#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 -0.01 -0.01 1.61 0.01 -1.26 -5.17 113.70 108.87 1x64 s SER 2 Ca 0.00 -0.24 -0.28 0.00 1.31 0.00 0.00 55.95 56.73 1x64 s SER 2 Cb 0.00 0.27 0.09 0.00 0.21 0.00 0.00 66.02 66.60 1x64 s SER 2 CO 0.00 -0.50 0.81 -0.55 0.41 0.00 0.00 173.24 173.41 1x64 s SER 3 N -1.78 -0.47 0.19 2.44 0.15 -1.26 -5.19 113.70 107.79 1x64 s SER 3 Ca -0.09 0.22 -0.06 0.00 0.70 0.00 0.00 55.95 56.71 1x64 s SER 3 Cb -0.03 0.44 -0.02 0.00 -1.71 0.00 0.00 66.02 64.70 1x64 s SER 3 CO -0.01 -0.64 0.26 -0.83 1.20 0.00 0.00 173.24 173.22 1x64 s GLY 4 N -2.02 0.87 -0.23 9.45 0.00 -1.26 -5.15 107.32 108.98 1x64 s GLY 4 Ca -0.00 -1.22 -0.03 0.00 0.00 0.00 0.00 44.72 43.47 1x64 s GLY 4 CO -0.04 -1.03 0.36 -0.45 0.00 0.00 0.00 173.10 171.94 1x64 s SER 5 N -3.05 0.32 0.53 1.64 0.15 -1.26 -5.16 113.70 106.87 1x64 s SER 5 Ca 0.26 0.27 0.05 0.00 0.70 0.00 0.00 55.95 57.23 1x64 s SER 5 Cb 0.04 1.04 0.02 0.00 -1.71 0.00 0.00 66.02 65.41 1x64 s SER 5 CO 0.06 -0.29 0.33 -0.94 1.20 0.00 0.00 173.24 173.60 1x64 s SER 6 N 2.52 4.56 -0.31 5.45 1.04 -1.26 -5.13 113.70 120.57 1x64 s SER 6 Ca 0.10 -1.28 -0.07 0.00 0.48 0.00 0.00 55.95 55.18 1x64 s SER 6 Cb -0.15 0.36 0.19 0.00 0.10 0.00 0.00 66.02 66.51 1x64 s SER 6 CO -0.15 -1.03 0.94 -0.83 0.98 0.00 0.00 173.24 173.16 1x64 s GLY 7 N -4.20 -1.12 -0.19 7.32 0.00 -1.26 -5.13 107.32 102.73 1x64 s GLY 7 Ca 0.31 1.66 -0.05 0.00 0.00 0.00 0.00 44.72 46.64 1x64 s GLY 7 CO 0.19 4.05 0.09 0.14 0.00 0.00 0.00 173.10 177.57 1x64 s VAL 8 N 2.68 -0.02 0.25 1.40 1.01 -1.26 -5.14 120.40 119.32 1x64 s VAL 8 Ca 0.22 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.94 1x64 s VAL 8 Cb -0.02 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 1x64 s VAL 8 CO -0.21 -0.35 -0.03 -0.60 0.00 0.00 0.00 175.10 173.91 1x64 s ARG 9 N 2.10 1.41 -0.01 2.72 3.52 -1.26 -5.17 118.95 122.26 1x64 s ARG 9 Ca 0.03 -1.71 -0.12 0.00 -0.13 0.00 0.00 55.73 53.80 1x64 s ARG 9 Cb -0.16 -0.82 0.01 0.00 -1.56 0.00 0.00 34.95 32.42 1x64 s ARG 9 CO -0.13 -0.04 0.24 0.00 -0.81 0.00 0.00 175.30 174.56 1x64 s ALA 10 N -3.26 -0.60 0.99 6.12 0.00 -1.26 -5.17 121.76 118.58 1x64 s ALA 10 Ca 0.28 0.16 -0.12 0.00 0.00 0.00 0.00 51.96 52.28 1x64 s ALA 10 Cb 0.05 0.07 0.18 0.00 0.00 0.00 0.00 23.12 23.42 1x64 s ALA 10 CO 0.10 -0.24 1.09 -1.25 0.00 0.00 0.00 175.76 175.46 1x64 s PRO 11 N -1.29 0.48 0.09 0.00 0.04 -1.26 -5.09 135.00 127.97 1x64 s PRO 11 Ca -0.14 0.54 -0.08 0.00 0.04 0.00 0.00 61.00 61.36 1x64 s PRO 11 Cb -0.06 -1.74 -0.00 0.00 0.04 0.00 0.00 34.50 32.73 1x64 s PRO 11 CO 0.03 -2.70 0.18 0.14 0.04 0.00 0.00 177.00 174.69 1x64 s VAL 12 N -2.96 0.15 -0.18 -0.36 -7.23 -1.26 -5.15 120.40 103.40 1x64 s VAL 12 Ca 0.65 -1.23 -0.00 0.00 -1.81 0.00 0.00 61.98 59.59 1x64 s VAL 12 Cb -0.18 -1.37 0.04 0.00 0.56 0.00 0.00 36.38 35.43 1x64 s VAL 12 CO 0.57 -0.66 -0.06 0.28 -0.31 0.00 0.00 175.10 174.92 1x64 s THR 13 N -3.87 1.26 -0.42 5.32 -1.32 -1.26 -5.10 115.64 110.25 1x64 s THR 13 Ca 0.06 -0.75 -0.23 0.00 -1.21 0.00 0.00 61.69 59.55 1x64 s THR 13 Cb 0.05 -1.42 0.02 0.00 -1.51 0.00 0.00 72.50 69.64 1x64 s THR 13 CO -0.11 0.12 0.81 -0.54 -2.21 0.00 0.00 174.62 172.69 1x64 s LYS 14 N 1.56 3.56 -0.11 7.08 1.02 -1.26 -5.04 119.74 126.56 1x64 s LYS 14 Ca -0.00 0.10 -0.05 0.00 0.02 0.00 0.00 55.97 56.03 1x64 s LYS 14 Cb -0.16 -3.89 -0.04 0.00 -0.52 0.00 0.00 37.83 33.23 1x64 s LYS 14 CO -0.08 -1.03 0.09 0.08 -0.92 0.00 0.00 175.35 173.50 1x64 s VAL 15 N 3.29 5.12 0.08 3.17 1.01 -1.26 -5.03 120.40 126.78 1x64 s VAL 15 Ca 0.32 0.06 -0.25 0.00 0.00 0.00 0.00 61.98 62.10 1x64 s VAL 15 Cb -0.12 -3.21 -0.10 0.00 0.00 0.00 0.00 36.38 32.95 1x64 s VAL 15 CO 0.21 0.62 1.41 -0.74 0.00 0.00 0.00 175.10 176.59 1x64 h HIS 16 N 5.04 -1.15 0.00 5.22 2.76 -2.05 -3.48 115.15 121.48 1x64 h HIS 16 Ca -0.54 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 57.67 1x64 h HIS 16 Cb 1.22 0.50 0.00 0.00 1.55 0.00 0.00 27.41 30.68 1x64 h HIS 16 CO 0.72 -0.43 0.00 0.41 -1.30 0.00 0.00 177.93 177.33 1x64 n GLY 17 N -1.34 -1.11 2.65 5.26 0.00 -1.26 -5.01 105.19 104.38 1x64 n GLY 17 Ca -0.06 0.38 -0.03 0.00 0.00 0.00 0.00 46.02 46.31 1x64 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x64 n GLY 18 N 0.00 -1.94 3.49 -0.02 0.00 -1.26 -5.12 105.19 100.33 1x64 n GLY 18 Ca 0.00 1.07 -0.43 0.00 0.00 0.00 0.00 46.02 46.66 1x64 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x64 s ALA 19 N 0.00 3.40 0.00 4.61 0.00 -1.26 -4.99 121.76 123.52 1x64 s ALA 19 Ca 0.22 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1x64 s ALA 19 Cb 0.26 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 20.21 1x64 s ALA 19 CO -0.16 -1.72 0.33 0.41 0.00 0.00 0.00 175.76 174.62 1x64 n GLY 20 N 5.10 -0.89 3.51 0.00 0.00 -1.26 -4.84 105.19 106.82 1x64 n GLY 20 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1x64 n GLY 20 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x64 s SER 21 N -1.80 4.82 0.43 1.61 0.15 -1.26 -5.11 113.70 112.53 1x64 s SER 21 Ca 0.00 -0.11 0.03 0.00 0.70 0.00 0.00 55.95 56.57 1x64 s SER 21 Cb 0.00 -1.74 -0.03 0.00 -1.71 0.00 0.00 66.02 62.54 1x64 s SER 21 CO 0.00 0.19 0.08 0.00 1.20 0.00 0.00 173.24 174.71 1x64 s ALA 22 N 0.25 3.20 0.33 5.45 0.00 -1.26 -5.14 121.76 124.58 1x64 s ALA 22 Ca -0.03 -1.17 -0.22 0.00 0.00 0.00 0.00 51.96 50.54 1x64 s ALA 22 Cb -0.14 0.50 -0.10 0.00 0.00 0.00 0.00 23.12 23.39 1x64 s ALA 22 CO 0.03 -0.23 0.87 -0.65 0.00 0.00 0.00 175.76 175.78 1x64 s GLN 23 N -3.78 4.34 -0.19 0.00 1.11 -1.26 -5.02 119.66 114.85 1x64 s GLN 23 Ca 0.21 1.09 -0.29 0.00 0.01 0.00 0.00 55.36 56.38 1x64 s GLN 23 Cb 0.04 -2.59 0.00 0.00 -1.01 0.00 0.00 33.01 29.45 1x64 s GLN 23 CO 0.12 0.20 1.03 -0.98 0.01 0.00 0.00 175.29 175.66 1x64 s ARG 24 N -2.49 4.31 0.02 2.91 1.70 -1.26 -5.02 118.95 119.12 1x64 s ARG 24 Ca 0.53 1.36 -0.16 0.00 -0.47 0.00 0.00 55.73 56.98 1x64 s ARG 24 Cb -0.14 -3.61 0.03 0.00 -0.57 0.00 0.00 34.95 30.66 1x64 s ARG 24 CO 0.19 -0.53 0.36 0.00 -1.08 0.00 0.00 175.30 174.24 1x64 s MET 25 N 2.84 0.83 0.53 3.89 0.23 -1.26 -5.13 119.30 121.22 1x64 s MET 25 Ca 0.45 -0.34 -0.20 0.00 -1.03 0.00 0.00 55.69 54.57 1x64 s MET 25 Cb -0.16 0.37 -0.06 0.00 -1.53 0.00 0.00 34.83 33.44 1x64 s MET 25 CO 0.10 -0.26 1.14 -1.25 -2.03 0.00 0.00 175.02 172.71 1x64 s PRO 26 N -2.15 3.44 -0.30 3.16 0.04 -1.26 -4.80 135.00 133.13 1x64 s PRO 26 Ca -0.08 1.64 -0.11 0.00 0.04 0.00 0.00 61.00 62.50 1x64 s PRO 26 Cb -0.02 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1x64 s PRO 26 CO -0.00 -0.79 0.18 -1.17 0.04 0.00 0.00 177.00 175.26 1x64 s LEU 27 N -3.64 4.09 -0.02 -3.56 1.98 -1.26 -2.18 118.68 114.09 1x64 s LEU 27 Ca 0.71 -0.25 -0.36 0.00 -2.89 0.00 0.00 54.13 51.34 1x64 s LEU 27 Cb -0.25 -2.07 -0.14 0.00 0.66 0.00 0.00 46.19 44.39 1x64 s LEU 27 CO 0.28 -0.13 1.64 0.00 -1.89 0.00 0.00 176.35 176.26 1x64 n ASP 29 N 4.53 0.35 -0.11 0.00 2.03 -1.24 -0.17 116.55 121.94 1x64 n ASP 29 Ca 0.21 -1.26 -0.19 0.00 0.52 0.00 0.00 54.79 54.06 1x64 n ASP 29 Cb 0.23 -0.01 -0.07 0.00 -0.72 0.00 0.00 41.12 40.55 1x64 n ASP 29 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1x64 n LYS 30 N -0.66 0.55 -0.16 -0.67 3.00 -1.26 -4.65 118.16 114.32 1x64 n LYS 30 Ca 0.19 0.31 0.07 0.00 -0.00 0.00 0.00 58.31 58.88 1x64 n LYS 30 Cb 0.15 -1.52 0.14 0.00 0.00 0.00 0.00 35.03 33.80 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 -0.80 -0.12 3.09 0.00 0.00 0.76 -4.89 105.19 103.23 1x64 n GLY 32 Ca 0.13 0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.92 2.85 0.10 1.61 0.01 -1.25 -4.85 113.70 108.25 1x64 s SER 33 Ca 0.07 -0.54 -0.22 0.00 1.31 0.00 0.00 55.95 56.57 1x64 s SER 33 Cb -0.04 -1.30 -0.13 0.00 0.21 0.00 0.00 66.02 64.76 1x64 s SER 33 CO 0.77 0.01 0.48 0.61 0.41 0.00 0.00 173.24 175.53 1x64 n GLY 34 N 4.43 -0.90 3.50 3.44 0.00 -1.26 -3.55 105.19 110.85 1x64 n GLY 34 Ca -0.19 0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.48 4.19 -0.25 -0.61 1.01 -0.92 -4.88 121.20 119.26 1x64 s ILE 35 Ca 0.51 -0.24 -0.06 0.00 0.00 0.00 0.00 60.65 60.86 1x64 s ILE 35 Cb -0.72 -2.89 0.13 0.00 0.01 0.00 0.00 42.46 38.98 1x64 s ILE 35 CO 0.39 0.44 0.50 0.54 0.00 0.00 0.00 174.94 176.82 1x64 s VAL 36 N 0.78 -0.79 0.00 2.92 0.11 -1.26 -4.42 120.40 117.74 1x64 s VAL 36 Ca 0.01 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 1x64 s VAL 36 Cb -0.14 -0.84 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 1x64 s VAL 36 CO 0.02 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.41 1x64 n GLY 37 N 5.41 3.43 3.28 6.54 0.00 -1.26 -5.01 105.19 117.58 1x64 n GLY 37 Ca -0.07 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.00 -1.14 0.12 4.61 0.00 -1.26 -5.17 121.76 118.92 1x64 s ALA 38 Ca 0.00 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1x64 s ALA 38 Cb 0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 1x64 s ALA 38 CO 0.00 -0.56 -0.01 0.54 0.00 0.00 0.00 175.76 175.73 1x64 s VAL 39 N 2.14 0.42 -0.28 0.00 0.11 -1.26 -4.29 120.40 117.23 1x64 s VAL 39 Ca -0.05 -1.91 -0.02 0.00 -2.93 0.00 0.00 61.98 57.07 1x64 s VAL 39 Cb -0.10 -1.86 0.09 0.00 -1.53 0.00 0.00 36.38 32.98 1x64 s VAL 39 CO -0.13 -0.68 0.09 -0.69 -3.33 0.00 0.00 175.10 170.36 1x64 s VAL 40 N -3.82 0.55 -0.21 2.04 1.01 0.35 -4.79 120.40 115.53 1x64 s VAL 40 Ca 0.17 -1.06 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 1x64 s VAL 40 Cb 0.07 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 1x64 s VAL 40 CO -0.02 -0.60 0.04 -0.75 0.00 0.00 0.00 175.10 173.77 1x64 s LYS 41 N 1.80 3.73 0.00 2.72 2.20 -1.26 -0.07 119.74 128.86 1x64 s LYS 41 Ca 0.07 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.23 1x64 s LYS 41 Cb -0.17 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 32.97 1x64 s LYS 41 CO -0.25 0.04 0.00 0.00 -0.36 0.00 0.00 175.35 174.78 1x64 n ALA 42 N 4.22 0.00 -0.85 3.13 0.00 -1.18 -4.95 120.51 120.88 1x64 n ALA 42 Ca -0.17 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 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 -0.53 0.00 -0.01 0.00 0.63 -1.26 -4.94 116.66 110.55 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 -0.07 -0.02 0.00 0.45 0.00 0.00 32.46 32.82 1x64 n ARG 43 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1x64 n ASP 44 N -1.64 4.51 -4.91 6.15 5.68 -1.26 -5.05 116.55 120.02 1x64 n ASP 44 Ca 0.00 0.00 -0.27 0.00 -0.50 0.00 0.00 54.79 54.02 1x64 n ASP 44 Cb 0.00 0.81 0.05 0.00 -1.14 0.00 0.00 41.12 40.84 1x64 n ASP 44 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1x64 s LYS 45 N -2.10 2.62 0.05 0.11 1.02 -1.26 -5.10 119.74 115.08 1x64 s LYS 45 Ca -0.01 -0.00 0.05 0.00 0.02 0.00 0.00 55.97 56.03 1x64 s LYS 45 Cb 0.01 -2.18 -0.02 0.00 -0.52 0.00 0.00 37.83 35.12 1x64 s LYS 45 CO 0.08 -0.98 -0.15 0.71 -0.92 0.00 0.00 175.35 174.09 1x64 s TYR 46 N -3.17 1.32 -0.06 3.18 1.51 -1.26 -3.10 117.35 115.78 1x64 s TYR 46 Ca 0.57 -0.37 -0.09 0.00 -1.01 0.00 0.00 57.07 56.17 1x64 s TYR 46 Cb -0.11 -0.78 0.02 0.00 -0.11 0.00 0.00 41.96 40.98 1x64 s TYR 46 CO 0.46 0.05 0.24 1.03 -1.11 0.00 0.00 175.55 176.22 1x64 s ARG 47 N -1.24 0.39 0.99 -0.62 1.81 0.90 -3.70 118.95 117.49 1x64 s ARG 47 Ca 0.02 0.11 -0.13 0.00 -1.72 0.00 0.00 55.73 54.02 1x64 s ARG 47 Cb -0.08 0.18 0.11 0.00 -0.45 0.00 0.00 34.95 34.70 1x64 s ARG 47 CO 0.02 -0.07 0.62 0.72 -0.68 0.00 0.00 175.30 175.90 1x64 n HIS 48 N 2.39 -0.79 0.48 -0.53 8.25 -1.26 0.13 115.22 123.88 1x64 n HIS 48 Ca -0.16 0.22 0.08 0.00 -0.26 0.00 0.00 57.72 57.60 1x64 n HIS 48 Cb 0.57 -1.80 0.33 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 -2.84 0.03 -0.01 -0.41 -0.04 -1.26 -2.10 135.00 128.38 1x64 n PRO 49 Ca 0.07 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 1x64 n PRO 49 Cb 0.55 -1.56 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.62 1.87 0.04 0.54 0.28 -1.26 -4.68 120.64 115.82 1x64 n GLU 50 Ca 0.03 -0.01 -0.15 0.00 -0.16 0.00 0.00 57.16 56.87 1x64 n GLU 50 Cb 0.18 -1.05 -0.05 0.00 1.43 0.00 0.00 31.44 31.94 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 -3.82 1.21 -3.83 0.00 7.35 -0.89 -4.83 117.46 112.65 1x64 n PHE 52 Ca -0.07 0.22 -0.07 0.00 -0.76 0.00 0.00 57.45 56.77 1x64 n PHE 52 Cb 0.81 -2.55 0.00 0.00 0.35 0.00 0.00 39.48 38.09 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 1.01 -2.13 -7.23 -1.26 -3.50 120.40 117.64 1x64 s VAL 53 Ca 1.12 -0.91 -0.12 0.00 -1.81 0.00 0.00 61.98 60.25 1x64 s VAL 53 Cb -0.62 -2.47 0.20 0.00 0.56 0.00 0.00 36.38 34.05 1x64 s VAL 53 CO 0.37 0.00 1.08 0.00 -0.31 0.00 0.00 175.10 176.24 1x64 n ALA 55 N -4.27 3.74 -0.08 0.00 0.00 -1.22 -2.90 120.51 115.79 1x64 n ALA 55 Ca 0.05 -0.43 -0.11 0.00 0.00 0.00 0.00 53.44 52.95 1x64 n ALA 55 Cb 0.56 -0.53 -0.08 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.10 2.58 -0.00 0.00 -0.08 -1.26 -4.73 116.55 111.96 1x64 n ASP 56 Ca 0.03 -0.08 0.01 0.00 -1.51 0.00 0.00 54.79 53.25 1x64 n ASP 56 Cb 0.25 -0.12 -0.01 0.00 2.34 0.00 0.00 41.12 43.57 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 -1.34 -5.59 -4.86 0.00 2.85 -1.14 -4.90 115.26 100.28 1x64 n ASN 58 Ca -0.00 -0.45 -0.32 0.00 -0.11 0.00 0.00 54.58 53.71 1x64 n ASN 58 Cb 0.05 -4.24 -0.05 0.00 1.24 0.00 0.00 39.78 36.77 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 -6.20 4.01 -0.10 1.20 2.96 -1.26 -4.42 118.68 114.87 1x64 s LEU 59 Ca 0.48 1.19 -0.29 0.00 -0.22 0.00 0.00 54.13 55.29 1x64 s LEU 59 Cb -0.21 -4.01 -0.06 0.00 0.50 0.00 0.00 46.19 42.41 1x64 s LEU 59 CO 0.60 -0.24 1.82 0.20 -1.32 0.00 0.00 176.35 177.41 1x64 s ASN 60 N -2.53 6.33 -0.00 3.68 -0.87 -1.26 -0.94 114.94 119.35 1x64 s ASN 60 Ca 0.52 2.12 0.19 0.00 -1.57 0.00 0.00 52.86 54.12 1x64 s ASN 60 Cb -0.10 -2.53 -0.21 0.00 -0.02 0.00 0.00 41.25 38.39 1x64 s ASN 60 CO 0.22 -1.22 0.81 0.18 -2.57 0.00 0.00 177.10 174.51 1x64 n LEU 61 N 8.35 0.89 -0.01 0.60 4.77 -1.23 -4.30 117.00 126.07 1x64 n LEU 61 Ca 0.20 -0.49 -0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1x64 n LEU 61 Cb 0.43 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1x64 n LEU 61 CO 0.65 0.22 0.38 1.17 -1.33 0.00 0.00 177.39 178.48 1x64 n LYS 62 N -1.47 -0.02 0.08 3.23 3.00 -1.26 -2.45 118.16 119.28 1x64 n LYS 62 Ca 0.03 0.78 -0.23 0.00 -0.00 0.00 0.00 58.31 58.90 1x64 n LYS 62 Cb 0.30 -1.17 -0.15 0.00 0.00 0.00 0.00 35.03 34.01 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 0.40 -6.97 1.64 -0.00 -1.98 -3.47 115.11 104.73 1x64 h GLN 63 Ca 0.01 -0.69 -0.54 0.00 -0.00 0.00 0.00 58.65 57.43 1x64 h GLN 63 Cb 0.01 0.26 0.11 0.00 -0.00 0.00 0.00 27.48 27.86 1x64 h GLN 63 CO -0.03 1.33 0.69 0.15 -0.00 0.00 0.00 178.83 180.96 1x64 s LYS 64 N -2.56 3.82 -0.41 0.06 1.02 -1.03 -4.82 119.74 115.83 1x64 s LYS 64 Ca -0.15 2.36 -0.35 0.00 0.02 0.00 0.00 55.97 57.85 1x64 s LYS 64 Cb 0.05 -2.72 -0.12 0.00 -0.52 0.00 0.00 37.83 34.51 1x64 s LYS 64 CO 0.86 -0.69 2.23 0.41 -0.92 0.00 0.00 175.35 177.25 1x64 n GLY 65 N 0.59 0.35 3.87 -3.33 0.00 -1.26 -4.67 105.19 100.74 1x64 n GLY 65 Ca 0.04 0.95 -0.31 0.00 0.00 0.00 0.00 46.02 46.70 1x64 n GLY 65 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x64 s TYR 66 N 7.64 3.58 0.06 1.61 -0.85 -1.26 -3.40 117.35 124.73 1x64 s TYR 66 Ca 1.11 1.29 0.01 0.00 -0.52 0.00 0.00 57.07 58.96 1x64 s TYR 66 Cb -0.89 -2.75 -0.03 0.00 0.38 0.00 0.00 41.96 38.66 1x64 s TYR 66 CO 0.49 -0.75 -0.05 -0.06 -1.52 0.00 0.00 175.55 173.65 1x64 s PHE 67 N -3.18 0.64 -0.31 -3.49 0.40 -0.92 -4.92 117.98 106.21 1x64 s PHE 67 Ca 0.55 -0.79 0.01 0.00 -0.60 0.00 0.00 56.93 56.11 1x64 s PHE 67 Cb -0.11 -0.40 0.09 0.00 0.51 0.00 0.00 43.02 43.11 1x64 s PHE 67 CO 0.54 -0.20 0.05 -0.06 0.70 0.00 0.00 175.22 176.25 1x64 s PHE 68 N -2.79 2.66 -0.28 0.36 0.08 -1.26 -2.67 117.98 114.09 1x64 s PHE 68 Ca 0.01 -2.24 0.02 0.00 0.12 0.00 0.00 56.93 54.84 1x64 s PHE 68 Cb -0.00 -2.17 0.07 0.00 -0.57 0.00 0.00 43.02 40.34 1x64 s PHE 68 CO -0.04 -0.88 -0.07 0.08 -0.10 0.00 0.00 175.22 174.21 1x64 s VAL 69 N 1.29 2.30 -1.28 -0.44 1.01 0.54 -4.69 120.40 119.14 1x64 s VAL 69 Ca 0.07 -1.73 -0.06 0.00 0.00 0.00 0.00 61.98 60.27 1x64 s VAL 69 Cb -0.18 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.79 1x64 s VAL 69 CO -0.15 -0.14 0.75 -0.62 0.00 0.00 0.00 175.10 174.94 1x64 n GLU 70 N 4.43 -5.42 0.00 2.72 -0.58 -1.26 -2.14 120.64 118.39 1x64 n GLU 70 Ca -0.11 0.76 0.00 0.00 -0.42 0.00 0.00 57.16 57.39 1x64 n GLU 70 Cb 0.42 -5.41 0.00 0.00 -0.57 0.00 0.00 31.44 25.88 1x64 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x64 n GLY 71 N -1.59 2.37 3.84 0.62 0.00 -1.26 -4.99 105.19 104.17 1x64 n GLY 71 Ca -0.05 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 4.04 0.43 1.61 2.56 -0.91 -5.01 118.70 121.42 1x64 s GLU 72 Ca 0.00 0.98 -0.01 0.00 0.00 0.00 0.00 54.97 55.94 1x64 s GLU 72 Cb 0.00 -2.17 -0.01 0.00 2.00 0.00 0.00 34.13 33.94 1x64 s GLU 72 CO 0.00 -0.17 0.66 -0.51 -0.56 0.00 0.00 175.26 174.69 1x64 s LEU 73 N -3.73 3.72 0.01 2.70 1.43 -1.26 -0.34 118.68 121.21 1x64 s LEU 73 Ca 0.59 0.41 -0.28 0.00 -1.03 0.00 0.00 54.13 53.83 1x64 s LEU 73 Cb -0.10 -3.29 0.09 0.00 0.03 0.00 0.00 46.19 42.92 1x64 s LEU 73 CO 0.25 -0.60 0.75 -0.31 0.23 0.00 0.00 176.35 176.66 1x64 s TYR 74 N -2.54 -0.51 0.45 0.29 2.02 -1.09 -3.45 117.35 112.53 1x64 s TYR 74 Ca 0.46 0.60 -0.19 0.00 -0.37 0.00 0.00 57.07 57.57 1x64 s TYR 74 Cb -0.10 0.49 -0.10 0.00 -0.40 0.00 0.00 41.96 41.86 1x64 s TYR 74 CO 0.38 -0.63 0.94 0.00 -1.57 0.00 0.00 175.55 174.67 1x64 n GLU 76 N -0.96 -0.06 0.00 0.00 2.13 -1.22 0.77 120.64 121.30 1x64 n GLU 76 Ca 0.06 1.32 0.00 0.00 0.66 0.00 0.00 57.16 59.21 1x64 n GLU 76 Cb 0.54 -2.38 0.00 0.00 0.27 0.00 0.00 31.44 29.87 1x64 n GLU 76 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1x64 n THR 77 N -5.17 0.00 0.26 6.31 -1.04 -1.26 -1.30 114.28 112.09 1x64 n THR 77 Ca 0.36 1.32 -0.16 0.00 -2.04 0.00 0.00 64.05 63.53 1x64 n THR 77 Cb 1.23 -2.30 -0.08 0.00 -1.82 0.00 0.00 70.33 67.36 1x64 n THR 77 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 1x64 h HIS 78 N 0.00 -0.86 -0.63 -1.42 3.86 -1.62 -2.97 115.15 111.51 1x64 h HIS 78 Ca 0.00 -0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.30 1x64 h HIS 78 Cb 0.00 0.32 -0.11 0.00 1.06 0.00 0.00 27.41 28.68 1x64 h HIS 78 CO 0.18 -0.48 -0.45 0.00 0.86 0.00 0.00 177.93 178.04 1x64 h ALA 79 N -0.29 -0.34 -0.99 2.45 0.00 0.23 0.32 119.26 120.63 1x64 h ALA 79 Ca -0.04 0.11 0.32 0.00 0.00 0.00 0.00 54.91 55.30 1x64 h ALA 79 Cb 0.64 1.01 -0.15 0.00 0.00 0.00 0.00 17.79 19.29 1x64 h ALA 79 CO 0.01 -0.84 0.54 0.00 0.00 0.00 0.00 179.25 178.96 1x64 h ARG 80 N -0.21 0.29 -0.10 0.00 3.08 -1.06 1.08 114.38 117.46 1x64 h ARG 80 Ca 0.18 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 60.08 1x64 h ARG 80 Cb 0.56 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1x64 h ARG 80 CO -0.72 0.19 -0.54 0.00 -1.07 0.00 0.00 179.97 177.83 1x64 h ALA 81 N 1.86 0.90 0.18 0.04 0.00 -0.26 -1.91 119.26 120.07 1x64 h ALA 81 Ca 0.73 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1x64 h ALA 81 Cb 1.67 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1x64 h ALA 81 CO -0.62 0.68 -0.09 0.00 0.00 0.00 0.00 179.25 179.23 1x64 h ARG 82 N 0.23 -0.24 -0.55 0.00 3.08 0.22 -3.29 114.38 113.82 1x64 h ARG 82 Ca 0.00 0.02 0.16 0.00 0.07 0.00 0.00 59.98 60.23 1x64 h ARG 82 Cb 1.02 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 1x64 h ARG 82 CO 0.09 -0.16 0.42 0.00 -1.07 0.00 0.00 179.97 179.25 1x64 h THR 83 N -0.76 0.65 -4.50 2.04 1.03 -0.76 -3.45 112.91 107.18 1x64 h THR 83 Ca -0.03 0.00 -0.28 0.00 -0.01 0.00 0.00 66.41 66.10 1x64 h THR 83 Cb 0.19 0.70 -0.03 0.00 -1.07 0.00 0.00 68.15 67.94 1x64 h THR 83 CO 0.04 0.00 -0.38 -0.24 -0.01 0.00 0.00 175.52 174.93 1x64 n SER 84 N -4.26 -3.68 -0.02 0.00 2.88 -0.72 -4.85 113.62 102.97 1x64 n SER 84 Ca 0.10 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.63 1x64 n SER 84 Cb 0.65 -3.10 -0.01 0.00 -0.75 0.00 0.00 64.21 61.00 1x64 n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x64 n GLY 85 N -0.93 -0.53 3.61 0.46 0.00 -1.26 -4.90 105.19 101.63 1x64 n GLY 85 Ca -0.09 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 1x64 n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x64 s PRO 86 N -1.43 3.52 0.14 1.61 0.04 -1.26 -4.91 135.00 132.71 1x64 s PRO 86 Ca -0.06 1.42 -0.27 0.00 0.04 0.00 0.00 61.00 62.12 1x64 s PRO 86 Cb 0.01 -4.12 -0.05 0.00 0.04 0.00 0.00 34.50 30.38 1x64 s PRO 86 CO 0.09 -1.63 1.36 -1.13 0.04 0.00 0.00 177.00 175.74 1x64 n SER 87 N 9.45 -0.92 -4.54 6.66 3.41 -1.26 -3.99 113.62 122.42 1x64 n SER 87 Ca 0.20 1.57 -0.40 0.00 -0.26 0.00 0.00 58.87 59.99 1x64 n SER 87 Cb 0.46 -0.21 -0.05 0.00 -0.26 0.00 0.00 64.21 64.15 1x64 n SER 87 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x64 n SER 88 N -5.11 2.15 0.00 4.04 3.41 -1.26 -5.09 113.62 111.76 1x64 n SER 88 Ca 0.02 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1x64 n SER 88 Cb 0.23 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 62.73 1x64 n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49