#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cu8 s SER 2 N 0.00 -0.57 0.10 1.61 1.04 -1.26 -5.18 113.70 109.45 2cu8 s SER 2 Ca 0.00 0.82 -0.05 0.00 0.48 0.00 0.00 55.95 57.20 2cu8 s SER 2 Cb 0.00 1.52 -0.02 0.00 0.10 0.00 0.00 66.02 67.62 2cu8 s SER 2 CO 0.00 -0.12 0.12 -0.94 0.98 0.00 0.00 173.24 173.28 2cu8 s SER 3 N 2.08 0.24 0.00 7.02 1.04 -1.26 -5.16 113.70 117.67 2cu8 s SER 3 Ca -0.05 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.46 2cu8 s SER 3 Cb -0.05 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.38 2cu8 s SER 3 CO -0.17 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 173.93 2cu8 n GLY 4 N -0.06 1.18 3.24 7.32 0.00 -1.26 -5.16 105.19 110.45 2cu8 n GLY 4 Ca -0.11 0.48 -0.06 0.00 0.00 0.00 0.00 46.02 46.33 2cu8 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cu8 s SER 5 N 0.00 -0.41 -0.73 1.61 1.04 -1.26 -5.10 113.70 108.85 2cu8 s SER 5 Ca 0.00 0.90 -0.01 0.00 0.48 0.00 0.00 55.95 57.32 2cu8 s SER 5 Cb 0.00 1.54 0.18 0.00 0.10 0.00 0.00 66.02 67.84 2cu8 s SER 5 CO 0.00 -0.25 0.56 -0.44 0.98 0.00 0.00 173.24 174.09 2cu8 s SER 6 N 2.67 5.40 -0.10 7.02 0.01 -1.26 -5.06 113.70 122.38 2cu8 s SER 6 Ca 0.03 -3.32 0.01 0.00 1.31 0.00 0.00 55.95 53.98 2cu8 s SER 6 Cb -0.13 -1.83 -0.02 0.00 0.21 0.00 0.00 66.02 64.25 2cu8 s SER 6 CO -0.15 -0.25 -0.14 -0.83 0.41 0.00 0.00 173.24 172.28 2cu8 s GLY 7 N 0.03 1.53 -0.03 3.44 0.00 -1.26 -5.11 107.32 105.92 2cu8 s GLY 7 Ca 0.22 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 44.02 2cu8 s GLY 7 CO -0.08 -0.39 0.00 1.06 0.00 0.00 0.00 173.10 173.69 2cu8 s MET 8 N -0.02 0.30 0.37 2.90 1.00 -1.26 -5.15 119.30 117.44 2cu8 s MET 8 Ca -0.03 0.09 -0.08 0.00 0.00 0.00 0.00 55.69 55.67 2cu8 s MET 8 Cb -0.14 -0.51 0.03 0.00 0.00 0.00 0.00 34.83 34.21 2cu8 s MET 8 CO 0.04 -0.15 0.64 0.00 0.00 0.00 0.00 175.02 175.54 2cu8 s ALA 9 N 1.13 0.09 0.29 3.03 0.00 -1.26 -5.11 121.76 119.94 2cu8 s ALA 9 Ca -0.08 -1.19 -0.29 0.00 0.00 0.00 0.00 51.96 50.40 2cu8 s ALA 9 Cb -0.13 0.92 -0.10 0.00 0.00 0.00 0.00 23.12 23.81 2cu8 s ALA 9 CO -0.02 -0.88 1.15 -1.54 0.00 0.00 0.00 175.76 174.46 2cu8 s SER 10 N -3.17 7.16 0.80 0.00 1.04 -1.26 -4.77 113.70 113.50 2cu8 s SER 10 Ca 0.24 2.37 -0.12 0.00 0.48 0.00 0.00 55.95 58.91 2cu8 s SER 10 Cb -0.03 -2.63 0.08 0.00 0.10 0.00 0.00 66.02 63.54 2cu8 s SER 10 CO 0.17 -0.23 1.17 -0.54 0.98 0.00 0.00 173.24 174.79 2cu8 s LYS 11 N -1.52 1.98 -0.18 4.02 1.02 -1.26 0.42 119.74 124.22 2cu8 s LYS 11 Ca 0.45 0.10 -0.04 0.00 0.02 0.00 0.00 55.97 56.50 2cu8 s LYS 11 Cb -0.34 -1.96 -0.02 0.00 -0.52 0.00 0.00 37.83 34.99 2cu8 s LYS 11 CO 0.44 -1.58 -0.04 0.00 -0.92 0.00 0.00 175.35 173.25 2cu8 n PRO 13 N 4.10 0.49 -0.08 0.00 -0.04 -1.26 0.16 135.00 138.36 2cu8 n PRO 13 Ca -0.18 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.11 2cu8 n PRO 13 Cb 0.52 -1.23 -0.06 0.00 -0.04 0.00 0.00 33.50 32.69 2cu8 n PRO 13 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2cu8 n LYS 14 N -0.73 0.38 -0.10 0.54 3.00 -1.26 -4.74 118.16 115.25 2cu8 n LYS 14 Ca 0.05 0.17 0.09 0.00 -0.00 0.00 0.00 58.31 58.62 2cu8 n LYS 14 Cb 0.03 -1.15 0.13 0.00 0.00 0.00 0.00 35.03 34.03 2cu8 n LYS 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2cu8 n ASP 16 N -1.31 -0.13 -4.63 0.00 2.03 0.41 -4.88 116.55 108.05 2cu8 n ASP 16 Ca 0.14 -1.18 -0.26 0.00 0.52 0.00 0.00 54.79 54.02 2cu8 n ASP 16 Cb 0.63 -1.48 -0.08 0.00 -0.72 0.00 0.00 41.12 39.47 2cu8 n ASP 16 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2cu8 s LYS 17 N -6.96 2.27 -0.87 -0.67 1.02 -1.24 -4.66 119.74 108.62 2cu8 s LYS 17 Ca 0.31 -1.21 -0.25 0.00 0.02 0.00 0.00 55.97 54.84 2cu8 s LYS 17 Cb -0.18 -2.26 -0.01 0.00 -0.52 0.00 0.00 37.83 34.86 2cu8 s LYS 17 CO 0.94 0.43 1.74 0.99 -0.92 0.00 0.00 175.35 178.54 2cu8 s THR 18 N -1.80 3.58 0.48 2.17 2.01 -1.26 0.59 115.64 121.41 2cu8 s THR 18 Ca 0.27 -0.31 -0.23 0.00 0.31 0.00 0.00 61.69 61.73 2cu8 s THR 18 Cb -0.09 -4.35 -0.08 0.00 0.01 0.00 0.00 72.50 67.99 2cu8 s THR 18 CO 0.18 -1.28 1.20 0.52 -0.69 0.00 0.00 174.62 174.54 2cu8 n VAL 19 N 7.37 3.06 -3.92 3.82 0.31 0.17 -4.92 118.33 124.22 2cu8 n VAL 19 Ca 0.32 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.79 2cu8 n VAL 19 Cb 0.49 -1.46 -0.10 0.00 -0.91 0.00 0.00 33.84 31.86 2cu8 n VAL 19 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2cu8 s TYR 20 N -1.29 3.21 0.62 3.52 1.51 -1.26 -4.18 117.35 119.48 2cu8 s TYR 20 Ca 0.67 -0.03 0.22 0.00 -1.01 0.00 0.00 57.07 56.92 2cu8 s TYR 20 Cb -0.48 -2.14 1.00 0.00 -0.11 0.00 0.00 41.96 40.24 2cu8 s TYR 20 CO 0.54 0.02 1.50 0.35 -1.11 0.00 0.00 175.55 176.85 2cu8 h PHE 21 N 7.17 0.00 -0.48 2.71 3.57 -1.93 0.53 116.94 128.50 2cu8 h PHE 21 Ca -0.37 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.12 2cu8 h PHE 21 Cb 1.17 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 2cu8 h PHE 21 CO 0.60 0.00 0.27 0.00 -2.23 0.00 0.00 178.31 176.95 2cu8 h ALA 22 N 0.80 0.62 -0.04 2.41 0.00 -2.02 -3.16 119.26 117.88 2cu8 h ALA 22 Ca 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2cu8 h ALA 22 Cb 1.91 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2cu8 h ALA 22 CO -0.00 0.14 0.00 0.39 0.00 0.00 0.00 179.25 179.78 2cu8 n GLU 23 N -4.67 1.81 -2.15 0.00 1.02 0.14 -5.01 120.64 111.79 2cu8 n GLU 23 Ca 0.02 -2.39 -0.43 0.00 -0.02 0.00 0.00 57.16 54.34 2cu8 n GLU 23 Cb 0.08 -1.44 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 2cu8 n GLU 23 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2cu8 s LYS 24 N -2.48 3.71 -0.19 3.49 2.20 0.11 -4.48 119.74 122.11 2cu8 s LYS 24 Ca 0.27 1.51 -0.03 0.00 -0.36 0.00 0.00 55.97 57.36 2cu8 s LYS 24 Cb 0.23 -4.05 -0.01 0.00 -1.51 0.00 0.00 37.83 32.49 2cu8 s LYS 24 CO 0.03 -1.39 -0.06 0.54 -0.36 0.00 0.00 175.35 174.11 2cu8 s VAL 25 N 5.41 3.41 0.48 4.02 0.11 -1.07 -4.96 120.40 127.81 2cu8 s VAL 25 Ca 0.70 -0.50 -0.21 0.00 -2.93 0.00 0.00 61.98 59.04 2cu8 s VAL 25 Cb -0.23 -2.52 -0.08 0.00 -1.53 0.00 0.00 36.38 32.03 2cu8 s VAL 25 CO 0.30 0.46 1.08 -0.94 -3.33 0.00 0.00 175.10 172.67 2cu8 s SER 26 N 1.03 6.23 -0.30 3.54 1.04 -1.26 -1.89 113.70 122.10 2cu8 s SER 26 Ca 0.00 2.07 -0.15 0.00 0.48 0.00 0.00 55.95 58.35 2cu8 s SER 26 Cb -0.15 -2.58 0.17 0.00 0.10 0.00 0.00 66.02 63.56 2cu8 s SER 26 CO -0.00 -0.86 1.01 -0.55 0.98 0.00 0.00 173.24 173.82 2cu8 s SER 27 N -1.75 -0.53 -1.36 7.02 0.15 -0.80 -4.62 113.70 111.80 2cu8 s SER 27 Ca 0.66 0.74 -0.07 0.00 0.70 0.00 0.00 55.95 57.98 2cu8 s SER 27 Cb -0.21 1.56 0.05 0.00 -1.71 0.00 0.00 66.02 65.70 2cu8 s SER 27 CO 0.25 -0.10 0.51 0.18 1.20 0.00 0.00 173.24 175.28 2cu8 n LEU 28 N 4.77 -1.91 -2.06 3.45 4.32 -1.26 -1.21 117.00 123.10 2cu8 n LEU 28 Ca -0.10 -0.33 -0.12 0.00 -0.02 0.00 0.00 56.01 55.44 2cu8 n LEU 28 Cb 0.53 -2.41 0.04 0.00 -1.62 0.00 0.00 43.42 39.96 2cu8 n LEU 28 CO -0.04 0.17 0.12 0.61 -1.22 0.00 0.00 177.39 177.03 2cu8 n GLY 29 N -1.28 0.19 3.49 -0.72 0.00 -1.26 -5.03 105.19 100.59 2cu8 n GLY 29 Ca -0.05 -0.21 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 2cu8 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cu8 s LYS 30 N -5.56 1.99 -0.24 1.61 1.02 -0.35 -5.15 119.74 113.07 2cu8 s LYS 30 Ca 0.26 -1.82 0.01 0.00 0.02 0.00 0.00 55.97 54.44 2cu8 s LYS 30 Cb -0.12 0.45 0.06 0.00 -0.52 0.00 0.00 37.83 37.70 2cu8 s LYS 30 CO 0.36 -0.83 -0.05 -0.51 -0.92 0.00 0.00 175.35 173.40 2cu8 s ASP 31 N -3.27 3.95 0.42 2.83 1.11 -1.26 -1.90 116.67 118.55 2cu8 s ASP 31 Ca 0.31 -1.24 0.01 0.00 0.18 0.00 0.00 52.55 51.81 2cu8 s ASP 31 Cb -0.01 -1.23 0.01 0.00 1.07 0.00 0.00 42.92 42.76 2cu8 s ASP 31 CO 0.22 -0.24 0.09 0.79 1.18 0.00 0.00 175.17 177.22 2cu8 n TRP 32 N 4.63 0.45 -2.95 4.23 7.02 -0.79 -4.37 117.44 125.67 2cu8 n TRP 32 Ca -0.12 -1.97 -0.14 0.00 -1.02 0.00 0.00 57.50 54.26 2cu8 n TRP 32 Cb 0.44 -0.30 0.05 0.00 -2.42 0.00 0.00 31.31 29.08 2cu8 n TRP 32 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 2cu8 n HIS 33 N -1.16 -2.60 0.04 -5.99 8.25 -1.26 -2.60 115.22 109.90 2cu8 n HIS 33 Ca -0.13 -1.41 -0.06 0.00 -0.26 0.00 0.00 57.72 55.86 2cu8 n HIS 33 Cb 0.51 -0.39 -0.11 0.00 1.12 0.00 0.00 29.99 31.11 2cu8 n HIS 33 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2cu8 h LYS 34 N 0.00 0.00 0.00 -0.41 1.79 -1.97 -3.15 116.57 112.83 2cu8 h LYS 34 Ca -0.19 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.20 2cu8 h LYS 34 Cb 0.85 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.48 2cu8 h LYS 34 CO 0.26 0.77 -1.92 1.19 -1.08 0.00 0.00 179.45 178.67 2cu8 n PHE 35 N -3.22 0.18 0.17 -1.35 3.72 -1.26 -4.20 117.46 111.50 2cu8 n PHE 35 Ca -0.06 0.06 0.06 0.00 -0.05 0.00 0.00 57.45 57.46 2cu8 n PHE 35 Cb 0.96 -0.69 0.18 0.00 -0.94 0.00 0.00 39.48 38.98 2cu8 n PHE 35 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2cu8 n LEU 37 N -3.27 5.03 -3.91 0.00 7.94 -1.19 -4.78 117.00 116.83 2cu8 n LEU 37 Ca 0.02 -2.87 -0.20 0.00 -1.11 0.00 0.00 56.01 51.85 2cu8 n LEU 37 Cb 0.62 -1.29 -0.16 0.00 0.53 0.00 0.00 43.42 43.12 2cu8 n LEU 37 CO 0.38 1.44 -0.41 -0.54 -1.11 0.00 0.00 177.39 177.15 2cu8 s LYS 38 N 0.84 0.84 0.37 1.96 1.02 -1.25 -3.21 119.74 120.31 2cu8 s LYS 38 Ca 0.48 -0.14 -0.16 0.00 0.02 0.00 0.00 55.97 56.17 2cu8 s LYS 38 Cb 0.23 -0.82 -0.12 0.00 -0.52 0.00 0.00 37.83 36.59 2cu8 s LYS 38 CO 0.00 -0.05 -0.02 0.00 -0.92 0.00 0.00 175.35 174.37 2cu8 n GLU 40 N 1.15 0.41 -0.10 0.00 4.07 -1.23 -2.96 120.64 121.99 2cu8 n GLU 40 Ca 0.08 -0.10 -0.13 0.00 -0.06 0.00 0.00 57.16 56.95 2cu8 n GLU 40 Cb 0.35 -1.53 -0.05 0.00 -0.06 0.00 0.00 31.44 30.15 2cu8 n GLU 40 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2cu8 n ARG 41 N -2.01 0.52 0.10 5.31 0.63 -1.26 -4.59 116.66 115.37 2cu8 n ARG 41 Ca -0.01 0.33 0.04 0.00 -0.92 0.00 0.00 57.85 57.29 2cu8 n ARG 41 Cb 0.48 -1.53 -0.00 0.00 0.45 0.00 0.00 32.46 31.86 2cu8 n ARG 41 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2cu8 n SER 43 N -3.00 -3.99 -4.14 0.00 7.64 -1.15 -5.01 113.62 103.96 2cu8 n SER 43 Ca -0.02 -0.70 -0.25 0.00 1.01 0.00 0.00 58.87 58.91 2cu8 n SER 43 Cb 0.72 -4.95 -0.16 0.00 -1.01 0.00 0.00 64.21 58.82 2cu8 n SER 43 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2cu8 s LYS 44 N -5.07 1.45 0.28 1.43 2.47 -1.26 -4.87 119.74 114.17 2cu8 s LYS 44 Ca 0.21 -0.58 -0.19 0.00 -1.56 0.00 0.00 55.97 53.84 2cu8 s LYS 44 Cb -0.03 -1.36 -0.13 0.00 -1.46 0.00 0.00 37.83 34.85 2cu8 s LYS 44 CO 0.75 0.31 0.18 2.41 0.16 0.00 0.00 175.35 179.17 2cu8 n THR 45 N 2.84 0.89 -4.48 3.43 -1.04 -1.26 -3.22 114.28 111.43 2cu8 n THR 45 Ca -0.16 -0.42 -0.23 0.00 -2.04 0.00 0.00 64.05 61.21 2cu8 n THR 45 Cb 0.54 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.99 2cu8 n THR 45 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2cu8 n LEU 46 N 1.85 0.00 -4.25 -4.42 4.77 -1.20 -4.83 117.00 108.92 2cu8 n LEU 46 Ca 0.11 -2.70 -0.33 0.00 -0.03 0.00 0.00 56.01 53.06 2cu8 n LEU 46 Cb 0.29 0.76 -0.16 0.00 -2.33 0.00 0.00 43.42 41.98 2cu8 n LEU 46 CO 0.46 -0.41 -0.52 -0.89 -1.33 0.00 0.00 177.39 174.70 2cu8 s THR 47 N -2.81 2.39 -1.99 -5.08 2.01 -1.26 -4.99 115.64 103.91 2cu8 s THR 47 Ca 0.14 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.25 2cu8 s THR 47 Cb 0.01 -1.96 0.00 0.00 0.01 0.00 0.00 72.50 70.56 2cu8 s THR 47 CO 0.10 0.54 0.49 -0.81 -0.69 0.00 0.00 174.62 174.25 2cu8 n PRO 48 N 3.72 0.49 -2.69 4.92 -0.04 -1.26 -3.09 135.00 137.05 2cu8 n PRO 48 Ca -0.19 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.20 2cu8 n PRO 48 Cb 0.52 -1.00 0.06 0.00 -0.04 0.00 0.00 33.50 33.05 2cu8 n PRO 48 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cu8 n GLY 49 N -0.01 1.49 0.00 0.55 0.00 -1.26 -3.78 105.19 102.18 2cu8 n GLY 49 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2cu8 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cu8 n GLY 50 N -0.34 -0.04 3.69 -0.02 0.00 -1.18 -5.08 105.19 102.22 2cu8 n GLY 50 Ca 0.04 0.47 0.01 0.00 0.00 0.00 0.00 46.02 46.54 2cu8 n GLY 50 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2cu8 s HIS 51 N 0.00 -0.03 0.18 1.61 -0.00 -1.26 -4.45 115.29 111.33 2cu8 s HIS 51 Ca 0.00 -0.09 0.04 0.00 -0.00 0.00 0.00 55.06 55.00 2cu8 s HIS 51 Cb 0.00 0.56 -0.03 0.00 -0.00 0.00 0.00 32.58 33.11 2cu8 s HIS 51 CO 0.00 -0.33 0.27 0.00 -0.00 0.00 0.00 174.74 174.67 2cu8 s ALA 52 N -2.41 3.86 -0.03 -1.38 0.00 -1.00 -5.00 121.76 115.81 2cu8 s ALA 52 Ca 0.16 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 51.00 2cu8 s ALA 52 Cb 0.03 -1.66 0.01 0.00 0.00 0.00 0.00 23.12 21.50 2cu8 s ALA 52 CO -0.03 0.44 -0.07 -1.83 0.00 0.00 0.00 175.76 174.28 2cu8 s GLU 53 N -3.43 0.87 -0.10 0.00 -1.05 -1.26 -0.57 118.70 113.16 2cu8 s GLU 53 Ca 0.34 -0.22 -0.03 0.00 -0.15 0.00 0.00 54.97 54.90 2cu8 s GLU 53 Cb -0.10 -0.83 0.04 0.00 -0.44 0.00 0.00 34.13 32.80 2cu8 s GLU 53 CO 0.27 0.04 0.06 -1.58 0.95 0.00 0.00 175.26 175.01 2cu8 s HIS 54 N 0.42 0.24 -1.43 4.83 2.46 0.59 -4.83 115.29 117.57 2cu8 s HIS 54 Ca -0.06 -0.05 -0.02 0.00 0.47 0.00 0.00 55.06 55.40 2cu8 s HIS 54 Cb -0.10 -0.63 0.00 0.00 -0.13 0.00 0.00 32.58 31.73 2cu8 s HIS 54 CO 0.00 -0.34 0.26 -3.47 -2.47 0.00 0.00 174.74 168.73 2cu8 n ASP 55 N 5.26 -5.35 0.00 9.88 -0.08 -1.26 -1.81 116.55 123.18 2cu8 n ASP 55 Ca -0.05 -0.13 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 2cu8 n ASP 55 Cb 0.49 -4.31 0.00 0.00 2.34 0.00 0.00 41.12 39.65 2cu8 n ASP 55 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2cu8 n GLY 56 N -1.22 2.89 3.73 0.27 0.00 -1.26 -5.00 105.19 104.61 2cu8 n GLY 56 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 2cu8 n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cu8 s LYS 57 N -0.15 4.35 0.57 1.61 3.01 -0.75 -4.80 119.74 123.58 2cu8 s LYS 57 Ca 0.00 0.62 -0.18 0.00 -1.01 0.00 0.00 55.97 55.40 2cu8 s LYS 57 Cb 0.00 -3.41 -0.04 0.00 -1.01 0.00 0.00 37.83 33.36 2cu8 s LYS 57 CO 0.00 0.19 1.12 -1.25 0.51 0.00 0.00 175.35 175.93 2cu8 s PRO 58 N 0.44 3.23 -0.23 -1.68 0.04 -1.26 -0.30 135.00 135.23 2cu8 s PRO 58 Ca 0.30 1.56 -0.21 0.00 0.04 0.00 0.00 61.00 62.69 2cu8 s PRO 58 Cb -0.16 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.44 2cu8 s PRO 58 CO 0.14 -0.94 0.62 -0.06 0.04 0.00 0.00 177.00 176.80 2cu8 s PHE 59 N -1.91 -0.70 0.84 0.56 0.08 0.26 -3.51 117.98 113.60 2cu8 s PHE 59 Ca 0.71 1.68 -0.13 0.00 0.12 0.00 0.00 56.93 59.31 2cu8 s PHE 59 Cb -0.23 0.25 0.06 0.00 -0.57 0.00 0.00 43.02 42.53 2cu8 s PHE 59 CO 0.30 -0.34 0.92 0.00 -0.10 0.00 0.00 175.22 176.00 2cu8 h HIS 61 N -1.09 1.03 0.00 0.00 3.86 -1.95 0.21 115.15 117.21 2cu8 h HIS 61 Ca -0.45 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 2cu8 h HIS 61 Cb 1.30 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 29.46 2cu8 h HIS 61 CO 0.43 0.23 0.00 0.36 0.86 0.00 0.00 177.93 179.81 2cu8 n LYS 62 N -4.78 0.00 0.22 2.45 2.85 -1.26 -2.36 118.16 115.28 2cu8 n LYS 62 Ca 0.22 0.00 0.15 0.00 -1.05 0.00 0.00 58.31 57.64 2cu8 n LYS 62 Cb 0.55 0.00 0.62 0.00 -0.65 0.00 0.00 35.03 35.55 2cu8 n LYS 62 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 2cu8 h PRO 63 N 0.00 0.00 0.00 -1.58 0.13 -1.99 -3.46 132.00 125.10 2cu8 h PRO 63 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2cu8 h PRO 63 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2cu8 h PRO 63 CO 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 2cu8 h TYR 65 N 0.00 -1.05 -0.36 0.00 5.03 -1.05 -2.61 116.97 116.95 2cu8 h TYR 65 Ca 0.00 -0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.32 2cu8 h TYR 65 Cb 0.00 0.35 -0.04 0.00 1.55 0.00 0.00 36.73 38.58 2cu8 h TYR 65 CO -0.15 -0.64 -0.21 0.00 -1.32 0.00 0.00 178.16 175.84 2cu8 n ALA 66 N -2.65 -0.23 -0.12 1.82 0.00 -0.82 -0.26 120.51 118.24 2cu8 n ALA 66 Ca -0.15 0.30 -0.06 0.00 0.00 0.00 0.00 53.44 53.54 2cu8 n ALA 66 Cb 0.45 0.17 0.01 0.00 0.00 0.00 0.00 19.45 20.07 2cu8 n ALA 66 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2cu8 h THR 67 N 0.00 0.33 -1.01 0.00 2.02 0.58 0.15 112.91 114.99 2cu8 h THR 67 Ca 0.06 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.47 2cu8 h THR 67 Cb 0.15 0.33 -0.10 0.00 -1.74 0.00 0.00 68.15 66.79 2cu8 h THR 67 CO -0.34 0.00 0.63 -0.07 0.37 0.00 0.00 175.52 176.11 2cu8 h LEU 68 N -0.17 0.59 -4.05 2.58 3.38 -0.22 0.01 115.31 117.43 2cu8 h LEU 68 Ca 0.20 0.10 -0.61 0.00 0.09 0.00 0.00 57.88 57.65 2cu8 h LEU 68 Cb 0.48 -0.00 -0.38 0.00 0.09 0.00 0.00 40.66 40.85 2cu8 h LEU 68 CO -0.52 0.15 -0.21 0.49 0.09 0.00 0.00 178.44 178.44 2cu8 n PHE 69 N -4.72 3.00 -3.00 1.13 3.01 0.29 -4.74 117.46 112.44 2cu8 n PHE 69 Ca 0.25 -2.59 -0.15 0.00 1.01 0.00 0.00 57.45 55.97 2cu8 n PHE 69 Cb 0.75 -0.65 0.01 0.00 -0.01 0.00 0.00 39.48 39.57 2cu8 n PHE 69 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2cu8 n GLY 70 N -0.71 2.30 3.51 1.37 0.00 0.22 -4.91 105.19 106.96 2cu8 n GLY 70 Ca 0.49 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 2cu8 n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cu8 s SER 71 N -1.88 0.01 -0.13 1.61 1.04 -1.26 -4.84 113.70 108.24 2cu8 s SER 71 Ca 0.33 -1.05 -0.01 0.00 0.48 0.00 0.00 55.95 55.69 2cu8 s SER 71 Cb 0.31 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.99 2cu8 s SER 71 CO -0.08 -1.10 0.03 0.61 0.98 0.00 0.00 173.24 173.68 2cu8 n GLY 72 N -0.37 -3.63 0.21 7.32 0.00 -1.26 -4.96 105.19 102.49 2cu8 n GLY 72 Ca -0.01 0.20 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 2cu8 n GLY 72 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cu8 h PRO 73 N 1.51 0.71 -6.06 1.61 0.13 -2.06 -3.44 132.00 124.40 2cu8 h PRO 73 Ca -0.06 -0.38 -0.67 0.00 -0.87 0.00 0.00 66.00 64.03 2cu8 h PRO 73 Cb 0.13 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 31.14 2cu8 h PRO 73 CO 0.04 0.99 -0.62 -1.54 -0.23 0.00 0.00 178.00 176.64 2cu8 s SER 74 N -6.56 5.27 -0.95 1.44 1.04 -1.26 -5.06 113.70 107.62 2cu8 s SER 74 Ca -0.12 0.08 -0.06 0.00 0.48 0.00 0.00 55.95 56.32 2cu8 s SER 74 Cb 0.09 -1.44 0.24 0.00 0.10 0.00 0.00 66.02 65.00 2cu8 s SER 74 CO 0.83 0.31 0.88 -0.55 0.98 0.00 0.00 173.24 175.69 2cu8 s SER 75 N -1.36 6.52 0.00 7.02 0.15 -1.26 -5.22 113.70 119.54 2cu8 s SER 75 Ca 0.18 -3.50 0.00 0.00 0.70 0.00 0.00 55.95 53.33 2cu8 s SER 75 Cb -0.12 -2.05 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 2cu8 s SER 75 CO 0.08 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.85