46 -0.22 6.54 0.08 -0.88 -4.87 117.98 115.63 1a3x s PHE 442 Ca 0.64 1.09 -0.10 0.00 0.12 0.00 0.00 56.93 58.69 1a3x s PHE 442 Cb -0.18 0.17 -0.05 0.00 -0.57 0.00 0.00 43.02 42.39 1a3x s PHE 442 CO 0.44 -0.26 0.14 0.54 -0.10 0.00 0.00 175.22 175.98 1a3x s VAL 443 N 0.04 5.33 -0.04 -0.44 0.11 -1.26 -2.09 120.40 122.05 1a3x s VAL 443 Ca -0.02 0.16 0.05 0.00 -2.93 0.00 0.00 61.98 59.25 1a3x s VAL 443 Cb -0.03 -3.45 -0.01 0.00 -1.53 0.00 0.00 36.38 31.36 1a3x s VAL 443 CO 0.01 0.40 -0.21 0.12 -3.33 0.00 0.00 175.10 172.10 1a3x s PHE 444 N 0.67 2.02 0.00 1.54 5.36 0.52 -4.94 117.98 123.15 1a3x s PHE 444 Ca 0.07 -0.56 0.00 0.00 -0.96 0.00 0.00 56.93 55.48 1a3x s PHE 444 Cb -0.12 -1.34 0.00 0.00 -0.34 0.00 0.00 43.02 41.22 1a3x s PHE 444 CO 0.01 -0.16 0.00 -0.85 -1.46 0.00 0.00 175.22 172.75 1a3x n GLU 445 N 2.97 2.21 0.00 10.12 0.00 -1.26 -3.55 120.64 131.13 1a3x n GLU 445 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.99 1a3x n GLU 445 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.96 1a3x n GLU 445 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1a3x n LYS 446 N 0.00 0.00 0.00 3.44 5.02 -1.26 -5.11 118.16 120.25 1a3x n LYS 446 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1a3x n LYS 446 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1a3x n LYS 446 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1a3x n GLU 447 N 0.00 0.00 -0.41 1.97 -0.58 -1.26 -5.23 120.64 115.12 1a3x n GLU 447 Ca 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.72 1a3x n GLU 447 Cb 0.00 0.00 0.12 0.00 -0.57 0.00 0.00 31.44 30.99 1a3x n GLU 447 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1a3x n THR 453 N 1.90 1.43 1.38 2.62 -1.04 -1.26 -5.17 114.28 114.13 1a3x n THR 453 Ca 0.00 -0.64 0.00 0.00 -2.04 0.00 0.00 64.05 61.37 1a3x n THR 453 Cb 0.00 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 67.94 1a3x n THR 453 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1a3x n ASP 454 N 0.08 0.63 -0.00 8.00 5.75 -1.26 -3.32 116.55 126.43 1a3x n ASP 454 Ca 0.16 -2.00 0.01 0.00 -0.01 0.00 0.00 54.79 52.95 1a3x n ASP 454 Cb 0.77 -0.31 -0.01 0.00 -1.03 0.00 0.00 41.12 40.54 1a3x n ASP 454 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1a3x n ASP 455 N -0.19 2.96 0.26 -1.12 5.75 -1.26 -4.70 116.55 118.25 1a3x n ASP 455 Ca 0.00 -0.20 0.15 0.00 -0.01 0.00 0.00 54.79 54.73 1a3x n ASP 455 Cb 0.16 1.05 0.79 0.00 -1.03 0.00 0.00 41.12 42.09 1a3x n ASP 455 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 1a3x h VAL 456 N 0.00 0.00 -0.12 2.12 -1.51 -2.00 -0.09 116.25 114.65 1a3x h VAL 456 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.43 1a3x h VAL 456 Cb 0.06 0.64 -0.01 0.00 -2.13 0.00 0.00 31.29 29.86 1a3x h VAL 456 CO 0.00 0.00 -0.10 -0.33 -1.23 0.00 0.00 177.57 175.91 1a3x h GLU 457 N 0.00 0.18 0.13 5.19 3.07 -1.84 0.16 114.58 121.47 1a3x h GLU 457 Ca 0.00 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1a3x h GLU 457 Cb 0.26 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1a3x h GLU 457 CO 0.00 0.29 -0.06 0.00 -1.40 0.00 0.00 179.01 177.84 1a3x h ALA 458 N 1.73 -0.18 -0.78 3.43 0.00 -1.36 -0.73 119.26 121.36 1a3x h ALA 458 Ca 0.04 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.84 1a3x h ALA 458 Cb 0.29 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1a3x h ALA 458 CO 0.02 -0.40 0.51 0.00 0.00 0.00 0.00 179.25 179.37 1a3x h ARG 459 N -0.58 0.70 0.00 0.00 3.08 -1.53 0.40 114.38 116.46 1a3x h ARG 459 Ca -0.02 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 1a3x h ARG 459 Cb 0.45 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1a3x h ARG 459 CO 0.03 0.47 -0.39 0.82 -1.07 0.00 0.00 179.97 179.83 1a3x h ILE 460 N 0.72 1.01 0.00 2.04 2.04 -0.84 -1.30 117.51 121.18 1a3x h ILE 460 Ca 0.36 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.75 1a3x h ILE 460 Cb 0.42 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 1a3x h ILE 460 CO -0.13 0.38 -0.25 0.78 0.00 0.00 0.00 178.15 178.92 1a3x h ASN 461 N 0.00 0.00 0.36 1.72 -0.26 0.12 -1.69 115.58 115.82 1a3x h ASN 461 Ca -0.00 -0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 55.69 1a3x h ASN 461 Cb 0.83 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.09 1a3x h ASN 461 CO 0.05 0.01 -0.17 0.15 -1.06 0.00 0.00 177.43 176.41 1a3x h PHE 462 N 0.00 -0.44 -0.73 1.19 3.57 0.43 -2.23 116.94 118.73 1a3x h PHE 462 Ca 0.00 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1a3x h PHE 462 Cb 0.90 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.75 1a3x h PHE 462 CO 0.00 -0.16 0.48 0.78 -2.23 0.00 0.00 178.31 177.18 1a3x h GLY 463 N -1.03 1.00 0.67 2.40 0.00 -1.36 0.52 103.07 105.27 1a3x h GLY 463 Ca -0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1a3x h GLY 463 CO 0.08 0.29 -0.10 -2.22 0.00 0.00 0.00 176.54 174.59 1a3x h ILE 464 N 0.86 0.89 -0.80 2.60 2.04 -1.35 0.69 117.51 122.44 1a3x h ILE 464 Ca 0.29 -0.65 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 1a3x h ILE 464 Cb 0.10 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 1a3x h ILE 464 CO -0.09 0.14 0.33 -0.08 0.00 0.00 0.00 178.15 178.45 1a3x h GLU 465 N -0.60 1.20 0.00 2.37 4.81 -1.19 0.22 114.58 121.39 1a3x h GLU 465 Ca -0.03 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 58.95 1a3x h GLU 465 Cb 0.44 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1a3x h GLU 465 CO 0.05 0.96 -0.20 0.87 -0.73 0.00 0.00 179.01 179.96 1a3x h LYS 466 N 1.17 0.00 -0.04 1.92 1.79 0.15 -1.31 116.57 120.24 1a3x h LYS 466 Ca 0.27 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.55 1a3x h LYS 466 Cb 0.21 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1a3x h LYS 466 CO -0.02 0.20 -0.72 0.00 -1.08 0.00 0.00 179.45 177.83 1a3x h ALA 467 N 1.80 0.15 -0.85 3.86 0.00 0.20 -3.25 119.26 121.15 1a3x h ALA 467 Ca -0.00 -0.59 0.04 0.00 0.00 0.00 0.00 54.91 54.35 1a3x h ALA 467 Cb 0.46 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1a3x h ALA 467 CO 0.03 0.49 0.56 0.87 0.00 0.00 0.00 179.25 181.20 1a3x h LYS 468 N 0.17 1.02 0.00 0.00 1.57 0.41 -0.41 116.57 119.33 1a3x h LYS 468 Ca -0.08 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1a3x h LYS 468 Cb 1.39 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 1a3x h LYS 468 CO 0.14 0.68 -0.15 0.93 -0.57 0.00 0.00 179.45 180.48 1a3x h GLU 469 N 1.05 0.00 -0.16 3.15 5.08 -1.32 0.17 114.58 122.55 1a3x h GLU 469 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1a3x h GLU 469 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1a3x h GLU 469 CO -0.10 0.15 0.00 1.19 -1.00 0.00 0.00 179.01 179.25 1a3x n PHE 470 N -4.05 0.21 -1.81 4.33 3.01 -0.25 -4.92 117.46 113.97 1a3x n PHE 470 Ca -0.02 -0.10 -0.17 0.00 1.01 0.00 0.00 57.45 58.16 1a3x n PHE 470 Cb 0.23 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.65 1a3x n PHE 470 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1a3x n GLY 471 N 1.16 0.93 0.06 1.37 0.00 0.59 -4.89 105.19 104.41 1a3x n GLY 471 Ca 0.17 -0.19 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 1a3x n GLY 471 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1a3x h ILE 472 N 0.00 1.69 -4.42 -0.61 2.04 -1.52 -3.45 117.51 111.24 1a3x h ILE 472 Ca -0.37 -3.41 -0.70 0.00 1.00 0.00 0.00 64.86 61.39 1a3x h ILE 472 Cb 1.18 2.84 -0.28 0.00 -0.74 0.00 0.00 36.82 39.83 1a3x h ILE 472 CO 0.50 0.97 -0.87 -0.76 0.00 0.00 0.00 178.15 177.98 1a3x s LEU 473 N -6.70 2.18 0.00 1.44 1.02 -1.26 -4.76 118.68 110.61 1a3x s LEU 473 Ca 0.01 -0.49 0.07 0.00 0.02 0.00 0.00 54.13 53.74 1a3x s LEU 473 Cb 0.10 -1.35 0.20 0.00 0.02 0.00 0.00 46.19 45.16 1a3x s LEU 473 CO 0.82 0.30 1.14 0.29 0.02 0.00 0.00 176.35 178.92 1a3x n LYS 474 N 2.14 2.74 -0.99 1.70 4.01 -1.26 -4.62 118.16 121.88 1a3x n LYS 474 Ca -0.16 -1.81 0.00 0.00 -0.51 0.00 0.00 58.31 55.82 1a3x n LYS 474 Cb 0.51 -1.18 0.00 0.00 -0.51 0.00 0.00 35.03 33.86 1a3x n LYS 474 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1a3x n LYS 475 N 0.20 -2.01 -2.59 1.97 4.81 -1.26 -4.78 118.16 114.49 1a3x n LYS 475 Ca 0.08 1.68 -0.04 0.00 -0.87 0.00 0.00 58.31 59.15 1a3x n LYS 475 Cb 0.36 -1.54 0.01 0.00 0.02 0.00 0.00 35.03 33.88 1a3x n LYS 475 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a3x n GLY 476 N 0.53 0.59 0.00 3.14 0.00 0.29 -4.91 105.19 104.84 1a3x n GLY 476 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1a3x n GLY 476 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a3x n ASP 477 N 0.75 0.00 0.00 1.61 9.92 -1.26 -4.84 116.55 122.73 1a3x n ASP 477 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1a3x n ASP 477 Cb 0.52 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 1a3x n ASP 477 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1a3x n THR 478 N 0.00 0.00 -4.32 -3.53 5.66 -1.26 -4.74 114.28 106.09 1a3x n THR 478 Ca 0.00 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.83 1a3x n THR 478 Cb 0.00 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.68 1a3x n THR 478 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1a3x s TYR 479 N 0.00 1.51 -0.08 1.09 -0.85 -1.04 -1.77 117.35 116.21 1a3x s TYR 479 Ca 0.00 -0.88 0.03 0.00 -0.52 0.00 0.00 57.07 55.70 1a3x s TYR 479 Cb 0.00 -0.85 0.01 0.00 0.38 0.00 0.00 41.96 41.49 1a3x s TYR 479 CO 0.00 -0.00 -0.18 0.08 -1.52 0.00 0.00 175.55 173.93 1a3x s VAL 480 N -3.39 1.54 0.43 -3.49 1.01 -1.26 -3.30 120.40 111.95 1a3x s VAL 480 Ca 0.26 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.59 1a3x s VAL 480 Cb 0.05 -1.36 -0.00 0.00 0.00 0.00 0.00 36.38 35.07 1a3x s VAL 480 CO 0.07 0.44 0.46 -0.44 0.00 0.00 0.00 175.10 175.63 1a3x s SER 481 N 0.46 5.21 -0.17 3.32 0.01 -1.22 -2.12 113.70 119.19 1a3x s SER 481 Ca -0.15 -0.68 -0.14 0.00 1.31 0.00 0.00 55.95 56.29 1a3x s SER 481 Cb -0.16 -0.50 0.05 0.00 0.21 0.00 0.00 66.02 65.62 1a3x s SER 481 CO 0.06 -0.74 0.45 -0.63 0.41 0.00 0.00 173.24 172.78 1a3x s ILE 482 N -2.46 -0.01 -0.83 1.44 1.01 -1.03 -1.49 121.20 117.83 1a3x s ILE 482 Ca 0.50 0.02 0.00 0.00 0.00 0.00 0.00 60.65 61.17 1a3x s ILE 482 Cb -0.05 -0.64 0.00 0.00 0.01 0.00 0.00 42.46 41.78 1a3x s ILE 482 CO 0.30 0.01 0.00 0.00 0.00 0.00 0.00 174.94 175.25 1a3x n GLN 483 N 3.24 -2.94 -3.50 2.79 0.00 -1.26 -3.04 117.38 112.66 1a3x n GLN 483 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 57.00 56.46 1a3x n GLN 483 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.75 1a3x n GLN 483 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1a3x s GLY 484 N 0.00 2.47 -0.49 2.61 0.00 -1.26 -0.12 107.32 110.53 1a3x s GLY 484 Ca 0.00 -0.23 -0.17 0.00 0.00 0.00 0.00 44.72 44.33 1a3x s GLY 484 CO 0.00 0.16 0.48 0.54 0.00 0.00 0.00 173.10 174.29 1a3x s ASN 493 N -1.00 6.18 0.00 1.64 4.22 -1.26 -5.08 114.94 119.63 1a3x s ASN 493 Ca 0.24 -1.20 0.00 0.00 -2.14 0.00 0.00 52.86 49.76 1a3x s ASN 493 Cb -0.17 -2.22 0.00 0.00 1.28 0.00 0.00 41.25 40.14 1a3x s ASN 493 CO 0.13 -0.74 0.00 0.35 -2.04 0.00 0.00 177.10 174.80 1a3x n THR 494 N 5.35 0.00 0.00 0.54 -2.24 0.82 -4.99 114.28 113.76 1a3x n THR 494 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1a3x n THR 494 Cb 0.44 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1a3x n THR 494 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1a3x n LEU 495 N 0.00 0.00 0.00 3.22 0.00 -1.26 -4.51 117.00 114.45 1a3x n LEU 495 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 56.01 55.86 1a3x n LEU 495 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 43.42 43.46 1a3x n LEU 495 CO 0.00 0.00 0.22 1.67 0.00 0.00 0.00 177.39 179.28 1a3x n GLN 496 N 0.00 0.76 -0.55 1.96 -0.06 -0.55 -4.94 117.38 114.00 1a3x n GLN 496 Ca 0.00 -2.25 -0.02 0.00 -2.00 0.00 0.00 57.00 52.73 1a3x n GLN 496 Cb 0.00 -0.09 -0.02 0.00 -4.06 0.00 0.00 30.24 26.07 1a3x n GLN 496 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 1a3x n VAL 497 N -1.80 0.00 -0.60 1.69 3.14 -1.26 -3.43 118.33 116.07 1a3x n VAL 497 Ca 0.09 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.17 1a3x n VAL 497 Cb 0.43 0.14 0.27 0.00 -1.06 0.00 0.00 33.84 33.62 1a3x n VAL 497 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1a3x s SER 498 N -0.28 -0.34 0.48 6.55 0.15 -1.21 -4.66 113.70 114.39 1a3x s SER 498 Ca 0.00 0.84 0.08 0.00 0.70 0.00 0.00 55.95 57.57 1a3x s SER 498 Cb 0.00 -1.20 0.02 0.00 -1.71 0.00 0.00 66.02 63.13 1a3x s SER 498 CO 0.00 -4.92 0.49 -0.89 1.20 0.00 0.00 173.24 169.12 1a3x s THR 499 N -2.50 2.37 -2.62 6.45 2.01 -1.26 -2.49 115.64 117.60 1a3x s THR 499 Ca 0.69 -1.27 0.27 0.00 0.31 0.00 0.00 61.69 61.70 1a3x s THR 499 Cb -0.13 -2.64 0.46 0.00 0.01 0.00 0.00 72.50 70.20 1a3x s THR 499 CO 0.58 0.00 1.63 0.52 -0.69 0.00 0.00 174.62 176.66