#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g2x s TYR 3 N 0.00 2.68 0.34 0.00 2.02 -1.26 -2.42 117.35 118.71 2g2x s TYR 3 Ca 0.00 -0.18 0.00 0.00 -0.37 0.00 0.00 57.07 56.52 2g2x s TYR 3 Cb 0.00 -1.55 0.00 0.00 -0.40 0.00 0.00 41.96 40.01 2g2x s TYR 3 CO 0.00 0.26 0.44 0.91 -1.57 0.00 0.00 175.55 175.60 2g2x n TRP 4 N 1.76 -1.31 -4.16 2.71 7.02 -0.59 -0.97 117.44 121.89 2g2x n TRP 4 Ca -0.16 -2.42 -0.14 0.00 -1.02 0.00 0.00 57.50 53.77 2g2x n TRP 4 Cb 0.52 0.50 -0.08 0.00 -2.42 0.00 0.00 31.31 29.83 2g2x n TRP 4 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2g2x s LEU 5 N 0.00 1.10 0.01 -0.99 0.20 -1.26 -0.78 118.68 116.96 2g2x s LEU 5 Ca 0.31 -1.41 -0.06 0.00 0.69 0.00 0.00 54.13 53.66 2g2x s LEU 5 Cb -0.00 0.89 -0.00 0.00 -0.43 0.00 0.00 46.19 46.64 2g2x s LEU 5 CO 0.22 -1.04 0.10 -0.54 -0.29 0.00 0.00 176.35 174.81 2g2x s LYS 7 N -3.76 0.47 -0.27 1.98 1.02 -0.14 -4.26 119.74 114.79 2g2x s LYS 7 Ca 0.35 -0.49 -0.22 0.00 0.02 0.00 0.00 55.97 55.63 2g2x s LYS 7 Cb 0.03 0.19 0.07 0.00 -0.52 0.00 0.00 37.83 37.60 2g2x s LYS 7 CO 0.17 -0.11 0.70 0.45 -0.92 0.00 0.00 175.35 175.64 2g2x s SER 8 N -1.51 -0.80 -0.10 2.83 0.15 -0.01 -4.92 113.70 109.35 2g2x s SER 8 Ca -0.14 1.45 -0.30 0.00 0.70 0.00 0.00 55.95 57.67 2g2x s SER 8 Cb -0.07 1.42 -0.02 0.00 -1.71 0.00 0.00 66.02 65.64 2g2x s SER 8 CO 0.00 -0.24 1.19 -0.70 1.20 0.00 0.00 173.24 174.69 2g2x s GLU 9 N 0.79 4.32 0.27 5.44 2.12 -1.26 -1.89 118.70 128.49 2g2x s GLU 9 Ca -0.03 1.63 -0.00 0.00 0.36 0.00 0.00 54.97 56.93 2g2x s GLU 9 Cb -0.05 -3.62 0.62 0.00 0.26 0.00 0.00 34.13 31.34 2g2x s GLU 9 CO -0.06 -0.52 1.66 -1.35 -0.54 0.00 0.00 175.26 174.46 2g2x h PRO 10 N 7.63 0.24 0.00 4.30 0.11 -1.73 0.12 132.00 142.66 2g2x h PRO 10 Ca -0.31 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 2g2x h PRO 10 Cb 1.14 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2g2x h PRO 10 CO 0.91 0.16 -0.07 -0.44 -0.21 0.00 0.00 178.00 178.35 2g2x h ASP 11 N 0.25 0.00 0.06 -2.05 3.32 -1.93 -2.75 116.42 113.32 2g2x h ASP 11 Ca 0.50 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.27 2g2x h ASP 11 Cb 0.96 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 2g2x h ASP 11 CO -0.60 0.07 -1.55 -0.08 -1.72 0.00 0.00 179.24 175.36 2g2x h GLU 12 N 0.00 0.13 -1.05 3.56 4.57 -1.27 -3.47 114.58 117.05 2g2x h GLU 12 Ca -0.00 -0.22 0.10 0.00 -1.18 0.00 0.00 59.36 58.06 2g2x h GLU 12 Cb 0.26 0.08 -0.21 0.00 -0.16 0.00 0.00 28.75 28.72 2g2x h GLU 12 CO 0.01 1.10 -0.22 -1.17 -1.18 0.00 0.00 179.01 177.55 2g2x s LEU 13 N -7.53 -1.29 0.40 1.64 2.96 0.06 -5.05 118.68 109.88 2g2x s LEU 13 Ca -0.25 0.90 0.08 0.00 -0.22 0.00 0.00 54.13 54.64 2g2x s LEU 13 Cb 0.06 2.12 -0.01 0.00 0.50 0.00 0.00 46.19 48.86 2g2x s LEU 13 CO 0.68 -0.24 0.46 -0.94 -1.32 0.00 0.00 176.35 174.98 2g2x s SER 14 N 2.87 5.42 0.36 3.68 1.04 -1.08 -4.09 113.70 121.89 2g2x s SER 14 Ca 0.16 -0.53 0.10 0.00 0.48 0.00 0.00 55.95 56.16 2g2x s SER 14 Cb -0.14 -0.72 0.69 0.00 0.10 0.00 0.00 66.02 65.95 2g2x s SER 14 CO -0.20 -0.64 1.84 -0.29 0.98 0.00 0.00 173.24 174.93 2g2x h ILE 15 N 0.88 1.23 -0.10 -1.02 6.09 -1.93 -1.76 117.51 120.90 2g2x h ILE 15 Ca -0.42 -1.08 -0.02 0.00 -1.37 0.00 0.00 64.86 61.97 2g2x h ILE 15 Cb 1.27 1.45 -0.00 0.00 0.47 0.00 0.00 36.82 40.01 2g2x h ILE 15 CO 0.52 0.32 -0.03 -0.33 -3.07 0.00 0.00 178.15 175.56 2g2x h GLU 16 N 0.16 0.19 -0.93 2.19 3.07 -1.95 -2.22 114.58 115.08 2g2x h GLU 16 Ca 0.02 -0.08 0.05 0.00 -0.50 0.00 0.00 59.36 58.85 2g2x h GLU 16 Cb 0.55 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.39 2g2x h GLU 16 CO 0.04 0.52 0.60 0.00 -1.40 0.00 0.00 179.01 178.77 2g2x h ALA 17 N 0.67 1.25 -0.68 3.43 0.00 -1.89 -1.18 119.26 120.87 2g2x h ALA 17 Ca 0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2g2x h ALA 17 Cb 0.45 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2g2x h ALA 17 CO 0.01 0.43 0.22 1.25 0.00 0.00 0.00 179.25 181.17 2g2x h LEU 18 N 1.14 0.97 -0.79 0.00 5.85 -1.25 0.90 115.31 122.13 2g2x h LEU 18 Ca 0.38 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.95 2g2x h LEU 18 Cb 0.06 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 2g2x h LEU 18 CO -0.14 0.90 0.51 0.00 -0.34 0.00 0.00 178.44 179.37 2g2x h ALA 19 N 1.23 1.01 -0.29 1.25 0.00 -0.61 -0.60 119.26 121.25 2g2x h ALA 19 Ca 0.22 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 2g2x h ALA 19 Cb 0.27 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2g2x h ALA 19 CO -0.01 0.38 -0.50 0.00 0.00 0.00 0.00 179.25 179.12 2g2x h ARG 20 N 1.04 0.82 -0.03 0.00 3.08 -0.65 -3.22 114.38 115.42 2g2x h ARG 20 Ca 0.30 -0.49 -0.12 0.00 0.07 0.00 0.00 59.98 59.73 2g2x h ARG 20 Cb -0.08 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2g2x h ARG 20 CO -0.08 1.12 -0.55 -0.07 -1.07 0.00 0.00 179.97 179.33 2g2x h LEU 21 N 0.64 0.09 0.00 3.04 3.38 -0.54 -3.48 115.31 118.44 2g2x h LEU 21 Ca 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2g2x h LEU 21 Cb 1.09 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2g2x h LEU 21 CO 0.11 0.62 0.00 0.61 0.09 0.00 0.00 178.44 179.87 2g2x n GLY 22 N 0.07 2.11 3.12 0.83 0.00 -0.26 -4.83 105.19 106.23 2g2x n GLY 22 Ca -0.02 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.33 2g2x n GLY 22 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2g2x s GLU 23 N 0.00 1.60 0.05 1.61 2.12 -1.26 -3.63 118.70 119.19 2g2x s GLU 23 Ca 0.00 -0.57 0.00 0.00 0.36 0.00 0.00 54.97 54.76 2g2x s GLU 23 Cb 0.00 -1.43 -0.03 0.00 0.26 0.00 0.00 34.13 32.93 2g2x s GLU 23 CO 0.00 0.25 -0.04 0.00 -0.54 0.00 0.00 175.26 174.92 2g2x s ALA 24 N -0.01 0.49 0.04 6.30 0.00 -0.34 -4.98 121.76 123.26 2g2x s ALA 24 Ca -0.02 -1.02 -0.22 0.00 0.00 0.00 0.00 51.96 50.70 2g2x s ALA 24 Cb -0.10 0.20 -0.06 0.00 0.00 0.00 0.00 23.12 23.15 2g2x s ALA 24 CO 0.01 -0.25 0.66 0.50 0.00 0.00 0.00 175.76 176.68 2g2x s ARG 25 N -3.00 4.38 -0.78 0.00 3.52 -1.26 -0.75 118.95 121.06 2g2x s ARG 25 Ca -0.00 0.87 -0.13 0.00 -0.13 0.00 0.00 55.73 56.34 2g2x s ARG 25 Cb 0.01 -3.33 0.21 0.00 -1.56 0.00 0.00 34.95 30.28 2g2x s ARG 25 CO -0.06 0.40 0.71 -0.46 -0.81 0.00 0.00 175.30 175.09 2g2x s TRP 26 N -0.37 3.69 0.51 5.12 -0.11 0.10 -4.94 118.94 122.95 2g2x s TRP 26 Ca 0.33 -1.97 0.05 0.00 1.22 0.00 0.00 56.10 55.74 2g2x s TRP 26 Cb -0.20 -3.77 0.01 0.00 -1.50 0.00 0.00 33.47 28.01 2g2x s TRP 26 CO 0.20 -0.98 0.33 0.16 -4.62 0.00 0.00 176.95 172.03 2g2x s ASP 27 N 2.22 4.59 0.00 5.86 1.47 -1.26 -3.13 116.67 126.42 2g2x s ASP 27 Ca 0.16 -1.22 0.00 0.00 1.18 0.00 0.00 52.55 52.67 2g2x s ASP 27 Cb -0.13 0.20 0.00 0.00 -0.34 0.00 0.00 42.92 42.65 2g2x s ASP 27 CO -0.07 -0.95 0.00 0.61 0.68 0.00 0.00 175.17 175.43 2g2x n GLY 28 N -1.61 0.88 3.65 2.12 0.00 -1.26 -5.02 105.19 103.94 2g2x n GLY 28 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2g2x n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2g2x s VAL 29 N -3.19 3.93 -0.12 1.61 1.01 -1.26 -4.86 120.40 117.52 2g2x s VAL 29 Ca 0.00 1.09 0.14 0.00 0.00 0.00 0.00 61.98 63.21 2g2x s VAL 29 Cb 0.00 -3.81 0.30 0.00 0.00 0.00 0.00 36.38 32.87 2g2x s VAL 29 CO 0.00 -0.22 1.15 0.54 0.00 0.00 0.00 175.10 176.57 2g2x n ARG 30 N 7.16 1.01 -3.81 2.72 5.12 -1.26 -4.69 116.66 122.90 2g2x n ARG 30 Ca 0.16 -2.48 -0.36 0.00 -1.93 0.00 0.00 57.85 53.24 2g2x n ARG 30 Cb 0.45 -1.18 -0.13 0.00 -1.16 0.00 0.00 32.46 30.43 2g2x n ARG 30 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 2g2x s ASN 31 N -2.58 4.82 0.23 0.55 3.84 -1.26 -5.02 114.94 115.53 2g2x s ASN 31 Ca 0.29 -0.35 -0.07 0.00 0.21 0.00 0.00 52.86 52.94 2g2x s ASN 31 Cb 0.28 -1.85 0.40 0.00 -0.55 0.00 0.00 41.25 39.53 2g2x s ASN 31 CO -0.03 -0.05 1.69 1.88 -2.79 0.00 0.00 177.10 177.80 2g2x h TYR 32 N 8.19 0.24 -0.47 0.43 0.05 -1.99 0.21 116.97 123.64 2g2x h TYR 32 Ca -0.38 0.04 -0.10 0.00 0.05 0.00 0.00 58.73 58.33 2g2x h TYR 32 Cb 1.16 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.89 2g2x h TYR 32 CO 0.63 -0.07 -0.11 0.37 -1.05 0.00 0.00 178.16 177.94 2g2x h GLN 33 N 0.27 0.90 -0.65 4.88 5.75 -1.98 -0.29 115.11 123.99 2g2x h GLN 33 Ca 0.38 -0.34 -0.03 0.00 -0.15 0.00 0.00 58.65 58.50 2g2x h GLN 33 Cb 0.62 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.08 2g2x h GLN 33 CO -0.47 0.99 0.26 0.00 -2.65 0.00 0.00 178.83 176.96 2g2x h ALA 34 N 0.88 1.25 -0.14 3.38 0.00 -1.57 -1.59 119.26 121.46 2g2x h ALA 34 Ca 0.12 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2g2x h ALA 34 Cb 0.65 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2g2x h ALA 34 CO 0.04 0.56 0.07 -0.09 0.00 0.00 0.00 179.25 179.84 2g2x h ARG 35 N 0.93 0.20 -0.54 0.00 2.43 -0.24 -2.03 114.38 115.13 2g2x h ARG 35 Ca 0.22 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.43 2g2x h ARG 35 Cb 0.17 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 2g2x h ARG 35 CO -0.02 0.22 0.36 -0.91 -1.51 0.00 0.00 179.97 178.11 2g2x h ASN 36 N 0.12 0.42 0.34 -3.80 2.35 -0.43 0.14 115.58 114.72 2g2x h ASN 36 Ca 0.05 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.64 2g2x h ASN 36 Cb 0.09 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2g2x h ASN 36 CO -0.01 0.28 -0.66 -0.26 -1.65 0.00 0.00 177.43 175.13 2g2x h PHE 37 N 0.48 0.39 -0.83 1.19 0.04 -0.91 -2.88 116.94 114.43 2g2x h PHE 37 Ca 0.23 -0.16 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 2g2x h PHE 37 Cb 0.30 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.35 2g2x h PHE 37 CO -0.00 0.87 0.44 -0.07 -0.60 0.00 0.00 178.31 178.95 2g2x h LEU 38 N 0.21 1.04 0.00 1.54 3.38 -0.29 -1.84 115.31 119.35 2g2x h LEU 38 Ca -0.02 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2g2x h LEU 38 Cb 1.20 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2g2x h LEU 38 CO 0.11 0.84 0.00 0.54 0.09 0.00 0.00 178.44 180.02 2g2x n ARG 39 N -4.34 0.00 -2.45 1.13 1.74 -0.66 -4.33 116.66 107.75 2g2x n ARG 39 Ca 0.09 0.20 -0.41 0.00 -0.77 0.00 0.00 57.85 56.96 2g2x n ARG 39 Cb 0.11 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.06 2g2x n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2g2x n ALA 40 N -1.50 6.25 -3.51 7.54 0.00 -0.69 -4.87 120.51 123.73 2g2x n ALA 40 Ca 0.04 -4.45 -0.11 0.00 0.00 0.00 0.00 53.44 48.92 2g2x n ALA 40 Cb 0.20 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.23 2g2x n ALA 40 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2g2x s SER 42 N -0.80 -0.43 0.25 0.00 0.01 -1.26 -5.03 113.70 106.43 2g2x s SER 42 Ca 0.43 0.19 -0.30 0.00 1.31 0.00 0.00 55.95 57.58 2g2x s SER 42 Cb 0.18 0.42 -0.11 0.00 0.21 0.00 0.00 66.02 66.72 2g2x s SER 42 CO -0.11 -0.60 1.55 -0.69 0.41 0.00 0.00 173.24 173.80 2g2x s VAL 43 N -2.47 2.34 0.00 3.43 1.01 -1.26 -1.78 120.40 121.67 2g2x s VAL 43 Ca 0.01 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.26 2g2x s VAL 43 Cb -0.01 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2g2x s VAL 43 CO -0.04 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.70 2g2x n GLY 44 N 2.58 2.57 3.76 4.51 0.00 0.15 -4.99 105.19 113.77 2g2x n GLY 44 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 2g2x n GLY 44 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2g2x s ASP 45 N -1.32 5.54 0.17 1.61 1.01 -0.73 -4.73 116.67 118.22 2g2x s ASP 45 Ca 0.00 2.35 0.09 0.00 0.71 0.00 0.00 52.55 55.70 2g2x s ASP 45 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 2g2x s ASP 45 CO 0.00 -1.35 -0.12 -1.61 0.21 0.00 0.00 175.17 172.30 2g2x s GLU 46 N -3.15 1.97 0.02 8.23 2.02 -1.02 -0.66 118.70 126.11 2g2x s GLU 46 Ca 0.73 -1.27 -0.04 0.00 0.02 0.00 0.00 54.97 54.40 2g2x s GLU 46 Cb -0.29 -2.12 -0.01 0.00 0.10 0.00 0.00 34.13 31.80 2g2x s GLU 46 CO 0.33 0.44 0.07 -0.59 0.02 0.00 0.00 175.26 175.52 2g2x s PHE 47 N -1.60 0.16 0.03 1.61 -0.71 0.01 -1.55 117.98 115.94 2g2x s PHE 47 Ca 0.23 -0.37 -0.30 0.00 -1.04 0.00 0.00 56.93 55.45 2g2x s PHE 47 Cb -0.09 -0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.55 2g2x s PHE 47 CO 0.14 -0.27 1.02 -0.06 -1.34 0.00 0.00 175.22 174.70 2g2x s PHE 48 N -1.72 3.65 -0.48 3.49 0.08 0.04 -1.65 117.98 121.40 2g2x s PHE 48 Ca -0.13 1.65 -0.24 0.00 0.12 0.00 0.00 56.93 58.33 2g2x s PHE 48 Cb -0.07 -3.16 0.03 0.00 -0.57 0.00 0.00 43.02 39.25 2g2x s PHE 48 CO -0.01 -0.20 0.87 0.12 -0.10 0.00 0.00 175.22 175.90 2g2x s PHE 49 N 0.81 2.93 -0.30 0.36 5.36 0.99 -4.48 117.98 123.64 2g2x s PHE 49 Ca 0.52 0.19 -0.11 0.00 -0.96 0.00 0.00 56.93 56.57 2g2x s PHE 49 Cb -0.23 -3.86 -0.03 0.00 -0.34 0.00 0.00 43.02 38.56 2g2x s PHE 49 CO 0.29 -1.11 0.18 -0.47 -1.46 0.00 0.00 175.22 172.65 2g2x s TYR 50 N 3.58 3.20 -0.40 10.12 5.04 -1.26 -0.54 117.35 137.10 2g2x s TYR 50 Ca 0.32 -0.17 -0.28 0.00 -2.44 0.00 0.00 57.07 54.50 2g2x s TYR 50 Cb -0.12 -2.39 0.02 0.00 0.35 0.00 0.00 41.96 39.83 2g2x s TYR 50 CO 0.23 -0.30 1.07 -1.01 -1.34 0.00 0.00 175.55 174.20 2g2x s HIS 51 N 1.71 2.99 0.45 4.97 3.76 0.19 -0.83 115.29 128.53 2g2x s HIS 51 Ca 0.06 0.89 0.06 0.00 -0.15 0.00 0.00 55.06 55.92 2g2x s HIS 51 Cb -0.16 -3.99 -0.04 0.00 1.11 0.00 0.00 32.58 29.49 2g2x s HIS 51 CO 0.09 -0.99 0.12 -1.54 -0.85 0.00 0.00 174.74 171.57 2g2x s SER 52 N 2.04 4.23 -1.53 1.40 1.04 -0.79 -1.78 113.70 118.30 2g2x s SER 52 Ca 0.45 -1.31 -0.08 0.00 0.48 0.00 0.00 55.95 55.49 2g2x s SER 52 Cb -0.10 -0.13 0.06 0.00 0.10 0.00 0.00 66.02 65.95 2g2x s SER 52 CO 0.23 -0.65 0.55 -1.20 0.98 0.00 0.00 173.24 173.15 2g2x n SER 53 N -1.23 -1.52 -3.95 7.02 7.64 -1.26 -4.21 113.62 116.10 2g2x n SER 53 Ca -0.06 -1.02 -0.13 0.00 1.01 0.00 0.00 58.87 58.67 2g2x n SER 53 Cb 0.66 -2.88 -0.08 0.00 -1.01 0.00 0.00 64.21 60.89 2g2x n SER 53 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2g2x h PRO 55 N 2.43 0.14 -2.40 0.00 0.13 -1.97 -3.31 132.00 127.01 2g2x h PRO 55 Ca -0.32 -0.05 -0.60 0.00 -0.87 0.00 0.00 66.00 64.16 2g2x h PRO 55 Cb 1.25 -0.01 -0.42 0.00 0.13 0.00 0.00 31.00 31.95 2g2x h PRO 55 CO 0.46 0.43 -0.61 0.94 -0.23 0.00 0.00 178.00 178.98 2g2x n GLN 56 N -4.14 2.26 -2.16 0.86 7.27 -1.26 -5.09 117.38 115.12 2g2x n GLN 56 Ca -0.01 -4.55 -0.40 0.00 0.07 0.00 0.00 57.00 52.11 2g2x n GLN 56 Cb 0.38 -2.21 -0.02 0.00 2.41 0.00 0.00 30.24 30.79 2g2x n GLN 56 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2g2x s PRO 57 N -2.15 4.21 0.00 3.69 0.04 -1.25 -4.89 135.00 134.65 2g2x s PRO 57 Ca 0.36 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.49 2g2x s PRO 57 Cb 0.10 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.73 2g2x s PRO 57 CO -0.06 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.13 2g2x n GLY 58 N 0.76 0.49 3.65 0.56 0.00 -0.73 -1.60 105.19 108.31 2g2x n GLY 58 Ca 0.02 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 2g2x n GLY 58 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2g2x s ILE 59 N -1.80 4.32 -0.73 -0.61 1.01 -0.60 -0.64 121.20 122.16 2g2x s ILE 59 Ca 0.00 1.55 0.22 0.00 0.00 0.00 0.00 60.65 62.42 2g2x s ILE 59 Cb 0.00 -4.16 -0.19 0.00 0.01 0.00 0.00 42.46 38.12 2g2x s ILE 59 CO 0.00 -0.31 0.91 0.00 0.00 0.00 0.00 174.94 175.54 2g2x n ALA 60 N 6.97 3.93 0.00 9.38 0.00 0.30 -0.85 120.51 140.25 2g2x n ALA 60 Ca 0.14 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2g2x n ALA 60 Cb 0.46 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.05 2g2x n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g2x n GLY 61 N 1.42 -0.98 3.19 0.00 0.00 -1.21 -1.31 105.19 106.31 2g2x n GLY 61 Ca 0.02 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 2g2x n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2g2x s ILE 62 N -3.00 1.45 0.26 -0.61 1.01 0.73 -0.01 121.20 121.04 2g2x s ILE 62 Ca 0.00 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.75 2g2x s ILE 62 Cb 0.00 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 2g2x s ILE 62 CO 0.00 0.29 0.19 0.00 0.00 0.00 0.00 174.94 175.42 2g2x s ALA 63 N -0.59 1.54 0.13 9.38 0.00 -0.66 -0.72 121.76 130.84 2g2x s ALA 63 Ca 0.06 -1.86 0.04 0.00 0.00 0.00 0.00 51.96 50.20 2g2x s ALA 63 Cb -0.08 1.40 -0.04 0.00 0.00 0.00 0.00 23.12 24.40 2g2x s ALA 63 CO 0.00 -0.61 -0.09 -0.98 0.00 0.00 0.00 175.76 174.08 2g2x s ARG 64 N -3.84 1.00 -0.25 0.00 1.70 0.35 -0.81 118.95 117.10 2g2x s ARG 64 Ca 0.39 -1.42 -0.20 0.00 -0.47 0.00 0.00 55.73 54.03 2g2x s ARG 64 Cb 0.05 -0.52 -0.02 0.00 -0.57 0.00 0.00 34.95 33.89 2g2x s ARG 64 CO 0.19 0.05 0.63 0.42 -1.08 0.00 0.00 175.30 175.51 2g2x s ILE 65 N -3.38 4.98 -1.76 4.99 1.01 0.17 -1.09 121.20 126.12 2g2x s ILE 65 Ca 0.15 1.15 0.19 0.00 0.00 0.00 0.00 60.65 62.14 2g2x s ILE 65 Cb 0.03 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 2g2x s ILE 65 CO -0.01 0.03 0.97 0.35 0.00 0.00 0.00 174.94 176.28 2g2x n THR 66 N 5.15 0.00 -3.65 2.92 -2.24 0.46 -0.67 114.28 116.25 2g2x n THR 66 Ca -0.00 -0.30 -0.04 0.00 -2.27 0.00 0.00 64.05 61.44 2g2x n THR 66 Cb 0.49 1.23 -0.06 0.00 -2.10 0.00 0.00 70.33 69.89 2g2x n THR 66 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2g2x s ARG 67 N -2.18 0.53 1.05 -0.78 3.52 -1.13 -4.90 118.95 115.06 2g2x s ARG 67 Ca 0.16 1.31 -0.12 0.00 -0.13 0.00 0.00 55.73 56.95 2g2x s ARG 67 Cb 0.15 0.64 0.22 0.00 -1.56 0.00 0.00 34.95 34.40 2g2x s ARG 67 CO 0.48 -0.20 1.07 0.00 -0.81 0.00 0.00 175.30 175.84 2g2x s ALA 68 N 2.64 0.42 0.20 6.12 0.00 -1.26 -2.52 121.76 127.36 2g2x s ALA 68 Ca -0.06 -0.05 -0.31 0.00 0.00 0.00 0.00 51.96 51.54 2g2x s ALA 68 Cb -0.11 -3.24 -0.16 0.00 0.00 0.00 0.00 23.12 19.61 2g2x s ALA 68 CO -0.17 -3.24 1.02 0.00 0.00 0.00 0.00 175.76 173.36 2g2x n ALA 69 N -4.50 -1.10 -2.88 0.00 0.00 -1.25 -4.73 120.51 106.05 2g2x n ALA 69 Ca 0.05 0.45 -0.10 0.00 0.00 0.00 0.00 53.44 53.84 2g2x n ALA 69 Cb 0.55 -1.95 -0.06 0.00 0.00 0.00 0.00 19.45 17.99 2g2x n ALA 69 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2g2x s TYR 70 N -0.54 -0.08 -0.22 0.00 1.13 -0.68 -4.94 117.35 112.02 2g2x s TYR 70 Ca 0.69 -0.22 -0.40 0.00 -1.41 0.00 0.00 57.07 55.73 2g2x s TYR 70 Cb -0.84 0.13 -0.16 0.00 -1.10 0.00 0.00 41.96 39.99 2g2x s TYR 70 CO 0.55 -0.61 1.67 -2.30 -2.51 0.00 0.00 175.55 172.36 2g2x n PRO 71 N 0.03 1.12 -1.92 -3.49 -0.02 -1.26 -0.57 135.00 128.87 2g2x n PRO 71 Ca -0.16 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.31 2g2x n PRO 71 Cb 0.62 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 2g2x n PRO 71 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2g2x s ASP 72 N 3.02 5.60 0.51 2.55 -1.08 -0.47 -4.68 116.67 122.13 2g2x s ASP 72 Ca 0.96 1.18 0.24 0.00 -0.52 0.00 0.00 52.55 54.41 2g2x s ASP 72 Cb -1.06 -2.52 1.39 0.00 -1.46 0.00 0.00 42.92 39.26 2g2x s ASP 72 CO 0.63 -1.96 2.09 1.55 0.52 0.00 0.00 175.17 177.99 2g2x h PRO 73 N 14.09 0.00 0.00 4.34 0.13 -1.91 -2.55 132.00 146.10 2g2x h PRO 73 Ca -0.32 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2g2x h PRO 73 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2g2x h PRO 73 CO 1.07 0.11 -0.01 1.79 -0.23 0.00 0.00 178.00 180.73 2g2x h THR 74 N 0.00 0.30 0.00 1.56 1.35 -1.90 -0.96 112.91 113.26 2g2x h THR 74 Ca -0.00 -0.06 -0.08 0.00 -0.55 0.00 0.00 66.41 65.72 2g2x h THR 74 Cb 0.26 1.04 -0.01 0.00 -1.73 0.00 0.00 68.15 67.71 2g2x h THR 74 CO 0.01 0.01 -0.37 0.00 -0.25 0.00 0.00 175.52 174.92 2g2x h ALA 75 N 1.99 1.04 -0.01 6.62 0.00 -1.57 -3.05 119.26 124.28 2g2x h ALA 75 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2g2x h ALA 75 Cb 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2g2x h ALA 75 CO 0.00 0.46 -0.81 1.28 0.00 0.00 0.00 179.25 180.19 2g2x n LEU 76 N -3.59 1.33 -4.45 0.00 4.32 -0.42 -1.61 117.00 112.58 2g2x n LEU 76 Ca -0.00 -0.57 -0.44 0.00 -0.02 0.00 0.00 56.01 54.98 2g2x n LEU 76 Cb 0.49 -0.01 -0.07 0.00 -1.62 0.00 0.00 43.42 42.21 2g2x n LEU 76 CO 0.37 0.29 0.20 -0.62 -1.22 0.00 0.00 177.39 176.40 2g2x s ASP 77 N -2.82 6.21 0.61 -1.43 -1.08 -0.87 -4.93 116.67 112.35 2g2x s ASP 77 Ca 0.12 -0.86 0.33 0.00 -0.52 0.00 0.00 52.55 51.61 2g2x s ASP 77 Cb 0.17 -2.25 1.94 0.00 -1.46 0.00 0.00 42.92 41.32 2g2x s ASP 77 CO 0.76 -0.72 2.28 -0.65 0.52 0.00 0.00 175.17 177.36 2g2x h PRO 78 N 8.84 0.00 0.00 4.34 0.11 -1.88 -2.15 132.00 141.26 2g2x h PRO 78 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2g2x h PRO 78 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2g2x h PRO 78 CO 0.88 0.00 0.00 1.49 -0.21 0.00 0.00 178.00 180.16 2g2x h GLU 79 N 0.00 0.00 -6.11 1.05 4.81 -1.92 -3.45 114.58 108.95 2g2x h GLU 79 Ca -0.00 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.65 2g2x h GLU 79 Cb 0.01 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 2g2x h GLU 79 CO 0.00 0.00 -0.36 -1.54 -0.73 0.00 0.00 179.01 176.38 2g2x s SER 80 N -5.60 6.43 0.32 1.04 1.04 -0.81 -4.98 113.70 111.14 2g2x s SER 80 Ca 0.03 0.47 0.25 0.00 0.48 0.00 0.00 55.95 57.17 2g2x s SER 80 Cb 0.08 -2.04 1.13 0.00 0.10 0.00 0.00 66.02 65.29 2g2x s SER 80 CO 0.55 0.06 1.75 0.45 0.98 0.00 0.00 173.24 177.04 2g2x h HIS 81 N 2.71 0.00 -0.44 5.02 3.86 -1.87 -2.65 115.15 121.78 2g2x h HIS 81 Ca -0.46 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 2g2x h HIS 81 Cb 1.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.64 2g2x h HIS 81 CO 0.60 0.00 0.00 0.66 0.86 0.00 0.00 177.93 180.05 2g2x n TYR 82 N -2.37 1.59 -1.89 2.45 4.01 -1.26 -4.97 117.16 114.72 2g2x n TYR 82 Ca 0.01 -0.55 -0.38 0.00 -0.16 0.00 0.00 57.90 56.81 2g2x n TYR 82 Cb 0.18 -0.42 0.03 0.00 -0.31 0.00 0.00 39.34 38.82 2g2x n TYR 82 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 2g2x s HIS 83 N -2.34 2.44 -0.18 -0.72 5.65 -1.00 -3.92 115.29 115.21 2g2x s HIS 83 Ca 0.42 1.40 -0.00 0.00 0.25 0.00 0.00 55.06 57.12 2g2x s HIS 83 Cb 0.32 -3.72 0.05 0.00 -1.18 0.00 0.00 32.58 28.05 2g2x s HIS 83 CO 0.12 -2.58 -0.05 0.34 -0.65 0.00 0.00 174.74 171.92 2g2x s ASP 84 N -1.00 3.08 0.40 9.88 -1.08 -0.64 -4.97 116.67 122.34 2g2x s ASP 84 Ca 0.69 -0.80 0.07 0.00 -0.52 0.00 0.00 52.55 51.99 2g2x s ASP 84 Cb -0.38 -0.95 0.81 0.00 -1.46 0.00 0.00 42.92 40.94 2g2x s ASP 84 CO 0.46 -0.21 2.02 0.00 0.52 0.00 0.00 175.17 177.96 2g2x h ALA 85 N 8.09 1.64 -0.00 3.66 0.00 -1.96 -2.26 119.26 128.43 2g2x h ALA 85 Ca -0.22 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2g2x h ALA 85 Cb 1.10 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2g2x h ALA 85 CO 0.40 0.30 -0.03 1.63 0.00 0.00 0.00 179.25 181.56 2g2x n LYS 86 N -4.43 0.18 -3.06 0.00 5.02 -1.26 -4.87 118.16 109.75 2g2x n LYS 86 Ca 0.03 -0.01 -0.34 0.00 -2.02 0.00 0.00 58.31 55.97 2g2x n LYS 86 Cb 0.10 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.55 2g2x n LYS 86 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2g2x s ALA 87 N -2.83 3.30 0.22 7.82 0.00 -0.85 -4.98 121.76 124.44 2g2x s ALA 87 Ca 0.20 0.16 -0.00 0.00 0.00 0.00 0.00 51.96 52.31 2g2x s ALA 87 Cb 0.19 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 2g2x s ALA 87 CO 0.51 0.29 0.17 0.95 0.00 0.00 0.00 175.76 177.68 2g2x s THR 88 N -1.87 0.00 0.22 0.00 -4.23 -0.88 -4.92 115.64 103.96 2g2x s THR 88 Ca 0.52 -1.98 -0.09 0.00 -1.18 0.00 0.00 61.69 58.97 2g2x s THR 88 Cb -0.12 -2.49 0.17 0.00 1.34 0.00 0.00 72.50 71.40 2g2x s THR 88 CO 0.18 0.00 1.86 0.74 -0.54 0.00 0.00 174.62 176.86 2g2x h THR 89 N 2.54 1.23 -0.00 3.99 2.02 -1.99 -2.44 112.91 118.26 2g2x h THR 89 Ca -0.34 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.32 2g2x h THR 89 Cb 1.25 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2g2x h THR 89 CO 0.50 0.24 -0.25 -0.67 0.37 0.00 0.00 175.52 175.71 2g2x n ASP 90 N -4.45 0.25 -3.16 4.18 -0.08 -1.26 -4.39 116.55 107.66 2g2x n ASP 90 Ca 0.08 0.11 -0.21 0.00 -1.51 0.00 0.00 54.79 53.26 2g2x n ASP 90 Cb 0.06 -0.12 -0.06 0.00 2.34 0.00 0.00 41.12 43.35 2g2x n ASP 90 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2g2x n LYS 91 N -1.49 0.56 -3.61 -0.67 5.02 -0.96 -5.07 118.16 111.94 2g2x n LYS 91 Ca 0.06 -2.93 -0.40 0.00 -2.02 0.00 0.00 58.31 53.03 2g2x n LYS 91 Cb 0.34 -1.39 -0.11 0.00 -0.02 0.00 0.00 35.03 33.85 2g2x n LYS 91 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2g2x s ASN 92 N -0.76 5.66 0.08 4.39 3.84 -0.98 -2.07 114.94 125.09 2g2x s ASN 92 Ca 0.34 -1.23 0.20 0.00 0.21 0.00 0.00 52.86 52.37 2g2x s ASN 92 Cb 0.13 -1.99 0.82 0.00 -0.55 0.00 0.00 41.25 39.65 2g2x s ASN 92 CO -0.15 -0.45 1.62 -0.81 -2.79 0.00 0.00 177.10 174.52 2g2x n PRO 93 N 4.95 0.06 -3.95 0.43 -0.04 -1.26 -4.85 135.00 130.34 2g2x n PRO 93 Ca -0.11 0.25 -0.30 0.00 -0.04 0.00 0.00 63.50 63.30 2g2x n PRO 93 Cb 0.44 -1.61 -0.04 0.00 -0.04 0.00 0.00 33.50 32.25 2g2x n PRO 93 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2g2x s TRP 94 N -3.08 3.44 0.15 0.54 0.52 -1.26 -5.06 118.94 114.19 2g2x s TRP 94 Ca 0.08 0.19 0.07 0.00 0.02 0.00 0.00 56.10 56.45 2g2x s TRP 94 Cb 0.11 -1.71 -0.04 0.00 -1.15 0.00 0.00 33.47 30.68 2g2x s TRP 94 CO 0.36 0.56 -0.14 -1.12 0.02 0.00 0.00 176.95 176.63 2g2x s SER 95 N -2.62 2.22 0.20 2.95 0.01 -1.26 -1.37 113.70 113.83 2g2x s SER 95 Ca 0.34 -0.90 0.01 0.00 1.31 0.00 0.00 55.95 56.71 2g2x s SER 95 Cb -0.12 -0.09 -0.05 0.00 0.21 0.00 0.00 66.02 65.97 2g2x s SER 95 CO 0.27 -0.16 0.05 0.00 0.41 0.00 0.00 173.24 173.81 2g2x s ALA 96 N -2.50 1.42 0.07 1.44 0.00 0.26 -4.59 121.76 117.86 2g2x s ALA 96 Ca 0.14 -1.69 -0.03 0.00 0.00 0.00 0.00 51.96 50.39 2g2x s ALA 96 Cb -0.03 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 2g2x s ALA 96 CO 0.04 -0.41 0.03 0.14 0.00 0.00 0.00 175.76 175.57 2g2x s VAL 97 N -3.77 0.19 0.03 0.00 -7.23 -1.18 -1.69 120.40 106.75 2g2x s VAL 97 Ca 0.30 -1.68 0.03 0.00 -1.81 0.00 0.00 61.98 58.82 2g2x s VAL 97 Cb 0.07 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 2g2x s VAL 97 CO 0.08 -0.85 -0.02 -1.81 -0.31 0.00 0.00 175.10 172.19 2g2x s ASP 98 N -2.92 4.97 0.22 4.85 1.01 -1.05 0.03 116.67 123.78 2g2x s ASP 98 Ca 0.09 -0.09 0.05 0.00 0.71 0.00 0.00 52.55 53.30 2g2x s ASP 98 Cb 0.07 -1.23 -0.05 0.00 1.01 0.00 0.00 42.92 42.72 2g2x s ASP 98 CO -0.09 0.25 -0.04 0.68 0.21 0.00 0.00 175.17 176.18 2g2x s VAL 99 N -1.13 1.21 0.03 -1.27 -7.23 0.07 -0.40 120.40 111.68 2g2x s VAL 99 Ca 0.21 -2.07 -0.01 0.00 -1.81 0.00 0.00 61.98 58.30 2g2x s VAL 99 Cb -0.11 -2.24 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 2g2x s VAL 99 CO 0.12 -0.43 -0.01 0.00 -0.31 0.00 0.00 175.10 174.47 2g2x s ALA 100 N -3.30 0.19 0.38 1.32 0.00 -0.25 -1.19 121.76 118.90 2g2x s ALA 100 Ca 0.26 -0.74 -0.26 0.00 0.00 0.00 0.00 51.96 51.22 2g2x s ALA 100 Cb 0.04 0.19 -0.09 0.00 0.00 0.00 0.00 23.12 23.26 2g2x s ALA 100 CO 0.07 -0.23 1.17 -1.58 0.00 0.00 0.00 175.76 175.19 2g2x s HIS 101 N -2.21 3.14 0.01 0.00 2.46 -1.24 -0.49 115.29 116.96 2g2x s HIS 101 Ca -0.09 1.56 0.00 0.00 0.47 0.00 0.00 55.06 57.00 2g2x s HIS 101 Cb -0.04 -3.40 0.00 0.00 -0.13 0.00 0.00 32.58 29.01 2g2x s HIS 101 CO -0.04 -1.24 0.00 0.28 -2.47 0.00 0.00 174.74 171.28 2g2x n VAL 102 N 0.29 0.08 -3.62 0.89 0.31 -0.42 -4.76 118.33 111.10 2g2x n VAL 102 Ca 0.03 0.03 -0.14 0.00 -0.01 0.00 0.00 64.34 64.25 2g2x n VAL 102 Cb 0.46 -1.39 -0.07 0.00 -0.91 0.00 0.00 33.84 31.93 2g2x n VAL 102 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2g2x s GLN 103 N -2.00 0.85 -0.24 5.55 0.74 0.10 -4.97 119.66 119.70 2g2x s GLN 103 Ca 0.00 0.93 -0.04 0.00 0.05 0.00 0.00 55.36 56.30 2g2x s GLN 103 Cb 0.00 0.41 -0.00 0.00 1.10 0.00 0.00 33.01 34.52 2g2x s GLN 103 CO 0.00 -0.12 -0.02 -0.08 -0.55 0.00 0.00 175.29 174.52 2g2x s THR 104 N 0.25 3.47 0.56 -0.34 -1.32 -1.26 -0.19 115.64 116.81 2g2x s THR 104 Ca -0.01 -0.56 -0.20 0.00 -1.21 0.00 0.00 61.69 59.72 2g2x s THR 104 Cb -0.05 -2.63 -0.04 0.00 -1.51 0.00 0.00 72.50 68.27 2g2x s THR 104 CO 0.02 0.34 1.23 -0.36 -2.21 0.00 0.00 174.62 173.64 2g2x s PHE 105 N 1.47 2.43 0.22 9.09 0.08 -0.43 -4.92 117.98 125.93 2g2x s PHE 105 Ca 0.05 1.49 -0.08 0.00 0.12 0.00 0.00 56.93 58.50 2g2x s PHE 105 Cb -0.15 -3.54 0.19 0.00 -0.57 0.00 0.00 43.02 38.95 2g2x s PHE 105 CO -0.02 -2.27 1.86 -1.35 -0.10 0.00 0.00 175.22 173.34 2g2x h PRO 106 N 1.17 1.16 -4.18 0.24 0.11 -1.96 -3.42 132.00 125.12 2g2x h PRO 106 Ca -0.50 -0.11 -0.32 0.00 0.11 0.00 0.00 66.00 65.17 2g2x h PRO 106 Cb 1.29 -0.24 -0.29 0.00 0.11 0.00 0.00 31.00 31.87 2g2x h PRO 106 CO 0.56 0.82 -0.75 -0.98 -0.21 0.00 0.00 178.00 177.45 2g2x s ARG 107 N -5.94 0.38 0.34 1.05 1.70 -1.26 -5.13 118.95 110.10 2g2x s ARG 107 Ca -0.13 -0.14 -0.29 0.00 -0.47 0.00 0.00 55.73 54.70 2g2x s ARG 107 Cb 0.16 -0.39 -0.11 0.00 -0.57 0.00 0.00 34.95 34.04 2g2x s ARG 107 CO 0.81 0.07 1.54 0.28 -1.08 0.00 0.00 175.30 176.91 2g2x n VAL 108 N 3.12 1.59 -2.83 4.99 0.31 -1.26 -4.91 118.33 119.35 2g2x n VAL 108 Ca -0.15 -0.40 -0.43 0.00 -0.01 0.00 0.00 64.34 63.36 2g2x n VAL 108 Cb 0.57 -1.97 -0.03 0.00 -0.91 0.00 0.00 33.84 31.50 2g2x n VAL 108 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2g2x s LEU 109 N -1.40 4.54 0.46 7.52 1.43 -0.03 -4.91 118.68 126.28 2g2x s LEU 109 Ca 0.58 -1.65 -0.23 0.00 -1.03 0.00 0.00 54.13 51.80 2g2x s LEU 109 Cb -0.48 -2.44 -0.10 0.00 0.03 0.00 0.00 46.19 43.20 2g2x s LEU 109 CO 0.57 -1.26 0.91 -0.62 0.23 0.00 0.00 176.35 176.18 2g2x n GLU 110 N 7.36 1.12 -0.36 1.70 1.02 -1.26 -1.56 120.64 128.66 2g2x n GLU 110 Ca 0.19 0.41 0.05 0.00 -0.02 0.00 0.00 57.16 57.79 2g2x n GLU 110 Cb 0.49 -1.97 0.21 0.00 -0.02 0.00 0.00 31.44 30.15 2g2x n GLU 110 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2g2x h LEU 111 N 1.20 0.95 -0.72 -4.62 5.85 -1.67 -1.30 115.31 115.00 2g2x h LEU 111 Ca -0.45 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.33 2g2x h LEU 111 Cb 1.35 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 2g2x h LEU 111 CO 0.55 0.54 0.47 1.23 -0.34 0.00 0.00 178.44 180.88 2g2x h GLY 112 N 1.04 1.03 0.94 3.75 0.00 -1.90 0.10 103.07 108.04 2g2x h GLY 112 Ca 0.47 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 2g2x h GLY 112 CO -0.23 0.32 0.08 -0.09 0.00 0.00 0.00 176.54 176.62 2g2x h ARG 113 N 0.93 0.67 -0.63 4.80 9.65 -1.67 -2.89 114.38 125.23 2g2x h ARG 113 Ca 0.28 -0.17 -0.01 0.00 -1.10 0.00 0.00 59.98 58.98 2g2x h ARG 113 Cb -0.03 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.43 2g2x h ARG 113 CO -0.09 0.70 0.36 -0.07 2.80 0.00 0.00 179.97 183.67 2g2x h LEU 114 N 0.52 0.78 -2.15 3.80 3.38 -0.66 -2.14 115.31 118.85 2g2x h LEU 114 Ca 0.13 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2g2x h LEU 114 Cb 0.35 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2g2x h LEU 114 CO 0.00 0.64 -0.04 0.11 0.09 0.00 0.00 178.44 179.24 2g2x h LYS 115 N 0.86 0.00 -0.00 1.13 1.57 -0.69 -0.95 116.57 118.48 2g2x h LYS 115 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2g2x h LYS 115 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2g2x h LYS 115 CO -0.04 0.04 0.00 1.04 -0.57 0.00 0.00 179.45 179.92 2g2x n GLN 116 N -3.28 1.06 -3.14 3.15 6.02 -0.80 -4.70 117.38 115.68 2g2x n GLN 116 Ca -0.01 -0.09 -0.43 0.00 -0.01 0.00 0.00 57.00 56.45 2g2x n GLN 116 Cb 0.20 -1.47 -0.07 0.00 1.02 0.00 0.00 30.24 29.92 2g2x n GLN 116 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2g2x s GLN 117 N -2.00 3.18 0.61 -1.09 -1.52 -0.36 -4.88 119.66 113.59 2g2x s GLN 117 Ca 0.45 -0.68 0.37 0.00 -1.95 0.00 0.00 55.36 53.55 2g2x s GLN 117 Cb 0.21 -4.04 1.95 0.00 -0.22 0.00 0.00 33.01 30.91 2g2x s GLN 117 CO 0.35 -1.13 2.22 0.00 -0.25 0.00 0.00 175.29 176.48 2g2x h ALA 118 N 8.94 1.12 0.00 6.09 0.00 -1.87 -0.09 119.26 133.45 2g2x h ALA 118 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2g2x h ALA 118 Cb 1.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2g2x h ALA 118 CO 0.93 0.03 0.00 0.41 0.00 0.00 0.00 179.25 180.62 2g2x n GLY 119 N -0.79 -1.01 0.43 0.00 0.00 -1.26 -2.64 105.19 99.92 2g2x n GLY 119 Ca -0.02 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 45.96 2g2x n GLY 119 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2g2x n LEU 120 N -1.35 2.70 -0.15 0.99 4.77 -0.05 -4.70 117.00 119.21 2g2x n LEU 120 Ca 0.08 -2.15 0.21 0.00 -0.03 0.00 0.00 56.01 54.12 2g2x n LEU 120 Cb 0.18 -0.20 0.61 0.00 -2.33 0.00 0.00 43.42 41.68 2g2x n LEU 120 CO 0.16 0.65 1.22 1.62 -1.33 0.00 0.00 177.39 179.72 2g2x h VAL 121 N 1.26 0.67 -0.01 4.08 3.04 -1.55 0.32 116.25 124.07 2g2x h VAL 121 Ca 0.00 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 2g2x h VAL 121 Cb 0.74 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 2g2x h VAL 121 CO 0.02 0.04 -0.09 -0.62 -1.01 0.00 0.00 177.57 175.91 2g2x n GLU 122 N -4.40 1.04 -2.84 4.17 -0.58 -1.26 -4.84 120.64 111.93 2g2x n GLU 122 Ca 0.16 -0.45 -0.42 0.00 -0.42 0.00 0.00 57.16 56.03 2g2x n GLU 122 Cb 0.72 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 30.07 2g2x n GLU 122 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2g2x s LEU 123 N -2.27 4.08 0.39 -4.62 2.96 0.10 -4.93 118.68 114.38 2g2x s LEU 123 Ca 0.34 1.09 0.20 0.00 -0.22 0.00 0.00 54.13 55.53 2g2x s LEU 123 Cb 0.20 -3.27 1.19 0.00 0.50 0.00 0.00 46.19 44.82 2g2x s LEU 123 CO 0.43 -0.57 1.68 -0.65 -1.32 0.00 0.00 176.35 175.92 2g2x h PRO 124 N 7.67 0.27 -0.82 0.98 0.11 -1.88 -1.74 132.00 136.58 2g2x h PRO 124 Ca -0.22 -0.02 0.20 0.00 0.11 0.00 0.00 66.00 66.07 2g2x h PRO 124 Cb 1.08 -0.06 -0.13 0.00 0.11 0.00 0.00 31.00 32.00 2g2x h PRO 124 CO 0.90 0.18 0.19 1.25 -0.21 0.00 0.00 178.00 180.30 2g2x h LEU 125 N 0.27 -0.05 -2.26 2.35 5.85 -1.91 0.50 115.31 120.06 2g2x h LEU 125 Ca 0.72 0.18 0.00 0.00 0.84 0.00 0.00 57.88 59.62 2g2x h LEU 125 Cb 1.90 0.26 0.00 0.00 0.37 0.00 0.00 40.66 43.19 2g2x h LEU 125 CO -0.47 -0.12 0.00 1.33 -0.34 0.00 0.00 178.44 178.85 2g2x n VAL 126 N -5.22 1.15 -3.68 1.05 0.24 -0.66 -4.91 118.33 106.30 2g2x n VAL 126 Ca 0.18 -0.81 -0.36 0.00 -2.04 0.00 0.00 64.34 61.31 2g2x n VAL 126 Cb 0.58 0.12 -0.07 0.00 -1.47 0.00 0.00 33.84 33.00 2g2x n VAL 126 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2g2x s GLN 127 N -1.62 4.09 0.07 7.34 -0.21 0.16 -5.03 119.66 124.47 2g2x s GLN 127 Ca 0.37 -0.08 -0.37 0.00 0.02 0.00 0.00 55.36 55.30 2g2x s GLN 127 Cb 0.22 -3.38 -0.17 0.00 1.00 0.00 0.00 33.01 30.68 2g2x s GLN 127 CO 0.20 0.36 1.33 1.17 -2.12 0.00 0.00 175.29 176.24 2g2x n LYS 128 N 3.25 1.07 -0.89 2.91 4.81 -1.26 -1.87 118.16 126.18 2g2x n LYS 128 Ca -0.15 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 2g2x n LYS 128 Cb 0.52 -2.02 0.00 0.00 0.02 0.00 0.00 35.03 33.55 2g2x n LYS 128 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2g2x n GLY 129 N 2.50 0.65 3.76 3.14 0.00 -1.26 -4.99 105.19 108.99 2g2x n GLY 129 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2g2x n GLY 129 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2g2x s SER 130 N -2.58 6.62 -0.04 1.61 0.15 -0.78 -4.91 113.70 113.76 2g2x s SER 130 Ca 0.00 2.77 0.06 0.00 0.70 0.00 0.00 55.95 59.48 2g2x s SER 130 Cb 0.00 -2.64 0.09 0.00 -1.71 0.00 0.00 66.02 61.76 2g2x s SER 130 CO 0.00 -0.68 0.96 0.54 1.20 0.00 0.00 173.24 175.26 2g2x n ARG 131 N 1.31 1.52 -2.52 5.44 5.12 -1.26 -5.04 116.66 121.23 2g2x n ARG 131 Ca 0.03 -1.61 -0.42 0.00 -1.93 0.00 0.00 57.85 53.92 2g2x n ARG 131 Cb 0.40 -1.00 -0.03 0.00 -1.16 0.00 0.00 32.46 30.67 2g2x n ARG 131 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2g2x s LEU 132 N -1.29 4.33 0.00 0.55 1.43 -1.26 -4.91 118.68 117.53 2g2x s LEU 132 Ca 0.10 1.84 0.20 0.00 -1.03 0.00 0.00 54.13 55.23 2g2x s LEU 132 Cb 0.09 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.72 2g2x s LEU 132 CO 0.01 -0.46 0.97 -1.54 0.23 0.00 0.00 176.35 175.57 2g2x n SER 133 N 4.41 1.81 -3.99 2.29 3.41 -1.26 -4.90 113.62 115.39 2g2x n SER 133 Ca 0.09 -1.41 -0.09 0.00 -0.26 0.00 0.00 58.87 57.20 2g2x n SER 133 Cb 0.47 0.50 -0.11 0.00 -0.26 0.00 0.00 64.21 64.81 2g2x n SER 133 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2g2x s VAL 134 N -2.24 0.13 0.31 -3.33 1.01 -1.26 -0.96 120.40 114.06 2g2x s VAL 134 Ca 0.16 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.24 2g2x s VAL 134 Cb 0.16 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 36.17 2g2x s VAL 134 CO 0.51 -0.53 0.35 -2.16 0.00 0.00 0.00 175.10 173.27 2g2x s PRO 136 N -1.62 2.96 -0.05 2.72 0.04 -1.26 -4.62 135.00 133.17 2g2x s PRO 136 Ca -0.14 -1.11 -0.01 0.00 0.04 0.00 0.00 61.00 59.78 2g2x s PRO 136 Cb -0.09 -2.65 0.03 0.00 0.04 0.00 0.00 34.50 31.83 2g2x s PRO 136 CO -0.02 0.16 0.01 0.08 0.04 0.00 0.00 177.00 177.28 2g2x s VAL 137 N -2.20 0.22 0.63 -0.36 1.01 -0.15 -4.69 120.40 114.86 2g2x s VAL 137 Ca 0.40 0.16 -0.15 0.00 0.00 0.00 0.00 61.98 62.40 2g2x s VAL 137 Cb -0.08 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 2g2x s VAL 137 CO 0.28 0.21 1.08 0.42 0.00 0.00 0.00 175.10 177.09 2g2x s THR 138 N 1.68 3.61 0.29 3.92 -4.23 -1.26 -4.19 115.64 115.45 2g2x s THR 138 Ca -0.00 0.74 0.01 0.00 -1.18 0.00 0.00 61.69 61.26 2g2x s THR 138 Cb -0.13 -3.27 0.29 0.00 1.34 0.00 0.00 72.50 70.73 2g2x s THR 138 CO -0.03 -0.47 1.85 -0.65 -0.54 0.00 0.00 174.62 174.77 2g2x h PRO 139 N 0.19 0.97 -0.58 3.99 0.11 -1.99 0.13 132.00 134.83 2g2x h PRO 139 Ca -0.47 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 2g2x h PRO 139 Cb 1.23 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 2g2x h PRO 139 CO 0.56 0.64 0.12 0.93 -0.21 0.00 0.00 178.00 180.04 2g2x h GLU 140 N 1.00 0.91 -0.13 1.05 3.07 -1.99 -0.28 114.58 118.20 2g2x h GLU 140 Ca 0.48 -0.21 -0.15 0.00 -0.50 0.00 0.00 59.36 58.98 2g2x h GLU 140 Cb 0.45 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 2g2x h GLU 140 CO -0.24 0.83 -0.57 1.96 -1.40 0.00 0.00 179.01 179.59 2g2x h GLN 141 N 0.87 0.42 -0.77 2.33 4.20 -1.42 -2.65 115.11 118.09 2g2x h GLN 141 Ca 0.18 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 2g2x h GLN 141 Cb 0.35 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 2g2x h GLN 141 CO 0.00 0.87 0.30 2.35 -0.67 0.00 0.00 178.83 181.68 2g2x h TRP 142 N 0.32 1.18 -0.58 2.96 2.91 -0.10 -2.51 115.95 120.14 2g2x h TRP 142 Ca 0.00 -0.09 -0.06 0.00 1.13 0.00 0.00 58.89 59.86 2g2x h TRP 142 Cb 1.09 -0.35 -0.02 0.00 -0.51 0.00 0.00 29.16 29.37 2g2x h TRP 142 CO 0.04 0.90 0.11 0.00 -1.03 0.00 0.00 178.44 178.46 2g2x h ALA 143 N 1.15 0.76 -0.15 2.65 0.00 -0.87 -1.25 119.26 121.56 2g2x h ALA 143 Ca 0.26 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2g2x h ALA 143 Cb 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2g2x h ALA 143 CO -0.02 0.50 -0.42 -0.39 0.00 0.00 0.00 179.25 178.92 2g2x h VAL 144 N 0.84 1.31 -0.26 0.00 -1.51 -1.34 -1.95 116.25 113.34 2g2x h VAL 144 Ca 0.18 -1.56 -0.16 0.00 -1.23 0.00 0.00 66.70 63.92 2g2x h VAL 144 Cb 0.39 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 2g2x h VAL 144 CO 0.01 0.48 -0.47 0.40 -1.23 0.00 0.00 177.57 176.75 2g2x h ILE 145 N 0.29 1.29 0.00 7.19 2.04 -1.23 -2.55 117.51 124.54 2g2x h ILE 145 Ca 0.03 -1.67 -0.08 0.00 1.00 0.00 0.00 64.86 64.13 2g2x h ILE 145 Cb 0.86 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 2g2x h ILE 145 CO 0.07 0.54 -0.39 1.62 0.00 0.00 0.00 178.15 179.99 2g2x h VAL 146 N 0.54 1.03 0.00 1.67 3.04 -1.19 -2.42 116.25 118.93 2g2x h VAL 146 Ca 0.02 -1.45 -0.01 0.00 -1.01 0.00 0.00 66.70 64.25 2g2x h VAL 146 Cb 1.08 1.84 -0.00 0.00 -2.01 0.00 0.00 31.29 32.20 2g2x h VAL 146 CO 0.11 0.38 -0.05 0.00 -1.01 0.00 0.00 177.57 177.00 2g2x h ALA 147 N 1.61 0.98 0.00 3.17 0.00 -1.26 -2.60 119.26 121.16 2g2x h ALA 147 Ca -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2g2x h ALA 147 Cb 0.81 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2g2x h ALA 147 CO 0.05 0.06 -0.12 1.25 0.00 0.00 0.00 179.25 180.49 2g2x h LEU 148 N 0.00 0.00 -1.45 0.00 5.85 -1.00 -3.09 115.31 115.62 2g2x h LEU 148 Ca -0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 2g2x h LEU 148 Cb 0.88 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 2g2x h LEU 148 CO 0.01 0.12 -0.27 -0.09 -0.34 0.00 0.00 178.44 177.87 2g2x h ARG 149 N 0.00 0.01 0.00 1.25 2.43 -1.32 -3.51 114.38 113.25 2g2x h ARG 149 Ca -0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2g2x h ARG 149 Cb 1.06 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2g2x h ARG 149 CO 0.02 0.28 0.00 1.28 -1.51 0.00 0.00 179.97 180.03