#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w3h n PRO 0 N 0.00 0.00 0.00 1.43 -0.02 -1.26 -5.06 135.00 130.09 1w3h n PRO 0 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1w3h n PRO 0 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1w3h n PRO 0 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1w3h n GLY 1 N 0.00 -0.42 0.27 -1.23 0.00 -1.26 -4.57 105.19 97.98 1w3h n GLY 1 Ca 0.00 -1.38 0.04 0.00 0.00 0.00 0.00 46.02 44.68 1w3h n GLY 1 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1w3h h LEU 2 N 0.00 0.33 -1.60 0.99 3.38 -1.78 -2.49 115.31 114.14 1w3h h LEU 2 Ca 0.00 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1w3h h LEU 2 Cb 0.00 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1w3h h LEU 2 CO 0.00 0.15 0.29 0.00 0.09 0.00 0.00 178.44 178.96 1w3h h ALA 3 N 1.51 1.74 0.00 1.53 0.00 -1.45 -1.51 119.26 121.08 1w3h h ALA 3 Ca 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1w3h h ALA 3 Cb 0.55 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1w3h h ALA 3 CO -0.36 0.23 0.00 0.43 0.00 0.00 0.00 179.25 179.55 1w3h n SER 4 N -4.48 0.64 -0.48 0.00 7.64 -0.94 -2.63 113.62 113.38 1w3h n SER 4 Ca 0.04 0.69 0.13 0.00 1.01 0.00 0.00 58.87 60.74 1w3h n SER 4 Cb 0.09 -0.81 0.50 0.00 -1.01 0.00 0.00 64.21 62.97 1w3h n SER 4 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1w3h n LEU 5 N -2.24 1.47 -4.16 -3.43 4.77 -0.57 -4.95 117.00 107.89 1w3h n LEU 5 Ca 0.01 -0.53 -0.10 0.00 -0.03 0.00 0.00 56.01 55.36 1w3h n LEU 5 Cb 0.18 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.13 1w3h n LEU 5 CO 0.17 0.27 -0.35 0.00 -1.33 0.00 0.00 177.39 176.14 1w3h s ALA 6 N -1.94 0.94 -0.25 -1.18 0.00 -1.08 -4.78 121.76 113.48 1w3h s ALA 6 Ca 0.37 -1.39 0.11 0.00 0.00 0.00 0.00 51.96 51.05 1w3h s ALA 6 Cb 0.20 0.38 0.47 0.00 0.00 0.00 0.00 23.12 24.18 1w3h s ALA 6 CO 0.31 -0.32 1.38 -0.25 0.00 0.00 0.00 175.76 176.88 1w3h n ASP 7 N -0.06 2.48 -4.09 0.00 8.00 -1.26 -4.97 116.55 116.65 1w3h n ASP 7 Ca -0.10 -3.65 -0.08 0.00 0.71 0.00 0.00 54.79 51.67 1w3h n ASP 7 Cb 0.62 -0.58 -0.10 0.00 -0.02 0.00 0.00 41.12 41.03 1w3h n ASP 7 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1w3h s PHE 8 N -3.16 0.57 0.30 1.24 -0.12 -1.26 -5.07 117.98 110.48 1w3h s PHE 8 Ca 0.42 -0.96 -0.29 0.00 -0.05 0.00 0.00 56.93 56.05 1w3h s PHE 8 Cb 0.38 -0.39 -0.13 0.00 -0.63 0.00 0.00 43.02 42.24 1w3h s PHE 8 CO -0.00 -0.30 1.17 -2.30 -0.05 0.00 0.00 175.22 173.74 1w3h n PRO 9 N 0.29 1.73 -4.04 1.99 -0.02 -1.26 -4.88 135.00 128.81 1w3h n PRO 9 Ca -0.15 0.61 -0.32 0.00 -2.02 0.00 0.00 63.50 61.62 1w3h n PRO 9 Cb 0.60 -2.10 -0.15 0.00 -0.02 0.00 0.00 33.50 31.83 1w3h n PRO 9 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1w3h s ILE 10 N -0.94 2.29 0.36 4.25 -1.09 -1.26 -1.37 121.20 123.44 1w3h s ILE 10 Ca 0.59 -1.85 0.08 0.00 -2.23 0.00 0.00 60.65 57.24 1w3h s ILE 10 Cb -0.65 -2.46 -0.04 0.00 -1.58 0.00 0.00 42.46 37.73 1w3h s ILE 10 CO 0.60 -0.23 0.14 -0.83 -1.23 0.00 0.00 174.94 173.39 1w3h s GLY 11 N 1.07 2.04 -0.03 6.18 0.00 -0.08 -1.13 107.32 115.37 1w3h s GLY 11 Ca -0.02 -1.90 -0.05 0.00 0.00 0.00 0.00 44.72 42.75 1w3h s GLY 11 CO -0.06 -1.80 0.11 0.54 0.00 0.00 0.00 173.10 171.89 1w3h s VAL 12 N -2.47 0.03 0.08 1.40 0.11 -0.90 -1.48 120.40 117.17 1w3h s VAL 12 Ca 0.38 -0.24 -0.27 0.00 -2.93 0.00 0.00 61.98 58.92 1w3h s VAL 12 Cb -0.01 -0.25 -0.06 0.00 -1.53 0.00 0.00 36.38 34.54 1w3h s VAL 12 CO 0.22 -0.13 0.83 0.00 -3.33 0.00 0.00 175.10 172.69 1w3h s ALA 13 N -0.41 3.33 0.05 1.54 0.00 -0.85 -1.56 121.76 123.87 1w3h s ALA 13 Ca -0.05 0.39 0.09 0.00 0.00 0.00 0.00 51.96 52.39 1w3h s ALA 13 Cb -0.03 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 1w3h s ALA 13 CO 0.00 0.05 -0.26 0.14 0.00 0.00 0.00 175.76 175.70 1w3h s VAL 14 N -0.13 2.10 0.29 0.00 -7.23 -0.08 -3.58 120.40 111.76 1w3h s VAL 14 Ca 0.41 -1.40 -0.13 0.00 -1.81 0.00 0.00 61.98 59.05 1w3h s VAL 14 Cb -0.22 -1.80 -0.08 0.00 0.56 0.00 0.00 36.38 34.84 1w3h s VAL 14 CO 0.25 0.33 0.67 0.00 -0.31 0.00 0.00 175.10 176.04 1w3h s ALA 15 N -0.82 3.42 -0.23 1.32 0.00 -1.26 -1.35 121.76 122.84 1w3h s ALA 15 Ca 0.11 -0.09 0.10 0.00 0.00 0.00 0.00 51.96 52.09 1w3h s ALA 15 Cb -0.10 -2.64 0.30 0.00 0.00 0.00 0.00 23.12 20.68 1w3h s ALA 15 CO 0.02 0.39 1.35 0.00 0.00 0.00 0.00 175.76 177.52 1w3h n ALA 16 N -0.31 3.12 -1.79 0.00 0.00 -1.26 -0.02 120.51 120.25 1w3h n ALA 16 Ca 0.02 -1.07 0.06 0.00 0.00 0.00 0.00 53.44 52.45 1w3h n ALA 16 Cb 0.53 -0.68 0.15 0.00 0.00 0.00 0.00 19.45 19.45 1w3h n ALA 16 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1w3h n SER 17 N -0.98 1.54 0.00 0.00 7.64 -1.26 -4.99 113.62 115.57 1w3h n SER 17 Ca -0.18 -3.31 0.00 0.00 1.01 0.00 0.00 58.87 56.39 1w3h n SER 17 Cb 0.83 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 1w3h n SER 17 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1w3h n GLY 18 N -0.72 0.69 0.00 0.23 0.00 -1.26 -5.04 105.19 99.10 1w3h n GLY 18 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1w3h n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w3h n GLY 19 N -2.54 0.74 0.40 -0.02 0.00 -1.26 -4.93 105.19 97.57 1w3h n GLY 19 Ca 0.00 -1.94 0.19 0.00 0.00 0.00 0.00 46.02 44.27 1w3h n GLY 19 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1w3h h ASN 20 N 0.00 0.29 0.07 1.61 2.35 -2.00 -2.44 115.58 115.46 1w3h h ASN 20 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1w3h h ASN 20 Cb 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1w3h h ASN 20 CO 0.00 0.13 -0.13 0.00 -1.65 0.00 0.00 177.43 175.79 1w3h n ALA 21 N -2.56 2.82 -1.67 -0.83 0.00 -1.26 -4.79 120.51 112.22 1w3h n ALA 21 Ca 0.16 -0.47 -0.43 0.00 0.00 0.00 0.00 53.44 52.70 1w3h n ALA 21 Cb 0.65 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 1w3h n ALA 21 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1w3h n ASP 22 N -0.01 4.10 0.21 0.00 -0.08 -0.92 -4.16 116.55 115.68 1w3h n ASP 22 Ca 0.15 0.92 0.06 0.00 -1.51 0.00 0.00 54.79 54.41 1w3h n ASP 22 Cb 0.39 -1.52 0.53 0.00 2.34 0.00 0.00 41.12 42.86 1w3h n ASP 22 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1w3h h ILE 23 N 5.53 1.10 0.00 5.18 6.09 -0.78 -2.13 117.51 132.49 1w3h h ILE 23 Ca -0.49 -0.43 -0.07 0.00 -1.37 0.00 0.00 64.86 62.50 1w3h h ILE 23 Cb 1.24 1.17 -0.01 0.00 0.47 0.00 0.00 36.82 39.69 1w3h h ILE 23 CO 0.94 0.13 -0.31 -0.26 -3.07 0.00 0.00 178.15 175.58 1w3h h PHE 24 N 0.06 0.00 0.00 2.19 0.04 -1.89 -3.31 116.94 114.03 1w3h h PHE 24 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1w3h h PHE 24 Cb 0.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.36 1w3h h PHE 24 CO 0.00 0.31 0.00 0.25 -0.60 0.00 0.00 178.31 178.27 1w3h n THR 25 N -4.00 0.41 -3.80 -1.55 -2.24 -1.03 -4.88 114.28 97.19 1w3h n THR 25 Ca -0.02 -0.68 -0.35 0.00 -2.27 0.00 0.00 64.05 60.73 1w3h n THR 25 Cb 0.37 0.82 -0.11 0.00 -2.10 0.00 0.00 70.33 69.31 1w3h n THR 25 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1w3h s SER 26 N -0.41 5.07 0.31 3.42 0.15 -0.83 -4.97 113.70 116.45 1w3h s SER 26 Ca 0.00 -2.53 0.04 0.00 0.70 0.00 0.00 55.95 54.16 1w3h s SER 26 Cb 0.00 -1.79 0.64 0.00 -1.71 0.00 0.00 66.02 63.15 1w3h s SER 26 CO 0.00 -0.41 1.88 0.28 1.20 0.00 0.00 173.24 176.18 1w3h h SER 27 N 7.36 0.83 -0.62 5.45 0.02 -1.90 -1.71 113.55 122.98 1w3h h SER 27 Ca -0.07 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1w3h h SER 27 Cb 0.98 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.35 1w3h h SER 27 CO 0.69 0.47 0.33 0.00 -1.14 0.00 0.00 176.83 177.18 1w3h h ALA 28 N 1.55 0.80 -0.37 3.77 0.00 -1.97 -0.54 119.26 122.50 1w3h h ALA 28 Ca 0.44 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 1w3h h ALA 28 Cb 0.46 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1w3h h ALA 28 CO -0.20 0.33 -0.21 0.00 0.00 0.00 0.00 179.25 179.17 1w3h h ARG 29 N 0.85 0.80 -0.53 0.00 3.08 -1.81 -2.59 114.38 114.17 1w3h h ARG 29 Ca 0.22 -0.36 0.08 0.00 0.07 0.00 0.00 59.98 59.98 1w3h h ARG 29 Cb 0.06 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.03 1w3h h ARG 29 CO -0.03 0.99 0.18 1.96 -1.07 0.00 0.00 179.97 181.99 1w3h h GLN 30 N 0.60 0.34 -0.78 0.04 4.20 -0.90 -0.79 115.11 117.81 1w3h h GLN 30 Ca 0.08 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1w3h h GLN 30 Cb 0.77 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.43 1w3h h GLN 30 CO 0.06 0.22 0.43 -0.91 -0.67 0.00 0.00 178.83 177.97 1w3h h ASN 31 N 0.35 0.97 -0.31 1.46 2.35 -0.96 0.68 115.58 120.11 1w3h h ASN 31 Ca 0.26 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 1w3h h ASN 31 Cb 0.30 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1w3h h ASN 31 CO -0.27 0.78 0.11 0.40 -1.65 0.00 0.00 177.43 176.80 1w3h h ILE 32 N 1.09 1.19 -0.28 2.81 2.04 -1.06 -0.66 117.51 122.65 1w3h h ILE 32 Ca 0.28 -0.60 0.02 0.00 1.00 0.00 0.00 64.86 65.56 1w3h h ILE 32 Cb 0.02 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1w3h h ILE 32 CO -0.05 0.21 0.12 0.58 0.00 0.00 0.00 178.15 179.01 1w3h h VAL 33 N 0.35 0.97 -0.57 1.67 2.07 -0.11 -1.03 116.25 119.60 1w3h h VAL 33 Ca 0.10 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1w3h h VAL 33 Cb 0.21 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1w3h h VAL 33 CO -0.01 0.05 0.19 -0.09 0.02 0.00 0.00 177.57 177.73 1w3h h ARG 34 N 0.27 0.85 -0.18 1.57 2.43 -0.84 -1.40 114.38 117.09 1w3h h ARG 34 Ca 0.12 -0.15 -0.18 0.00 -0.81 0.00 0.00 59.98 58.96 1w3h h ARG 34 Cb 0.06 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1w3h h ARG 34 CO -0.10 0.73 -0.63 0.00 -1.51 0.00 0.00 179.97 178.46 1w3h h ALA 35 N 1.38 0.57 0.00 2.80 0.00 -0.89 -3.41 119.26 119.70 1w3h h ALA 35 Ca 0.19 -0.55 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 1w3h h ALA 35 Cb 0.22 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1w3h h ALA 35 CO -0.01 0.70 -1.39 0.39 0.00 0.00 0.00 179.25 178.94 1w3h n GLU 36 N -3.94 2.65 -4.48 0.00 -0.58 -0.41 -4.12 120.64 109.77 1w3h n GLU 36 Ca -0.04 -0.01 -0.25 0.00 -0.42 0.00 0.00 57.16 56.44 1w3h n GLU 36 Cb 0.66 -1.15 -0.10 0.00 -0.57 0.00 0.00 31.44 30.27 1w3h n GLU 36 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1w3h s PHE 37 N -2.18 2.40 -0.03 -0.32 0.08 -0.54 -1.14 117.98 116.25 1w3h s PHE 37 Ca -0.03 -0.43 0.04 0.00 0.12 0.00 0.00 56.93 56.64 1w3h s PHE 37 Cb 0.02 -1.27 0.06 0.00 -0.57 0.00 0.00 43.02 41.26 1w3h s PHE 37 CO 0.25 0.61 0.96 0.27 -0.10 0.00 0.00 175.22 177.21 1w3h n ASN 38 N -0.77 0.63 -3.75 1.36 0.23 -0.28 -4.73 115.26 107.95 1w3h n ASN 38 Ca -0.05 -2.10 -0.13 0.00 -0.53 0.00 0.00 54.58 51.76 1w3h n ASN 38 Cb 0.62 -0.21 -0.09 0.00 -2.08 0.00 0.00 39.78 38.02 1w3h n ASN 38 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 1w3h s GLN 39 N -0.69 0.62 0.18 -3.83 0.74 -1.17 -1.33 119.66 114.18 1w3h s GLN 39 Ca 0.07 -0.02 0.10 0.00 0.05 0.00 0.00 55.36 55.56 1w3h s GLN 39 Cb 0.06 0.28 -0.04 0.00 1.10 0.00 0.00 33.01 34.41 1w3h s GLN 39 CO 0.01 -0.16 -0.22 0.96 -0.55 0.00 0.00 175.29 175.33 1w3h s ILE 40 N -0.98 2.15 -0.04 -2.34 -4.36 -0.14 -2.11 121.20 113.38 1w3h s ILE 40 Ca -0.10 -1.96 0.07 0.00 -0.26 0.00 0.00 60.65 58.40 1w3h s ILE 40 Cb -0.04 -2.00 -0.01 0.00 1.25 0.00 0.00 42.46 41.65 1w3h s ILE 40 CO 0.04 -0.16 -0.25 -0.89 0.24 0.00 0.00 174.94 173.91 1w3h s THR 41 N -1.73 2.01 -0.11 8.37 2.01 -0.60 -1.38 115.64 124.21 1w3h s THR 41 Ca 0.18 -1.06 -0.29 0.00 0.31 0.00 0.00 61.69 60.83 1w3h s THR 41 Cb -0.07 -1.68 -0.05 0.00 0.01 0.00 0.00 72.50 70.70 1w3h s THR 41 CO 0.08 0.56 1.73 0.00 -0.69 0.00 0.00 174.62 176.31 1w3h s ALA 42 N -0.33 3.42 0.27 7.40 0.00 -1.26 -0.91 121.76 130.36 1w3h s ALA 42 Ca 0.02 0.82 -0.02 0.00 0.00 0.00 0.00 51.96 52.78 1w3h s ALA 42 Cb -0.12 -3.82 0.46 0.00 0.00 0.00 0.00 23.12 19.64 1w3h s ALA 42 CO 0.02 -1.72 1.84 1.49 0.00 0.00 0.00 175.76 177.39 1w3h h GLU 43 N 10.54 0.95 0.00 0.00 4.81 -1.52 -3.41 114.58 125.94 1w3h h GLU 43 Ca -0.39 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1w3h h GLU 43 Cb 1.18 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.35 1w3h h GLU 43 CO 0.97 0.63 -0.14 0.09 -0.73 0.00 0.00 179.01 179.82 1w3h n ASN 44 N -4.63 0.66 0.00 1.04 3.02 -1.26 -4.93 115.26 109.15 1w3h n ASN 44 Ca 0.16 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.75 1w3h n ASN 44 Cb 0.28 0.04 0.23 0.00 -0.61 0.00 0.00 39.78 39.73 1w3h n ASN 44 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1w3h n ILE 45 N -1.15 0.00 -0.28 2.41 -5.35 -1.26 -1.80 119.36 111.93 1w3h n ILE 45 Ca 0.00 0.00 0.05 0.00 -0.27 0.00 0.00 62.75 62.53 1w3h n ILE 45 Cb 0.07 -0.15 0.15 0.00 -1.74 0.00 0.00 39.64 37.96 1w3h n ILE 45 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 1w3h n MET 46 N -0.63 2.87 -1.48 6.28 2.81 -1.26 -4.65 117.12 121.06 1w3h n MET 46 Ca 0.06 -2.09 -0.29 0.00 -1.81 0.00 0.00 57.70 53.56 1w3h n MET 46 Cb 0.03 -1.31 0.12 0.00 -0.71 0.00 0.00 33.22 31.35 1w3h n MET 46 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1w3h s LYS 47 N -1.29 1.43 0.11 0.03 1.02 -0.74 -2.00 119.74 118.30 1w3h s LYS 47 Ca 0.23 0.49 -0.22 0.00 0.02 0.00 0.00 55.97 56.48 1w3h s LYS 47 Cb 0.14 -1.86 -0.09 0.00 -0.52 0.00 0.00 37.83 35.50 1w3h s LYS 47 CO 0.12 -2.04 1.71 0.52 -0.92 0.00 0.00 175.35 174.75 1w3h h MET 48 N -1.39 -0.07 0.00 1.68 2.86 -1.73 -1.73 114.93 114.55 1w3h h MET 48 Ca -0.50 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.12 1w3h h MET 48 Cb 1.30 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.97 1w3h h MET 48 CO 0.60 -0.04 -0.15 0.66 1.06 0.00 0.00 176.91 179.04 1w3h h SER 49 N -0.07 0.00 0.35 1.22 4.64 -0.90 -1.96 113.55 116.84 1w3h h SER 49 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1w3h h SER 49 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1w3h h SER 49 CO -0.09 0.15 0.00 -1.22 -0.87 0.00 0.00 176.83 174.80 1w3h n TYR 50 N -3.34 0.41 1.63 4.77 4.02 -0.65 -2.10 117.16 121.90 1w3h n TYR 50 Ca -0.00 0.18 0.11 0.00 -0.01 0.00 0.00 57.90 58.18 1w3h n TYR 50 Cb 0.37 -0.79 0.52 0.00 -0.02 0.00 0.00 39.34 39.41 1w3h n TYR 50 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1w3h n MET 51 N -1.89 1.37 -4.38 -0.72 2.81 -0.74 -4.81 117.12 108.75 1w3h n MET 51 Ca 0.01 -0.55 -0.20 0.00 -1.81 0.00 0.00 57.70 55.16 1w3h n MET 51 Cb 0.12 -1.37 -0.14 0.00 -0.71 0.00 0.00 33.22 31.12 1w3h n MET 51 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 1w3h s TYR 52 N -1.92 1.09 -0.31 2.03 1.51 -0.89 -0.74 117.35 118.12 1w3h s TYR 52 Ca 0.33 -0.30 0.01 0.00 -1.01 0.00 0.00 57.07 56.10 1w3h s TYR 52 Cb 0.16 -0.67 0.07 0.00 -0.11 0.00 0.00 41.96 41.42 1w3h s TYR 52 CO 0.26 0.01 -0.00 0.45 -1.11 0.00 0.00 175.55 175.16 1w3h s SER 53 N -0.81 4.75 1.39 2.29 0.15 0.15 -4.67 113.70 116.95 1w3h s SER 53 Ca 0.02 -1.63 0.00 0.00 0.70 0.00 0.00 55.95 55.04 1w3h s SER 53 Cb -0.07 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.60 1w3h s SER 53 CO 0.01 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1w3h n GLY 54 N 4.46 2.39 0.02 9.45 0.00 -1.26 -2.00 105.19 118.24 1w3h n GLY 54 Ca -0.08 -0.34 0.10 0.00 0.00 0.00 0.00 46.02 45.71 1w3h n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1w3h n SER 55 N 7.69 0.94 -4.95 1.61 3.41 -1.26 -4.79 113.62 116.27 1w3h n SER 55 Ca 0.00 -0.88 -0.24 0.00 -0.26 0.00 0.00 58.87 57.49 1w3h n SER 55 Cb 0.00 0.84 -0.02 0.00 -0.26 0.00 0.00 64.21 64.77 1w3h n SER 55 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1w3h s ASN 56 N -2.98 6.33 0.33 4.04 0.01 -0.85 -5.09 114.94 116.73 1w3h s ASN 56 Ca 0.09 0.19 -0.26 0.00 -0.71 0.00 0.00 52.86 52.17 1w3h s ASN 56 Cb 0.16 -1.92 -0.10 0.00 0.41 0.00 0.00 41.25 39.81 1w3h s ASN 56 CO 0.83 -0.06 0.97 -0.36 -1.51 0.00 0.00 177.10 176.97 1w3h s PHE 57 N -1.93 3.64 -0.15 2.20 0.08 -1.26 -0.67 117.98 119.87 1w3h s PHE 57 Ca 0.35 1.77 -0.04 0.00 0.12 0.00 0.00 56.93 59.13 1w3h s PHE 57 Cb -0.10 -2.98 0.06 0.00 -0.57 0.00 0.00 43.02 39.43 1w3h s PHE 57 CO 0.30 0.04 0.11 0.45 -0.10 0.00 0.00 175.22 176.02 1w3h s SER 58 N -1.53 1.89 0.00 1.36 0.15 0.08 -4.64 113.70 111.01 1w3h s SER 58 Ca 0.50 -0.38 0.14 0.00 0.70 0.00 0.00 55.95 56.92 1w3h s SER 58 Cb -0.20 -0.08 0.31 0.00 -1.71 0.00 0.00 66.02 64.33 1w3h s SER 58 CO 0.26 -0.32 1.21 0.49 1.20 0.00 0.00 173.24 176.08 1w3h n PHE 59 N 5.29 0.41 -0.10 3.44 3.72 -1.26 -4.16 117.46 124.80 1w3h n PHE 59 Ca -0.06 -0.33 -0.12 0.00 -0.05 0.00 0.00 57.45 56.89 1w3h n PHE 59 Cb 0.49 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.95 1w3h n PHE 59 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1w3h h THR 60 N 2.76 0.05 -0.21 4.37 2.02 -1.95 0.27 112.91 120.23 1w3h h THR 60 Ca 0.00 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 66.99 1w3h h THR 60 Cb 0.74 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1w3h h THR 60 CO 0.00 0.00 -0.63 0.78 0.37 0.00 0.00 175.52 176.04 1w3h h ASN 61 N -0.41 0.83 -0.42 4.18 -0.26 -1.93 -2.10 115.58 115.47 1w3h h ASN 61 Ca 0.09 -0.48 -0.11 0.00 -0.56 0.00 0.00 56.30 55.24 1w3h h ASN 61 Cb 0.61 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.61 1w3h h ASN 61 CO -0.55 1.25 -0.15 0.77 -1.06 0.00 0.00 177.43 177.70 1w3h h SER 62 N 0.54 0.90 -0.95 5.81 4.64 -1.78 -2.64 113.55 120.06 1w3h h SER 62 Ca -0.01 -0.30 0.06 0.00 -0.47 0.00 0.00 61.79 61.07 1w3h h SER 62 Cb 1.22 -0.25 -0.06 0.00 -0.31 0.00 0.00 62.40 63.00 1w3h h SER 62 CO 0.13 1.04 0.60 0.44 -0.87 0.00 0.00 176.83 178.18 1w3h h ASP 63 N 0.80 0.97 -0.76 4.97 3.32 -0.32 -0.01 116.42 125.39 1w3h h ASP 63 Ca 0.12 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1w3h h ASP 63 Cb 0.68 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 1w3h h ASP 63 CO 0.05 0.63 0.42 -0.09 -1.72 0.00 0.00 179.24 178.53 1w3h h ARG 64 N 1.11 1.05 -0.09 3.56 2.43 -1.13 -1.03 114.38 120.28 1w3h h ARG 64 Ca 0.40 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.41 1w3h h ARG 64 Cb 0.14 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1w3h h ARG 64 CO -0.17 0.78 -0.13 1.25 -1.51 0.00 0.00 179.97 180.19 1w3h h LEU 65 N 1.05 0.27 -1.32 3.80 5.85 -1.05 -1.54 115.31 122.36 1w3h h LEU 65 Ca 0.27 -0.53 0.08 0.00 0.84 0.00 0.00 57.88 58.54 1w3h h LEU 65 Cb 0.02 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 1w3h h LEU 65 CO -0.04 0.75 0.52 0.58 -0.34 0.00 0.00 178.44 179.90 1w3h h VAL 66 N -0.20 0.98 -0.37 1.05 2.07 -0.94 -0.82 116.25 118.03 1w3h h VAL 66 Ca 0.01 -0.27 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 1w3h h VAL 66 Cb 0.69 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1w3h h VAL 66 CO 0.03 0.14 -0.28 0.28 0.02 0.00 0.00 177.57 177.76 1w3h h SER 67 N 0.78 0.88 -0.38 0.57 0.02 -1.11 -2.41 113.55 111.89 1w3h h SER 67 Ca 0.36 -0.44 0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1w3h h SER 67 Cb 0.36 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 1w3h h SER 67 CO -0.13 1.14 0.14 -0.25 -1.14 0.00 0.00 176.83 176.59 1w3h h TRP 68 N 0.64 0.26 -0.06 3.45 7.01 -0.81 -2.43 115.95 124.00 1w3h h TRP 68 Ca 0.07 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.13 1w3h h TRP 68 Cb 0.85 -0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 27.80 1w3h h TRP 68 CO 0.06 0.11 -0.31 0.00 -2.79 0.00 0.00 178.44 175.51 1w3h h ALA 69 N 1.24 -0.41 -0.55 2.65 0.00 -1.04 -2.13 119.26 119.03 1w3h h ALA 69 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1w3h h ALA 69 Cb 0.14 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1w3h h ALA 69 CO -0.17 -0.81 0.37 0.00 0.00 0.00 0.00 179.25 178.64 1w3h h ALA 70 N 0.35 2.01 0.00 0.00 0.00 -1.24 -0.73 119.26 119.66 1w3h h ALA 70 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1w3h h ALA 70 Cb 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1w3h h ALA 70 CO -0.30 -0.12 -0.31 1.04 0.00 0.00 0.00 179.25 179.55 1w3h n GLN 71 N -4.47 0.24 -0.59 0.00 6.02 -0.93 -4.02 117.38 113.63 1w3h n GLN 71 Ca 0.08 0.13 0.06 0.00 -0.01 0.00 0.00 57.00 57.26 1w3h n GLN 71 Cb 0.34 -1.71 0.20 0.00 1.02 0.00 0.00 30.24 30.09 1w3h n GLN 71 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1w3h n ASN 72 N -2.08 1.73 -0.38 1.08 3.02 -0.56 -4.98 115.26 113.09 1w3h n ASN 72 Ca 0.05 -3.76 -0.04 0.00 -0.03 0.00 0.00 54.58 50.79 1w3h n ASN 72 Cb 0.42 -0.51 -0.02 0.00 -0.61 0.00 0.00 39.78 39.06 1w3h n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1w3h n GLY 73 N -1.08 0.61 3.27 7.41 0.00 -1.06 -4.63 105.19 109.71 1w3h n GLY 73 Ca 0.18 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 1w3h n GLY 73 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1w3h s GLN 74 N -2.76 2.72 0.91 1.61 -1.52 -0.39 -4.54 119.66 115.68 1w3h s GLN 74 Ca 0.00 -0.88 -0.13 0.00 -1.95 0.00 0.00 55.36 52.40 1w3h s GLN 74 Cb 0.00 -2.23 0.18 0.00 -0.22 0.00 0.00 33.01 30.74 1w3h s GLN 74 CO 0.00 0.33 1.26 0.95 -0.25 0.00 0.00 175.29 177.58 1w3h s THR 75 N -0.03 2.03 -0.06 -0.19 -4.23 -0.44 -3.53 115.64 109.18 1w3h s THR 75 Ca -0.07 -0.09 0.02 0.00 -1.18 0.00 0.00 61.69 60.37 1w3h s THR 75 Cb -0.15 -2.94 0.01 0.00 1.34 0.00 0.00 72.50 70.77 1w3h s THR 75 CO 0.05 0.00 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.33 1w3h s VAL 76 N -3.74 1.03 -0.22 2.29 1.01 -1.26 -0.97 120.40 118.55 1w3h s VAL 76 Ca 0.71 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 62.19 1w3h s VAL 76 Cb -0.05 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1w3h s VAL 76 CO 0.51 0.33 0.06 -2.28 0.00 0.00 0.00 175.10 173.72 1w3h s HIS 77 N 0.62 3.14 -0.17 5.22 5.04 -0.48 0.14 115.29 128.80 1w3h s HIS 77 Ca -0.13 -0.20 -0.07 0.00 -1.54 0.00 0.00 55.06 53.12 1w3h s HIS 77 Cb -0.15 -2.16 -0.04 0.00 0.04 0.00 0.00 32.58 30.27 1w3h s HIS 77 CO 0.03 -0.13 0.08 0.20 -2.34 0.00 0.00 174.74 172.58 1w3h s GLY 78 N 1.04 1.96 -0.36 1.59 0.00 0.03 -4.16 107.32 107.42 1w3h s GLY 78 Ca 0.04 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 44.05 1w3h s GLY 78 CO 0.03 -0.04 0.28 -1.58 0.00 0.00 0.00 173.10 171.79 1w3h s HIS 79 N 0.08 0.28 -0.14 1.90 5.04 -1.26 -0.42 115.29 120.77 1w3h s HIS 79 Ca 0.06 -1.26 -0.29 0.00 -1.54 0.00 0.00 55.06 52.03 1w3h s HIS 79 Cb -0.12 -0.70 0.10 0.00 0.04 0.00 0.00 32.58 31.90 1w3h s HIS 79 CO 0.00 -0.89 0.84 -0.08 -2.34 0.00 0.00 174.74 172.28 1w3h s THR 80 N 1.26 0.00 0.18 0.89 -1.32 -0.85 -3.10 115.64 112.70 1w3h s THR 80 Ca 0.17 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.59 1w3h s THR 80 Cb -0.20 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.77 1w3h s THR 80 CO -0.02 0.00 1.53 -0.07 -2.21 0.00 0.00 174.62 173.85 1w3h h LEU 81 N 3.14 0.79 -6.88 9.08 3.38 -1.45 -3.38 115.31 119.99 1w3h h LEU 81 Ca -0.24 -0.36 -0.34 0.00 0.09 0.00 0.00 57.88 57.03 1w3h h LEU 81 Cb 1.15 -0.22 -0.37 0.00 0.09 0.00 0.00 40.66 41.32 1w3h h LEU 81 CO 0.30 1.10 -0.64 -0.69 0.09 0.00 0.00 178.44 178.59 1w3h s VAL 82 N -4.29 -0.28 -0.04 1.22 1.01 -0.89 -4.86 120.40 112.27 1w3h s VAL 82 Ca -0.09 -0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 1w3h s VAL 82 Cb 0.12 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.89 1w3h s VAL 82 CO 0.85 -0.18 0.24 0.86 0.00 0.00 0.00 175.10 176.88 1w3h s TRP 83 N 2.30 -0.16 0.15 5.22 -0.00 -1.26 -1.62 118.94 123.57 1w3h s TRP 83 Ca 0.06 0.31 0.02 0.00 -0.00 0.00 0.00 56.10 56.49 1w3h s TRP 83 Cb -0.15 0.06 -0.05 0.00 -0.00 0.00 0.00 33.47 33.32 1w3h s TRP 83 CO -0.11 -0.27 1.35 1.12 -0.00 0.00 0.00 176.95 179.04 1w3h h HIS 84 N 4.65 0.29 -2.92 5.86 2.07 -1.90 -3.45 115.15 119.75 1w3h h HIS 84 Ca -0.29 -0.17 -0.56 0.00 -2.85 0.00 0.00 60.37 56.50 1w3h h HIS 84 Cb 1.19 -0.03 0.08 0.00 2.57 0.00 0.00 27.41 31.22 1w3h h HIS 84 CO 0.50 1.01 0.74 -2.30 -3.07 0.00 0.00 177.93 174.81 1w3h n PRO 85 N -3.63 2.34 0.04 5.12 -0.02 -1.26 -4.84 135.00 132.75 1w3h n PRO 85 Ca -0.04 0.83 0.03 0.00 -2.02 0.00 0.00 63.50 62.31 1w3h n PRO 85 Cb 0.84 -2.55 0.41 0.00 -0.02 0.00 0.00 33.50 32.17 1w3h n PRO 85 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1w3h h SER 86 N 4.57 0.40 0.41 2.55 0.02 -1.97 -2.44 113.55 117.10 1w3h h SER 86 Ca -0.46 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.41 1w3h h SER 86 Cb 1.25 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 1w3h h SER 86 CO 0.78 0.37 -0.21 0.10 -1.14 0.00 0.00 176.83 176.73 1w3h h TYR 87 N 0.45 0.00 -0.17 3.45 -0.00 -2.00 -2.69 116.97 116.00 1w3h h TYR 87 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.84 1w3h h TYR 87 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.82 1w3h h TYR 87 CO 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 178.16 178.38 1w3h n GLN 88 N -3.83 2.14 -2.29 0.10 -0.00 -0.93 -4.94 117.38 107.62 1w3h n GLN 88 Ca -0.02 -1.62 -0.41 0.00 -0.00 0.00 0.00 57.00 54.95 1w3h n GLN 88 Cb 0.31 -1.17 -0.03 0.00 -0.00 0.00 0.00 30.24 29.35 1w3h n GLN 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1w3h s LEU 89 N -0.90 4.42 0.93 2.61 1.43 -1.02 -0.25 118.68 125.90 1w3h s LEU 89 Ca 0.14 2.30 -0.11 0.00 -1.03 0.00 0.00 54.13 55.43 1w3h s LEU 89 Cb 0.08 -3.60 0.15 0.00 0.03 0.00 0.00 46.19 42.85 1w3h s LEU 89 CO 0.10 -0.48 1.11 -2.84 0.23 0.00 0.00 176.35 174.48 1w3h s PRO 90 N 0.06 0.92 0.53 1.29 0.02 -1.26 -4.69 135.00 131.88 1w3h s PRO 90 Ca 0.56 1.30 0.32 0.00 0.02 0.00 0.00 61.00 63.20 1w3h s PRO 90 Cb -0.34 -1.73 1.38 0.00 0.02 0.00 0.00 34.50 33.82 1w3h s PRO 90 CO 0.36 -2.61 2.00 -0.91 -0.33 0.00 0.00 177.00 175.50 1w3h h ASN 91 N -1.85 0.00 1.08 2.53 2.35 -1.95 -0.71 115.58 117.03 1w3h h ASN 91 Ca -0.47 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.27 1w3h h ASN 91 Cb 1.27 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.64 1w3h h ASN 91 CO 0.46 0.07 -0.07 4.11 -1.65 0.00 0.00 177.43 180.35 1w3h h TRP 92 N 0.00 0.00 -1.42 1.19 5.08 -1.95 -3.38 115.95 115.48 1w3h h TRP 92 Ca -0.00 0.00 -0.74 0.00 1.08 0.00 0.00 58.89 59.23 1w3h h TRP 92 Cb 0.49 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 26.51 1w3h h TRP 92 CO 0.00 0.07 1.96 0.00 -1.28 0.00 0.00 178.44 179.19 1w3h n ALA 93 N -2.13 4.76 -2.93 0.11 0.00 -0.27 -4.73 120.51 115.31 1w3h n ALA 93 Ca 0.01 -4.20 -0.10 0.00 0.00 0.00 0.00 53.44 49.14 1w3h n ALA 93 Cb 0.36 -3.13 -0.12 0.00 0.00 0.00 0.00 19.45 16.56 1w3h n ALA 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1w3h s SER 94 N 2.05 0.15 0.29 0.00 0.15 -1.26 -4.88 113.70 110.21 1w3h s SER 94 Ca 0.43 -0.30 0.21 0.00 0.70 0.00 0.00 55.95 56.98 1w3h s SER 94 Cb 0.06 0.06 1.08 0.00 -1.71 0.00 0.00 66.02 65.50 1w3h s SER 94 CO -0.00 -0.18 1.63 0.47 1.20 0.00 0.00 173.24 176.36 1w3h n ASP 95 N 2.19 0.54 -0.77 5.45 8.00 -1.26 -1.97 116.55 128.73 1w3h n ASP 95 Ca -0.19 0.73 0.12 0.00 0.71 0.00 0.00 54.79 56.17 1w3h n ASP 95 Cb 0.57 -0.81 0.19 0.00 -0.02 0.00 0.00 41.12 41.05 1w3h n ASP 95 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1w3h n SER 96 N -2.21 2.48 -4.55 -2.24 7.64 -1.26 -4.88 113.62 108.61 1w3h n SER 96 Ca -0.01 -1.79 -0.42 0.00 1.01 0.00 0.00 58.87 57.66 1w3h n SER 96 Cb 0.06 0.06 -0.07 0.00 -1.01 0.00 0.00 64.21 63.25 1w3h n SER 96 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1w3h s ASN 97 N -2.08 6.34 0.49 6.43 2.47 -0.83 -4.92 114.94 122.83 1w3h s ASN 97 Ca 0.29 -0.08 0.26 0.00 0.42 0.00 0.00 52.86 53.75 1w3h s ASN 97 Cb 0.20 -2.29 1.26 0.00 -1.45 0.00 0.00 41.25 38.97 1w3h s ASN 97 CO 0.35 -0.56 1.98 0.00 -3.72 0.00 0.00 177.10 175.15 1w3h h ALA 98 N 8.55 1.19 -0.81 1.71 0.00 -1.90 -3.00 119.26 125.00 1w3h h ALA 98 Ca -0.27 -0.15 -0.36 0.00 0.00 0.00 0.00 54.91 54.13 1w3h h ALA 98 Cb 1.12 -0.03 -0.21 0.00 0.00 0.00 0.00 17.79 18.67 1w3h h ALA 98 CO 0.81 0.21 0.42 0.09 0.00 0.00 0.00 179.25 180.77 1w3h n ASN 99 N -3.57 3.97 -0.25 0.00 3.02 -1.26 -4.70 115.26 112.47 1w3h n ASN 99 Ca -0.01 -3.48 0.04 0.00 -0.03 0.00 0.00 54.58 51.10 1w3h n ASN 99 Cb 0.31 -0.77 0.18 0.00 -0.61 0.00 0.00 39.78 38.88 1w3h n ASN 99 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1w3h h PHE 100 N 1.60 0.54 -0.23 3.10 3.04 -1.83 -1.16 116.94 122.00 1w3h h PHE 100 Ca 0.44 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.43 1w3h h PHE 100 Cb 2.50 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 40.87 1w3h h PHE 100 CO 1.39 0.10 0.15 0.00 -2.02 0.00 0.00 178.31 177.93 1w3h h ARG 101 N 0.48 0.31 -0.03 1.11 2.47 -1.89 0.72 114.38 117.55 1w3h h ARG 101 Ca 0.40 -0.02 -0.12 0.00 -1.26 0.00 0.00 59.98 58.98 1w3h h ARG 101 Cb 0.58 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.81 1w3h h ARG 101 CO -0.37 0.22 -0.53 1.96 0.56 0.00 0.00 179.97 181.80 1w3h h GLN 102 N 0.31 0.08 -0.10 0.04 4.20 -1.71 -1.15 115.11 116.79 1w3h h GLN 102 Ca 0.08 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.61 1w3h h GLN 102 Cb -0.02 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1w3h h GLN 102 CO -0.02 0.60 -0.54 -0.44 -0.67 0.00 0.00 178.83 177.76 1w3h h ASP 103 N 0.07 0.31 0.03 1.46 3.32 -0.96 -1.66 116.42 118.99 1w3h h ASP 103 Ca -0.00 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 1w3h h ASP 103 Cb 0.96 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1w3h h ASP 103 CO 0.07 0.79 -0.01 0.15 -1.72 0.00 0.00 179.24 178.52 1w3h h PHE 104 N 0.22 -0.04 -0.23 4.55 3.04 -0.62 -0.81 116.94 123.05 1w3h h PHE 104 Ca 0.00 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.00 1w3h h PHE 104 Cb 1.02 0.01 -0.05 0.00 2.56 0.00 0.00 35.95 39.49 1w3h h PHE 104 CO 0.02 0.26 -0.09 0.00 -2.02 0.00 0.00 178.31 176.48 1w3h h ALA 105 N 0.63 0.11 -0.88 2.41 0.00 -1.25 -2.11 119.26 118.17 1w3h h ALA 105 Ca -0.00 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1w3h h ALA 105 Cb 0.31 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1w3h h ALA 105 CO 0.01 -0.51 0.57 -0.09 0.00 0.00 0.00 179.25 179.23 1w3h h ARG 106 N -0.05 0.98 0.46 0.00 2.43 -1.22 -0.57 114.38 116.42 1w3h h ARG 106 Ca 0.12 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1w3h h ARG 106 Cb 0.23 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1w3h h ARG 106 CO -0.27 0.65 -0.22 1.25 -1.51 0.00 0.00 179.97 179.87 1w3h h HIS 107 N 1.01 -0.57 -0.21 2.20 2.76 -0.51 -0.03 115.15 119.80 1w3h h HIS 107 Ca 0.37 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.46 1w3h h HIS 107 Cb 0.16 0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.31 1w3h h HIS 107 CO -0.00 -0.34 -0.12 0.82 -1.30 0.00 0.00 177.93 176.99 1w3h h ILE 108 N -0.64 1.31 -0.55 6.26 2.04 -1.11 0.45 117.51 125.26 1w3h h ILE 108 Ca -0.06 -1.21 0.06 0.00 1.00 0.00 0.00 64.86 64.65 1w3h h ILE 108 Cb 0.48 1.66 -0.05 0.00 -0.74 0.00 0.00 36.82 38.17 1w3h h ILE 108 CO 0.10 0.37 0.27 0.44 0.00 0.00 0.00 178.15 179.33 1w3h h ASP 109 N 0.14 0.36 0.06 1.72 5.19 -1.16 -1.43 116.42 121.30 1w3h h ASP 109 Ca 0.04 0.04 -0.19 0.00 -0.62 0.00 0.00 57.03 56.31 1w3h h ASP 109 Cb 0.62 -0.02 0.02 0.00 0.18 0.00 0.00 39.33 40.13 1w3h h ASP 109 CO 0.03 0.24 -0.77 0.74 -3.12 0.00 0.00 179.24 176.36 1w3h h THR 110 N 0.51 1.43 -0.09 0.35 2.02 -0.72 -2.85 112.91 113.55 1w3h h THR 110 Ca 0.25 -2.27 -0.03 0.00 0.77 0.00 0.00 66.41 65.13 1w3h h THR 110 Cb 0.20 2.78 -0.00 0.00 -1.74 0.00 0.00 68.15 69.39 1w3h h THR 110 CO -0.20 0.66 -0.07 0.58 0.37 0.00 0.00 175.52 176.87 1w3h h VAL 111 N -0.11 1.35 -0.60 3.16 2.07 -0.87 -1.14 116.25 120.12 1w3h h VAL 111 Ca -0.11 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1w3h h VAL 111 Cb 1.51 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 33.20 1w3h h VAL 111 CO 0.15 0.33 0.39 0.00 0.02 0.00 0.00 177.57 178.46 1w3h h ALA 112 N 0.59 0.76 -0.77 1.67 0.00 -1.39 -2.28 119.26 117.84 1w3h h ALA 112 Ca 0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1w3h h ALA 112 Cb 0.56 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1w3h h ALA 112 CO 0.02 0.21 0.35 0.00 0.00 0.00 0.00 179.25 179.82 1w3h h ALA 113 N 1.21 1.16 -0.88 0.00 0.00 -1.50 -2.82 119.26 116.42 1w3h h ALA 113 Ca 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1w3h h ALA 113 Cb -0.08 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.37 1w3h h ALA 113 CO -0.05 0.63 0.49 1.25 0.00 0.00 0.00 179.25 181.57 1w3h h HIS 114 N 1.10 1.21 -0.38 0.00 6.17 -0.63 -2.80 115.15 119.82 1w3h h HIS 114 Ca 0.26 -0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.32 1w3h h HIS 114 Cb 0.15 -0.39 0.00 0.00 2.52 0.00 0.00 27.41 29.69 1w3h h HIS 114 CO 0.02 0.83 0.00 1.19 0.71 0.00 0.00 177.93 180.68 1w3h n PHE 115 N -4.33 0.50 -1.68 5.26 3.72 -1.03 -4.96 117.46 114.93 1w3h n PHE 115 Ca 0.09 -0.25 -0.45 0.00 -0.05 0.00 0.00 57.45 56.79 1w3h n PHE 115 Cb 0.10 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.60 1w3h n PHE 115 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1w3h n ALA 116 N 1.01 1.63 0.00 4.37 0.00 -1.06 -1.04 120.51 125.42 1w3h n ALA 116 Ca 0.18 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1w3h n ALA 116 Cb 0.47 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.46 1w3h n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1w3h n GLY 117 N 3.91 1.60 0.00 0.00 0.00 -1.26 -4.82 105.19 104.61 1w3h n GLY 117 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 1w3h n GLY 117 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1w3h n GLN 118 N -2.00 5.22 -4.52 1.61 6.02 -0.21 -4.99 117.38 118.51 1w3h n GLN 118 Ca 0.00 -0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 1w3h n GLN 118 Cb 0.00 -0.72 -0.13 0.00 1.02 0.00 0.00 30.24 30.41 1w3h n GLN 118 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1w3h s VAL 119 N -1.45 2.02 -0.07 5.09 0.11 -1.02 -4.45 120.40 120.64 1w3h s VAL 119 Ca 0.01 -1.54 0.14 0.00 -2.93 0.00 0.00 61.98 57.66 1w3h s VAL 119 Cb 0.03 -1.78 -0.21 0.00 -1.53 0.00 0.00 36.38 32.89 1w3h s VAL 119 CO 0.16 0.14 0.68 1.17 -3.33 0.00 0.00 175.10 173.92 1w3h n LYS 120 N 1.28 0.63 -3.64 1.54 4.81 0.12 -4.82 118.16 118.09 1w3h n LYS 120 Ca -0.18 0.27 -0.08 0.00 -0.87 0.00 0.00 58.31 57.45 1w3h n LYS 120 Cb 0.53 -1.79 -0.02 0.00 0.02 0.00 0.00 35.03 33.77 1w3h n LYS 120 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1w3h s SER 121 N -5.98 -0.36 -0.00 3.14 1.04 -1.22 -2.24 113.70 108.07 1w3h s SER 121 Ca -0.04 -0.28 0.02 0.00 0.48 0.00 0.00 55.95 56.12 1w3h s SER 121 Cb 0.08 0.59 -0.00 0.00 0.10 0.00 0.00 66.02 66.79 1w3h s SER 121 CO 0.82 -1.03 -0.05 0.26 0.98 0.00 0.00 173.24 174.21 1w3h s TRP 122 N -3.63 0.48 -0.63 5.02 0.52 -0.50 -0.79 118.94 119.41 1w3h s TRP 122 Ca 0.07 -0.11 -0.27 0.00 0.02 0.00 0.00 56.10 55.81 1w3h s TRP 122 Cb -0.03 -0.31 0.01 0.00 -1.15 0.00 0.00 33.47 32.00 1w3h s TRP 122 CO -0.03 -0.01 1.51 -0.51 0.02 0.00 0.00 176.95 177.93 1w3h s ASP 123 N -0.19 5.88 -0.03 2.95 1.01 0.45 -0.97 116.67 125.76 1w3h s ASP 123 Ca 0.01 0.09 -0.23 0.00 0.71 0.00 0.00 52.55 53.13 1w3h s ASP 123 Cb -0.02 -2.55 -0.23 0.00 1.01 0.00 0.00 42.92 41.13 1w3h s ASP 123 CO -0.00 -1.95 1.06 0.58 0.21 0.00 0.00 175.17 175.08 1w3h h VAL 124 N 6.42 1.51 -3.39 -1.27 2.07 -1.26 -1.92 116.25 118.41 1w3h h VAL 124 Ca -0.27 -1.93 -0.53 0.00 0.82 0.00 0.00 66.70 64.79 1w3h h VAL 124 Cb 1.10 2.67 -0.34 0.00 -1.52 0.00 0.00 31.29 33.20 1w3h h VAL 124 CO 1.22 0.54 -0.82 -0.69 0.02 0.00 0.00 177.57 177.84 1w3h s VAL 125 N -3.22 1.21 -0.17 2.57 1.01 -1.24 -2.10 120.40 118.46 1w3h s VAL 125 Ca -0.15 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 1w3h s VAL 125 Cb 0.02 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 1w3h s VAL 125 CO 0.76 0.37 -0.04 0.21 0.00 0.00 0.00 175.10 176.40 1w3h s ASN 126 N 0.74 4.63 -0.90 3.32 2.47 -0.64 -1.56 114.94 123.01 1w3h s ASN 126 Ca -0.13 -0.21 -0.03 0.00 0.42 0.00 0.00 52.86 52.91 1w3h s ASN 126 Cb -0.16 -1.77 0.00 0.00 -1.45 0.00 0.00 41.25 37.88 1w3h s ASN 126 CO 0.03 0.11 0.77 -0.62 -3.72 0.00 0.00 177.10 173.67 1w3h n GLU 127 N 3.91 -5.13 0.00 0.43 1.02 -0.08 -4.51 120.64 116.29 1w3h n GLU 127 Ca -0.17 0.60 0.12 0.00 -0.02 0.00 0.00 57.16 57.69 1w3h n GLU 127 Cb 0.52 -4.90 0.54 0.00 -0.02 0.00 0.00 31.44 27.58 1w3h n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1w3h n ALA 128 N -3.67 2.17 -2.45 0.62 0.00 -1.26 -4.84 120.51 111.08 1w3h n ALA 128 Ca -0.12 -0.09 -0.38 0.00 0.00 0.00 0.00 53.44 52.86 1w3h n ALA 128 Cb 0.59 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 1w3h n ALA 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1w3h s LEU 129 N -3.04 4.47 0.47 0.00 1.43 -1.26 -1.30 118.68 119.44 1w3h s LEU 129 Ca 0.12 1.02 -0.24 0.00 -1.03 0.00 0.00 54.13 54.01 1w3h s LEU 129 Cb 0.17 -2.72 -0.08 0.00 0.03 0.00 0.00 46.19 43.59 1w3h s LEU 129 CO 0.47 0.29 1.28 0.33 0.23 0.00 0.00 176.35 178.96 1w3h n PHE 130 N 1.68 2.13 -3.66 0.29 7.35 0.26 -4.33 117.46 121.18 1w3h n PHE 130 Ca -0.12 0.47 -0.14 0.00 -0.76 0.00 0.00 57.45 56.89 1w3h n PHE 130 Cb 0.52 -2.36 -0.14 0.00 0.35 0.00 0.00 39.48 37.85 1w3h n PHE 130 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1w3h s ASP 131 N -0.67 0.48 0.56 -2.13 -1.08 -1.26 -4.88 116.67 107.68 1w3h s ASP 131 Ca 0.65 0.51 0.28 0.00 -0.52 0.00 0.00 52.55 53.47 1w3h s ASP 131 Cb -0.47 0.58 1.63 0.00 -1.46 0.00 0.00 42.92 43.19 1w3h s ASP 131 CO 0.55 -0.24 2.17 0.28 0.52 0.00 0.00 175.17 178.45 1w3h h SER 132 N 8.31 0.00 -0.05 -0.34 0.02 -1.98 0.10 113.55 119.61 1w3h h SER 132 Ca -0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1w3h h SER 132 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1w3h h SER 132 CO 0.14 0.06 0.00 0.00 -1.14 0.00 0.00 176.83 175.88 1w3h n ALA 133 N -2.32 2.59 -3.03 3.77 0.00 -1.26 -4.21 120.51 116.05 1w3h n ALA 133 Ca -0.02 -0.38 -0.16 0.00 0.00 0.00 0.00 53.44 52.88 1w3h n ALA 133 Cb 0.15 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1w3h n ALA 133 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1w3h n ASP 134 N -0.14 -0.42 -3.19 0.00 2.03 0.34 -5.01 116.55 110.16 1w3h n ASP 134 Ca 0.19 -3.16 -0.24 0.00 0.52 0.00 0.00 54.79 52.10 1w3h n ASP 134 Cb 0.26 0.24 -0.07 0.00 -0.72 0.00 0.00 41.12 40.83 1w3h n ASP 134 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1w3h n ASP 135 N 0.62 0.15 0.27 1.67 2.03 -1.15 -4.47 116.55 115.68 1w3h n ASP 135 Ca 0.18 -2.68 0.14 0.00 0.52 0.00 0.00 54.79 52.95 1w3h n ASP 135 Cb 0.65 -0.64 0.79 0.00 -0.72 0.00 0.00 41.12 41.19 1w3h n ASP 135 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1w3h h PRO 136 N 4.04 0.00 -0.01 -0.67 0.13 -1.94 -0.97 132.00 132.58 1w3h h PRO 136 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1w3h h PRO 136 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1w3h h PRO 136 CO 0.46 0.09 -0.22 -0.25 -0.23 0.00 0.00 178.00 177.85 1w3h n ASP 137 N -3.61 1.24 -2.68 1.44 8.00 -1.26 -4.96 116.55 114.72 1w3h n ASP 137 Ca -0.02 -1.08 -0.18 0.00 0.71 0.00 0.00 54.79 54.22 1w3h n ASP 137 Cb 0.21 0.13 0.05 0.00 -0.02 0.00 0.00 41.12 41.49 1w3h n ASP 137 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1w3h n GLY 138 N 1.32 -0.25 0.18 0.44 0.00 -0.37 -4.92 105.19 101.58 1w3h n GLY 138 Ca 0.13 -0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.20 1w3h n GLY 138 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1w3h h ARG 139 N -1.61 0.00 -1.26 1.61 3.08 -1.93 -3.50 114.38 110.77 1w3h h ARG 139 Ca -0.44 0.00 0.14 0.00 0.07 0.00 0.00 59.98 59.76 1w3h h ARG 139 Cb 1.29 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.29 1w3h h ARG 139 CO 0.45 0.42 -0.32 0.41 -1.07 0.00 0.00 179.97 179.85 1w3h n GLY 140 N 0.29 -2.13 3.75 0.04 0.00 -1.26 -4.90 105.19 100.98 1w3h n GLY 140 Ca -0.00 -1.35 -0.40 0.00 0.00 0.00 0.00 46.02 44.26 1w3h n GLY 140 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1w3h s SER 141 N -5.62 7.54 -0.53 1.61 0.15 -1.26 -4.56 113.70 111.03 1w3h s SER 141 Ca 0.00 1.83 -0.05 0.00 0.70 0.00 0.00 55.95 58.43 1w3h s SER 141 Cb 0.00 -2.58 0.14 0.00 -1.71 0.00 0.00 66.02 61.87 1w3h s SER 141 CO 0.00 0.10 0.36 0.00 1.20 0.00 0.00 173.24 174.90 1w3h s ALA 142 N -0.79 3.43 -1.27 5.45 0.00 -0.89 -4.73 121.76 122.96 1w3h s ALA 142 Ca 0.42 -2.84 -0.03 0.00 0.00 0.00 0.00 51.96 49.50 1w3h s ALA 142 Cb -0.24 -2.68 0.02 0.00 0.00 0.00 0.00 23.12 20.22 1w3h s ALA 142 CO 0.30 -1.97 0.24 0.09 0.00 0.00 0.00 175.76 174.42 1w3h n ASN 143 N 4.24 -4.39 0.00 0.00 3.02 -1.26 -1.81 115.26 115.06 1w3h n ASN 143 Ca 0.01 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1w3h n ASN 143 Cb 0.40 -3.65 0.00 0.00 -0.61 0.00 0.00 39.78 35.92 1w3h n ASN 143 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1w3h n GLY 144 N -1.05 3.11 3.82 7.41 0.00 -1.26 -5.05 105.19 112.18 1w3h n GLY 144 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 1w3h n GLY 144 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1w3h s TYR 145 N -2.77 3.70 0.16 1.61 1.51 -0.75 -0.57 117.35 120.23 1w3h s TYR 145 Ca 0.00 1.26 -0.31 0.00 -1.01 0.00 0.00 57.07 57.01 1w3h s TYR 145 Cb 0.00 -2.51 -0.09 0.00 -0.11 0.00 0.00 41.96 39.25 1w3h s TYR 145 CO 0.00 0.45 1.41 0.50 -1.11 0.00 0.00 175.55 176.80 1w3h s ARG 146 N -1.67 4.31 -1.34 -0.62 3.52 -0.42 -2.10 118.95 120.63 1w3h s ARG 146 Ca 0.37 2.15 -0.06 0.00 -0.13 0.00 0.00 55.73 58.06 1w3h s ARG 146 Cb -0.17 -3.20 0.11 0.00 -1.56 0.00 0.00 34.95 30.12 1w3h s ARG 146 CO 0.20 -0.43 2.41 1.04 -0.81 0.00 0.00 175.30 177.72 1w3h n GLN 147 N 3.49 4.55 -1.35 5.12 6.02 -1.26 -4.71 117.38 129.24 1w3h n GLN 147 Ca 0.10 -3.40 -0.30 0.00 -0.01 0.00 0.00 57.00 53.40 1w3h n GLN 147 Cb 0.41 -2.64 0.21 0.00 1.02 0.00 0.00 30.24 29.24 1w3h n GLN 147 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1w3h s SER 148 N 0.47 1.97 0.36 1.08 1.04 -1.26 -4.64 113.70 112.72 1w3h s SER 148 Ca 0.55 0.65 0.07 0.00 0.48 0.00 0.00 55.95 57.70 1w3h s SER 148 Cb 0.18 -0.94 0.77 0.00 0.10 0.00 0.00 66.02 66.13 1w3h s SER 148 CO -0.09 -3.47 1.93 1.62 0.98 0.00 0.00 173.24 174.20 1w3h h VAL 149 N -2.14 0.96 -0.22 5.02 3.04 -1.93 0.16 116.25 121.14 1w3h h VAL 149 Ca -0.47 -0.25 -0.04 0.00 -1.01 0.00 0.00 66.70 64.93 1w3h h VAL 149 Cb 1.29 0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 30.73 1w3h h VAL 149 CO 0.42 0.13 -0.01 -0.26 -1.01 0.00 0.00 177.57 176.84 1w3h h PHE 150 N 0.73 0.44 -0.60 3.17 0.04 -1.96 0.03 116.94 118.81 1w3h h PHE 150 Ca 0.35 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 61.03 1w3h h PHE 150 Cb 0.40 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.41 1w3h h PHE 150 CO -0.00 0.59 0.33 -0.92 -0.60 0.00 0.00 178.31 177.71 1w3h h TYR 151 N 0.16 0.82 -0.33 -0.55 5.03 -1.58 -1.76 116.97 118.75 1w3h h TYR 151 Ca 0.06 -0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.28 1w3h h TYR 151 Cb 0.42 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 38.43 1w3h h TYR 151 CO 0.04 0.59 -0.07 0.00 -1.32 0.00 0.00 178.16 177.40 1w3h h ARG 152 N 0.81 0.64 0.00 1.82 3.08 -0.53 0.30 114.38 120.49 1w3h h ARG 152 Ca 0.21 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1w3h h ARG 152 Cb 0.05 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1w3h h ARG 152 CO -0.03 0.80 0.00 1.96 -1.07 0.00 0.00 179.97 181.63 1w3h h GLN 153 N 0.42 0.00 0.00 0.04 1.08 -0.91 -2.73 115.11 113.01 1w3h h GLN 153 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1w3h h GLN 153 Cb 0.56 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1w3h h GLN 153 CO 0.03 0.00 -1.57 1.19 -0.95 0.00 0.00 178.83 177.53 1w3h n PHE 154 N -2.33 0.20 -3.34 2.96 3.01 -0.67 -4.94 117.46 112.36 1w3h n PHE 154 Ca 0.05 0.06 -0.17 0.00 1.01 0.00 0.00 57.45 58.39 1w3h n PHE 154 Cb 0.39 -0.51 0.08 0.00 -0.01 0.00 0.00 39.48 39.43 1w3h n PHE 154 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1w3h n GLY 155 N 1.29 -0.30 0.00 1.37 0.00 0.04 -4.89 105.19 102.70 1w3h n GLY 155 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1w3h n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w3h n GLY 156 N -1.37 -0.08 0.11 -0.02 0.00 -0.85 -4.92 105.19 98.07 1w3h n GLY 156 Ca -0.16 -1.73 0.07 0.00 0.00 0.00 0.00 46.02 44.19 1w3h n GLY 156 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1w3h n PRO 157 N -1.13 1.14 0.29 1.61 -0.04 -1.26 -4.14 135.00 131.47 1w3h n PRO 157 Ca 0.00 -0.21 0.18 0.00 -0.04 0.00 0.00 63.50 63.43 1w3h n PRO 157 Cb 0.00 -1.22 0.97 0.00 -0.04 0.00 0.00 33.50 33.21 1w3h n PRO 157 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1w3h h GLU 158 N 0.40 0.00 0.00 0.54 4.57 -1.91 -0.84 114.58 117.34 1w3h h GLU 158 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1w3h h GLU 158 Cb 0.09 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1w3h h GLU 158 CO 0.00 0.00 -0.08 0.10 -1.18 0.00 0.00 179.01 177.85 1w3h h TYR 159 N 0.00 0.00 0.15 0.92 -0.00 -1.88 -1.28 116.97 114.87 1w3h h TYR 159 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.75 1w3h h TYR 159 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.91 1w3h h TYR 159 CO 0.00 0.08 -0.07 0.82 -0.00 0.00 0.00 178.16 178.98 1w3h h ILE 160 N 0.00 0.99 -0.50 -0.90 2.04 -1.49 -0.97 117.51 116.68 1w3h h ILE 160 Ca -0.00 -0.92 0.10 0.00 1.00 0.00 0.00 64.86 65.04 1w3h h ILE 160 Cb 0.17 1.53 -0.09 0.00 -0.74 0.00 0.00 36.82 37.69 1w3h h ILE 160 CO 0.01 0.21 -0.11 0.44 0.00 0.00 0.00 178.15 178.69 1w3h h ASP 161 N -0.67 -0.44 -0.43 1.72 5.19 -1.59 -2.42 116.42 117.79 1w3h h ASP 161 Ca -0.02 0.15 -0.08 0.00 -0.62 0.00 0.00 57.03 56.46 1w3h h ASP 161 Cb 0.49 0.30 -0.02 0.00 0.18 0.00 0.00 39.33 40.28 1w3h h ASP 161 CO 0.03 -0.16 0.00 -0.08 -3.12 0.00 0.00 179.24 175.92 1w3h h GLU 162 N 0.01 0.83 -0.69 3.56 4.57 -1.16 -1.88 114.58 119.82 1w3h h GLU 162 Ca 0.24 -0.23 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1w3h h GLU 162 Cb 0.37 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 1w3h h GLU 162 CO -0.51 0.84 0.29 0.00 -1.18 0.00 0.00 179.01 178.45 1w3h h ALA 163 N 1.22 0.89 -0.27 2.92 0.00 -0.71 0.57 119.26 123.89 1w3h h ALA 163 Ca 0.15 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1w3h h ALA 163 Cb 0.47 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1w3h h ALA 163 CO 0.02 0.50 -0.01 0.74 0.00 0.00 0.00 179.25 180.50 1w3h h PHE 164 N 0.97 0.53 -0.84 0.00 0.04 -1.33 -0.70 116.94 115.61 1w3h h PHE 164 Ca 0.23 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.90 1w3h h PHE 164 Cb 0.18 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.16 1w3h h PHE 164 CO 0.01 0.64 0.49 0.00 -0.60 0.00 0.00 178.31 178.85 1w3h h ARG 165 N 0.26 1.15 0.01 1.51 3.08 -0.96 -0.31 114.38 119.13 1w3h h ARG 165 Ca 0.08 -0.11 -0.20 0.00 0.07 0.00 0.00 59.98 59.81 1w3h h ARG 165 Cb 0.44 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1w3h h ARG 165 CO 0.02 0.82 -0.92 0.00 -1.07 0.00 0.00 179.97 178.82 1w3h h ARG 166 N 1.17 0.08 -0.29 0.04 3.08 -0.82 -2.81 114.38 114.83 1w3h h ARG 166 Ca 0.30 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 60.15 1w3h h ARG 166 Cb -0.02 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1w3h h ARG 166 CO -0.05 0.94 -0.17 0.00 -1.07 0.00 0.00 179.97 179.61 1w3h h ALA 167 N 1.02 0.41 -0.58 0.04 0.00 -0.60 -2.13 119.26 117.42 1w3h h ALA 167 Ca -0.03 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.59 1w3h h ALA 167 Cb 1.59 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.23 1w3h h ALA 167 CO 0.13 0.33 0.29 -0.09 0.00 0.00 0.00 179.25 179.92 1w3h h ARG 168 N 0.38 0.54 -0.06 0.00 9.65 -1.10 -1.35 114.38 122.44 1w3h h ARG 168 Ca 0.06 -0.03 -0.12 0.00 -1.10 0.00 0.00 59.98 58.79 1w3h h ARG 168 Cb 0.71 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.15 1w3h h ARG 168 CO 0.05 0.35 -0.51 0.00 2.80 0.00 0.00 179.97 182.66 1w3h h ALA 169 N 1.32 1.04 0.01 2.80 0.00 -1.41 -2.26 119.26 120.77 1w3h h ALA 169 Ca 0.26 -0.48 -0.27 0.00 0.00 0.00 0.00 54.91 54.43 1w3h h ALA 169 Cb 0.19 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1w3h h ALA 169 CO -0.19 0.66 -1.46 0.00 0.00 0.00 0.00 179.25 178.26 1w3h h ALA 170 N 1.36 0.57 -2.46 0.00 0.00 -1.12 -3.41 119.26 114.20 1w3h h ALA 170 Ca 0.00 -1.24 -0.56 0.00 0.00 0.00 0.00 54.91 53.11 1w3h h ALA 170 Cb 0.95 0.25 -0.38 0.00 0.00 0.00 0.00 17.79 18.61 1w3h h ALA 170 CO 0.07 1.42 -0.86 0.34 0.00 0.00 0.00 179.25 180.23 1w3h s ASP 171 N -6.41 2.45 0.07 0.00 2.15 -0.53 -4.03 116.67 110.37 1w3h s ASP 171 Ca -0.04 -2.30 0.11 0.00 0.43 0.00 0.00 52.55 50.76 1w3h s ASP 171 Cb 0.09 -0.29 0.52 0.00 -0.30 0.00 0.00 42.92 42.93 1w3h s ASP 171 CO 0.82 -0.27 1.36 -0.81 -0.17 0.00 0.00 175.17 176.10 1w3h n PRO 172 N 3.81 0.04 0.14 4.34 -0.04 -0.85 -2.75 135.00 139.70 1w3h n PRO 172 Ca 0.16 0.41 0.12 0.00 -0.04 0.00 0.00 63.50 64.14 1w3h n PRO 172 Cb 0.40 -1.61 0.14 0.00 -0.04 0.00 0.00 33.50 32.40 1w3h n PRO 172 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1w3h h THR 173 N 0.00 0.00 -3.92 0.52 1.35 -1.94 -3.47 112.91 105.46 1w3h h THR 173 Ca 0.00 -0.86 -0.48 0.00 -0.55 0.00 0.00 66.41 64.52 1w3h h THR 173 Cb 0.15 1.63 0.01 0.00 -1.73 0.00 0.00 68.15 68.20 1w3h h THR 173 CO 0.00 0.00 0.41 0.00 -0.25 0.00 0.00 175.52 175.68 1w3h s ALA 174 N -3.24 3.17 -0.18 6.62 0.00 -1.11 -4.93 121.76 122.09 1w3h s ALA 174 Ca 0.05 0.69 -0.24 0.00 0.00 0.00 0.00 51.96 52.46 1w3h s ALA 174 Cb 0.09 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 1w3h s ALA 174 CO 0.71 -0.11 0.78 -1.21 0.00 0.00 0.00 175.76 175.93 1w3h s GLU 175 N -2.22 4.27 -0.24 0.00 2.02 -0.95 -4.96 118.70 116.62 1w3h s GLU 175 Ca 0.54 0.92 -0.07 0.00 0.02 0.00 0.00 54.97 56.37 1w3h s GLU 175 Cb -0.23 -3.58 -0.03 0.00 0.10 0.00 0.00 34.13 30.39 1w3h s GLU 175 CO 0.29 -0.31 0.07 -0.51 0.02 0.00 0.00 175.26 174.82 1w3h s LEU 176 N 2.11 3.49 0.08 1.80 1.43 -1.26 -1.41 118.68 124.92 1w3h s LEU 176 Ca 0.36 -0.17 0.07 0.00 -1.03 0.00 0.00 54.13 53.36 1w3h s LEU 176 Cb -0.16 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1w3h s LEU 176 CO 0.12 -0.01 -0.15 -0.31 0.23 0.00 0.00 176.35 176.23 1w3h s TYR 177 N 1.47 2.63 -0.22 0.29 1.51 -0.14 0.01 117.35 122.89 1w3h s TYR 177 Ca 0.06 -0.21 -0.08 0.00 -1.01 0.00 0.00 57.07 55.82 1w3h s TYR 177 Cb -0.15 -1.43 -0.04 0.00 -0.11 0.00 0.00 41.96 40.23 1w3h s TYR 177 CO 0.04 0.35 0.10 -0.47 -1.11 0.00 0.00 175.55 174.45 1w3h s TYR 178 N -1.07 3.22 0.01 2.71 5.04 -0.61 -0.79 117.35 125.87 1w3h s TYR 178 Ca 0.17 -0.02 0.08 0.00 -2.44 0.00 0.00 57.07 54.86 1w3h s TYR 178 Cb -0.11 -2.20 -0.03 0.00 0.35 0.00 0.00 41.96 39.98 1w3h s TYR 178 CO 0.09 -0.04 -0.23 1.21 -1.34 0.00 0.00 175.55 175.24 1w3h s ASN 179 N 1.01 3.37 0.25 4.32 2.47 -0.60 -0.38 114.94 125.38 1w3h s ASN 179 Ca 0.05 -0.47 -0.22 0.00 0.42 0.00 0.00 52.86 52.64 1w3h s ASN 179 Cb -0.14 -0.44 0.04 0.00 -1.45 0.00 0.00 41.25 39.26 1w3h s ASN 179 CO 0.03 0.29 0.80 -0.62 -3.72 0.00 0.00 177.10 173.88 1w3h s ASP 180 N -1.04 -0.21 0.28 -4.21 -1.08 -0.91 -0.90 116.67 108.60 1w3h s ASP 180 Ca 0.12 -0.59 0.12 0.00 -0.52 0.00 0.00 52.55 51.67 1w3h s ASP 180 Cb -0.10 0.67 -0.05 0.00 -1.46 0.00 0.00 42.92 41.97 1w3h s ASP 180 CO 0.02 -1.24 -0.19 0.72 0.52 0.00 0.00 175.17 175.00 1w3h s PHE 181 N -3.59 2.31 0.00 -5.34 -0.71 -1.26 -1.22 117.98 108.17 1w3h s PHE 181 Ca 0.12 -0.33 0.00 0.00 -1.04 0.00 0.00 56.93 55.68 1w3h s PHE 181 Cb -0.05 -1.01 0.00 0.00 -1.21 0.00 0.00 43.02 40.75 1w3h s PHE 181 CO 0.06 0.71 0.00 0.09 -1.34 0.00 0.00 175.22 174.74 1w3h n ASN 182 N -0.64 0.00 0.05 1.98 3.02 -1.26 -4.83 115.26 113.59 1w3h n ASN 182 Ca -0.05 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.62 1w3h n ASN 182 Cb 0.60 -1.55 0.47 0.00 -0.61 0.00 0.00 39.78 38.69 1w3h n ASN 182 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1w3h n THR 183 N -2.00 0.53 1.45 3.41 -2.24 -1.26 -2.53 114.28 111.65 1w3h n THR 183 Ca 0.00 0.01 0.15 0.00 -2.27 0.00 0.00 64.05 61.94 1w3h n THR 183 Cb 0.00 -0.75 0.69 0.00 -2.10 0.00 0.00 70.33 68.16 1w3h n THR 183 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1w3h n GLU 184 N -1.86 0.62 0.16 -0.78 0.00 -1.26 -4.08 120.64 113.44 1w3h n GLU 184 Ca 0.05 -0.14 0.13 0.00 0.00 0.00 0.00 57.16 57.20 1w3h n GLU 184 Cb 0.31 -1.50 0.35 0.00 0.00 0.00 0.00 31.44 30.61 1w3h n GLU 184 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1w3h h GLU 185 N 0.34 0.00 -1.40 3.44 5.08 -1.77 -3.15 114.58 117.12 1w3h h GLU 185 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1w3h h GLU 185 Cb 0.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1w3h h GLU 185 CO 0.00 0.00 -0.27 -1.71 -1.00 0.00 0.00 179.01 176.03 1w3h n ASN 186 N -2.62 -3.61 0.00 1.42 5.15 -1.26 -4.82 115.26 109.53 1w3h n ASN 186 Ca 0.04 0.02 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 1w3h n ASN 186 Cb 0.44 -2.76 0.00 0.00 -0.53 0.00 0.00 39.78 36.92 1w3h n ASN 186 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1w3h n GLY 187 N -1.09 3.39 0.25 8.20 0.00 -1.26 -4.90 105.19 109.78 1w3h n GLY 187 Ca -0.12 -1.71 -0.00 0.00 0.00 0.00 0.00 46.02 44.18 1w3h n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w3h h ALA 188 N -0.10 0.88 -0.17 4.61 0.00 -1.95 -2.58 119.26 119.97 1w3h h ALA 188 Ca 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1w3h h ALA 188 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1w3h h ALA 188 CO 0.00 -0.04 -0.38 -0.22 0.00 0.00 0.00 179.25 178.60 1w3h h LYS 189 N 0.59 0.36 -0.87 0.00 3.64 -1.92 -0.35 116.57 118.02 1w3h h LYS 189 Ca 0.31 -0.17 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1w3h h LYS 189 Cb 0.28 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 1w3h h LYS 189 CO -0.23 0.70 0.57 1.15 -2.27 0.00 0.00 179.45 179.36 1w3h h THR 190 N 0.31 1.17 -0.46 1.00 2.02 -1.68 0.52 112.91 115.79 1w3h h THR 190 Ca 0.03 -0.39 -0.13 0.00 0.77 0.00 0.00 66.41 66.69 1w3h h THR 190 Cb 0.82 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1w3h h THR 190 CO 0.07 0.21 -0.24 0.74 0.37 0.00 0.00 175.52 176.66 1w3h h THR 191 N 1.12 1.27 -0.52 3.16 2.02 -0.95 -0.83 112.91 118.18 1w3h h THR 191 Ca 0.34 -1.40 -0.06 0.00 0.77 0.00 0.00 66.41 66.06 1w3h h THR 191 Cb -0.05 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1w3h h THR 191 CO -0.10 0.48 0.08 0.00 0.37 0.00 0.00 175.52 176.35 1w3h h ALA 192 N 0.91 1.18 -0.40 6.16 0.00 -0.65 -1.21 119.26 125.24 1w3h h ALA 192 Ca 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1w3h h ALA 192 Cb 0.81 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1w3h h ALA 192 CO 0.07 0.55 0.21 1.25 0.00 0.00 0.00 179.25 181.33 1w3h h LEU 193 N 0.78 0.51 -0.36 0.00 5.85 -0.17 0.13 115.31 122.05 1w3h h LEU 193 Ca 0.16 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1w3h h LEU 193 Cb 0.35 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1w3h h LEU 193 CO 0.01 0.48 0.07 0.58 -0.34 0.00 0.00 178.44 179.23 1w3h h VAL 194 N 0.51 0.81 -0.49 1.05 2.07 -0.72 0.65 116.25 120.14 1w3h h VAL 194 Ca 0.14 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1w3h h VAL 194 Cb 0.09 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1w3h h VAL 194 CO -0.02 0.03 0.28 -1.13 0.02 0.00 0.00 177.57 176.75 1w3h h ASN 195 N 0.19 0.60 0.43 0.57 -0.00 -0.91 0.01 115.58 116.46 1w3h h ASN 195 Ca 0.17 -0.07 -0.02 0.00 -0.00 0.00 0.00 56.30 56.38 1w3h h ASN 195 Cb 0.20 -0.15 -0.00 0.00 -0.00 0.00 0.00 38.32 38.36 1w3h h ASN 195 CO -0.23 0.50 -0.26 0.25 -0.00 0.00 0.00 177.43 177.69 1w3h h LEU 196 N 0.65 -0.65 -0.43 0.34 6.46 0.01 -2.31 115.31 119.38 1w3h h LEU 196 Ca 0.17 0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 57.90 1w3h h LEU 196 Cb 0.02 0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 1w3h h LEU 196 CO -0.03 -0.41 -0.01 0.58 -0.62 0.00 0.00 178.44 177.95 1w3h h VAL 197 N -0.66 1.26 -1.00 1.05 2.07 -0.79 -2.13 116.25 116.05 1w3h h VAL 197 Ca -0.05 -1.05 0.02 0.00 0.82 0.00 0.00 66.70 66.44 1w3h h VAL 197 Cb 0.54 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 1w3h h VAL 197 CO 0.05 0.36 0.66 -0.61 0.02 0.00 0.00 177.57 178.05 1w3h h GLN 198 N 0.60 1.29 -0.26 1.57 5.75 -1.02 -0.68 115.11 122.37 1w3h h GLN 198 Ca 0.12 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 1w3h h GLN 198 Cb 0.50 -0.29 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 1w3h h GLN 198 CO 0.02 0.86 0.17 -0.09 -2.65 0.00 0.00 178.83 177.14 1w3h h ARG 199 N 1.33 0.33 -0.28 1.69 2.43 -1.23 0.19 114.38 118.85 1w3h h ARG 199 Ca 0.37 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.56 1w3h h ARG 199 Cb -0.13 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.31 1w3h h ARG 199 CO -0.09 0.22 0.06 -0.07 -1.51 0.00 0.00 179.97 178.59 1w3h h LEU 200 N 0.34 0.03 -0.76 3.80 3.38 -0.85 -1.30 115.31 119.96 1w3h h LEU 200 Ca 0.09 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1w3h h LEU 200 Cb -0.04 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 1w3h h LEU 200 CO -0.02 0.05 0.48 -0.07 0.09 0.00 0.00 178.44 178.97 1w3h h LEU 201 N 0.17 0.79 -1.86 1.67 3.38 -0.90 -1.49 115.31 117.08 1w3h h LEU 201 Ca 0.13 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.15 1w3h h LEU 201 Cb 0.12 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1w3h h LEU 201 CO -0.16 0.54 0.21 0.78 0.09 0.00 0.00 178.44 179.91 1w3h h ASN 202 N 0.93 0.16 -0.20 -0.43 2.35 -0.15 -2.58 115.58 115.66 1w3h h ASN 202 Ca 0.31 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1w3h h ASN 202 Cb 0.02 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1w3h h ASN 202 CO -0.11 0.10 0.00 0.59 -1.65 0.00 0.00 177.43 176.36 1w3h n ASN 203 N -4.48 2.25 -0.81 5.81 5.03 -0.53 -4.94 115.26 117.59 1w3h n ASN 203 Ca 0.04 -1.79 -0.09 0.00 0.87 0.00 0.00 54.58 53.61 1w3h n ASN 203 Cb 0.26 -0.13 -0.02 0.00 -1.02 0.00 0.00 39.78 38.87 1w3h n ASN 203 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1w3h n GLY 204 N 1.26 0.64 3.74 7.41 0.00 -0.96 -4.98 105.19 112.30 1w3h n GLY 204 Ca 0.17 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 1w3h n GLY 204 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1w3h s VAL 205 N -2.37 3.38 -0.87 1.61 1.01 -0.62 -4.92 120.40 117.62 1w3h s VAL 205 Ca 0.00 1.18 -0.06 0.00 0.00 0.00 0.00 61.98 63.10 1w3h s VAL 205 Cb 0.00 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1w3h s VAL 205 CO 0.00 0.20 2.05 -0.81 0.00 0.00 0.00 175.10 176.54 1w3h n PRO 206 N 2.34 1.96 -3.08 2.72 -0.04 -1.26 -4.73 135.00 132.91 1w3h n PRO 206 Ca 0.04 -1.44 -0.40 0.00 -0.04 0.00 0.00 63.50 61.66 1w3h n PRO 206 Cb 0.44 -2.46 -0.05 0.00 -0.04 0.00 0.00 33.50 31.39 1w3h n PRO 206 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1w3h s ILE 207 N 3.57 5.02 -0.11 0.52 2.07 -1.26 -4.78 121.20 126.22 1w3h s ILE 207 Ca 0.39 1.30 0.20 0.00 -1.41 0.00 0.00 60.65 61.13 1w3h s ILE 207 Cb 0.10 -3.99 -0.24 0.00 0.13 0.00 0.00 42.46 38.46 1w3h s ILE 207 CO -0.02 0.15 0.51 0.47 -1.91 0.00 0.00 174.94 174.14 1w3h n ASP 208 N 4.61 0.26 -3.47 4.50 8.00 0.10 -4.96 116.55 125.59 1w3h n ASP 208 Ca -0.01 0.11 -0.03 0.00 0.71 0.00 0.00 54.79 55.57 1w3h n ASP 208 Cb 0.50 1.24 0.01 0.00 -0.02 0.00 0.00 41.12 42.85 1w3h n ASP 208 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1w3h s GLY 209 N -4.79 0.01 -0.08 0.44 0.00 -0.78 -1.06 107.32 101.05 1w3h s GLY 209 Ca -0.07 -0.18 0.05 0.00 0.00 0.00 0.00 44.72 44.52 1w3h s GLY 209 CO 0.86 1.87 -0.23 0.14 0.00 0.00 0.00 173.10 175.73 1w3h s VAL 210 N -2.42 1.99 -0.21 1.40 1.01 0.28 -1.57 120.40 120.88 1w3h s VAL 210 Ca 0.20 -0.99 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 1w3h s VAL 210 Cb -0.02 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 1w3h s VAL 210 CO 0.04 0.55 0.12 -0.83 0.00 0.00 0.00 175.10 174.98 1w3h s GLY 211 N 0.20 1.98 -0.27 4.51 0.00 0.49 -0.70 107.32 113.52 1w3h s GLY 211 Ca -0.14 -0.79 -0.08 0.00 0.00 0.00 0.00 44.72 43.71 1w3h s GLY 211 CO 0.07 0.22 0.10 -1.36 0.00 0.00 0.00 173.10 172.13 1w3h s PHE 212 N 0.64 3.13 0.15 1.90 0.40 0.16 -2.14 117.98 122.21 1w3h s PHE 212 Ca 0.06 -0.36 -0.14 0.00 -0.60 0.00 0.00 56.93 55.89 1w3h s PHE 212 Cb -0.12 -2.28 0.03 0.00 0.51 0.00 0.00 43.02 41.16 1w3h s PHE 212 CO 0.01 -0.34 1.72 1.96 0.70 0.00 0.00 175.22 179.26 1w3h h GLN 213 N 8.28 0.71 -4.27 0.44 4.20 -1.46 -1.20 115.11 121.80 1w3h h GLN 213 Ca -0.37 -0.12 -0.24 0.00 0.06 0.00 0.00 58.65 57.99 1w3h h GLN 213 Cb 1.17 -0.12 0.10 0.00 0.30 0.00 0.00 27.48 28.93 1w3h h GLN 213 CO 0.58 0.62 -0.47 -0.12 -0.67 0.00 0.00 178.83 178.77 1w3h n MET 214 N -4.59 -4.78 -2.53 1.46 1.56 -1.26 -1.90 117.12 105.08 1w3h n MET 214 Ca 0.02 0.55 -0.40 0.00 -0.27 0.00 0.00 57.70 57.59 1w3h n MET 214 Cb 0.14 -4.71 -0.02 0.00 2.15 0.00 0.00 33.22 30.78 1w3h n MET 214 CO 0.00 0.00 0.00 -1.01 -0.73 0.00 0.00 175.97 174.23 1w3h s HIS 215 N -3.22 2.54 0.39 1.12 3.76 -1.26 -3.20 115.29 115.41 1w3h s HIS 215 Ca 0.19 -0.93 0.08 0.00 -0.15 0.00 0.00 55.06 54.25 1w3h s HIS 215 Cb -0.09 -4.67 -0.02 0.00 1.11 0.00 0.00 32.58 28.91 1w3h s HIS 215 CO 0.48 -1.88 0.33 0.14 -0.85 0.00 0.00 174.74 172.96 1w3h s VAL 216 N 5.18 2.92 0.28 -0.90 -7.23 -0.91 -4.92 120.40 114.82 1w3h s VAL 216 Ca 0.50 -1.38 0.07 0.00 -1.81 0.00 0.00 61.98 59.36 1w3h s VAL 216 Cb 0.01 -3.05 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 1w3h s VAL 216 CO -0.05 -0.06 0.24 -0.04 -0.31 0.00 0.00 175.10 174.88 1w3h s MET 217 N -4.07 2.89 0.32 4.82 -1.94 -0.22 -0.97 119.30 120.12 1w3h s MET 217 Ca 0.45 -1.12 0.09 0.00 -1.71 0.00 0.00 55.69 53.41 1w3h s MET 217 Cb -0.04 -2.55 0.89 0.00 2.01 0.00 0.00 34.83 35.14 1w3h s MET 217 CO 0.27 0.30 1.70 -0.91 -0.01 0.00 0.00 175.02 176.37 1w3h h ASN 218 N 1.39 0.53 -0.03 3.03 2.35 -1.70 -3.09 115.58 118.06 1w3h h ASN 218 Ca -0.47 0.16 -0.16 0.00 -0.55 0.00 0.00 56.30 55.27 1w3h h ASN 218 Cb 1.24 0.09 -0.34 0.00 0.05 0.00 0.00 38.32 39.37 1w3h h ASN 218 CO 0.60 0.01 -0.97 0.47 -1.65 0.00 0.00 177.43 175.89 1w3h n ASP 219 N -4.98 1.16 -3.65 5.81 8.00 -1.26 -4.88 116.55 116.75 1w3h n ASP 219 Ca 0.27 -2.28 -0.10 0.00 0.71 0.00 0.00 54.79 53.39 1w3h n ASP 219 Cb 0.78 -0.34 -0.08 0.00 -0.02 0.00 0.00 41.12 41.46 1w3h n ASP 219 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1w3h s TYR 220 N -0.66 -0.88 0.84 1.24 6.14 -1.17 -4.75 117.35 118.10 1w3h s TYR 220 Ca 0.34 1.88 -0.12 0.00 0.64 0.00 0.00 57.07 59.82 1w3h s TYR 220 Cb 0.38 0.46 0.13 0.00 0.42 0.00 0.00 41.96 43.35 1w3h s TYR 220 CO -0.15 -0.44 1.19 -1.25 0.64 0.00 0.00 175.55 175.54 1w3h s PRO 221 N 1.19 1.47 0.48 4.97 0.04 -1.26 -1.06 135.00 140.83 1w3h s PRO 221 Ca -0.07 -0.26 -0.23 0.00 0.04 0.00 0.00 61.00 60.48 1w3h s PRO 221 Cb -0.05 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 1w3h s PRO 221 CO -0.12 -1.83 1.23 -1.54 0.04 0.00 0.00 177.00 174.78 1w3h s SER 222 N -4.70 5.95 0.39 6.66 1.04 -1.26 -4.85 113.70 116.93 1w3h s SER 222 Ca 0.67 2.47 0.06 0.00 0.48 0.00 0.00 55.95 59.63 1w3h s SER 222 Cb -0.08 -2.62 0.80 0.00 0.10 0.00 0.00 66.02 64.23 1w3h s SER 222 CO 0.49 -1.08 2.02 -0.29 0.98 0.00 0.00 173.24 175.36 1w3h h ILE 223 N 1.84 1.13 -0.67 -1.02 6.09 -1.98 -1.03 117.51 121.85 1w3h h ILE 223 Ca -0.50 -0.31 0.06 0.00 -1.37 0.00 0.00 64.86 62.74 1w3h h ILE 223 Cb 1.26 0.57 -0.05 0.00 0.47 0.00 0.00 36.82 39.07 1w3h h ILE 223 CO 0.60 0.14 0.38 0.00 -3.07 0.00 0.00 178.15 176.19 1w3h h ALA 224 N 1.69 0.90 -0.29 0.18 0.00 -1.99 -0.71 119.26 119.04 1w3h h ALA 224 Ca 0.15 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1w3h h ALA 224 Cb 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1w3h h ALA 224 CO -0.03 0.07 -0.37 -0.91 0.00 0.00 0.00 179.25 178.01 1w3h h ASN 225 N 0.71 0.70 -0.41 0.00 2.35 -1.64 -1.36 115.58 115.93 1w3h h ASN 225 Ca 0.30 -0.30 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1w3h h ASN 225 Cb 0.17 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1w3h h ASN 225 CO -0.17 1.00 0.25 0.40 -1.65 0.00 0.00 177.43 177.26 1w3h h ILE 226 N 0.56 1.13 0.11 2.81 2.04 -0.94 -1.16 117.51 122.06 1w3h h ILE 226 Ca 0.05 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1w3h h ILE 226 Cb 0.89 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1w3h h ILE 226 CO 0.08 0.13 -0.05 -0.09 0.00 0.00 0.00 178.15 178.22 1w3h h ARG 227 N 0.55 -0.14 -0.37 2.37 2.43 -1.06 -2.28 114.38 115.89 1w3h h ARG 227 Ca 0.15 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 1w3h h ARG 227 Cb -0.00 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1w3h h ARG 227 CO -0.03 -0.03 0.01 0.37 -1.51 0.00 0.00 179.97 178.78 1w3h h GLN 228 N -0.21 0.57 -0.11 0.20 4.15 -1.18 0.11 115.11 118.64 1w3h h GLN 228 Ca -0.01 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.28 1w3h h GLN 228 Cb 0.17 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 1w3h h GLN 228 CO 0.02 0.58 0.05 0.00 -1.93 0.00 0.00 178.83 177.56 1w3h h ALA 229 N 1.48 0.14 -0.45 3.38 0.00 -1.10 0.14 119.26 122.84 1w3h h ALA 229 Ca 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1w3h h ALA 229 Cb 0.33 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1w3h h ALA 229 CO 0.01 -0.30 0.15 0.52 0.00 0.00 0.00 179.25 179.63 1w3h h MET 230 N 0.05 0.70 -0.48 0.00 2.86 -1.05 -2.73 114.93 114.27 1w3h h MET 230 Ca 0.04 -0.15 0.10 0.00 -2.06 0.00 0.00 59.70 57.63 1w3h h MET 230 Cb 0.12 -0.10 -0.10 0.00 0.06 0.00 0.00 31.60 31.58 1w3h h MET 230 CO -0.00 0.67 -0.15 1.96 1.06 0.00 0.00 176.91 180.44 1w3h h GLN 231 N 0.59 -0.04 -0.88 1.72 4.20 -0.54 -0.72 115.11 119.44 1w3h h GLN 231 Ca 0.15 0.00 0.18 0.00 0.06 0.00 0.00 58.65 59.04 1w3h h GLN 231 Cb 0.26 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.98 1w3h h GLN 231 CO -0.01 -0.03 0.58 0.87 -0.67 0.00 0.00 178.83 179.58 1w3h h LYS 232 N -0.04 0.46 0.12 1.46 1.57 -0.42 -0.64 116.57 119.08 1w3h h LYS 232 Ca 0.23 -0.03 -0.26 0.00 -1.87 0.00 0.00 60.65 58.73 1w3h h LYS 232 Cb 0.40 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1w3h h LYS 232 CO -0.52 0.30 -1.28 0.82 -0.57 0.00 0.00 179.45 178.21 1w3h h ILE 233 N 0.47 1.13 -1.01 1.86 1.08 -1.09 -3.26 117.51 116.69 1w3h h ILE 233 Ca 0.45 -2.43 0.24 0.00 -0.39 0.00 0.00 64.86 62.74 1w3h h ILE 233 Cb 1.03 2.81 -0.11 0.00 -3.07 0.00 0.00 36.82 37.48 1w3h h ILE 233 CO -0.18 0.70 0.62 0.58 -0.69 0.00 0.00 178.15 179.18 1w3h h VAL 234 N -0.34 0.58 0.00 1.67 2.07 -0.89 -2.00 116.25 117.34 1w3h h VAL 234 Ca -0.27 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1w3h h VAL 234 Cb 1.72 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1w3h h VAL 234 CO 0.07 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.77 1w3h h ALA 235 N 1.67 1.00 0.00 1.67 0.00 -1.16 -3.24 119.26 119.20 1w3h h ALA 235 Ca 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.51 1w3h h ALA 235 Cb 1.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1w3h h ALA 235 CO -0.39 0.00 -0.06 -0.07 0.00 0.00 0.00 179.25 178.73 1w3h h LEU 236 N 0.00 0.00 -7.15 0.00 3.38 -1.45 -3.45 115.31 106.64 1w3h h LEU 236 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1w3h h LEU 236 Cb 0.41 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.99 1w3h h LEU 236 CO 0.00 0.06 0.08 -0.55 0.09 0.00 0.00 178.44 178.12 1w3h s SER 237 N -5.84 -0.49 0.00 -0.43 0.15 -1.22 -5.04 113.70 100.82 1w3h s SER 237 Ca 0.01 0.26 0.25 0.00 0.70 0.00 0.00 55.95 57.17 1w3h s SER 237 Cb 0.09 0.51 1.19 0.00 -1.71 0.00 0.00 66.02 66.10 1w3h s SER 237 CO 0.57 -0.72 1.83 -0.81 1.20 0.00 0.00 173.24 175.31 1w3h n PRO 238 N 0.45 0.21 0.00 5.44 -0.04 -1.26 -4.25 135.00 135.54 1w3h n PRO 238 Ca -0.18 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1w3h n PRO 238 Cb 0.60 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1w3h n PRO 238 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1w3h n THR 239 N -1.38 0.00 -1.67 0.52 -2.24 -1.26 -5.07 114.28 103.18 1w3h n THR 239 Ca 0.09 -0.19 -0.46 0.00 -2.27 0.00 0.00 64.05 61.23 1w3h n THR 239 Cb 0.24 0.87 -0.04 0.00 -2.10 0.00 0.00 70.33 69.30 1w3h n THR 239 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1w3h n LEU 240 N -0.48 3.25 -4.89 3.22 7.94 -1.26 -4.91 117.00 119.86 1w3h n LEU 240 Ca 0.00 1.05 -0.29 0.00 -1.11 0.00 0.00 56.01 55.66 1w3h n LEU 240 Cb 0.00 -1.42 -0.03 0.00 0.53 0.00 0.00 43.42 42.50 1w3h n LEU 240 CO 0.00 -0.20 0.33 -0.54 -1.11 0.00 0.00 177.39 175.87 1w3h s LYS 241 N 1.90 3.69 -0.08 1.96 1.02 -0.22 -4.89 119.74 123.11 1w3h s LYS 241 Ca 0.83 0.22 0.03 0.00 0.02 0.00 0.00 55.97 57.07 1w3h s LYS 241 Cb -0.67 -2.51 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 1w3h s LYS 241 CO 0.42 0.07 -0.19 0.42 -0.92 0.00 0.00 175.35 175.15 1w3h s ILE 242 N -2.26 1.67 -0.03 2.17 -1.09 -0.52 -0.56 121.20 120.58 1w3h s ILE 242 Ca 0.47 -0.79 0.04 0.00 -2.23 0.00 0.00 60.65 58.14 1w3h s ILE 242 Cb -0.10 -1.46 -0.00 0.00 -1.58 0.00 0.00 42.46 39.31 1w3h s ILE 242 CO 0.32 0.47 -0.14 -0.75 -1.23 0.00 0.00 174.94 173.61 1w3h s LYS 243 N 0.44 1.31 -0.29 2.79 2.20 0.12 -0.50 119.74 125.81 1w3h s LYS 243 Ca -0.16 -0.48 -0.15 0.00 -0.36 0.00 0.00 55.97 54.82 1w3h s LYS 243 Cb -0.17 -1.20 -0.03 0.00 -1.51 0.00 0.00 37.83 34.93 1w3h s LYS 243 CO 0.06 0.22 0.39 0.42 -0.36 0.00 0.00 175.35 176.09 1w3h s ILE 244 N -0.03 5.15 -0.18 5.43 1.01 0.62 -0.67 121.20 132.53 1w3h s ILE 244 Ca -0.00 0.49 0.14 0.00 0.00 0.00 0.00 60.65 61.27 1w3h s ILE 244 Cb -0.09 -3.75 -0.21 0.00 0.01 0.00 0.00 42.46 38.43 1w3h s ILE 244 CO 0.01 0.08 0.03 0.35 0.00 0.00 0.00 174.94 175.40 1w3h n THR 245 N 5.17 1.21 -2.81 2.92 -2.24 -0.45 -0.77 114.28 117.30 1w3h n THR 245 Ca -0.08 -0.71 -0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1w3h n THR 245 Cb 0.50 -0.63 0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1w3h n THR 245 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1w3h n GLU 246 N -2.71 1.66 -1.88 -0.78 1.02 -0.80 -4.57 120.64 112.59 1w3h n GLU 246 Ca -0.30 -3.14 -0.42 0.00 -0.02 0.00 0.00 57.16 53.28 1w3h n GLU 246 Cb 1.05 -1.28 -0.03 0.00 -0.02 0.00 0.00 31.44 31.16 1w3h n GLU 246 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1w3h s LEU 247 N -3.85 4.37 0.13 -4.62 2.96 -0.38 -4.26 118.68 113.03 1w3h s LEU 247 Ca 0.24 2.67 -0.16 0.00 -0.22 0.00 0.00 54.13 56.67 1w3h s LEU 247 Cb 0.34 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 43.47 1w3h s LEU 247 CO -0.05 -0.87 0.39 1.51 -1.32 0.00 0.00 176.35 176.01 1w3h s ASP 248 N 1.32 -0.21 -0.23 3.68 1.47 -1.19 -0.69 116.67 120.81 1w3h s ASP 248 Ca 0.72 -0.36 -0.04 0.00 1.18 0.00 0.00 52.55 54.05 1w3h s ASP 248 Cb -0.45 0.47 0.08 0.00 -0.34 0.00 0.00 42.92 42.68 1w3h s ASP 248 CO 0.32 -0.86 0.12 -0.69 0.68 0.00 0.00 175.17 174.74 1w3h s VAL 249 N -3.82 -0.11 -0.10 2.11 1.01 -0.86 -2.15 120.40 116.49 1w3h s VAL 249 Ca 0.04 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 1w3h s VAL 249 Cb 0.02 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 1w3h s VAL 249 CO -0.11 -0.47 1.01 -0.13 0.00 0.00 0.00 175.10 175.41 1w3h s ARG 250 N 2.15 4.43 0.50 2.72 0.52 -0.15 -4.25 118.95 124.87 1w3h s ARG 250 Ca 0.06 1.41 0.29 0.00 -0.52 0.00 0.00 55.73 56.96 1w3h s ARG 250 Cb -0.16 -3.54 1.12 0.00 0.52 0.00 0.00 34.95 32.89 1w3h s ARG 250 CO -0.22 -0.31 1.90 -0.07 0.02 0.00 0.00 175.30 176.62 1w3h h LEU 251 N 7.97 0.00 -8.46 2.53 4.07 -1.91 -2.19 115.31 117.32 1w3h h LEU 251 Ca -0.31 0.00 -0.67 0.00 0.08 0.00 0.00 57.88 56.98 1w3h h LEU 251 Cb 1.15 0.00 -0.25 0.00 1.08 0.00 0.00 40.66 42.64 1w3h h LEU 251 CO 0.85 0.09 -0.63 0.20 -1.08 0.00 0.00 178.44 177.86 1w3h s ASN 252 N -5.92 5.02 -0.30 -0.43 0.01 -1.26 -4.85 114.94 107.21 1w3h s ASN 252 Ca 0.01 -0.53 -0.04 0.00 -0.71 0.00 0.00 52.86 51.60 1w3h s ASN 252 Cb 0.09 -1.87 0.03 0.00 0.41 0.00 0.00 41.25 39.91 1w3h s ASN 252 CO 0.59 -0.13 0.03 0.21 -1.51 0.00 0.00 177.10 176.29 1w3h s ASN 253 N 1.53 4.90 0.00 -1.22 3.84 -1.26 -5.00 114.94 117.74 1w3h s ASN 253 Ca 0.04 -1.01 0.12 0.00 0.21 0.00 0.00 52.86 52.22 1w3h s ASN 253 Cb -0.16 -1.78 0.74 0.00 -0.55 0.00 0.00 41.25 39.50 1w3h s ASN 253 CO 0.02 -0.23 1.17 -2.65 -2.79 0.00 0.00 177.10 172.62 1w3h n PRO 254 N 4.74 0.45 -0.63 0.43 -0.02 -1.26 -3.96 135.00 134.74 1w3h n PRO 254 Ca -0.14 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.37 1w3h n PRO 254 Cb 0.46 -1.43 0.04 0.00 -0.02 0.00 0.00 33.50 32.55 1w3h n PRO 254 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1w3h n TYR 255 N -0.93 0.00 0.71 6.00 4.02 -1.26 -4.75 117.16 120.95 1w3h n TYR 255 Ca 0.09 -0.35 0.12 0.00 -0.01 0.00 0.00 57.90 57.75 1w3h n TYR 255 Cb 0.04 -0.10 0.25 0.00 -0.02 0.00 0.00 39.34 39.52 1w3h n TYR 255 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1w3h n ASP 256 N -0.20 2.85 -0.14 7.72 5.68 -1.25 -4.94 116.55 126.27 1w3h n ASP 256 Ca 0.05 -1.90 -0.02 0.00 -0.50 0.00 0.00 54.79 52.42 1w3h n ASP 256 Cb 0.78 -0.16 -0.01 0.00 -1.14 0.00 0.00 41.12 40.59 1w3h n ASP 256 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1w3h n GLY 257 N 1.38 0.51 2.78 6.12 0.00 -1.26 -4.99 105.19 109.72 1w3h n GLY 257 Ca 0.18 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 1w3h n GLY 257 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1w3h s ASN 258 N -2.29 3.10 0.00 1.61 2.47 -1.26 -4.95 114.94 113.62 1w3h s ASN 258 Ca 0.00 -0.90 0.25 0.00 0.42 0.00 0.00 52.86 52.63 1w3h s ASN 258 Cb 0.00 -0.71 0.44 0.00 -1.45 0.00 0.00 41.25 39.53 1w3h s ASN 258 CO 0.00 -0.29 1.37 -1.54 -3.72 0.00 0.00 177.10 172.92 1w3h n SER 259 N 4.97 0.59 0.20 -4.21 3.41 -1.26 -4.15 113.62 113.17 1w3h n SER 259 Ca -0.10 -0.37 0.08 0.00 -0.26 0.00 0.00 58.87 58.23 1w3h n SER 259 Cb 0.46 0.32 0.36 0.00 -0.26 0.00 0.00 64.21 65.09 1w3h n SER 259 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1w3h h SER 260 N 0.09 0.00 -0.55 4.04 0.02 -2.01 -3.04 113.55 112.09 1w3h h SER 260 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1w3h h SER 260 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1w3h h SER 260 CO 0.00 0.28 0.00 -0.46 -1.14 0.00 0.00 176.83 175.51 1w3h n ASN 261 N -3.36 3.38 -4.74 3.07 6.94 -1.26 -4.92 115.26 114.36 1w3h n ASN 261 Ca 0.01 -2.14 -0.39 0.00 -0.02 0.00 0.00 54.58 52.03 1w3h n ASN 261 Cb 0.49 -0.43 -0.05 0.00 -2.36 0.00 0.00 39.78 37.43 1w3h n ASN 261 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1w3h s ASN 262 N -0.92 7.06 -0.44 0.53 0.02 -1.15 -4.97 114.94 115.07 1w3h s ASN 262 Ca 0.39 1.27 -0.26 0.00 -1.02 0.00 0.00 52.86 53.24 1w3h s ASN 262 Cb 0.22 -2.41 0.02 0.00 0.02 0.00 0.00 41.25 39.10 1w3h s ASN 262 CO 0.23 0.01 0.95 -0.31 0.02 0.00 0.00 177.10 178.01 1w3h s TYR 263 N 0.12 2.94 -1.07 2.20 2.02 -1.26 -4.92 117.35 117.39 1w3h s TYR 263 Ca 0.35 0.52 0.22 0.00 -0.37 0.00 0.00 57.07 57.79 1w3h s TYR 263 Cb -0.19 -3.96 -0.10 0.00 -0.40 0.00 0.00 41.96 37.32 1w3h s TYR 263 CO 0.19 -1.06 1.00 0.25 -1.57 0.00 0.00 175.55 174.36 1w3h n THR 264 N 6.37 0.00 -5.15 -0.71 -2.24 -1.26 -4.14 114.28 107.15 1w3h n THR 264 Ca 0.07 -0.02 -0.32 0.00 -2.27 0.00 0.00 64.05 61.52 1w3h n THR 264 Cb 0.48 0.90 -0.15 0.00 -2.10 0.00 0.00 70.33 69.46 1w3h n THR 264 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1w3h s ASN 265 N -2.96 3.36 0.46 3.42 3.84 -1.26 -4.64 114.94 117.16 1w3h s ASN 265 Ca 0.09 -0.41 0.21 0.00 0.21 0.00 0.00 52.86 52.96 1w3h s ASN 265 Cb 0.16 -0.79 1.19 0.00 -0.55 0.00 0.00 41.25 41.27 1w3h s ASN 265 CO 0.82 0.28 1.90 -0.09 -2.79 0.00 0.00 177.10 177.22 1w3h h ARG 266 N 5.82 0.27 0.00 0.43 9.65 -1.97 -0.48 114.38 128.09 1w3h h ARG 266 Ca -0.37 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.49 1w3h h ARG 266 Cb 1.16 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 1w3h h ARG 266 CO 0.48 0.18 -0.03 0.09 2.80 0.00 0.00 179.97 183.49 1w3h n ASN 267 N -4.44 0.27 -0.18 -3.80 3.02 -1.26 -4.15 115.26 104.72 1w3h n ASN 267 Ca 0.16 0.49 -0.02 0.00 -0.03 0.00 0.00 54.58 55.18 1w3h n ASN 267 Cb 0.69 -0.55 0.08 0.00 -0.61 0.00 0.00 39.78 39.38 1w3h n ASN 267 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1w3h h ASP 268 N 0.00 0.27 -0.24 6.41 3.32 -1.47 -3.03 116.42 121.68 1w3h h ASP 268 Ca 0.00 0.06 -0.20 0.00 0.02 0.00 0.00 57.03 56.91 1w3h h ASP 268 Cb 0.57 0.02 -0.21 0.00 0.22 0.00 0.00 39.33 39.93 1w3h h ASP 268 CO 0.00 0.18 -0.72 0.00 -1.72 0.00 0.00 179.24 176.98 1w3h h ALA 270 N 1.45 0.42 0.00 0.00 0.00 -1.69 -3.43 119.26 116.02 1w3h h ALA 270 Ca 0.05 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1w3h h ALA 270 Cb 1.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1w3h h ALA 270 CO 0.24 0.62 -0.29 0.28 0.00 0.00 0.00 179.25 180.09 1w3h n VAL 271 N -4.06 0.78 -3.81 0.00 0.31 -1.26 -4.74 118.33 105.54 1w3h n VAL 271 Ca -0.05 0.26 -0.12 0.00 -0.01 0.00 0.00 64.34 64.42 1w3h n VAL 271 Cb 0.61 -1.67 -0.10 0.00 -0.91 0.00 0.00 33.84 31.78 1w3h n VAL 271 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1w3h s SER 272 N -5.32 -0.12 -0.07 4.52 0.15 -1.26 -5.07 113.70 106.53 1w3h s SER 272 Ca -0.08 0.04 -0.31 0.00 0.70 0.00 0.00 55.95 56.30 1w3h s SER 272 Cb 0.01 0.31 0.11 0.00 -1.71 0.00 0.00 66.02 64.74 1w3h s SER 272 CO 0.12 -0.36 1.00 0.00 1.20 0.00 0.00 173.24 175.20 1w3h h ALA 274 N 2.00 0.55 -0.96 0.00 0.00 -2.01 -0.36 119.26 118.49 1w3h h ALA 274 Ca -0.18 0.13 0.26 0.00 0.00 0.00 0.00 54.91 55.12 1w3h h ALA 274 Cb 1.22 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 1w3h h ALA 274 CO 0.28 -0.35 0.66 0.78 0.00 0.00 0.00 179.25 180.63 1w3h h GLY 275 N 0.18 0.40 1.86 0.00 0.00 -1.97 -0.02 103.07 103.53 1w3h h GLY 275 Ca 0.26 -0.08 -0.11 0.00 0.00 0.00 0.00 47.33 47.40 1w3h h GLY 275 CO -0.38 -0.02 -0.47 1.41 0.00 0.00 0.00 176.54 177.07 1w3h h LEU 276 N 0.16 0.16 -0.03 3.11 3.38 -1.46 0.35 115.31 120.98 1w3h h LEU 276 Ca 0.48 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 58.19 1w3h h LEU 276 Cb 1.62 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 42.33 1w3h h LEU 276 CO -0.09 0.61 -0.70 0.44 0.09 0.00 0.00 178.44 178.79 1w3h h ASP 277 N 0.12 0.67 -0.55 -0.43 3.32 -0.94 -2.50 116.42 116.12 1w3h h ASP 277 Ca 0.01 -0.73 -0.01 0.00 0.02 0.00 0.00 57.03 56.32 1w3h h ASP 277 Cb 0.88 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 1w3h h ASP 277 CO 0.07 1.30 0.32 -0.09 -1.72 0.00 0.00 179.24 179.12 1w3h h ARG 278 N 0.10 0.78 -0.62 3.56 9.65 -1.36 -2.78 114.38 123.71 1w3h h ARG 278 Ca -0.08 -0.08 -0.03 0.00 -1.10 0.00 0.00 59.98 58.69 1w3h h ARG 278 Cb 1.38 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 29.77 1w3h h ARG 278 CO 0.14 0.57 0.26 0.37 2.80 0.00 0.00 179.97 184.11 1w3h h GLN 279 N 0.79 0.89 -0.25 0.20 4.15 -0.78 0.24 115.11 120.35 1w3h h GLN 279 Ca 0.20 -0.13 0.05 0.00 0.77 0.00 0.00 58.65 59.54 1w3h h GLN 279 Cb 0.01 -0.16 -0.05 0.00 0.21 0.00 0.00 27.48 27.50 1w3h h GLN 279 CO -0.03 0.72 -0.05 -0.22 -1.93 0.00 0.00 178.83 177.31 1w3h h LYS 280 N 0.88 0.01 -0.57 1.69 3.64 -1.18 -1.32 116.57 119.72 1w3h h LYS 280 Ca 0.21 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 1w3h h LYS 280 Cb 0.15 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1w3h h LYS 280 CO -0.02 0.01 0.18 0.00 -2.27 0.00 0.00 179.45 177.34 1w3h h ALA 281 N 1.25 1.23 -0.05 5.00 0.00 -1.09 -1.60 119.26 124.00 1w3h h ALA 281 Ca 0.12 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1w3h h ALA 281 Cb 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1w3h h ALA 281 CO -0.25 0.54 -0.11 -0.09 0.00 0.00 0.00 179.25 179.34 1w3h h ARG 282 N 0.84 0.17 -0.48 0.00 9.65 -0.39 0.82 114.38 124.98 1w3h h ARG 282 Ca 0.19 -0.11 0.05 0.00 -1.10 0.00 0.00 59.98 59.01 1w3h h ARG 282 Cb 0.25 0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.79 1w3h h ARG 282 CO -0.01 0.70 0.20 1.88 2.80 0.00 0.00 179.97 185.54 1w3h h TYR 283 N -0.34 0.36 -0.00 2.20 0.05 -1.23 -1.48 116.97 116.53 1w3h h TYR 283 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1w3h h TYR 283 Cb 0.70 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 38.34 1w3h h TYR 283 CO 0.12 0.15 0.00 -0.22 -1.05 0.00 0.00 178.16 177.16 1w3h h LYS 284 N 0.40 0.00 -0.41 4.88 3.64 -1.14 -1.56 116.57 122.38 1w3h h LYS 284 Ca 0.22 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.54 1w3h h LYS 284 Cb 0.19 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1w3h h LYS 284 CO -0.19 0.02 -0.00 1.05 -2.27 0.00 0.00 179.45 178.05 1w3h h GLU 285 N -0.01 0.66 0.13 1.90 4.11 -0.70 0.32 114.58 120.99 1w3h h GLU 285 Ca 0.00 -0.16 -0.01 0.00 0.07 0.00 0.00 59.36 59.27 1w3h h GLU 285 Cb 0.02 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1w3h h GLU 285 CO -0.00 0.68 -0.06 0.82 0.07 0.00 0.00 179.01 180.51 1w3h h ILE 286 N 0.62 1.00 -0.87 -1.06 2.04 -1.10 0.06 117.51 118.19 1w3h h ILE 286 Ca 0.13 -0.53 0.06 0.00 1.00 0.00 0.00 64.86 65.52 1w3h h ILE 286 Cb 0.39 1.33 -0.06 0.00 -0.74 0.00 0.00 36.82 37.75 1w3h h ILE 286 CO 0.01 0.13 0.57 0.58 0.00 0.00 0.00 178.15 179.44 1w3h h VAL 287 N -0.42 1.06 -0.37 1.67 2.07 -1.12 -0.60 116.25 118.55 1w3h h VAL 287 Ca -0.02 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 1w3h h VAL 287 Cb 0.34 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1w3h h VAL 287 CO 0.03 0.18 -0.00 1.56 0.02 0.00 0.00 177.57 179.35 1w3h h GLN 288 N 0.98 0.65 -0.28 1.57 4.20 -0.79 -1.59 115.11 119.85 1w3h h GLN 288 Ca 0.37 -0.21 0.06 0.00 0.06 0.00 0.00 58.65 58.93 1w3h h GLN 288 Cb 0.20 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.87 1w3h h GLN 288 CO -0.14 0.76 -0.08 0.00 -0.67 0.00 0.00 178.83 178.71 1w3h h ALA 289 N 0.87 0.17 -0.19 3.87 0.00 -0.55 -0.88 119.26 122.55 1w3h h ALA 289 Ca 0.10 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1w3h h ALA 289 Cb 0.47 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1w3h h ALA 289 CO 0.02 -0.47 -0.05 -0.92 0.00 0.00 0.00 179.25 177.83 1w3h h TYR 290 N -0.01 -0.11 -0.54 0.00 3.20 -0.96 -1.70 116.97 116.85 1w3h h TYR 290 Ca 0.14 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 1w3h h TYR 290 Cb 0.22 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 1w3h h TYR 290 CO -0.28 -0.08 0.23 -0.07 -1.64 0.00 0.00 178.16 176.31 1w3h h LEU 291 N -0.00 0.70 -0.18 2.82 3.38 -1.10 -0.52 115.31 120.41 1w3h h LEU 291 Ca 0.09 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1w3h h LEU 291 Cb 0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1w3h h LEU 291 CO -0.19 0.62 -0.49 -0.08 0.09 0.00 0.00 178.44 178.39 1w3h h GLU 292 N 0.77 0.00 0.00 1.13 4.81 -0.48 -3.33 114.58 117.47 1w3h h GLU 292 Ca 0.19 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.34 1w3h h GLU 292 Cb 0.13 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1w3h h GLU 292 CO -0.02 0.49 -1.71 1.55 -0.73 0.00 0.00 179.01 178.59 1w3h n VAL 293 N -3.28 0.30 -3.20 0.32 3.14 -0.70 -4.89 118.33 110.02 1w3h n VAL 293 Ca 0.02 -0.39 -0.42 0.00 -2.96 0.00 0.00 64.34 60.59 1w3h n VAL 293 Cb 0.70 -0.11 -0.08 0.00 -1.06 0.00 0.00 33.84 33.30 1w3h n VAL 293 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1w3h s VAL 294 N -2.72 4.96 0.48 1.55 1.01 -0.21 -4.91 120.40 120.56 1w3h s VAL 294 Ca -0.05 0.23 -0.24 0.00 0.00 0.00 0.00 61.98 61.92 1w3h s VAL 294 Cb 0.07 -4.05 -0.07 0.00 0.00 0.00 0.00 36.38 32.34 1w3h s VAL 294 CO 0.55 -0.35 1.33 -2.84 0.00 0.00 0.00 175.10 173.79 1w3h s PRO 295 N 2.50 3.55 0.32 2.72 0.02 -1.26 -4.75 135.00 138.09 1w3h s PRO 295 Ca 0.19 2.17 0.09 0.00 0.02 0.00 0.00 61.00 63.48 1w3h s PRO 295 Cb -0.15 -2.48 0.89 0.00 0.02 0.00 0.00 34.50 32.78 1w3h s PRO 295 CO 0.15 -0.84 1.70 -1.35 -0.33 0.00 0.00 177.00 176.32 1w3h h PRO 296 N 2.01 0.42 0.00 5.54 0.11 -1.96 -0.28 132.00 137.84 1w3h h PRO 296 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1w3h h PRO 296 Cb 1.27 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1w3h h PRO 296 CO 0.60 0.28 0.00 0.41 -0.21 0.00 0.00 178.00 179.08 1w3h n GLY 297 N -1.32 -0.78 0.07 -0.55 0.00 -1.26 -3.00 105.19 98.35 1w3h n GLY 297 Ca 0.27 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.29 1w3h n GLY 297 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1w3h n ARG 298 N -1.45 1.83 -2.95 1.61 1.74 -0.12 -4.95 116.66 112.38 1w3h n ARG 298 Ca 0.03 -1.77 -0.43 0.00 -0.77 0.00 0.00 57.85 54.91 1w3h n ARG 298 Cb 0.10 -1.10 -0.04 0.00 -1.02 0.00 0.00 32.46 30.40 1w3h n ARG 298 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1w3h s ARG 299 N -1.52 3.15 0.25 5.56 0.52 -1.16 -1.44 118.95 124.30 1w3h s ARG 299 Ca 0.12 -0.81 0.25 0.00 -0.52 0.00 0.00 55.73 54.78 1w3h s ARG 299 Cb 0.10 -4.18 0.86 0.00 0.52 0.00 0.00 34.95 32.26 1w3h s ARG 299 CO 0.01 -1.60 1.76 0.78 0.02 0.00 0.00 175.30 176.27 1w3h h GLY 300 N 10.76 0.00 0.00 -3.53 0.00 -1.15 -3.44 103.07 105.71 1w3h h GLY 300 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1w3h h GLY 300 CO 1.11 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.26 1w3h n GLY 301 N 0.82 3.10 2.99 4.60 0.00 -1.25 -4.41 105.19 111.03 1w3h n GLY 301 Ca 0.04 -1.88 -0.27 0.00 0.00 0.00 0.00 46.02 43.91 1w3h n GLY 301 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1w3h s ILE 302 N -2.08 1.23 -0.03 -0.61 1.01 -0.47 -0.28 121.20 119.97 1w3h s ILE 302 Ca 0.00 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.24 1w3h s ILE 302 Cb 0.00 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 1w3h s ILE 302 CO 0.00 0.39 -0.20 -0.89 0.00 0.00 0.00 174.94 174.25 1w3h s THR 303 N 1.21 1.58 -0.06 2.92 2.01 0.05 -0.91 115.64 122.44 1w3h s THR 303 Ca -0.03 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.09 1w3h s THR 303 Cb -0.14 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.00 1w3h s THR 303 CO -0.03 0.45 0.15 0.68 -0.69 0.00 0.00 174.62 175.17 1w3h s VAL 304 N -0.27 5.34 -1.49 3.82 -7.23 -0.55 -1.25 120.40 118.78 1w3h s VAL 304 Ca 0.03 -0.04 -0.08 0.00 -1.81 0.00 0.00 61.98 60.08 1w3h s VAL 304 Cb -0.10 -3.41 -0.00 0.00 0.56 0.00 0.00 36.38 33.43 1w3h s VAL 304 CO 0.01 0.46 2.73 1.87 -0.31 0.00 0.00 175.10 179.85 1w3h n TRP 305 N 1.44 2.48 0.00 2.82 -0.00 0.13 -2.00 117.44 122.31 1w3h n TRP 305 Ca -0.15 -2.97 0.00 0.00 -0.00 0.00 0.00 57.50 54.37 1w3h n TRP 305 Cb 0.54 -2.21 0.00 0.00 -0.00 0.00 0.00 31.31 29.63 1w3h n TRP 305 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1w3h n GLY 306 N 2.78 3.10 0.06 5.87 0.00 -1.24 -4.74 105.19 111.02 1w3h n GLY 306 Ca 0.72 -1.92 -0.04 0.00 0.00 0.00 0.00 46.02 44.78 1w3h n GLY 306 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1w3h n ILE 307 N -1.39 1.15 -4.40 -0.61 5.41 -1.26 -4.73 119.36 113.53 1w3h n ILE 307 Ca 0.00 0.27 -0.27 0.00 1.00 0.00 0.00 62.75 63.76 1w3h n ILE 307 Cb 0.00 -2.22 -0.12 0.00 -0.71 0.00 0.00 39.64 36.59 1w3h n ILE 307 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1w3h s ALA 308 N -2.78 2.39 0.17 -1.39 0.00 -1.26 -3.26 121.76 115.62 1w3h s ALA 308 Ca -0.12 -1.56 -0.22 0.00 0.00 0.00 0.00 51.96 50.07 1w3h s ALA 308 Cb 0.02 -0.32 0.08 0.00 0.00 0.00 0.00 23.12 22.89 1w3h s ALA 308 CO 0.18 0.43 1.61 -0.44 0.00 0.00 0.00 175.76 177.53 1w3h h ASP 309 N 3.43 -0.98 -0.15 0.00 3.32 -1.39 0.15 116.42 120.80 1w3h h ASP 309 Ca -0.47 0.18 0.04 0.00 0.02 0.00 0.00 57.03 56.81 1w3h h ASP 309 Cb 1.20 0.47 -0.01 0.00 0.22 0.00 0.00 39.33 41.22 1w3h h ASP 309 CO 0.46 -0.30 0.34 -0.65 -1.72 0.00 0.00 179.24 177.36 1w3h h PRO 310 N -0.22 0.00 0.00 3.56 0.11 -1.88 -1.28 132.00 132.30 1w3h h PRO 310 Ca 0.18 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.29 1w3h h PRO 310 Cb 0.52 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.63 1w3h h PRO 310 CO -0.53 0.00 -0.00 -0.44 -0.21 0.00 0.00 178.00 176.82 1w3h h ASP 311 N 0.00 0.00 -3.91 -2.05 3.32 -1.38 -3.47 116.42 108.94 1w3h h ASP 311 Ca 0.07 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.61 1w3h h ASP 311 Cb 0.74 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.35 1w3h h ASP 311 CO -0.00 0.00 0.55 -0.55 -1.72 0.00 0.00 179.24 177.52 1w3h s SER 312 N -6.03 6.67 0.44 6.45 0.15 -0.48 -4.90 113.70 115.99 1w3h s SER 312 Ca 0.05 2.47 0.30 0.00 0.70 0.00 0.00 55.95 59.47 1w3h s SER 312 Cb 0.06 -2.63 1.59 0.00 -1.71 0.00 0.00 66.02 63.34 1w3h s SER 312 CO 0.63 -0.59 1.92 4.11 1.20 0.00 0.00 173.24 180.51 1w3h h TRP 313 N 3.01 0.00 -0.36 3.44 5.08 -1.88 -1.63 115.95 123.61 1w3h h TRP 313 Ca -0.49 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.48 1w3h h TRP 313 Cb 1.23 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.39 1w3h h TRP 313 CO 0.55 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 178.99 1w3h n LEU 314 N -2.57 3.44 -0.09 0.11 4.77 -1.26 -4.55 117.00 116.86 1w3h n LEU 314 Ca -0.02 -2.37 0.24 0.00 -0.03 0.00 0.00 56.01 53.83 1w3h n LEU 314 Cb 0.07 -0.37 0.70 0.00 -2.33 0.00 0.00 43.42 41.49 1w3h n LEU 314 CO 0.14 0.73 1.22 0.22 -1.33 0.00 0.00 177.39 178.37 1w3h h TYR 315 N 2.21 0.02 -3.99 -1.77 3.20 -1.50 -3.35 116.97 111.78 1w3h h TYR 315 Ca 0.00 0.00 -0.39 0.00 3.14 0.00 0.00 58.73 61.48 1w3h h TYR 315 Cb 1.04 -0.01 -0.24 0.00 1.54 0.00 0.00 36.73 39.06 1w3h h TYR 315 CO 0.38 0.01 -0.77 0.95 -1.64 0.00 0.00 178.16 177.08 1w3h s THR 316 N -5.01 0.90 -0.21 1.81 -4.23 -1.26 -0.42 115.64 107.22 1w3h s THR 316 Ca -0.05 -0.97 -0.18 0.00 -1.18 0.00 0.00 61.69 59.32 1w3h s THR 316 Cb 0.21 -0.85 0.06 0.00 1.34 0.00 0.00 72.50 73.25 1w3h s THR 316 CO 0.75 -0.10 0.54 -1.38 -0.54 0.00 0.00 174.62 173.89 1w3h s HIS 317 N -0.94 -0.64 -1.67 3.99 -3.43 0.74 -4.89 115.29 108.46 1w3h s HIS 317 Ca -0.01 1.50 -0.02 0.00 -0.80 0.00 0.00 55.06 55.72 1w3h s HIS 317 Cb -0.08 0.25 0.00 0.00 -1.43 0.00 0.00 32.58 31.32 1w3h s HIS 317 CO 0.01 -0.31 0.33 1.04 -2.00 0.00 0.00 174.74 173.80 1w3h n GLN 318 N 3.08 -3.42 -3.51 -0.38 3.00 -1.26 -0.38 117.38 114.51 1w3h n GLN 318 Ca -0.15 0.96 -0.26 0.00 -0.01 0.00 0.00 57.00 57.54 1w3h n GLN 318 Cb 0.56 -5.74 0.02 0.00 0.00 0.00 0.00 30.24 25.08 1w3h n GLN 318 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1w3h n ASN 319 N -2.29 -4.74 -4.31 1.08 3.02 -1.26 -4.99 115.26 101.76 1w3h n ASN 319 Ca -0.18 -0.52 -0.27 0.00 -0.03 0.00 0.00 54.58 53.58 1w3h n ASN 319 Cb 0.65 -3.84 -0.13 0.00 -0.61 0.00 0.00 39.78 35.86 1w3h n ASN 319 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1w3h s LEU 320 N -6.86 2.25 0.56 3.41 1.43 0.49 -5.09 118.68 114.88 1w3h s LEU 320 Ca 0.49 -0.65 -0.17 0.00 -1.03 0.00 0.00 54.13 52.77 1w3h s LEU 320 Cb -0.24 -1.05 -0.05 0.00 0.03 0.00 0.00 46.19 44.87 1w3h s LEU 320 CO 0.60 0.14 1.06 -2.16 0.23 0.00 0.00 176.35 176.23 1w3h s PRO 321 N -1.68 3.44 0.26 1.29 0.04 -1.26 -0.18 135.00 136.91 1w3h s PRO 321 Ca 0.09 1.29 -0.13 0.00 0.04 0.00 0.00 61.00 62.30 1w3h s PRO 321 Cb -0.10 -2.04 -0.00 0.00 0.04 0.00 0.00 34.50 32.40 1w3h s PRO 321 CO 0.04 -0.72 0.50 0.34 0.04 0.00 0.00 177.00 177.20 1w3h s ASP 322 N -2.47 -0.03 -0.40 6.66 -1.08 0.44 -4.70 116.67 115.08 1w3h s ASP 322 Ca 0.65 -0.95 0.08 0.00 -0.52 0.00 0.00 52.55 51.81 1w3h s ASP 322 Cb -0.17 0.61 0.24 0.00 -1.46 0.00 0.00 42.92 42.14 1w3h s ASP 322 CO 0.31 -1.18 0.51 0.79 0.52 0.00 0.00 175.17 176.12 1w3h n TRP 323 N -0.40 -0.30 0.88 -5.34 8.01 -1.26 -4.50 117.44 114.52 1w3h n TRP 323 Ca -0.02 -3.56 0.13 0.00 -1.31 0.00 0.00 57.50 52.74 1w3h n TRP 323 Cb 0.62 -0.31 0.40 0.00 -2.01 0.00 0.00 31.31 30.01 1w3h n TRP 323 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.69 174.38 1w3h n PRO 324 N 1.51 0.08 -2.90 -0.99 -0.02 -1.26 -4.71 135.00 126.72 1w3h n PRO 324 Ca 0.22 0.05 -0.14 0.00 -2.02 0.00 0.00 63.50 61.61 1w3h n PRO 324 Cb 0.52 -1.57 -0.01 0.00 -0.02 0.00 0.00 33.50 32.41 1w3h n PRO 324 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1w3h n LEU 325 N -1.71 0.00 0.16 2.45 4.77 -1.26 -2.03 117.00 119.38 1w3h n LEU 325 Ca 0.06 -1.44 0.10 0.00 -0.03 0.00 0.00 56.01 54.69 1w3h n LEU 325 Cb 0.37 0.06 0.08 0.00 -2.33 0.00 0.00 43.42 41.60 1w3h n LEU 325 CO 0.31 -0.33 0.45 -0.07 -1.33 0.00 0.00 177.39 176.43 1w3h h LEU 326 N 0.00 0.00 -8.64 2.23 3.38 -1.85 -3.46 115.31 106.97 1w3h h LEU 326 Ca -0.18 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.10 1w3h h LEU 326 Cb 0.61 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.08 1w3h h LEU 326 CO 0.29 0.09 -0.84 -0.36 0.09 0.00 0.00 178.44 177.72 1w3h s PHE 327 N -3.21 2.54 0.00 1.13 0.08 -1.20 -0.79 117.98 116.52 1w3h s PHE 327 Ca 0.04 -0.50 0.00 0.00 0.12 0.00 0.00 56.93 56.59 1w3h s PHE 327 Cb 0.07 -1.62 0.00 0.00 -0.57 0.00 0.00 43.02 40.90 1w3h s PHE 327 CO 0.73 -0.07 0.00 0.27 -0.10 0.00 0.00 175.22 176.05 1w3h n ASN 328 N 2.74 0.00 0.31 1.36 0.23 -0.04 -1.36 115.26 118.50 1w3h n ASN 328 Ca -0.17 -0.81 0.19 0.00 -0.53 0.00 0.00 54.58 53.25 1w3h n ASN 328 Cb 0.52 0.00 1.02 0.00 -2.08 0.00 0.00 39.78 39.24 1w3h n ASN 328 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1w3h h ASP 329 N 0.00 0.00 -0.55 0.53 5.19 -1.90 -0.49 116.42 119.21 1w3h h ASP 329 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1w3h h ASP 329 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1w3h h ASP 329 CO 0.00 0.02 0.00 0.59 -3.12 0.00 0.00 179.24 176.73 1w3h n ASN 330 N -3.41 4.89 -1.46 6.45 5.03 -1.26 -4.93 115.26 120.56 1w3h n ASN 330 Ca -0.03 -2.68 -0.16 0.00 0.87 0.00 0.00 54.58 52.59 1w3h n ASN 330 Cb 0.11 -0.59 -0.04 0.00 -1.02 0.00 0.00 39.78 38.24 1w3h n ASN 330 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1w3h n LEU 331 N 0.68 -1.39 -4.85 3.41 4.77 -0.19 -4.99 117.00 114.43 1w3h n LEU 331 Ca 0.25 0.23 -0.37 0.00 -0.03 0.00 0.00 56.01 56.08 1w3h n LEU 331 Cb 0.98 -2.32 -0.06 0.00 -2.33 0.00 0.00 43.42 39.68 1w3h n LEU 331 CO 0.25 -0.56 0.01 -1.10 -1.33 0.00 0.00 177.39 174.66 1w3h s GLN 332 N -3.93 3.74 0.34 3.23 -0.21 -1.26 -4.81 119.66 116.75 1w3h s GLN 332 Ca 0.00 0.21 -0.29 0.00 0.02 0.00 0.00 55.36 55.30 1w3h s GLN 332 Cb 0.00 -3.19 -0.11 0.00 1.00 0.00 0.00 33.01 30.71 1w3h s GLN 332 CO 0.00 0.71 1.51 -1.25 -2.12 0.00 0.00 175.29 174.14 1w3h s PRO 333 N -1.14 4.13 0.46 2.91 0.04 -1.26 -0.86 135.00 139.28 1w3h s PRO 333 Ca 0.22 2.55 0.05 0.00 0.04 0.00 0.00 61.00 63.85 1w3h s PRO 333 Cb -0.15 -3.00 0.01 0.00 0.04 0.00 0.00 34.50 31.41 1w3h s PRO 333 CO 0.11 -0.55 0.64 0.15 0.04 0.00 0.00 177.00 177.39 1w3h s LYS 334 N -1.45 2.79 0.38 4.56 1.02 0.03 -4.85 119.74 122.22 1w3h s LYS 334 Ca 0.57 -0.97 0.18 0.00 0.02 0.00 0.00 55.97 55.76 1w3h s LYS 334 Cb -0.46 -2.65 1.10 0.00 -0.52 0.00 0.00 37.83 35.30 1w3h s LYS 334 CO 0.56 -0.38 1.72 -1.35 -0.92 0.00 0.00 175.35 174.98 1w3h h PRO 335 N 0.45 0.37 -0.94 -1.68 0.11 -1.88 0.98 132.00 129.40 1w3h h PRO 335 Ca -0.42 -0.02 0.24 0.00 0.11 0.00 0.00 66.00 65.91 1w3h h PRO 335 Cb 1.28 -0.08 -0.13 0.00 0.11 0.00 0.00 31.00 32.18 1w3h h PRO 335 CO 0.50 0.24 0.46 0.00 -0.21 0.00 0.00 178.00 178.99 1w3h h ALA 336 N 1.68 1.58 -0.16 -0.75 0.00 -1.83 -0.85 119.26 118.94 1w3h h ALA 336 Ca 0.66 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.72 1w3h h ALA 336 Cb 1.63 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 1w3h h ALA 336 CO -0.40 -0.35 0.06 -0.92 0.00 0.00 0.00 179.25 177.63 1w3h h TYR 337 N 0.43 0.25 0.00 0.00 5.03 -0.97 -2.60 116.97 119.11 1w3h h TYR 337 Ca 0.60 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.88 1w3h h TYR 337 Cb 1.18 -0.07 -0.00 0.00 1.55 0.00 0.00 36.73 39.38 1w3h h TYR 337 CO -0.09 0.33 -0.06 0.37 -1.32 0.00 0.00 178.16 177.39 1w3h h GLN 338 N 0.09 0.00 -0.40 1.82 5.75 -1.18 -1.33 115.11 119.85 1w3h h GLN 338 Ca 0.05 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.41 1w3h h GLN 338 Cb 0.19 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 1w3h h GLN 338 CO -0.00 0.06 -0.32 0.78 -2.65 0.00 0.00 178.83 176.70 1w3h h GLY 339 N 1.05 0.99 0.84 2.39 0.00 -0.88 -2.26 103.07 105.20 1w3h h GLY 339 Ca -0.00 -0.94 -0.07 0.00 0.00 0.00 0.00 47.33 46.32 1w3h h GLY 339 CO 0.01 0.86 -0.12 -2.08 0.00 0.00 0.00 176.54 175.20 1w3h h VAL 340 N 0.76 1.31 -0.36 4.60 2.07 -1.04 -2.18 116.25 121.41 1w3h h VAL 340 Ca 0.08 -1.21 0.08 0.00 0.82 0.00 0.00 66.70 66.47 1w3h h VAL 340 Cb 0.89 1.61 -0.08 0.00 -1.52 0.00 0.00 31.29 32.19 1w3h h VAL 340 CO 0.08 0.37 -0.18 0.58 0.02 0.00 0.00 177.57 178.44 1w3h h VAL 341 N 0.19 0.46 -0.26 2.57 2.07 -1.31 -1.48 116.25 118.49 1w3h h VAL 341 Ca 0.05 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.46 1w3h h VAL 341 Cb 0.63 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1w3h h VAL 341 CO 0.04 0.00 -0.29 -0.33 0.02 0.00 0.00 177.57 177.01 1w3h h GLU 342 N -0.12 0.53 -0.44 1.57 5.08 -1.37 0.35 114.58 120.18 1w3h h GLU 342 Ca 0.18 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1w3h h GLU 342 Cb 0.40 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1w3h h GLU 342 CO -0.44 0.76 0.09 0.00 -1.00 0.00 0.00 179.01 178.43 1w3h h ALA 343 N 1.23 0.59 0.00 3.43 0.00 -1.05 0.47 119.26 123.93 1w3h h ALA 343 Ca 0.06 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1w3h h ALA 343 Cb 0.74 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1w3h h ALA 343 CO 0.06 0.28 -0.34 -0.07 0.00 0.00 0.00 179.25 179.18 1w3h h LEU 344 N 0.59 0.00 0.00 0.00 3.38 -1.03 -3.40 115.31 114.85 1w3h h LEU 344 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1w3h h LEU 344 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1w3h h LEU 344 CO 0.00 0.34 -0.10 -1.20 0.09 0.00 0.00 178.44 177.58 1w3h n SER 345 N -3.46 0.19 0.00 -0.43 7.64 0.12 -4.88 113.62 112.80 1w3h n SER 345 Ca 0.00 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1w3h n SER 345 Cb 0.51 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1w3h n SER 345 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64