#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gm1 s PRO 10 N 0.00 0.91 0.00 -1.58 0.04 -1.26 -4.89 135.00 128.22 1gm1 s PRO 10 Ca 0.00 -0.68 0.00 0.00 0.04 0.00 0.00 61.00 60.36 1gm1 s PRO 10 Cb 0.00 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1gm1 s PRO 10 CO 0.00 -2.14 0.00 0.41 0.04 0.00 0.00 177.00 175.31 1gm1 n GLY 11 N -3.48 0.48 3.79 0.56 0.00 -0.77 -5.03 105.19 100.74 1gm1 n GLY 11 Ca 0.16 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 1gm1 n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1gm1 s ASP 12 N -1.96 6.53 0.35 1.61 2.15 -1.25 -4.82 116.67 119.28 1gm1 s ASP 12 Ca 0.00 0.63 -0.08 0.00 0.43 0.00 0.00 52.55 53.53 1gm1 s ASP 12 Cb 0.00 -2.18 -0.06 0.00 -0.30 0.00 0.00 42.92 40.38 1gm1 s ASP 12 CO 0.00 0.23 0.67 -0.89 -0.17 0.00 0.00 175.17 175.01 1gm1 s THR 13 N -0.30 4.88 -0.07 1.71 2.01 -1.26 0.05 115.64 122.66 1gm1 s THR 13 Ca 0.18 0.40 -0.08 0.00 0.31 0.00 0.00 61.69 62.50 1gm1 s THR 13 Cb -0.14 -3.72 0.02 0.00 0.01 0.00 0.00 72.50 68.67 1gm1 s THR 13 CO 0.07 -0.40 0.22 -0.36 -0.69 0.00 0.00 174.62 173.45 1gm1 s PHE 14 N -2.21 -0.21 -0.27 4.92 0.40 -0.15 -4.93 117.98 115.53 1gm1 s PHE 14 Ca 0.48 0.51 -0.18 0.00 -0.60 0.00 0.00 56.93 57.14 1gm1 s PHE 14 Cb -0.10 0.07 -0.03 0.00 0.51 0.00 0.00 43.02 43.47 1gm1 s PHE 14 CO 0.30 -0.14 0.50 -1.21 0.70 0.00 0.00 175.22 175.36 1gm1 s GLU 15 N -0.09 4.04 -0.45 0.44 2.02 -1.26 -1.23 118.70 122.18 1gm1 s GLU 15 Ca -0.02 0.27 -0.08 0.00 0.02 0.00 0.00 54.97 55.16 1gm1 s GLU 15 Cb -0.02 -3.66 0.11 0.00 0.10 0.00 0.00 34.13 30.65 1gm1 s GLU 15 CO 0.01 -0.36 0.30 0.08 0.02 0.00 0.00 175.26 175.30 1gm1 s VAL 16 N 2.30 4.09 -1.19 2.63 1.01 -0.05 -4.97 120.40 124.21 1gm1 s VAL 16 Ca 0.21 -1.70 -0.12 0.00 0.00 0.00 0.00 61.98 60.36 1gm1 s VAL 16 Cb -0.16 -3.64 0.20 0.00 0.00 0.00 0.00 36.38 32.78 1gm1 s VAL 16 CO 0.09 -0.68 1.37 -0.62 0.00 0.00 0.00 175.10 175.27 1gm1 n GLU 17 N 4.87 3.44 -4.12 2.72 1.02 -1.26 -0.57 120.64 126.73 1gm1 n GLU 17 Ca -0.08 -4.01 -0.35 0.00 -0.02 0.00 0.00 57.16 52.71 1gm1 n GLU 17 Cb 0.41 -2.91 -0.09 0.00 -0.02 0.00 0.00 31.44 28.83 1gm1 n GLU 17 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1gm1 s LEU 18 N 0.72 3.76 0.00 -4.62 2.96 -0.20 -4.92 118.68 116.39 1gm1 s LEU 18 Ca 0.40 0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 54.41 1gm1 s LEU 18 Cb -0.04 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 1gm1 s LEU 18 CO -0.02 0.25 0.15 0.00 -1.32 0.00 0.00 176.35 175.41 1gm1 s ALA 19 N -0.10 3.82 0.74 5.97 0.00 -1.26 0.39 121.76 131.33 1gm1 s ALA 19 Ca 0.06 -0.82 -0.12 0.00 0.00 0.00 0.00 51.96 51.09 1gm1 s ALA 19 Cb -0.12 -1.76 0.04 0.00 0.00 0.00 0.00 23.12 21.28 1gm1 s ALA 19 CO 0.01 0.73 1.10 0.15 0.00 0.00 0.00 175.76 177.75 1gm1 s LYS 20 N -1.93 2.40 -0.37 0.00 1.02 -0.72 -4.84 119.74 115.30 1gm1 s LYS 20 Ca 0.26 1.23 -0.04 0.00 0.02 0.00 0.00 55.97 57.44 1gm1 s LYS 20 Cb -0.12 -1.91 0.08 0.00 -0.52 0.00 0.00 37.83 35.35 1gm1 s LYS 20 CO 0.18 -1.54 0.14 -0.08 -0.92 0.00 0.00 175.35 173.12 1gm1 s THR 21 N -2.75 3.42 -0.53 2.17 -1.32 -0.84 -4.73 115.64 111.06 1gm1 s THR 21 Ca 0.63 -1.61 -0.12 0.00 -1.21 0.00 0.00 61.69 59.38 1gm1 s THR 21 Cb -0.18 -3.13 0.02 0.00 -1.51 0.00 0.00 72.50 67.70 1gm1 s THR 21 CO 0.52 -0.41 0.32 -0.67 -2.21 0.00 0.00 174.62 172.17 1gm1 n ASP 22 N 4.69 -2.08 0.00 8.08 2.03 -1.26 -1.77 116.55 126.23 1gm1 n ASP 22 Ca -0.08 -0.58 0.00 0.00 0.52 0.00 0.00 54.79 54.64 1gm1 n ASP 22 Cb 0.43 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 1gm1 n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1gm1 n GLY 23 N -1.36 0.52 3.23 0.27 0.00 -1.26 -5.04 105.19 101.55 1gm1 n GLY 23 Ca -0.09 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1gm1 n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gm1 s SER 24 N -2.01 2.91 -0.10 1.61 0.01 -0.73 -5.03 113.70 110.36 1gm1 s SER 24 Ca 0.00 -0.49 -0.06 0.00 1.31 0.00 0.00 55.95 56.70 1gm1 s SER 24 Cb 0.00 -0.91 -0.02 0.00 0.21 0.00 0.00 66.02 65.29 1gm1 s SER 24 CO 0.00 0.21 -0.12 -0.07 0.41 0.00 0.00 173.24 173.67 1gm1 h LEU 25 N 6.24 0.00 0.00 2.44 3.38 -1.94 -2.24 115.31 123.19 1gm1 h LEU 25 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1gm1 h LEU 25 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1gm1 h LEU 25 CO 0.47 0.52 0.00 0.61 0.09 0.00 0.00 178.44 180.13 1gm1 n GLY 26 N 1.66 1.56 3.10 0.83 0.00 -1.26 0.13 105.19 111.22 1gm1 n GLY 26 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 1gm1 n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1gm1 s ILE 27 N -2.00 1.43 -0.40 -0.61 -4.36 -1.26 -1.22 121.20 112.78 1gm1 s ILE 27 Ca 0.00 -0.67 -0.10 0.00 -0.26 0.00 0.00 60.65 59.62 1gm1 s ILE 27 Cb 0.00 -1.27 0.06 0.00 1.25 0.00 0.00 42.46 42.50 1gm1 s ILE 27 CO 0.00 0.42 0.24 -0.55 0.24 0.00 0.00 174.94 175.29 1gm1 s SER 28 N 0.41 5.69 0.14 4.36 0.15 -0.46 -4.95 113.70 119.04 1gm1 s SER 28 Ca -0.13 -1.31 0.06 0.00 0.70 0.00 0.00 55.95 55.28 1gm1 s SER 28 Cb -0.15 -2.01 -0.04 0.00 -1.71 0.00 0.00 66.02 62.11 1gm1 s SER 28 CO 0.05 -0.48 0.00 0.68 1.20 0.00 0.00 173.24 174.68 1gm1 s VAL 29 N 1.48 3.84 0.32 4.45 -7.23 -1.26 -0.30 120.40 121.69 1gm1 s VAL 29 Ca 0.02 -1.25 -0.08 0.00 -1.81 0.00 0.00 61.98 58.87 1gm1 s VAL 29 Cb -0.22 -2.89 0.01 0.00 0.56 0.00 0.00 36.38 33.84 1gm1 s VAL 29 CO 0.04 -0.02 0.51 0.28 -0.31 0.00 0.00 175.10 175.60 1gm1 s THR 30 N -1.55 0.00 0.00 5.32 -1.32 0.31 -4.86 115.64 113.53 1gm1 s THR 30 Ca 0.27 -1.47 0.00 0.00 -1.21 0.00 0.00 61.69 59.28 1gm1 s THR 30 Cb -0.10 -2.53 0.00 0.00 -1.51 0.00 0.00 72.50 68.36 1gm1 s THR 30 CO 0.18 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.20 1gm1 n GLY 31 N -0.49 0.10 0.00 6.08 0.00 -1.26 -0.16 105.19 109.45 1gm1 n GLY 31 Ca -0.01 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1gm1 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gm1 n GLY 32 N 0.00 -1.54 0.09 -0.02 0.00 0.46 -3.79 105.19 100.38 1gm1 n GLY 32 Ca 0.00 -2.10 -0.10 0.00 0.00 0.00 0.00 46.02 43.82 1gm1 n GLY 32 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1gm1 n VAL 33 N -0.01 1.11 1.17 1.61 3.14 -1.24 -2.95 118.33 121.16 1gm1 n VAL 33 Ca 0.00 -0.57 0.12 0.00 -2.96 0.00 0.00 64.34 60.93 1gm1 n VAL 33 Cb 0.00 -0.84 0.25 0.00 -1.06 0.00 0.00 33.84 32.18 1gm1 n VAL 33 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1gm1 n ASN 34 N -2.79 1.52 0.00 6.55 3.02 -1.26 -4.85 115.26 117.45 1gm1 n ASN 34 Ca -0.30 -1.22 0.00 0.00 -0.03 0.00 0.00 54.58 53.03 1gm1 n ASN 34 Cb 0.96 0.23 0.00 0.00 -0.61 0.00 0.00 39.78 40.36 1gm1 n ASN 34 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1gm1 n THR 35 N -0.25 0.00 -0.00 3.41 -2.24 -1.26 -4.98 114.28 108.95 1gm1 n THR 35 Ca 0.12 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.72 1gm1 n THR 35 Cb 0.40 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.55 1gm1 n THR 35 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1gm1 h SER 36 N 0.00 0.94 -3.28 3.42 0.87 -1.90 -3.45 113.55 110.14 1gm1 h SER 36 Ca 0.00 -0.65 -0.54 0.00 -1.23 0.00 0.00 61.79 59.37 1gm1 h SER 36 Cb 0.00 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.67 1gm1 h SER 36 CO 0.00 1.46 0.50 0.68 -0.53 0.00 0.00 176.83 178.93 1gm1 s VAL 37 N -3.62 4.47 0.25 2.23 -7.23 -1.26 -4.93 120.40 110.31 1gm1 s VAL 37 Ca -0.10 1.77 0.11 0.00 -1.81 0.00 0.00 61.98 61.96 1gm1 s VAL 37 Cb 0.08 -4.14 -0.01 0.00 0.56 0.00 0.00 36.38 32.87 1gm1 s VAL 37 CO 0.91 0.11 1.62 0.03 -0.31 0.00 0.00 175.10 177.46 1gm1 h ARG 38 N 6.90 0.00 0.00 4.82 2.47 -1.88 -3.37 114.38 123.31 1gm1 h ARG 38 Ca -0.40 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.30 1gm1 h ARG 38 Cb 1.21 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.52 1gm1 h ARG 38 CO 0.80 0.60 -0.10 0.45 0.56 0.00 0.00 179.97 182.27 1gm1 h HIS 39 N 0.00 0.00 -3.85 3.04 3.86 -1.92 -3.48 115.15 112.80 1gm1 h HIS 39 Ca -0.01 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1gm1 h HIS 39 Cb 1.09 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.57 1gm1 h HIS 39 CO 0.00 0.10 -0.06 0.41 0.86 0.00 0.00 177.93 179.24 1gm1 n GLY 40 N -0.90 -0.48 0.00 2.45 0.00 -1.23 -5.06 105.19 99.96 1gm1 n GLY 40 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1gm1 n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gm1 n GLY 41 N -1.30 0.20 3.62 -0.02 0.00 -1.15 -4.68 105.19 101.86 1gm1 n GLY 41 Ca -0.00 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 1gm1 n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gm1 s ILE 42 N -2.00 4.77 0.08 -0.61 -1.09 -1.26 -0.41 121.20 120.69 1gm1 s ILE 42 Ca 0.00 -0.04 0.07 0.00 -2.23 0.00 0.00 60.65 58.45 1gm1 s ILE 42 Cb 0.00 -3.16 -0.03 0.00 -1.58 0.00 0.00 42.46 37.69 1gm1 s ILE 42 CO 0.00 0.45 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.67 1gm1 s TYR 43 N 0.48 1.52 -0.13 3.97 2.02 0.78 -1.38 117.35 124.60 1gm1 s TYR 43 Ca 0.03 -0.43 -0.29 0.00 -0.37 0.00 0.00 57.07 56.01 1gm1 s TYR 43 Cb -0.13 -0.85 -0.01 0.00 -0.40 0.00 0.00 41.96 40.57 1gm1 s TYR 43 CO 0.01 0.13 1.15 0.08 -1.57 0.00 0.00 175.55 175.35 1gm1 s VAL 44 N -1.17 4.44 -0.20 0.71 1.01 -0.59 -0.53 120.40 124.08 1gm1 s VAL 44 Ca 0.03 1.74 -0.22 0.00 0.00 0.00 0.00 61.98 63.53 1gm1 s VAL 44 Cb -0.10 -4.12 -0.19 0.00 0.00 0.00 0.00 36.38 31.97 1gm1 s VAL 44 CO 0.03 -0.08 0.28 0.50 0.00 0.00 0.00 175.10 175.83 1gm1 h LYS 45 N 7.62 0.00 -3.50 2.72 3.64 -0.99 -0.38 116.57 125.68 1gm1 h LYS 45 Ca -0.28 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.02 1gm1 h LYS 45 Cb 1.12 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.80 1gm1 h LYS 45 CO 0.92 0.96 -0.22 0.00 -2.27 0.00 0.00 179.45 178.84 1gm1 s ALA 46 N -2.36 -0.64 -0.20 5.00 0.00 -1.00 -4.60 121.76 117.97 1gm1 s ALA 46 Ca -0.27 -0.22 -0.02 0.00 0.00 0.00 0.00 51.96 51.46 1gm1 s ALA 46 Cb 0.04 0.53 0.00 0.00 0.00 0.00 0.00 23.12 23.69 1gm1 s ALA 46 CO 0.59 -0.54 -0.11 -1.50 0.00 0.00 0.00 175.76 174.20 1gm1 s ILE 47 N -3.49 2.81 -0.20 0.00 1.10 -1.26 -1.35 121.20 118.81 1gm1 s ILE 47 Ca 0.02 -0.69 -0.29 0.00 -0.51 0.00 0.00 60.65 59.18 1gm1 s ILE 47 Cb 0.02 -2.24 -0.01 0.00 0.15 0.00 0.00 42.46 40.39 1gm1 s ILE 47 CO -0.09 0.48 1.20 -0.63 -2.11 0.00 0.00 174.94 173.78 1gm1 s ILE 48 N 1.35 4.38 0.14 2.00 -1.09 -0.36 -4.97 121.20 122.66 1gm1 s ILE 48 Ca 0.05 1.66 -0.31 0.00 -2.23 0.00 0.00 60.65 59.82 1gm1 s ILE 48 Cb -0.14 -4.10 -0.10 0.00 -1.58 0.00 0.00 42.46 36.54 1gm1 s ILE 48 CO -0.07 -0.18 1.63 -2.16 -1.23 0.00 0.00 174.94 172.93 1gm1 s PRO 49 N 3.47 4.19 0.00 2.79 0.04 -1.26 -1.90 135.00 142.34 1gm1 s PRO 49 Ca 0.52 2.40 0.00 0.00 0.04 0.00 0.00 61.00 63.96 1gm1 s PRO 49 Cb -0.19 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1gm1 s PRO 49 CO 0.13 -0.68 0.00 1.63 0.04 0.00 0.00 177.00 178.12 1gm1 n LYS 50 N 4.58 0.00 -2.29 4.56 5.02 -1.26 -5.08 118.16 123.70 1gm1 n LYS 50 Ca 0.15 0.38 -0.29 0.00 -2.02 0.00 0.00 58.31 56.53 1gm1 n LYS 50 Cb 0.39 -3.45 0.01 0.00 -0.02 0.00 0.00 35.03 31.96 1gm1 n LYS 50 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1gm1 s GLY 51 N -2.88 1.58 0.10 0.72 0.00 -0.80 -4.98 107.32 101.06 1gm1 s GLY 51 Ca 0.00 -0.37 -0.35 0.00 0.00 0.00 0.00 44.72 44.00 1gm1 s GLY 51 CO 0.00 -0.14 1.56 0.00 0.00 0.00 0.00 173.10 174.52 1gm1 h ALA 52 N -0.07 -1.03 -0.35 3.20 0.00 -1.07 -2.24 119.26 117.70 1gm1 h ALA 52 Ca -0.46 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 1gm1 h ALA 52 Cb 1.21 0.84 -0.01 0.00 0.00 0.00 0.00 17.79 19.82 1gm1 h ALA 52 CO 0.62 -1.14 0.09 0.00 0.00 0.00 0.00 179.25 178.82 1gm1 h ALA 53 N -0.62 0.46 -0.32 0.00 0.00 -0.61 -2.43 119.26 115.74 1gm1 h ALA 53 Ca -0.02 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1gm1 h ALA 53 Cb 0.80 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1gm1 h ALA 53 CO -0.22 0.12 -0.33 1.49 0.00 0.00 0.00 179.25 180.31 1gm1 h GLU 54 N 0.41 -0.17 0.00 0.00 4.22 -1.68 -2.97 114.58 114.38 1gm1 h GLU 54 Ca 0.11 0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.54 1gm1 h GLU 54 Cb 0.29 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1gm1 h GLU 54 CO 0.00 -0.11 -0.12 0.77 -2.18 0.00 0.00 179.01 177.37 1gm1 h SER 55 N -0.18 0.00 0.72 1.04 0.02 -1.38 -3.26 113.55 110.51 1gm1 h SER 55 Ca 0.05 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1gm1 h SER 55 Cb 0.32 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 1gm1 h SER 55 CO -0.39 0.12 -0.42 -0.78 -1.14 0.00 0.00 176.83 174.22 1gm1 h ASP 56 N 0.00 -1.04 0.00 3.07 3.58 -1.28 -3.48 116.42 117.28 1gm1 h ASP 56 Ca -0.00 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1gm1 h ASP 56 Cb 0.60 0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.95 1gm1 h ASP 56 CO 0.02 -0.66 0.00 0.61 -2.88 0.00 0.00 179.24 176.33 1gm1 n GLY 57 N -1.54 0.75 0.12 -0.78 0.00 -1.17 -4.88 105.19 97.68 1gm1 n GLY 57 Ca -0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 1gm1 n GLY 57 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1gm1 h ARG 58 N 3.61 0.19 -5.92 1.61 2.47 -1.92 -3.43 114.38 110.99 1gm1 h ARG 58 Ca 0.00 -0.24 -0.59 0.00 -1.26 0.00 0.00 59.98 57.89 1gm1 h ARG 58 Cb 0.00 0.08 -0.06 0.00 -1.65 0.00 0.00 29.97 28.33 1gm1 h ARG 58 CO 0.00 1.01 -0.16 0.42 0.56 0.00 0.00 179.97 181.80 1gm1 s ILE 59 N -3.06 5.05 0.17 2.04 1.01 -1.26 -4.95 121.20 120.20 1gm1 s ILE 59 Ca -0.03 0.93 -0.22 0.00 0.00 0.00 0.00 60.65 61.33 1gm1 s ILE 59 Cb 0.10 -3.78 0.06 0.00 0.01 0.00 0.00 42.46 38.85 1gm1 s ILE 59 CO 0.84 0.47 0.59 -2.28 0.00 0.00 0.00 174.94 174.57 1gm1 s HIS 60 N -0.39 -0.48 0.26 3.97 2.46 -1.26 -4.77 115.29 115.08 1gm1 s HIS 60 Ca 0.25 0.24 -0.30 0.00 0.47 0.00 0.00 55.06 55.72 1gm1 s HIS 60 Cb -0.16 0.55 -0.10 0.00 -0.13 0.00 0.00 32.58 32.73 1gm1 s HIS 60 CO 0.13 -0.87 1.45 -1.59 -2.47 0.00 0.00 174.74 171.38 1gm1 s LYS 61 N -3.77 4.25 0.00 2.88 -2.85 -1.26 -2.22 119.74 116.78 1gm1 s LYS 61 Ca 0.02 2.33 0.00 0.00 -1.00 0.00 0.00 55.97 57.32 1gm1 s LYS 61 Cb -0.01 -3.10 0.00 0.00 -2.06 0.00 0.00 37.83 32.66 1gm1 s LYS 61 CO -0.11 -0.43 0.00 0.41 0.10 0.00 0.00 175.35 175.32 1gm1 n GLY 62 N 2.06 0.75 3.89 0.59 0.00 -0.15 -5.02 105.19 107.31 1gm1 n GLY 62 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1gm1 n GLY 62 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1gm1 s ASP 63 N -2.51 5.18 -0.18 1.61 1.47 -0.94 -4.62 116.67 116.68 1gm1 s ASP 63 Ca 0.00 1.02 -0.03 0.00 1.18 0.00 0.00 52.55 54.72 1gm1 s ASP 63 Cb 0.00 -1.73 -0.02 0.00 -0.34 0.00 0.00 42.92 40.84 1gm1 s ASP 63 CO 0.00 -1.50 -0.07 -0.60 0.68 0.00 0.00 175.17 173.68 1gm1 s ARG 64 N -5.42 3.46 0.12 2.11 6.06 -1.12 -1.54 118.95 122.63 1gm1 s ARG 64 Ca 0.59 -0.62 -0.24 0.00 -2.50 0.00 0.00 55.73 52.97 1gm1 s ARG 64 Cb -0.11 -2.87 -0.07 0.00 0.06 0.00 0.00 34.95 31.96 1gm1 s ARG 64 CO 0.51 0.04 0.71 0.08 -2.50 0.00 0.00 175.30 174.15 1gm1 s VAL 65 N 0.84 4.52 -0.18 7.11 1.01 -0.48 -1.24 120.40 131.99 1gm1 s VAL 65 Ca -0.02 1.55 -0.11 0.00 0.00 0.00 0.00 61.98 63.40 1gm1 s VAL 65 Cb -0.15 -4.07 -0.07 0.00 0.00 0.00 0.00 36.38 32.09 1gm1 s VAL 65 CO 0.01 0.51 -0.26 0.18 0.00 0.00 0.00 175.10 175.54 1gm1 n LEU 66 N 1.79 1.54 -3.73 3.92 4.32 -0.47 -4.50 117.00 119.87 1gm1 n LEU 66 Ca -0.07 0.26 -0.14 0.00 -0.02 0.00 0.00 56.01 56.05 1gm1 n LEU 66 Cb 0.49 -0.62 -0.08 0.00 -1.62 0.00 0.00 43.42 41.60 1gm1 n LEU 66 CO 0.45 0.16 0.07 0.00 -1.22 0.00 0.00 177.39 176.85 1gm1 s ALA 67 N -2.47 -0.87 -0.28 -1.18 0.00 -0.67 -1.09 121.76 115.19 1gm1 s ALA 67 Ca -0.27 0.39 0.03 0.00 0.00 0.00 0.00 51.96 52.11 1gm1 s ALA 67 Cb 0.08 0.10 0.07 0.00 0.00 0.00 0.00 23.12 23.38 1gm1 s ALA 67 CO 0.35 -0.29 -0.06 0.54 0.00 0.00 0.00 175.76 176.30 1gm1 s VAL 68 N -1.47 2.29 -1.48 0.00 0.11 -0.17 -0.74 120.40 118.94 1gm1 s VAL 68 Ca -0.12 -1.77 -0.07 0.00 -2.93 0.00 0.00 61.98 57.09 1gm1 s VAL 68 Cb -0.04 -2.42 0.02 0.00 -1.53 0.00 0.00 36.38 32.40 1gm1 s VAL 68 CO 0.04 -0.17 0.82 -3.20 -3.33 0.00 0.00 175.10 169.26 1gm1 n ASN 69 N 4.41 -6.03 0.00 3.54 5.15 0.94 -0.80 115.26 122.48 1gm1 n ASN 69 Ca -0.10 -0.41 0.00 0.00 -0.60 0.00 0.00 54.58 53.48 1gm1 n ASN 69 Cb 0.42 -4.83 0.00 0.00 -0.53 0.00 0.00 39.78 34.85 1gm1 n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1gm1 n GLY 70 N -1.68 2.50 3.63 8.20 0.00 -1.26 -4.98 105.19 111.60 1gm1 n GLY 70 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1gm1 n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gm1 s VAL 71 N -2.60 4.92 -0.15 1.61 1.01 0.02 -4.98 120.40 120.22 1gm1 s VAL 71 Ca 0.00 1.25 -0.29 0.00 0.00 0.00 0.00 61.98 62.94 1gm1 s VAL 71 Cb 0.00 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1gm1 s VAL 71 CO 0.00 -0.04 1.56 -0.44 0.00 0.00 0.00 175.10 176.18 1gm1 s SER 72 N 1.46 6.59 0.00 3.32 0.01 -1.26 -1.00 113.70 122.81 1gm1 s SER 72 Ca 0.29 1.84 0.29 0.00 1.31 0.00 0.00 55.95 59.68 1gm1 s SER 72 Cb -0.15 -2.53 1.29 0.00 0.21 0.00 0.00 66.02 64.83 1gm1 s SER 72 CO 0.09 -1.05 1.90 0.18 0.41 0.00 0.00 173.24 174.77 1gm1 n LEU 73 N 7.63 0.40 -4.64 2.44 4.77 -0.25 -4.77 117.00 122.59 1gm1 n LEU 73 Ca 0.17 0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.76 1gm1 n LEU 73 Cb 0.44 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 1gm1 n LEU 73 CO 0.62 0.07 1.18 -1.61 -1.33 0.00 0.00 177.39 176.33 1gm1 s GLU 74 N -2.46 3.98 0.00 3.23 2.02 -1.26 -2.13 118.70 122.07 1gm1 s GLU 74 Ca 0.30 1.47 0.00 0.00 0.02 0.00 0.00 54.97 56.76 1gm1 s GLU 74 Cb 0.20 -3.89 0.00 0.00 0.10 0.00 0.00 34.13 30.54 1gm1 s GLU 74 CO 0.47 -1.05 0.00 0.41 0.02 0.00 0.00 175.26 175.11 1gm1 n GLY 75 N 4.21 2.90 3.78 -1.39 0.00 -1.26 -5.08 105.19 108.35 1gm1 n GLY 75 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1gm1 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gm1 s ALA 76 N -2.57 2.83 0.77 4.61 0.00 -0.90 -4.70 121.76 121.80 1gm1 s ALA 76 Ca 0.00 0.79 -0.03 0.00 0.00 0.00 0.00 51.96 52.72 1gm1 s ALA 76 Cb 0.00 -3.33 0.15 0.00 0.00 0.00 0.00 23.12 19.93 1gm1 s ALA 76 CO 0.00 -0.59 1.00 2.41 0.00 0.00 0.00 175.76 178.57 1gm1 n THR 77 N -0.92 0.00 -0.06 0.00 -1.04 -1.26 -3.67 114.28 107.33 1gm1 n THR 77 Ca 0.09 -1.38 -0.10 0.00 -2.04 0.00 0.00 64.05 60.62 1gm1 n THR 77 Cb 0.50 -1.03 -0.03 0.00 -1.82 0.00 0.00 70.33 67.95 1gm1 n THR 77 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 1gm1 h HIS 78 N -0.80 0.30 -0.42 -1.42 2.76 -1.94 -2.86 115.15 110.78 1gm1 h HIS 78 Ca -0.33 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 57.89 1gm1 h HIS 78 Cb 1.14 -0.10 -0.04 0.00 1.55 0.00 0.00 27.41 29.96 1gm1 h HIS 78 CO 0.00 0.25 0.17 0.87 -1.30 0.00 0.00 177.93 177.92 1gm1 h LYS 79 N 0.26 0.34 -0.11 5.26 6.56 -1.95 -3.09 116.57 123.84 1gm1 h LYS 79 Ca 0.08 -0.02 0.03 0.00 -1.06 0.00 0.00 60.65 59.68 1gm1 h LYS 79 Cb 0.04 -0.08 -0.04 0.00 -0.57 0.00 0.00 32.23 31.59 1gm1 h LYS 79 CO -0.01 0.22 -0.10 1.96 -2.06 0.00 0.00 179.45 179.46 1gm1 h GLN 80 N 0.35 -0.12 -0.52 3.15 7.50 -1.89 0.89 115.11 124.46 1gm1 h GLN 80 Ca 0.19 0.01 -0.04 0.00 0.50 0.00 0.00 58.65 59.31 1gm1 h GLN 80 Cb 0.16 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.69 1gm1 h GLN 80 CO -0.18 -0.08 0.16 0.00 -1.50 0.00 0.00 178.83 177.24 1gm1 h ALA 81 N 0.96 1.31 -0.03 3.87 0.00 -1.59 0.15 119.26 123.92 1gm1 h ALA 81 Ca 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1gm1 h ALA 81 Cb 0.24 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1gm1 h ALA 81 CO -0.19 0.50 -0.01 0.28 0.00 0.00 0.00 179.25 179.83 1gm1 h VAL 82 N 0.76 1.29 -0.61 0.00 2.07 -1.34 -1.28 116.25 117.15 1gm1 h VAL 82 Ca 0.18 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1gm1 h VAL 82 Cb 0.22 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1gm1 h VAL 82 CO -0.01 0.24 0.25 -0.33 0.02 0.00 0.00 177.57 177.74 1gm1 h GLU 83 N -0.29 0.88 0.15 1.57 5.08 -0.68 -0.48 114.58 120.81 1gm1 h GLU 83 Ca 0.01 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1gm1 h GLU 83 Cb 0.38 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1gm1 h GLU 83 CO 0.00 0.71 -0.13 1.15 -1.00 0.00 0.00 179.01 179.75 1gm1 h THR 84 N 0.87 0.72 -0.56 1.13 2.02 -0.65 0.35 112.91 116.77 1gm1 h THR 84 Ca 0.21 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.34 1gm1 h THR 84 Cb 0.16 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 1gm1 h THR 84 CO -0.02 0.00 0.17 -0.07 0.37 0.00 0.00 175.52 175.97 1gm1 h LEU 85 N -0.29 0.78 -0.61 2.58 3.38 -0.98 -2.73 115.31 117.45 1gm1 h LEU 85 Ca -0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1gm1 h LEU 85 Cb 0.27 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1gm1 h LEU 85 CO -0.02 0.74 0.29 -0.09 0.09 0.00 0.00 178.44 179.45 1gm1 h ARG 86 N 0.82 0.88 -1.69 1.13 1.12 -0.91 -2.92 114.38 112.81 1gm1 h ARG 86 Ca 0.19 -0.13 -0.35 0.00 -1.11 0.00 0.00 59.98 58.57 1gm1 h ARG 86 Cb 0.24 -0.16 -0.14 0.00 -0.01 0.00 0.00 29.97 29.91 1gm1 h ARG 86 CO -0.01 0.71 0.35 -1.71 -3.11 0.00 0.00 179.97 176.21 1gm1 n ASN 87 N -4.51 6.37 -4.94 -3.80 5.15 0.10 -4.89 115.26 108.74 1gm1 n ASN 87 Ca 0.04 -3.05 -0.25 0.00 -0.60 0.00 0.00 54.58 50.72 1gm1 n ASN 87 Cb 0.13 -1.13 -0.03 0.00 -0.53 0.00 0.00 39.78 38.22 1gm1 n ASN 87 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1gm1 s THR 88 N -2.03 5.23 0.00 -0.44 -4.23 -1.11 -4.93 115.64 108.13 1gm1 s THR 88 Ca 0.39 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 60.10 1gm1 s THR 88 Cb 0.27 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 70.38 1gm1 s THR 88 CO -0.06 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 1gm1 n GLY 89 N -0.74 1.62 0.23 3.99 0.00 -1.26 -5.04 105.19 103.99 1gm1 n GLY 89 Ca -0.08 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.10 1gm1 n GLY 89 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1gm1 h GLN 90 N 0.00 -0.49 -5.39 1.61 1.08 -1.99 -3.44 115.11 106.48 1gm1 h GLN 90 Ca 0.00 0.03 -0.63 0.00 -1.45 0.00 0.00 58.65 56.60 1gm1 h GLN 90 Cb 0.00 0.11 -0.16 0.00 -0.05 0.00 0.00 27.48 27.38 1gm1 h GLN 90 CO 0.00 -0.20 -0.57 0.08 -0.95 0.00 0.00 178.83 177.19 1gm1 s VAL 91 N -3.89 4.69 -0.14 -0.54 1.01 -1.26 -1.76 120.40 118.51 1gm1 s VAL 91 Ca -0.12 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1gm1 s VAL 91 Cb 0.01 -3.09 0.02 0.00 0.00 0.00 0.00 36.38 33.33 1gm1 s VAL 91 CO 0.40 0.49 -0.14 -0.69 0.00 0.00 0.00 175.10 175.16 1gm1 s VAL 92 N 0.11 1.57 -0.63 2.92 1.01 0.16 -4.99 120.40 120.55 1gm1 s VAL 92 Ca 0.04 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 1gm1 s VAL 92 Cb -0.12 -1.46 0.16 0.00 0.00 0.00 0.00 36.38 34.96 1gm1 s VAL 92 CO 0.01 0.46 0.50 -1.00 0.00 0.00 0.00 175.10 175.07 1gm1 s HIS 93 N 1.42 3.52 0.40 5.22 3.76 -1.26 -1.03 115.29 127.31 1gm1 s HIS 93 Ca 0.03 -2.25 -0.02 0.00 -0.15 0.00 0.00 55.06 52.68 1gm1 s HIS 93 Cb -0.13 -3.47 -0.03 0.00 1.11 0.00 0.00 32.58 30.06 1gm1 s HIS 93 CO -0.09 -0.93 0.64 -0.51 -0.85 0.00 0.00 174.74 173.00 1gm1 s LEU 94 N 0.45 3.86 -0.07 0.89 2.01 0.27 -0.04 118.68 126.04 1gm1 s LEU 94 Ca 0.14 0.64 0.02 0.00 0.01 0.00 0.00 54.13 54.94 1gm1 s LEU 94 Cb -0.19 -3.54 0.01 0.00 0.01 0.00 0.00 46.19 42.48 1gm1 s LEU 94 CO -0.04 -0.41 -0.13 -0.22 1.01 0.00 0.00 176.35 176.56 1gm1 s LEU 95 N -4.49 1.65 0.23 1.79 2.96 0.09 -0.87 118.68 120.03 1gm1 s LEU 95 Ca 0.43 -0.33 -0.08 0.00 -0.22 0.00 0.00 54.13 53.93 1gm1 s LEU 95 Cb -0.10 -0.89 -0.02 0.00 0.50 0.00 0.00 46.19 45.68 1gm1 s LEU 95 CO 0.40 0.03 0.33 -1.48 -1.32 0.00 0.00 176.35 174.30 1gm1 s LEU 96 N 0.74 0.69 -0.04 -0.68 -0.00 -0.36 -1.37 118.68 117.65 1gm1 s LEU 96 Ca -0.13 -1.12 0.04 0.00 -0.00 0.00 0.00 54.13 52.92 1gm1 s LEU 96 Cb -0.16 1.17 -0.00 0.00 -0.00 0.00 0.00 46.19 47.20 1gm1 s LEU 96 CO 0.03 -1.01 -0.16 -0.70 -0.00 0.00 0.00 176.35 174.51 1gm1 s GLU 97 N -4.08 1.68 -1.28 1.48 2.12 -0.37 -0.97 118.70 117.28 1gm1 s GLU 97 Ca 0.29 -0.56 -0.18 0.00 0.36 0.00 0.00 54.97 54.89 1gm1 s GLU 97 Cb 0.03 -1.46 0.02 0.00 0.26 0.00 0.00 34.13 32.98 1gm1 s GLU 97 CO 0.10 0.21 1.91 1.17 -0.54 0.00 0.00 175.26 178.11 1gm1 n LYS 98 N 3.21 2.73 0.00 4.30 3.00 0.11 -2.79 118.16 128.72 1gm1 n LYS 98 Ca -0.18 -2.87 0.00 0.00 -0.00 0.00 0.00 58.31 55.26 1gm1 n LYS 98 Cb 0.53 -3.44 0.00 0.00 0.00 0.00 0.00 35.03 32.12 1gm1 n LYS 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1gm1 n GLY 99 N 5.07 -1.74 0.07 3.14 0.00 -1.26 -1.85 105.19 108.61 1gm1 n GLY 99 Ca 0.49 -1.33 -0.06 0.00 0.00 0.00 0.00 46.02 45.12 1gm1 n GLY 99 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1gm1 n GLN 100 N -0.53 0.40 -3.99 1.61 6.02 -1.26 -2.66 117.38 116.97 1gm1 n GLN 100 Ca 0.00 0.26 -0.35 0.00 -0.01 0.00 0.00 57.00 56.90 1gm1 n GLN 100 Cb 0.00 -1.32 -0.08 0.00 1.02 0.00 0.00 30.24 29.85 1gm1 n GLN 100 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1gm1 s VAL 101 N -2.36 4.98 -2.00 5.09 -7.23 -1.26 -4.77 120.40 112.85 1gm1 s VAL 101 Ca -0.20 0.03 0.19 0.00 -1.81 0.00 0.00 61.98 60.19 1gm1 s VAL 101 Cb 0.03 -3.21 0.55 0.00 0.56 0.00 0.00 36.38 34.31 1gm1 s VAL 101 CO 0.29 0.52 1.54 -2.65 -0.31 0.00 0.00 175.10 174.50