#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g1x s ARG 2 N 0.00 1.26 0.02 0.03 3.00 0.27 -4.90 118.95 118.64 1g1x s ARG 2 Ca 0.00 -1.60 -0.09 0.00 -1.00 0.00 0.00 55.73 53.04 1g1x s ARG 2 Cb 0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 34.95 34.19 1g1x s ARG 2 CO 0.00 -0.00 0.33 0.50 0.00 0.00 0.00 175.30 176.13 1g1x s ARG 3 N -3.79 3.69 0.28 5.12 3.52 -1.26 -1.92 118.95 124.59 1g1x s ARG 3 Ca 0.24 0.10 -0.01 0.00 -0.13 0.00 0.00 55.73 55.93 1g1x s ARG 3 Cb 0.04 -3.08 -0.02 0.00 -1.56 0.00 0.00 34.95 30.33 1g1x s ARG 3 CO 0.06 0.63 0.31 0.71 -0.81 0.00 0.00 175.30 176.20 1g1x s TYR 4 N -1.28 1.20 -0.18 5.12 2.02 -0.51 -2.37 117.35 121.35 1g1x s TYR 4 Ca 0.28 -1.35 -0.02 0.00 -0.37 0.00 0.00 57.07 55.61 1g1x s TYR 4 Cb -0.14 -0.38 0.05 0.00 -0.40 0.00 0.00 41.96 41.10 1g1x s TYR 4 CO 0.15 -0.88 0.02 -1.21 -1.57 0.00 0.00 175.55 172.06 1g1x s GLU 5 N -3.66 0.76 -0.69 -0.62 2.02 -0.04 -1.88 118.70 114.60 1g1x s GLU 5 Ca 0.35 -0.40 -0.17 0.00 0.02 0.00 0.00 54.97 54.78 1g1x s GLU 5 Cb 0.03 -2.00 0.15 0.00 0.10 0.00 0.00 34.13 32.41 1g1x s GLU 5 CO 0.18 -0.58 0.72 0.08 0.02 0.00 0.00 175.26 175.68 1g1x s VAL 6 N 1.83 5.13 0.21 2.63 1.01 0.42 -1.45 120.40 130.17 1g1x s VAL 6 Ca -0.00 -1.61 -0.28 0.00 0.00 0.00 0.00 61.98 60.08 1g1x s VAL 6 Cb -0.16 -4.48 -0.09 0.00 0.00 0.00 0.00 36.38 31.65 1g1x s VAL 6 CO -0.07 -1.08 0.88 0.20 0.00 0.00 0.00 175.10 175.02 1g1x s ASN 7 N 3.20 7.55 0.01 3.32 -0.87 -0.65 -2.86 114.94 124.65 1g1x s ASN 7 Ca 0.14 1.83 0.00 0.00 -1.57 0.00 0.00 52.86 53.26 1g1x s ASN 7 Cb -0.19 -2.57 -0.01 0.00 -0.02 0.00 0.00 41.25 38.46 1g1x s ASN 7 CO -0.01 0.18 -0.02 -0.63 -2.57 0.00 0.00 177.10 174.04 1g1x s ILE 8 N -1.15 0.11 -0.23 0.60 1.01 -0.86 -1.68 121.20 119.00 1g1x s ILE 8 Ca 0.39 -0.63 -0.01 0.00 0.00 0.00 0.00 60.65 60.41 1g1x s ILE 8 Cb -0.25 -0.21 0.07 0.00 0.01 0.00 0.00 42.46 42.08 1g1x s ILE 8 CO 0.30 -0.33 -0.00 -0.69 0.00 0.00 0.00 174.94 174.22 1g1x s VAL 9 N -0.98 1.11 0.28 2.92 1.01 -0.95 -1.17 120.40 122.63 1g1x s VAL 9 Ca -0.10 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 60.82 1g1x s VAL 9 Cb -0.07 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1g1x s VAL 9 CO -0.01 -0.21 0.52 -0.76 0.00 0.00 0.00 175.10 174.64 1g1x s LEU 10 N 1.57 4.08 -0.11 3.92 1.43 0.24 -0.80 118.68 129.02 1g1x s LEU 10 Ca -0.02 0.57 -0.32 0.00 -1.03 0.00 0.00 54.13 53.33 1g1x s LEU 10 Cb -0.18 -3.39 -0.10 0.00 0.03 0.00 0.00 46.19 42.55 1g1x s LEU 10 CO -0.09 -0.19 2.01 -3.20 0.23 0.00 0.00 176.35 175.11 1g1x n ASN 11 N -1.10 3.48 0.00 2.29 5.15 -0.55 -2.50 115.26 122.03 1g1x n ASN 11 Ca -0.03 0.75 0.00 0.00 -0.60 0.00 0.00 54.58 54.70 1g1x n ASN 11 Cb 0.54 -1.44 0.00 0.00 -0.53 0.00 0.00 39.78 38.36 1g1x n ASN 11 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1g1x n PRO 12 N 7.46 0.00 -0.97 1.20 -0.04 -1.26 -4.64 135.00 136.74 1g1x n PRO 12 Ca 0.25 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.33 1g1x n PRO 12 Cb 0.35 -0.28 -0.05 0.00 -0.04 0.00 0.00 33.50 33.47 1g1x n PRO 12 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1g1x n ASN 13 N 0.00 0.34 0.00 3.54 3.02 -1.26 -4.87 115.26 116.03 1g1x n ASN 13 Ca 0.00 0.71 0.00 0.00 -0.03 0.00 0.00 54.58 55.26 1g1x n ASN 13 Cb 0.00 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.63 1g1x n ASN 13 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1g1x n LEU 14 N 1.60 0.00 -4.79 3.41 0.00 -1.26 -5.13 117.00 110.84 1g1x n LEU 14 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 56.01 55.80 1g1x n LEU 14 Cb 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.39 1g1x n LEU 14 CO 0.45 0.00 0.72 1.51 0.00 0.00 0.00 177.39 180.07 1g1x s ASP 15 N 0.00 6.70 0.55 1.96 3.84 -1.26 -4.77 116.67 123.69 1g1x s ASP 15 Ca 0.00 1.98 0.44 0.00 -0.00 0.00 0.00 52.55 54.97 1g1x s ASP 15 Cb 0.00 -2.58 1.64 0.00 -1.38 0.00 0.00 42.92 40.61 1g1x s ASP 15 CO 0.00 -0.53 1.68 1.56 -0.00 0.00 0.00 175.17 177.88 1g1x h GLN 16 N 2.28 0.01 -0.40 2.11 7.50 -2.00 0.47 115.11 125.09 1g1x h GLN 16 Ca -0.49 -0.00 -0.00 0.00 0.50 0.00 0.00 58.65 58.66 1g1x h GLN 16 Cb 1.21 -0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.72 1g1x h GLN 16 CO 0.62 0.00 0.25 0.77 -1.50 0.00 0.00 178.83 178.97 1g1x h SER 17 N 0.01 0.48 -0.02 1.46 0.02 -2.01 -2.83 113.55 110.65 1g1x h SER 17 Ca 0.77 -0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 61.53 1g1x h SER 17 Cb 3.06 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 65.49 1g1x h SER 17 CO -0.03 0.38 -0.56 1.56 -1.14 0.00 0.00 176.83 177.04 1g1x h GLN 18 N 0.53 0.42 -0.85 3.45 4.20 -0.46 -3.21 115.11 119.19 1g1x h GLN 18 Ca 0.15 -0.42 0.21 0.00 0.06 0.00 0.00 58.65 58.65 1g1x h GLN 18 Cb -0.02 0.11 -0.05 0.00 0.30 0.00 0.00 27.48 27.82 1g1x h GLN 18 CO -0.03 1.08 0.58 1.25 -0.67 0.00 0.00 178.83 181.04 1g1x h LEU 19 N -0.08 0.25 -0.01 1.46 7.12 -1.23 -0.52 115.31 122.30 1g1x h LEU 19 Ca -0.06 0.03 -0.00 0.00 0.13 0.00 0.00 57.88 57.97 1g1x h LEU 19 Cb 1.26 -0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 41.36 1g1x h LEU 19 CO 0.11 0.10 -0.00 0.00 -0.13 0.00 0.00 178.44 178.52 1g1x h ALA 20 N 1.61 0.02 -0.46 1.25 0.00 -1.50 -2.88 119.26 117.30 1g1x h ALA 20 Ca 0.43 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1g1x h ALA 20 Cb 1.27 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1g1x h ALA 20 CO -0.11 -0.30 0.28 1.25 0.00 0.00 0.00 179.25 180.37 1g1x h LEU 21 N -0.33 0.54 0.37 0.00 5.85 -1.15 -1.93 115.31 118.66 1g1x h LEU 21 Ca 0.00 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1g1x h LEU 21 Cb 0.37 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 1g1x h LEU 21 CO 0.00 0.41 -0.25 -0.33 -0.34 0.00 0.00 178.44 177.94 1g1x h GLU 22 N 0.63 -0.57 -0.99 1.25 4.39 -1.30 0.29 114.58 118.28 1g1x h GLU 22 Ca 0.17 0.04 0.34 0.00 0.34 0.00 0.00 59.36 60.24 1g1x h GLU 22 Cb -0.03 0.13 -0.18 0.00 -0.10 0.00 0.00 28.75 28.57 1g1x h GLU 22 CO -0.03 -0.38 0.28 0.87 -1.16 0.00 0.00 179.01 178.59 1g1x h LYS 23 N -0.59 0.02 0.00 2.33 1.57 -1.23 1.72 116.57 120.39 1g1x h LYS 23 Ca -0.05 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 1g1x h LYS 23 Cb 0.48 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1g1x h LYS 23 CO 0.04 0.01 -0.60 0.93 -0.57 0.00 0.00 179.45 179.25 1g1x h GLU 24 N 0.02 0.00 0.13 3.15 5.08 -1.09 0.23 114.58 122.10 1g1x h GLU 24 Ca 0.72 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 59.07 1g1x h GLU 24 Cb 1.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.96 1g1x h GLU 24 CO -0.84 0.60 -0.06 0.97 -1.00 0.00 0.00 179.01 178.68 1g1x h ILE 25 N 0.00 1.03 0.34 3.13 6.09 0.60 -0.48 117.51 128.22 1g1x h ILE 25 Ca -0.01 -0.84 -0.00 0.00 -1.37 0.00 0.00 64.86 62.65 1g1x h ILE 25 Cb 1.33 1.54 -0.03 0.00 0.47 0.00 0.00 36.82 40.13 1g1x h ILE 25 CO 0.08 0.19 -0.51 0.40 -3.07 0.00 0.00 178.15 175.24 1g1x h ILE 26 N -0.59 0.02 -0.84 2.19 2.04 0.77 -2.33 117.51 118.77 1g1x h ILE 26 Ca -0.02 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.94 1g1x h ILE 26 Cb 0.45 0.02 -0.06 0.00 -0.74 0.00 0.00 36.82 36.49 1g1x h ILE 26 CO 0.03 0.00 0.54 1.56 0.00 0.00 0.00 178.15 180.28 1g1x h GLN 27 N -0.89 0.77 -0.33 2.37 1.08 -0.58 -0.22 115.11 117.31 1g1x h GLN 27 Ca -0.04 -0.05 -0.11 0.00 -1.45 0.00 0.00 58.65 57.01 1g1x h GLN 27 Cb 0.82 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 1g1x h GLN 27 CO -0.16 0.51 -0.25 -0.09 -0.95 0.00 0.00 178.83 177.89 1g1x h ARG 28 N 0.79 0.66 0.12 1.46 2.43 -0.81 -0.96 114.38 118.07 1g1x h ARG 28 Ca 0.39 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1g1x h ARG 28 Cb 0.43 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1g1x h ARG 28 CO -0.16 0.85 -0.06 0.00 -1.51 0.00 0.00 179.97 179.09 1g1x h ALA 29 N 1.15 -0.16 -0.49 2.80 0.00 -0.83 1.10 119.26 122.84 1g1x h ALA 29 Ca 0.08 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.91 1g1x h ALA 29 Cb 0.73 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.48 1g1x h ALA 29 CO 0.06 -0.43 -0.39 -0.07 0.00 0.00 0.00 179.25 178.42 1g1x h LEU 30 N -0.48 -1.30 -0.50 0.00 4.07 -0.81 0.83 115.31 117.12 1g1x h LEU 30 Ca -0.02 0.22 -0.03 0.00 0.08 0.00 0.00 57.88 58.13 1g1x h LEU 30 Cb 0.39 0.60 -0.00 0.00 1.08 0.00 0.00 40.66 42.72 1g1x h LEU 30 CO 0.03 -0.34 -0.16 1.05 -1.08 0.00 0.00 178.44 177.94 1g1x h GLU 31 N -0.25 0.00 -0.39 1.13 4.11 -1.09 0.27 114.58 118.36 1g1x h GLU 31 Ca 0.18 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.45 1g1x h GLU 31 Cb 0.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1g1x h GLU 31 CO -0.62 0.16 -0.38 -0.97 0.07 0.00 0.00 179.01 177.27 1g1x h ASN 32 N 0.00 1.00 -0.47 3.06 -0.73 0.38 -2.72 115.58 116.11 1g1x h ASN 32 Ca -0.00 -0.46 -0.30 0.00 1.87 0.00 0.00 56.30 57.41 1g1x h ASN 32 Cb 0.94 -0.28 -0.14 0.00 0.27 0.00 0.00 38.32 39.11 1g1x h ASN 32 CO 0.02 1.26 0.38 -1.22 -0.37 0.00 0.00 177.43 177.50 1g1x n TYR 33 N -4.07 1.49 -1.15 0.67 4.02 0.26 -4.87 117.16 113.52 1g1x n TYR 33 Ca -0.02 -1.70 -0.07 0.00 -0.01 0.00 0.00 57.90 56.10 1g1x n TYR 33 Cb 0.54 -0.83 -0.03 0.00 -0.02 0.00 0.00 39.34 39.00 1g1x n TYR 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1g1x n GLY 34 N 0.17 0.65 3.58 2.72 0.00 -1.02 -4.69 105.19 106.60 1g1x n GLY 34 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 1g1x n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g1x s ALA 35 N -1.53 3.38 -0.57 4.61 0.00 0.92 -4.57 121.76 123.99 1g1x s ALA 35 Ca 0.00 -0.66 -0.28 0.00 0.00 0.00 0.00 51.96 51.02 1g1x s ALA 35 Cb 0.00 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.68 1g1x s ALA 35 CO 0.00 -1.66 1.30 0.50 0.00 0.00 0.00 175.76 175.91 1g1x s ARG 36 N 3.33 3.41 -0.11 0.00 3.52 0.30 -4.13 118.95 125.26 1g1x s ARG 36 Ca 0.34 0.35 -0.29 0.00 -0.13 0.00 0.00 55.73 56.00 1g1x s ARG 36 Cb -0.12 -4.07 -0.06 0.00 -1.56 0.00 0.00 34.95 29.14 1g1x s ARG 36 CO 0.19 -1.81 1.97 0.54 -0.81 0.00 0.00 175.30 175.39 1g1x s VAL 37 N 5.50 3.18 -0.13 7.11 0.11 -1.26 -2.06 120.40 132.85 1g1x s VAL 37 Ca 0.48 0.21 -0.12 0.00 -2.93 0.00 0.00 61.98 59.62 1g1x s VAL 37 Cb -0.09 -3.18 -0.10 0.00 -1.53 0.00 0.00 36.38 31.48 1g1x s VAL 37 CO 0.25 -0.07 0.23 -0.08 -3.33 0.00 0.00 175.10 172.10 1g1x h GLU 38 N 12.20 0.00 -1.62 1.54 4.81 -0.08 -3.46 114.58 127.97 1g1x h GLU 38 Ca -0.43 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.61 1g1x h GLU 38 Cb 1.22 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 30.32 1g1x h GLU 38 CO 0.96 0.38 -0.54 -1.59 -0.73 0.00 0.00 179.01 177.49 1g1x s LYS 39 N -1.90 0.51 0.72 1.92 -2.85 -0.75 -4.96 119.74 112.43 1g1x s LYS 39 Ca -0.10 -0.07 -0.11 0.00 -1.00 0.00 0.00 55.97 54.69 1g1x s LYS 39 Cb -0.00 -0.30 0.17 0.00 -2.06 0.00 0.00 37.83 35.64 1g1x s LYS 39 CO 0.28 -1.09 0.38 1.33 0.10 0.00 0.00 175.35 176.36 1g1x n VAL 40 N 5.04 0.00 0.00 1.79 0.24 -1.26 -2.85 118.33 121.29 1g1x n VAL 40 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 1g1x n VAL 40 Cb 0.50 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 1g1x n VAL 40 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1g1x n GLU 41 N -2.80 0.00 -2.45 7.34 2.13 -0.74 -4.84 120.64 119.29 1g1x n GLU 41 Ca 0.06 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.76 1g1x n GLU 41 Cb 0.27 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.01 1g1x n GLU 41 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1g1x n GLU 42 N -0.34 2.63 -0.13 5.31 2.13 -1.26 -0.93 120.64 128.05 1g1x n GLU 42 Ca 0.00 -3.83 0.13 0.00 0.66 0.00 0.00 57.16 54.12 1g1x n GLU 42 Cb 0.00 -1.93 0.19 0.00 0.27 0.00 0.00 31.44 29.98 1g1x n GLU 42 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1g1x n LEU 43 N -0.64 0.00 0.00 4.31 7.99 -1.25 -4.81 117.00 122.61 1g1x n LEU 43 Ca 0.25 0.29 0.06 0.00 -0.01 0.00 0.00 56.01 56.60 1g1x n LEU 43 Cb 0.88 -0.12 -0.01 0.00 -0.11 0.00 0.00 43.42 44.06 1g1x n LEU 43 CO 0.23 -0.29 -0.08 0.61 -1.51 0.00 0.00 177.39 176.35 1g1x n GLY 44 N -1.17 -0.77 1.05 -0.72 0.00 -0.84 -4.80 105.19 97.94 1g1x n GLY 44 Ca 0.10 -0.57 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 1g1x n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1g1x n LEU 45 N 0.00 -0.19 0.00 0.99 4.32 -1.22 -3.81 117.00 117.08 1g1x n LEU 45 Ca 0.00 0.35 0.00 0.00 -0.02 0.00 0.00 56.01 56.34 1g1x n LEU 45 Cb 0.20 -0.29 0.00 0.00 -1.62 0.00 0.00 43.42 41.71 1g1x n LEU 45 CO 0.00 -0.75 0.00 -1.14 -1.22 0.00 0.00 177.39 174.28 1g1x n ARG 46 N 0.38 0.00 0.00 3.23 0.63 -0.71 -4.92 116.66 115.27 1g1x n ARG 46 Ca 0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 1g1x n ARG 46 Cb 0.05 -0.42 0.00 0.00 0.45 0.00 0.00 32.46 32.54 1g1x n ARG 46 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1g1x n ARG 47 N -0.84 0.00 0.00 -0.14 0.63 -1.26 -5.03 116.66 110.03 1g1x n ARG 47 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1g1x n ARG 47 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1g1x n ARG 47 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1g1x n LEU 48 N 0.00 -0.12 -0.24 6.15 7.99 -1.26 -4.44 117.00 125.08 1g1x n LEU 48 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 56.01 56.07 1g1x n LEU 48 Cb 0.00 0.49 -0.03 0.00 -0.11 0.00 0.00 43.42 43.77 1g1x n LEU 48 CO 0.00 0.00 0.16 0.00 -1.51 0.00 0.00 177.39 176.04 1g1x n ALA 49 N 0.35 3.38 -3.60 -1.18 0.00 -1.26 -4.92 120.51 113.27 1g1x n ALA 49 Ca 0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 53.44 52.81 1g1x n ALA 49 Cb 0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 19.45 18.85 1g1x n ALA 49 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1g1x s TYR 50 N -2.00 -0.69 1.06 0.00 1.13 -1.26 -5.16 117.35 110.42 1g1x s TYR 50 Ca 0.10 1.56 -0.12 0.00 -1.41 0.00 0.00 57.07 57.21 1g1x s TYR 50 Cb 0.12 0.33 0.22 0.00 -1.10 0.00 0.00 41.96 41.53 1g1x s TYR 50 CO 0.45 -0.41 1.07 -1.25 -2.51 0.00 0.00 175.55 172.90 1g1x s PRO 51 N -0.10 -0.09 -0.09 -3.49 0.04 -1.26 -4.95 135.00 125.06 1g1x s PRO 51 Ca -0.02 1.06 -0.04 0.00 0.04 0.00 0.00 61.00 62.04 1g1x s PRO 51 Cb -0.04 -1.63 0.05 0.00 0.04 0.00 0.00 34.50 32.92 1g1x s PRO 51 CO 0.02 -3.23 0.19 0.42 0.04 0.00 0.00 177.00 174.44 1g1x s ILE 52 N -2.57 -0.20 -1.49 0.56 1.01 -0.62 -4.70 121.20 113.18 1g1x s ILE 52 Ca 0.67 0.26 -0.06 0.00 0.00 0.00 0.00 60.65 61.52 1g1x s ILE 52 Cb -0.23 -0.32 0.02 0.00 0.01 0.00 0.00 42.46 41.93 1g1x s ILE 52 CO 0.62 0.11 0.72 0.00 0.00 0.00 0.00 174.94 176.38 1g1x n ALA 53 N 4.85 -1.06 -1.40 9.38 0.00 -1.26 0.13 120.51 131.16 1g1x n ALA 53 Ca -0.14 0.28 -0.14 0.00 0.00 0.00 0.00 53.44 53.44 1g1x n ALA 53 Cb 0.51 -4.09 -0.06 0.00 0.00 0.00 0.00 19.45 15.80 1g1x n ALA 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1g1x n LYS 54 N -4.21 -1.30 -4.01 0.00 4.76 -1.26 -4.92 118.16 107.22 1g1x n LYS 54 Ca -0.07 0.80 -0.35 0.00 -2.87 0.00 0.00 58.31 55.82 1g1x n LYS 54 Cb 0.60 -5.06 -0.13 0.00 -1.84 0.00 0.00 35.03 28.60 1g1x n LYS 54 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1g1x s ASP 55 N -2.15 4.57 0.00 4.39 1.11 0.12 -4.96 116.67 119.75 1g1x s ASP 55 Ca 0.00 -0.30 0.29 0.00 0.18 0.00 0.00 52.55 52.72 1g1x s ASP 55 Cb 0.00 -1.78 1.42 0.00 1.07 0.00 0.00 42.92 43.63 1g1x s ASP 55 CO 0.00 0.02 1.95 -0.81 1.18 0.00 0.00 175.17 177.51 1g1x n PRO 56 N 4.53 1.32 -3.98 8.23 -0.04 -1.26 -1.60 135.00 142.20 1g1x n PRO 56 Ca -0.18 -0.47 -0.35 0.00 -0.04 0.00 0.00 63.50 62.46 1g1x n PRO 56 Cb 0.51 -1.47 -0.09 0.00 -0.04 0.00 0.00 33.50 32.41 1g1x n PRO 56 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1g1x s GLN 57 N -1.99 3.85 -0.09 0.54 -1.52 -1.26 -4.36 119.66 114.83 1g1x s GLN 57 Ca 0.41 -0.30 -0.01 0.00 -1.95 0.00 0.00 55.36 53.51 1g1x s GLN 57 Cb 0.21 -3.20 0.03 0.00 -0.22 0.00 0.00 33.01 29.82 1g1x s GLN 57 CO 0.34 0.39 -0.01 0.20 -0.25 0.00 0.00 175.29 175.95 1g1x s GLY 58 N 0.06 0.58 -0.40 3.09 0.00 -1.26 -4.29 107.32 105.10 1g1x s GLY 58 Ca 0.06 -0.28 -0.13 0.00 0.00 0.00 0.00 44.72 44.37 1g1x s GLY 58 CO 0.00 1.10 0.26 -0.47 0.00 0.00 0.00 173.10 174.00 1g1x s TYR 59 N 1.90 3.24 0.11 1.90 5.04 -1.04 -1.73 117.35 126.78 1g1x s TYR 59 Ca 0.04 -0.76 -0.14 0.00 -2.44 0.00 0.00 57.07 53.77 1g1x s TYR 59 Cb -0.13 -2.55 -0.07 0.00 0.35 0.00 0.00 41.96 39.57 1g1x s TYR 59 CO -0.06 -0.62 0.51 -0.06 -1.34 0.00 0.00 175.55 173.97 1g1x s PHE 60 N 1.62 3.64 -0.04 4.97 0.08 -1.25 0.82 117.98 127.82 1g1x s PHE 60 Ca 0.04 1.03 -0.01 0.00 0.12 0.00 0.00 56.93 58.11 1g1x s PHE 60 Cb -0.19 -2.34 0.03 0.00 -0.57 0.00 0.00 43.02 39.95 1g1x s PHE 60 CO 0.08 0.49 0.03 -0.51 -0.10 0.00 0.00 175.22 175.22 1g1x s LEU 61 N -1.75 0.51 0.03 -0.37 1.43 -0.32 -1.98 118.68 116.24 1g1x s LEU 61 Ca 0.34 0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.49 1g1x s LEU 61 Cb -0.16 -0.22 -0.04 0.00 0.03 0.00 0.00 46.19 45.81 1g1x s LEU 61 CO 0.18 -0.20 -0.01 0.86 0.23 0.00 0.00 176.35 177.42 1g1x s TRP 62 N 1.82 3.02 -0.08 0.29 -0.00 -0.10 -2.02 118.94 121.87 1g1x s TRP 62 Ca 0.01 0.03 -0.03 0.00 -0.00 0.00 0.00 56.10 56.11 1g1x s TRP 62 Cb -0.12 -1.62 0.04 0.00 -0.00 0.00 0.00 33.47 31.77 1g1x s TRP 62 CO -0.03 0.45 0.16 0.71 -0.00 0.00 0.00 176.95 178.24 1g1x s TYR 63 N -1.14 -0.18 -0.20 5.86 1.51 -1.13 -1.79 117.35 120.26 1g1x s TYR 63 Ca 0.21 0.56 -0.08 0.00 -1.01 0.00 0.00 57.07 56.75 1g1x s TYR 63 Cb -0.12 -0.15 -0.04 0.00 -0.11 0.00 0.00 41.96 41.54 1g1x s TYR 63 CO 0.12 -0.22 0.08 -1.14 -1.11 0.00 0.00 175.55 173.29 1g1x s GLN 64 N 1.69 3.95 0.36 -0.62 0.74 -1.13 -0.44 119.66 124.21 1g1x s GLN 64 Ca -0.04 -0.35 0.04 0.00 0.05 0.00 0.00 55.36 55.07 1g1x s GLN 64 Cb -0.12 -3.30 -0.03 0.00 1.10 0.00 0.00 33.01 30.66 1g1x s GLN 64 CO -0.06 0.16 0.17 0.14 -0.55 0.00 0.00 175.29 175.15 1g1x s VAL 65 N 0.70 0.38 -0.13 1.34 -7.23 -0.79 0.68 120.40 115.35 1g1x s VAL 65 Ca 0.04 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.19 1g1x s VAL 65 Cb -0.13 -2.43 0.04 0.00 0.56 0.00 0.00 36.38 34.42 1g1x s VAL 65 CO 0.02 0.00 0.03 -0.70 -0.31 0.00 0.00 175.10 174.14 1g1x s GLU 66 N -3.67 0.49 0.27 4.82 2.12 -0.88 -1.43 118.70 120.42 1g1x s GLU 66 Ca 0.31 -0.08 -0.05 0.00 0.36 0.00 0.00 54.97 55.51 1g1x s GLU 66 Cb 0.03 -1.46 -0.01 0.00 0.26 0.00 0.00 34.13 32.94 1g1x s GLU 66 CO 0.19 -0.48 0.37 0.00 -0.54 0.00 0.00 175.26 174.79 1g1x s MET 67 N 1.97 1.59 0.16 4.30 0.23 -0.81 -0.54 119.30 126.20 1g1x s MET 67 Ca 0.02 -1.58 -0.31 0.00 -1.03 0.00 0.00 55.69 52.80 1g1x s MET 67 Cb -0.14 0.40 -0.08 0.00 -1.53 0.00 0.00 34.83 33.47 1g1x s MET 67 CO -0.07 -0.62 1.34 -2.14 -2.03 0.00 0.00 175.02 171.50 1g1x s PRO 68 N -3.70 4.36 0.20 3.16 0.02 -1.26 -0.56 135.00 137.21 1g1x s PRO 68 Ca 0.31 2.05 -0.17 0.00 0.02 0.00 0.00 61.00 63.21 1g1x s PRO 68 Cb 0.02 -3.22 0.18 0.00 0.02 0.00 0.00 34.50 31.49 1g1x s PRO 68 CO 0.15 -0.33 1.61 0.93 -0.33 0.00 0.00 177.00 179.03 1g1x h GLU 69 N 6.02 -0.09 0.00 5.54 3.07 -1.91 -1.70 114.58 125.51 1g1x h GLU 69 Ca -0.43 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 1g1x h GLU 69 Cb 1.21 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 1g1x h GLU 69 CO 0.81 -0.06 0.00 -0.40 -1.40 0.00 0.00 179.01 177.96 1g1x n ASP 70 N -5.44 0.00 -0.02 1.42 5.75 -1.26 -1.97 116.55 115.04 1g1x n ASP 70 Ca 0.06 -0.25 0.01 0.00 -0.01 0.00 0.00 54.79 54.60 1g1x n ASP 70 Cb 0.34 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.42 1g1x n ASP 70 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1g1x n ARG 71 N -0.78 5.24 0.07 0.11 1.74 -0.64 -4.71 116.66 117.69 1g1x n ARG 71 Ca 0.02 -0.09 -0.11 0.00 -0.77 0.00 0.00 57.85 56.90 1g1x n ARG 71 Cb 0.01 -0.69 -0.05 0.00 -1.02 0.00 0.00 32.46 30.72 1g1x n ARG 71 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1g1x h VAL 72 N 0.08 0.46 -0.94 1.55 2.07 -1.47 0.88 116.25 118.89 1g1x h VAL 72 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1g1x h VAL 72 Cb 0.07 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.25 1g1x h VAL 72 CO 0.00 0.00 0.61 0.78 0.02 0.00 0.00 177.57 178.98 1g1x h ASN 73 N -0.38 1.01 0.03 0.57 2.35 -1.84 -0.57 115.58 116.75 1g1x h ASN 73 Ca 0.06 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1g1x h ASN 73 Cb 0.45 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1g1x h ASN 73 CO -0.20 0.68 -0.01 0.44 -1.65 0.00 0.00 177.43 176.69 1g1x h ASP 74 N 1.16 -0.03 0.11 5.81 3.32 -1.68 -2.45 116.42 122.65 1g1x h ASP 74 Ca 0.38 -0.25 0.02 0.00 0.02 0.00 0.00 57.03 57.20 1g1x h ASP 74 Cb 0.05 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.56 1g1x h ASP 74 CO -0.12 0.23 -0.46 0.25 -1.72 0.00 0.00 179.24 177.42 1g1x h LEU 75 N -0.30 -1.38 -0.97 1.55 5.85 -0.32 -0.05 115.31 119.69 1g1x h LEU 75 Ca -0.00 0.15 0.22 0.00 0.84 0.00 0.00 57.88 59.09 1g1x h LEU 75 Cb 0.28 0.52 -0.18 0.00 0.37 0.00 0.00 40.66 41.64 1g1x h LEU 75 CO 0.01 -0.52 -0.14 0.00 -0.34 0.00 0.00 178.44 177.45 1g1x h ALA 76 N -0.30 0.84 0.21 1.25 0.00 -1.10 0.51 119.26 120.68 1g1x h ALA 76 Ca 0.01 0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1g1x h ALA 76 Cb 0.71 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1g1x h ALA 76 CO -0.27 -0.45 -0.21 -0.09 0.00 0.00 0.00 179.25 178.22 1g1x h ARG 77 N 0.01 -0.44 -0.17 0.00 2.43 -0.72 -2.07 114.38 113.41 1g1x h ARG 77 Ca 0.51 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.74 1g1x h ARG 77 Cb 0.90 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.50 1g1x h ARG 77 CO -0.96 -0.29 -0.44 1.49 -1.51 0.00 0.00 179.97 178.26 1g1x h GLU 78 N -0.46 -0.41 -1.69 0.20 4.57 0.17 0.20 114.58 117.17 1g1x h GLU 78 Ca -0.00 0.03 0.49 0.00 -1.18 0.00 0.00 59.36 58.70 1g1x h GLU 78 Cb 0.43 0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 29.04 1g1x h GLU 78 CO -0.05 -0.27 1.21 -0.07 -1.18 0.00 0.00 179.01 178.65 1g1x h LEU 79 N -0.42 0.01 0.00 1.64 3.38 -0.42 -0.64 115.31 118.85 1g1x h LEU 79 Ca 0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 1g1x h LEU 79 Cb 0.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1g1x h LEU 79 CO -0.39 -0.00 -0.90 0.03 0.09 0.00 0.00 178.44 177.27 1g1x h ARG 80 N 0.00 0.00 -0.69 1.13 3.08 -0.25 -3.35 114.38 114.31 1g1x h ARG 80 Ca 0.81 0.00 0.14 0.00 0.07 0.00 0.00 59.98 61.00 1g1x h ARG 80 Cb 3.23 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 33.18 1g1x h ARG 80 CO -0.02 0.64 0.16 -0.84 -1.07 0.00 0.00 179.97 178.84 1g1x h ILE 81 N 0.00 0.56 -1.16 2.04 3.07 -0.96 -3.39 117.51 117.68 1g1x h ILE 81 Ca -0.05 -0.09 -0.57 0.00 1.55 0.00 0.00 64.86 65.70 1g1x h ILE 81 Cb 1.59 0.27 -0.02 0.00 -0.27 0.00 0.00 36.82 38.39 1g1x h ILE 81 CO 0.09 0.05 1.56 0.54 -1.05 0.00 0.00 178.15 179.33 1g1x n ARG 82 N -5.14 0.97 -0.60 0.16 5.12 -1.26 -4.73 116.66 111.18 1g1x n ARG 82 Ca 0.12 0.17 0.48 0.00 -1.93 0.00 0.00 57.85 56.69 1g1x n ARG 82 Cb 0.40 -2.69 0.79 0.00 -1.16 0.00 0.00 32.46 29.81 1g1x n ARG 82 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1g1x h ASP 83 N 14.90 0.00 1.28 0.55 5.19 -1.94 1.01 116.42 137.42 1g1x h ASP 83 Ca -0.24 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.16 1g1x h ASP 83 Cb 1.29 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.80 1g1x h ASP 83 CO 1.12 0.00 -0.08 0.78 -3.12 0.00 0.00 179.24 177.94 1g1x h ASN 84 N 0.00 0.00 -3.66 6.45 -0.26 -1.90 -3.42 115.58 112.79 1g1x h ASN 84 Ca 0.83 0.00 -0.57 0.00 -0.56 0.00 0.00 56.30 56.00 1g1x h ASN 84 Cb 3.39 0.00 -0.08 0.00 -1.06 0.00 0.00 38.32 40.57 1g1x h ASN 84 CO -0.01 0.08 0.84 -0.69 -1.06 0.00 0.00 177.43 176.59 1g1x s VAL 85 N -3.51 4.30 -0.06 2.81 1.01 0.35 -1.49 120.40 123.81 1g1x s VAL 85 Ca 0.03 1.17 -0.19 0.00 0.00 0.00 0.00 61.98 62.99 1g1x s VAL 85 Cb 0.08 -4.55 -0.30 0.00 0.00 0.00 0.00 36.38 31.61 1g1x s VAL 85 CO 0.61 -0.92 0.77 0.03 0.00 0.00 0.00 175.10 175.59 1g1x h ARG 86 N 9.08 0.30 -4.61 2.72 2.47 -1.23 -3.48 114.38 119.63 1g1x h ARG 86 Ca -0.23 -0.51 -0.25 0.00 -1.26 0.00 0.00 59.98 57.72 1g1x h ARG 86 Cb 1.06 0.19 -0.18 0.00 -1.65 0.00 0.00 29.97 29.39 1g1x h ARG 86 CO 1.10 1.25 -0.72 1.03 0.56 0.00 0.00 179.97 183.18 1g1x s ARG 87 N -2.46 0.66 -0.24 0.04 1.81 -1.14 -5.00 118.95 112.63 1g1x s ARG 87 Ca -0.16 -1.01 -0.03 0.00 -1.72 0.00 0.00 55.73 52.82 1g1x s ARG 87 Cb 0.03 -0.26 0.13 0.00 -0.45 0.00 0.00 34.95 34.40 1g1x s ARG 87 CO 0.82 0.02 0.35 0.08 -0.68 0.00 0.00 175.30 175.88 1g1x s VAL 88 N -2.36 -0.55 -0.30 3.52 1.01 -1.26 -2.24 120.40 118.22 1g1x s VAL 88 Ca -0.00 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.90 1g1x s VAL 88 Cb -0.03 -0.80 0.09 0.00 0.00 0.00 0.00 36.38 35.64 1g1x s VAL 88 CO -0.02 -0.15 0.04 -0.32 0.00 0.00 0.00 175.10 174.65 1g1x s MET 89 N 2.50 1.29 -1.19 2.72 0.00 -0.68 -5.00 119.30 118.94 1g1x s MET 89 Ca 0.11 -1.40 -0.11 0.00 0.00 0.00 0.00 55.69 54.30 1g1x s MET 89 Cb -0.15 -2.67 0.21 0.00 0.00 0.00 0.00 34.83 32.22 1g1x s MET 89 CO -0.16 -0.86 1.45 0.28 0.00 0.00 0.00 175.02 175.73 1g1x n VAL 90 N 4.54 4.45 -1.27 10.11 0.31 -1.26 -1.63 118.33 133.58 1g1x n VAL 90 Ca -0.02 -4.93 -0.30 0.00 -0.01 0.00 0.00 64.34 59.07 1g1x n VAL 90 Cb 0.42 -2.44 0.11 0.00 -0.91 0.00 0.00 33.84 31.03 1g1x n VAL 90 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1g1x s VAL 91 N 0.27 2.98 0.07 2.52 1.01 -0.53 -4.79 120.40 121.93 1g1x s VAL 91 Ca 0.38 0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.69 1g1x s VAL 91 Cb -0.01 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1g1x s VAL 91 CO -0.01 -0.41 0.16 -0.75 0.00 0.00 0.00 175.10 174.09 1g1x s LYS 92 N -4.95 3.22 0.72 2.72 2.20 -1.26 -0.86 119.74 121.53 1g1x s LYS 92 Ca 0.62 -0.54 -0.18 0.00 -0.36 0.00 0.00 55.97 55.51 1g1x s LYS 92 Cb -0.17 -2.91 -0.14 0.00 -1.51 0.00 0.00 37.83 33.10 1g1x s LYS 92 CO 0.56 0.59 -1.00 -1.13 -0.36 0.00 0.00 175.35 174.01 1g1x n SER 93 N 0.35 -2.66 0.00 1.43 3.41 -1.00 -4.82 113.62 110.33 1g1x n SER 93 Ca -0.06 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1g1x n SER 93 Cb 0.51 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1g1x n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g1x n GLN 94 N 1.80 0.00 -1.88 4.33 6.02 -1.26 -5.06 117.38 121.32 1g1x n GLN 94 Ca -0.01 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.59 1g1x n GLN 94 Cb 0.51 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.80 1g1x n GLN 94 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1g1x s GLU 95 N 0.00 3.37 0.64 -1.09 0.41 -1.26 -4.92 118.70 115.86 1g1x s GLU 95 Ca 0.00 2.18 -0.18 0.00 -0.41 0.00 0.00 54.97 56.56 1g1x s GLU 95 Cb 0.00 -2.37 -0.02 0.00 -1.78 0.00 0.00 34.13 29.96 1g1x s GLU 95 CO 0.00 -0.99 1.21 -0.35 -0.49 0.00 0.00 175.26 174.64 1g1x n PRO 96 N -0.75 1.03 -3.86 0.39 -0.04 -1.26 -4.98 135.00 125.53 1g1x n PRO 96 Ca 0.09 0.41 -0.35 0.00 -0.04 0.00 0.00 63.50 63.60 1g1x n PRO 96 Cb 0.45 -2.44 -0.14 0.00 -0.04 0.00 0.00 33.50 31.33 1g1x n PRO 96 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1g1x s PHE 97 N -1.44 3.00 0.00 0.54 5.36 -1.26 -5.35 117.98 118.84 1g1x s PHE 97 Ca 0.81 -0.83 0.00 0.00 -0.96 0.00 0.00 56.93 55.95 1g1x s PHE 97 Cb -0.39 -2.15 0.00 0.00 -0.34 0.00 0.00 43.02 40.15 1g1x s PHE 97 CO 0.42 -0.51 0.00 -0.11 -1.46 0.00 0.00 175.22 173.56