#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x64 s SER 2 N 0.00 -0.58 0.18 1.61 0.01 -1.26 -5.18 113.70 108.49 1x64 s SER 2 Ca 0.00 0.78 -0.22 0.00 1.31 0.00 0.00 55.95 57.81 1x64 s SER 2 Cb 0.00 0.73 0.07 0.00 0.21 0.00 0.00 66.02 67.03 1x64 s SER 2 CO 0.00 -0.46 1.03 -0.94 0.41 0.00 0.00 173.24 173.27 1x64 s SER 3 N -0.75 -0.02 0.00 2.44 1.04 -1.26 -5.19 113.70 109.96 1x64 s SER 3 Ca -0.08 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1x64 s SER 3 Cb -0.02 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1x64 s SER 3 CO 0.06 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1x64 n GLY 4 N -0.67 3.70 3.55 7.32 0.00 -1.26 -5.19 105.19 112.65 1x64 n GLY 4 Ca -0.04 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 1x64 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x64 s SER 5 N 0.00 -0.39 0.22 1.61 0.01 -1.26 -5.19 113.70 108.70 1x64 s SER 5 Ca 0.00 0.30 -0.21 0.00 1.31 0.00 0.00 55.95 57.35 1x64 s SER 5 Cb 0.00 0.35 0.07 0.00 0.21 0.00 0.00 66.02 66.65 1x64 s SER 5 CO 0.00 -0.45 0.97 -0.44 0.41 0.00 0.00 173.24 173.73 1x64 s SER 6 N -1.55 -0.03 0.00 2.44 0.01 -1.26 -5.18 113.70 108.13 1x64 s SER 6 Ca -0.00 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.53 1x64 s SER 6 Cb -0.01 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.79 1x64 s SER 6 CO -0.01 -1.12 0.00 0.61 0.41 0.00 0.00 173.24 173.13 1x64 n GLY 7 N -0.63 3.07 3.09 3.44 0.00 -1.26 -5.18 105.19 107.73 1x64 n GLY 7 Ca -0.04 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1x64 n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x64 s VAL 8 N 0.00 0.02 0.03 1.61 -7.23 -1.26 -5.17 120.40 108.40 1x64 s VAL 8 Ca 0.00 -0.17 -0.13 0.00 -1.81 0.00 0.00 61.98 59.87 1x64 s VAL 8 Cb 0.00 -0.32 0.02 0.00 0.56 0.00 0.00 36.38 36.63 1x64 s VAL 8 CO 0.00 -0.09 0.27 -0.13 -0.31 0.00 0.00 175.10 174.84 1x64 s ARG 9 N -0.27 0.75 -0.25 4.82 1.81 -1.26 -5.16 118.95 119.39 1x64 s ARG 9 Ca -0.04 -0.47 -0.07 0.00 -1.72 0.00 0.00 55.73 53.43 1x64 s ARG 9 Cb -0.03 0.32 0.12 0.00 -0.45 0.00 0.00 34.95 34.91 1x64 s ARG 9 CO 0.01 -0.23 0.52 0.00 -0.68 0.00 0.00 175.30 174.92 1x64 s ALA 10 N -2.29 -1.58 1.12 2.13 0.00 -1.26 -5.17 121.76 114.71 1x64 s ALA 10 Ca -0.07 1.83 -0.16 0.00 0.00 0.00 0.00 51.96 53.56 1x64 s ALA 10 Cb -0.02 -1.58 0.25 0.00 0.00 0.00 0.00 23.12 21.76 1x64 s ALA 10 CO -0.02 -0.90 1.10 -1.25 0.00 0.00 0.00 175.76 174.70 1x64 s PRO 11 N 2.74 -0.56 -0.22 0.00 0.04 -1.26 -5.08 135.00 130.67 1x64 s PRO 11 Ca -0.01 0.18 -0.03 0.00 0.04 0.00 0.00 61.00 61.17 1x64 s PRO 11 Cb -0.12 -1.65 0.11 0.00 0.04 0.00 0.00 34.50 32.87 1x64 s PRO 11 CO -0.16 -3.32 0.27 0.08 0.04 0.00 0.00 177.00 173.91 1x64 s VAL 12 N -2.99 -0.40 0.02 -0.36 1.01 -1.26 -5.14 120.40 111.27 1x64 s VAL 12 Ca 0.69 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.55 1x64 s VAL 12 Cb -0.14 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 1x64 s VAL 12 CO 0.57 -0.21 -0.09 0.42 0.00 0.00 0.00 175.10 175.79 1x64 s THR 13 N 2.39 0.71 -0.09 3.92 -4.23 -1.26 -5.15 115.64 111.93 1x64 s THR 13 Ca 0.09 -0.65 -0.07 0.00 -1.18 0.00 0.00 61.69 59.88 1x64 s THR 13 Cb -0.15 -0.65 0.03 0.00 1.34 0.00 0.00 72.50 73.06 1x64 s THR 13 CO -0.15 0.02 0.22 -0.54 -0.54 0.00 0.00 174.62 173.63 1x64 s LYS 14 N -0.70 0.24 0.02 3.99 -0.14 -1.26 -5.16 119.74 116.73 1x64 s LYS 14 Ca -0.00 0.35 -0.01 0.00 -1.36 0.00 0.00 55.97 54.96 1x64 s LYS 14 Cb -0.06 0.07 -0.02 0.00 -1.68 0.00 0.00 37.83 36.14 1x64 s LYS 14 CO 0.00 -0.06 -0.02 0.54 -0.76 0.00 0.00 175.35 175.06 1x64 s VAL 15 N 0.38 0.12 -0.21 3.17 0.11 -1.26 -5.16 120.40 117.54 1x64 s VAL 15 Ca -0.02 -0.96 -0.17 0.00 -2.93 0.00 0.00 61.98 57.90 1x64 s VAL 15 Cb -0.04 -0.37 0.06 0.00 -1.53 0.00 0.00 36.38 34.50 1x64 s VAL 15 CO -0.02 -0.53 0.55 -2.28 -3.33 0.00 0.00 175.10 169.50 1x64 s HIS 16 N -1.64 -0.69 0.26 1.54 5.04 -1.26 -5.17 115.29 113.37 1x64 s HIS 16 Ca -0.14 1.56 0.06 0.00 -1.54 0.00 0.00 55.06 55.00 1x64 s HIS 16 Cb -0.08 0.29 -0.03 0.00 0.04 0.00 0.00 32.58 32.80 1x64 s HIS 16 CO -0.01 -0.34 0.30 0.20 -2.34 0.00 0.00 174.74 172.54 1x64 s GLY 17 N 0.74 1.36 -0.29 1.59 0.00 -1.26 -5.12 107.32 104.34 1x64 s GLY 17 Ca -0.04 -1.35 -0.16 0.00 0.00 0.00 0.00 44.72 43.17 1x64 s GLY 17 CO -0.05 -1.36 1.02 -0.32 0.00 0.00 0.00 173.10 172.38 1x64 s GLY 18 N -3.94 0.09 0.33 0.20 0.00 -1.26 -5.18 107.32 97.55 1x64 s GLY 18 Ca 0.35 3.25 -0.14 0.00 0.00 0.00 0.00 44.72 48.18 1x64 s GLY 18 CO 0.27 2.68 0.66 0.00 0.00 0.00 0.00 173.10 176.71 1x64 s ALA 19 N 1.39 -0.46 0.00 3.20 0.00 -1.26 -5.15 121.76 119.47 1x64 s ALA 19 Ca -0.08 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.05 1x64 s ALA 19 Cb -0.04 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.96 1x64 s ALA 19 CO -0.14 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.09 1x64 n GLY 20 N -0.50 0.62 3.86 0.00 0.00 -1.26 -5.14 105.19 102.77 1x64 n GLY 20 Ca -0.04 0.40 -0.37 0.00 0.00 0.00 0.00 46.02 46.00 1x64 n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x64 s SER 21 N 2.00 6.55 -0.21 1.61 0.01 -1.26 -5.08 113.70 117.32 1x64 s SER 21 Ca 0.00 0.66 -0.00 0.00 1.31 0.00 0.00 55.95 57.92 1x64 s SER 21 Cb 0.00 -2.14 0.02 0.00 0.21 0.00 0.00 66.02 64.10 1x64 s SER 21 CO 0.00 0.37 -0.13 0.00 0.41 0.00 0.00 173.24 173.88 1x64 s ALA 22 N -1.00 2.52 1.15 1.44 0.00 -1.26 -5.12 121.76 119.50 1x64 s ALA 22 Ca 0.18 -1.30 -0.19 0.00 0.00 0.00 0.00 51.96 50.66 1x64 s ALA 22 Cb -0.14 -1.42 0.27 0.00 0.00 0.00 0.00 23.12 21.84 1x64 s ALA 22 CO 0.08 -0.52 1.17 -0.65 0.00 0.00 0.00 175.76 175.84 1x64 s GLN 23 N 1.32 -0.87 -0.00 0.00 -1.52 -1.26 -4.89 119.66 112.44 1x64 s GLN 23 Ca 0.03 -0.22 0.00 0.00 -1.95 0.00 0.00 55.36 53.22 1x64 s GLN 23 Cb -0.14 -1.65 0.01 0.00 -0.22 0.00 0.00 33.01 31.00 1x64 s GLN 23 CO -0.09 -3.45 0.74 2.89 -0.25 0.00 0.00 175.29 175.13 1x64 n ARG 24 N -4.54 1.04 -3.35 2.91 1.85 -1.26 -4.84 116.66 108.47 1x64 n ARG 24 Ca 0.15 -0.04 -0.30 0.00 -1.00 0.00 0.00 57.85 56.66 1x64 n ARG 24 Cb 0.60 -1.28 -0.04 0.00 -1.05 0.00 0.00 32.46 30.68 1x64 n ARG 24 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1x64 s MET 25 N -1.46 3.68 0.51 2.89 0.23 -1.26 -5.07 119.30 118.82 1x64 s MET 25 Ca 0.01 0.08 -0.21 0.00 -1.03 0.00 0.00 55.69 54.54 1x64 s MET 25 Cb 0.00 -2.65 -0.06 0.00 -1.53 0.00 0.00 34.83 30.59 1x64 s MET 25 CO 0.00 0.24 1.14 -1.25 -2.03 0.00 0.00 175.02 173.13 1x64 s PRO 26 N -3.34 3.50 -0.27 3.16 0.04 -1.26 -4.78 135.00 132.04 1x64 s PRO 26 Ca 0.45 1.67 -0.09 0.00 0.04 0.00 0.00 61.00 63.06 1x64 s PRO 26 Cb -0.11 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 1x64 s PRO 26 CO 0.28 -0.74 0.14 -1.17 0.04 0.00 0.00 177.00 175.54 1x64 s LEU 27 N -3.53 3.79 -0.00 -3.56 1.98 -1.26 -1.69 118.68 114.40 1x64 s LEU 27 Ca 0.70 -0.14 -0.36 0.00 -2.89 0.00 0.00 54.13 51.44 1x64 s LEU 27 Cb -0.25 -2.03 -0.14 0.00 0.66 0.00 0.00 46.19 44.42 1x64 s LEU 27 CO 0.29 -0.06 1.62 0.00 -1.89 0.00 0.00 176.35 176.32 1x64 n ASP 29 N 4.37 0.27 -0.11 0.00 8.00 -1.18 -0.25 116.55 127.65 1x64 n ASP 29 Ca 0.21 -1.18 -0.16 0.00 0.71 0.00 0.00 54.79 54.37 1x64 n ASP 29 Cb 0.23 -0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.27 1x64 n ASP 29 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1x64 n LYS 30 N -0.75 0.54 -0.27 -1.24 3.00 -1.26 -4.64 118.16 113.54 1x64 n LYS 30 Ca 0.21 0.30 0.07 0.00 -0.00 0.00 0.00 58.31 58.89 1x64 n LYS 30 Cb 0.14 -1.51 0.19 0.00 0.00 0.00 0.00 35.03 33.85 1x64 n LYS 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1x64 n GLY 32 N -0.25 -0.17 3.09 0.00 0.00 0.65 -4.90 105.19 103.61 1x64 n GLY 32 Ca 0.15 0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.99 1x64 n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x64 s SER 33 N -3.80 2.84 0.17 1.61 0.01 -1.24 -4.84 113.70 108.45 1x64 s SER 33 Ca 0.20 -0.54 -0.19 0.00 1.31 0.00 0.00 55.95 56.73 1x64 s SER 33 Cb -0.12 -1.30 -0.12 0.00 0.21 0.00 0.00 66.02 64.69 1x64 s SER 33 CO 0.85 0.01 0.33 0.61 0.41 0.00 0.00 173.24 175.45 1x64 n GLY 34 N 4.39 -1.39 3.33 3.44 0.00 -1.26 -3.31 105.19 110.39 1x64 n GLY 34 Ca -0.19 0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1x64 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x64 s ILE 35 N -0.81 3.08 -0.18 -0.61 1.01 -0.68 -4.84 121.20 118.18 1x64 s ILE 35 Ca 0.46 -0.63 -0.05 0.00 0.00 0.00 0.00 60.65 60.43 1x64 s ILE 35 Cb -0.64 -2.33 0.09 0.00 0.01 0.00 0.00 42.46 39.58 1x64 s ILE 35 CO 0.41 0.49 0.32 0.54 0.00 0.00 0.00 174.94 176.71 1x64 s VAL 36 N 0.83 -0.51 0.00 2.92 0.11 -1.26 -4.29 120.40 118.21 1x64 s VAL 36 Ca -0.03 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1x64 s VAL 36 Cb -0.15 -0.60 0.00 0.00 -1.53 0.00 0.00 36.38 34.10 1x64 s VAL 36 CO 0.01 0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.41 1x64 n GLY 37 N 5.36 3.10 3.45 6.54 0.00 -1.26 -5.01 105.19 117.37 1x64 n GLY 37 Ca -0.06 -1.06 -0.06 0.00 0.00 0.00 0.00 46.02 44.83 1x64 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x64 s ALA 38 N -0.23 -1.54 0.07 4.61 0.00 -1.26 -5.17 121.76 118.24 1x64 s ALA 38 Ca 0.00 1.94 0.01 0.00 0.00 0.00 0.00 51.96 53.91 1x64 s ALA 38 Cb 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 1x64 s ALA 38 CO 0.00 -0.63 -0.06 0.54 0.00 0.00 0.00 175.76 175.61 1x64 s VAL 39 N 2.25 0.49 -0.29 0.00 0.11 -1.26 -4.35 120.40 117.35 1x64 s VAL 39 Ca -0.06 -1.65 -0.01 0.00 -2.93 0.00 0.00 61.98 57.33 1x64 s VAL 39 Cb -0.10 -1.31 0.09 0.00 -1.53 0.00 0.00 36.38 33.54 1x64 s VAL 39 CO -0.16 -0.78 0.08 -0.69 -3.33 0.00 0.00 175.10 170.22 1x64 s VAL 40 N -3.08 0.85 -0.21 2.04 1.01 0.43 -4.81 120.40 116.62 1x64 s VAL 40 Ca 0.04 -1.27 -0.07 0.00 0.00 0.00 0.00 61.98 60.69 1x64 s VAL 40 Cb 0.02 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1x64 s VAL 40 CO -0.05 -0.58 0.05 -0.75 0.00 0.00 0.00 175.10 173.77 1x64 s LYS 41 N 1.64 3.78 0.00 2.72 2.20 -1.26 0.11 119.74 128.93 1x64 s LYS 41 Ca 0.07 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 1x64 s LYS 41 Cb -0.17 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 1x64 s LYS 41 CO -0.22 0.05 0.00 0.00 -0.36 0.00 0.00 175.35 174.82 1x64 n ALA 42 N 4.21 0.00 -0.72 3.13 0.00 -1.11 -4.97 120.51 121.05 1x64 n ALA 42 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1x64 n ALA 42 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1x64 n ALA 42 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1x64 n ARG 43 N -0.48 0.00 -0.01 0.00 0.63 -1.26 -4.94 116.66 110.61 1x64 n ARG 43 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1x64 n ARG 43 Cb 0.00 -0.13 -0.02 0.00 0.45 0.00 0.00 32.46 32.76 1x64 n ARG 43 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1x64 n ASP 44 N -1.76 4.49 -4.93 6.15 -0.08 -1.26 -5.05 116.55 114.11 1x64 n ASP 44 Ca 0.00 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 53.03 1x64 n ASP 44 Cb 0.00 0.85 0.02 0.00 2.34 0.00 0.00 41.12 44.34 1x64 n ASP 44 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1x64 s LYS 45 N -2.11 2.95 0.11 -0.67 1.02 -1.26 -5.11 119.74 114.68 1x64 s LYS 45 Ca -0.01 -0.23 0.09 0.00 0.02 0.00 0.00 55.97 55.84 1x64 s LYS 45 Cb 0.01 -2.39 -0.04 0.00 -0.52 0.00 0.00 37.83 34.89 1x64 s LYS 45 CO 0.09 -0.54 -0.23 0.71 -0.92 0.00 0.00 175.35 174.46 1x64 s TYR 46 N -2.81 1.93 -0.05 3.18 1.51 -1.26 -2.76 117.35 117.08 1x64 s TYR 46 Ca 0.52 -0.41 -0.10 0.00 -1.01 0.00 0.00 57.07 56.07 1x64 s TYR 46 Cb -0.10 -1.05 0.02 0.00 -0.11 0.00 0.00 41.96 40.71 1x64 s TYR 46 CO 0.42 0.24 0.25 1.03 -1.11 0.00 0.00 175.55 176.38 1x64 s ARG 47 N -1.96 0.44 1.01 -0.62 1.81 0.29 -3.12 118.95 116.80 1x64 s ARG 47 Ca 0.09 0.05 -0.12 0.00 -1.72 0.00 0.00 55.73 54.02 1x64 s ARG 47 Cb -0.10 0.20 0.14 0.00 -0.45 0.00 0.00 34.95 34.74 1x64 s ARG 47 CO 0.05 -0.09 0.77 0.72 -0.68 0.00 0.00 175.30 176.07 1x64 n HIS 48 N 2.17 -0.51 0.46 -0.53 8.25 -1.26 0.16 115.22 123.96 1x64 n HIS 48 Ca -0.17 0.21 0.09 0.00 -0.26 0.00 0.00 57.72 57.58 1x64 n HIS 48 Cb 0.57 -1.82 0.37 0.00 1.12 0.00 0.00 29.99 30.22 1x64 n HIS 48 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1x64 n PRO 49 N -3.41 0.07 -0.01 -0.41 -0.04 -1.26 -2.31 135.00 127.62 1x64 n PRO 49 Ca 0.07 0.31 -0.01 0.00 -0.04 0.00 0.00 63.50 63.84 1x64 n PRO 49 Cb 0.54 -1.63 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 1x64 n PRO 49 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1x64 n GLU 50 N -1.75 2.86 0.05 0.54 0.28 -1.26 -4.66 120.64 116.70 1x64 n GLU 50 Ca 0.03 -0.01 -0.06 0.00 -0.16 0.00 0.00 57.16 56.96 1x64 n GLU 50 Cb 0.19 -1.05 0.12 0.00 1.43 0.00 0.00 31.44 32.13 1x64 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x64 n PHE 52 N -3.96 1.23 -3.83 0.00 7.35 -0.98 -4.83 117.46 112.44 1x64 n PHE 52 Ca -0.02 0.21 -0.08 0.00 -0.76 0.00 0.00 57.45 56.80 1x64 n PHE 52 Cb 0.56 -2.55 0.00 0.00 0.35 0.00 0.00 39.48 37.85 1x64 n PHE 52 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1x64 s VAL 53 N 10.34 0.00 0.96 -2.13 -7.23 -1.26 -3.26 120.40 117.82 1x64 s VAL 53 Ca 1.11 -1.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.16 1x64 s VAL 53 Cb -0.61 -2.46 0.17 0.00 0.56 0.00 0.00 36.38 34.04 1x64 s VAL 53 CO 0.37 0.00 1.10 0.00 -0.31 0.00 0.00 175.10 176.25 1x64 n ALA 55 N -4.05 3.51 -0.05 0.00 0.00 -1.22 -2.89 120.51 115.80 1x64 n ALA 55 Ca 0.06 -0.52 -0.07 0.00 0.00 0.00 0.00 53.44 52.91 1x64 n ALA 55 Cb 0.57 -0.59 -0.05 0.00 0.00 0.00 0.00 19.45 19.38 1x64 n ALA 55 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1x64 n ASP 56 N -0.53 3.14 -0.00 0.00 -0.08 -1.26 -4.76 116.55 113.06 1x64 n ASP 56 Ca 0.06 -0.06 0.01 0.00 -1.51 0.00 0.00 54.79 53.29 1x64 n ASP 56 Cb 0.32 -0.14 -0.01 0.00 2.34 0.00 0.00 41.12 43.62 1x64 n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x64 n ASN 58 N -1.19 -4.06 -4.79 0.00 2.85 -1.14 -4.88 115.26 102.06 1x64 n ASN 58 Ca 0.00 -0.55 -0.39 0.00 -0.11 0.00 0.00 54.58 53.54 1x64 n ASN 58 Cb 0.04 -4.84 -0.06 0.00 1.24 0.00 0.00 39.78 36.16 1x64 n ASN 58 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1x64 s LEU 59 N -6.54 4.50 -0.41 1.20 0.20 -1.26 -4.38 118.68 111.98 1x64 s LEU 59 Ca 0.27 1.25 -0.28 0.00 0.69 0.00 0.00 54.13 56.06 1x64 s LEU 59 Cb -0.12 -2.92 -0.07 0.00 -0.43 0.00 0.00 46.19 42.65 1x64 s LEU 59 CO 0.69 0.22 2.35 0.59 -0.29 0.00 0.00 176.35 179.91 1x64 n ASN 60 N 2.03 2.54 0.19 3.68 4.13 -1.26 -1.22 115.26 125.34 1x64 n ASN 60 Ca -0.09 -0.17 0.12 0.00 1.68 0.00 0.00 54.58 56.12 1x64 n ASN 60 Cb 0.51 -1.52 0.14 0.00 -1.54 0.00 0.00 39.78 37.36 1x64 n ASN 60 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1x64 h LEU 61 N 17.23 0.00 -0.51 3.41 3.38 -1.86 -3.33 115.31 133.63 1x64 h LEU 61 Ca -0.29 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.72 1x64 h LEU 61 Cb 1.27 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.95 1x64 h LEU 61 CO 1.09 0.00 -0.30 1.17 0.09 0.00 0.00 178.44 180.49 1x64 n LYS 62 N -2.95 -0.22 0.04 1.13 3.00 -1.26 -1.37 118.16 116.53 1x64 n LYS 62 Ca 0.03 1.05 -0.20 0.00 -0.00 0.00 0.00 58.31 59.19 1x64 n LYS 62 Cb 0.53 -1.55 -0.12 0.00 0.00 0.00 0.00 35.03 33.88 1x64 n LYS 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 1x64 h GLN 63 N 0.00 0.48 -7.37 1.64 3.07 -1.97 -3.46 115.11 107.50 1x64 h GLN 63 Ca 0.08 -0.61 -0.41 0.00 0.09 0.00 0.00 58.65 57.80 1x64 h GLN 63 Cb 0.21 0.20 0.19 0.00 0.08 0.00 0.00 27.48 28.16 1x64 h GLN 63 CO -0.48 1.24 0.11 0.15 0.09 0.00 0.00 178.83 179.95 1x64 s LYS 64 N -2.98 -1.41 -0.55 0.06 1.02 -0.47 -4.95 119.74 110.46 1x64 s LYS 64 Ca -0.12 -0.08 -0.25 0.00 0.02 0.00 0.00 55.97 55.55 1x64 s LYS 64 Cb 0.04 -1.58 0.04 0.00 -0.52 0.00 0.00 37.83 35.81 1x64 s LYS 64 CO 0.87 -3.83 0.96 0.20 -0.92 0.00 0.00 175.35 172.63 1x64 s GLY 65 N -3.87 1.39 0.83 -3.33 0.00 -1.26 -4.81 107.32 96.27 1x64 s GLY 65 Ca 0.71 -1.19 -0.11 0.00 0.00 0.00 0.00 44.72 44.14 1x64 s GLY 65 CO 0.56 2.09 1.10 -2.52 0.00 0.00 0.00 173.10 174.33 1x64 s TYR 66 N 4.03 2.32 0.06 1.90 -0.85 -1.26 -3.44 117.35 120.10 1x64 s TYR 66 Ca 0.32 1.55 -0.03 0.00 -0.52 0.00 0.00 57.07 58.38 1x64 s TYR 66 Cb -0.12 -3.12 -0.03 0.00 0.38 0.00 0.00 41.96 39.07 1x64 s TYR 66 CO 0.20 -2.14 0.04 -0.06 -1.52 0.00 0.00 175.55 172.07 1x64 s PHE 67 N -2.85 0.37 -0.30 -3.49 0.40 -0.96 -4.93 117.98 106.22 1x64 s PHE 67 Ca 0.63 -0.84 0.01 0.00 -0.60 0.00 0.00 56.93 56.12 1x64 s PHE 67 Cb -0.19 -0.26 0.09 0.00 0.51 0.00 0.00 43.02 43.17 1x64 s PHE 67 CO 0.57 -0.41 0.06 -0.06 0.70 0.00 0.00 175.22 176.07 1x64 s PHE 68 N -3.60 2.45 -0.31 0.36 0.08 -1.26 -3.02 117.98 112.68 1x64 s PHE 68 Ca 0.04 -2.12 0.03 0.00 0.12 0.00 0.00 56.93 55.01 1x64 s PHE 68 Cb 0.05 -2.06 0.08 0.00 -0.57 0.00 0.00 43.02 40.53 1x64 s PHE 68 CO -0.09 -0.88 -0.01 0.08 -0.10 0.00 0.00 175.22 174.23 1x64 s VAL 69 N 1.36 2.27 -1.09 -0.44 1.01 0.61 -4.71 120.40 119.42 1x64 s VAL 69 Ca 0.07 -2.06 -0.07 0.00 0.00 0.00 0.00 61.98 59.92 1x64 s VAL 69 Cb -0.18 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.66 1x64 s VAL 69 CO -0.16 -0.38 0.93 -0.62 0.00 0.00 0.00 175.10 174.87 1x64 n GLU 70 N 4.33 -6.30 0.00 2.72 1.02 -1.26 -2.42 120.64 118.74 1x64 n GLU 70 Ca -0.03 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 1x64 n GLU 70 Cb 0.42 -5.20 0.00 0.00 -0.02 0.00 0.00 31.44 26.64 1x64 n GLU 70 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x64 n GLY 71 N -1.70 2.13 3.86 0.62 0.00 -1.26 -4.99 105.19 103.85 1x64 n GLY 71 Ca 0.01 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1x64 n GLY 71 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x64 s GLU 72 N 0.00 3.46 0.33 1.61 2.56 -1.01 -5.01 118.70 120.63 1x64 s GLU 72 Ca 0.00 0.82 0.07 0.00 0.00 0.00 0.00 54.97 55.86 1x64 s GLU 72 Cb 0.00 -2.06 -0.02 0.00 2.00 0.00 0.00 34.13 34.05 1x64 s GLU 72 CO 0.00 -0.68 0.41 -0.51 -0.56 0.00 0.00 175.26 173.92 1x64 s LEU 73 N -5.19 3.89 -0.01 2.70 1.43 -1.26 -0.28 118.68 119.96 1x64 s LEU 73 Ca 0.56 -0.26 -0.28 0.00 -1.03 0.00 0.00 54.13 53.12 1x64 s LEU 73 Cb -0.12 -2.61 0.10 0.00 0.03 0.00 0.00 46.19 43.59 1x64 s LEU 73 CO 0.53 -0.38 0.82 -0.31 0.23 0.00 0.00 176.35 177.23 1x64 s TYR 74 N -2.20 -0.44 0.78 0.29 2.02 -1.17 -3.37 117.35 113.27 1x64 s TYR 74 Ca 0.43 0.46 -0.12 0.00 -0.37 0.00 0.00 57.07 57.47 1x64 s TYR 74 Cb -0.08 0.51 0.06 0.00 -0.40 0.00 0.00 41.96 42.04 1x64 s TYR 74 CO 0.30 -0.58 1.11 0.00 -1.57 0.00 0.00 175.55 174.81 1x64 h GLU 76 N -1.00 0.67 0.07 0.00 4.81 -1.91 0.74 114.58 117.95 1x64 h GLU 76 Ca -0.47 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1x64 h GLU 76 Cb 1.28 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1x64 h GLU 76 CO 0.62 0.44 -0.03 1.15 -0.73 0.00 0.00 179.01 180.46 1x64 h THR 77 N 0.69 0.00 0.38 0.32 2.02 -1.92 -1.63 112.91 112.77 1x64 h THR 77 Ca 0.59 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.74 1x64 h THR 77 Cb 1.01 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1x64 h THR 77 CO -0.38 0.00 -0.33 0.45 0.37 0.00 0.00 175.52 175.62 1x64 h HIS 78 N -0.11 -0.90 -0.64 3.16 3.86 -1.88 -2.88 115.15 115.76 1x64 h HIS 78 Ca -0.01 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.29 1x64 h HIS 78 Cb 0.07 0.34 -0.11 0.00 1.06 0.00 0.00 27.41 28.77 1x64 h HIS 78 CO 0.16 -0.48 -0.45 0.00 0.86 0.00 0.00 177.93 178.02 1x64 h ALA 79 N -0.24 -0.33 -0.93 2.45 0.00 0.36 0.25 119.26 120.81 1x64 h ALA 79 Ca -0.03 0.12 0.27 0.00 0.00 0.00 0.00 54.91 55.27 1x64 h ALA 79 Cb 0.64 1.01 -0.14 0.00 0.00 0.00 0.00 17.79 19.30 1x64 h ALA 79 CO -0.04 -0.83 0.37 0.00 0.00 0.00 0.00 179.25 178.75 1x64 h ARG 80 N -0.20 0.26 -0.76 0.00 3.08 -1.13 0.61 114.38 116.25 1x64 h ARG 80 Ca 0.19 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 1x64 h ARG 80 Cb 0.56 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1x64 h ARG 80 CO -0.73 0.17 0.30 0.00 -1.07 0.00 0.00 179.97 178.65 1x64 h ALA 81 N 1.80 1.09 0.32 0.04 0.00 -0.33 0.76 119.26 122.94 1x64 h ALA 81 Ca 0.62 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1x64 h ALA 81 Cb 1.32 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1x64 h ALA 81 CO -0.63 0.65 -0.15 0.00 0.00 0.00 0.00 179.25 179.11 1x64 h ARG 82 N 1.11 -0.41 -0.67 0.00 3.08 0.79 -3.25 114.38 115.03 1x64 h ARG 82 Ca 0.25 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1x64 h ARG 82 Cb 0.21 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1x64 h ARG 82 CO -0.02 -0.27 0.00 -2.37 -1.07 0.00 0.00 179.97 176.23 1x64 n THR 83 N -4.71 0.23 -0.23 2.04 5.66 0.65 -4.43 114.28 113.49 1x64 n THR 83 Ca -0.05 -0.14 0.15 0.00 -3.05 0.00 0.00 64.05 60.96 1x64 n THR 83 Cb 0.17 -0.30 0.28 0.00 -1.55 0.00 0.00 70.33 68.93 1x64 n THR 83 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1x64 n SER 84 N -0.04 0.04 -4.12 1.09 3.41 0.26 -1.96 113.62 112.30 1x64 n SER 84 Ca 0.03 1.17 -0.37 0.00 -0.26 0.00 0.00 58.87 59.44 1x64 n SER 84 Cb 0.26 -0.48 -0.07 0.00 -0.26 0.00 0.00 64.21 63.66 1x64 n SER 84 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x64 s GLY 85 N -4.11 2.93 0.00 5.00 0.00 -1.26 -4.88 107.32 105.00 1x64 s GLY 85 Ca -0.08 -3.68 0.15 0.00 0.00 0.00 0.00 44.72 41.11 1x64 s GLY 85 CO 0.54 1.18 1.37 -1.55 0.00 0.00 0.00 173.10 174.64 1x64 n PRO 86 N 2.67 0.37 -3.69 2.90 -0.04 -0.83 -4.85 135.00 131.54 1x64 n PRO 86 Ca 0.18 0.06 -0.27 0.00 -0.04 0.00 0.00 63.50 63.43 1x64 n PRO 86 Cb 0.38 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.37 1x64 n PRO 86 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x64 n SER 87 N -1.12 -5.31 0.20 3.54 7.64 -1.26 -4.90 113.62 112.40 1x64 n SER 87 Ca 0.10 -0.63 -0.13 0.00 1.01 0.00 0.00 58.87 59.22 1x64 n SER 87 Cb 0.08 -4.23 -0.07 0.00 -1.01 0.00 0.00 64.21 58.98 1x64 n SER 87 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1x64 h SER 88 N -2.08 -0.46 0.00 6.43 0.87 -1.99 -3.57 113.55 112.76 1x64 h SER 88 Ca -0.56 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 59.88 1x64 h SER 88 Cb 1.37 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.44 1x64 h SER 88 CO 0.62 -0.06 0.00 0.61 -0.53 0.00 0.00 176.83 177.47