#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dig s SER 2 N 0.00 -0.30 0.20 1.61 0.15 -1.26 -5.17 113.70 108.94 2dig s SER 2 Ca 0.00 0.26 -0.14 0.00 0.70 0.00 0.00 55.95 56.78 2dig s SER 2 Cb 0.00 0.26 -0.07 0.00 -1.71 0.00 0.00 66.02 64.49 2dig s SER 2 CO 0.00 -0.32 0.59 -0.55 1.20 0.00 0.00 173.24 174.16 2dig s SER 3 N -1.37 6.79 0.32 5.45 0.15 -1.26 -5.09 113.70 118.69 2dig s SER 3 Ca 0.02 1.09 0.04 0.00 0.70 0.00 0.00 55.95 57.79 2dig s SER 3 Cb -0.01 -2.29 -0.01 0.00 -1.71 0.00 0.00 66.02 62.00 2dig s SER 3 CO -0.02 0.01 0.13 0.61 1.20 0.00 0.00 173.24 175.18 2dig n GLY 4 N 0.39 3.37 3.98 9.45 0.00 -1.26 -5.17 105.19 115.95 2dig n GLY 4 Ca -0.02 -2.04 -0.20 0.00 0.00 0.00 0.00 46.02 43.75 2dig n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dig s SER 5 N -2.97 5.84 -0.24 1.61 1.04 -1.26 -5.11 113.70 112.60 2dig s SER 5 Ca 0.19 -0.02 -0.03 0.00 0.48 0.00 0.00 55.95 56.57 2dig s SER 5 Cb 0.01 -1.27 0.13 0.00 0.10 0.00 0.00 66.02 64.99 2dig s SER 5 CO 0.13 -0.61 0.42 -0.94 0.98 0.00 0.00 173.24 173.23 2dig s SER 6 N -4.22 -0.12 0.00 7.02 1.04 -1.26 -5.12 113.70 111.04 2dig s SER 6 Ca 0.48 0.50 0.00 0.00 0.48 0.00 0.00 55.95 57.41 2dig s SER 6 Cb -0.10 1.34 0.00 0.00 0.10 0.00 0.00 66.02 67.36 2dig s SER 6 CO 0.34 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.89 2dig n GLY 7 N 5.38 2.44 3.81 7.32 0.00 -1.26 -5.15 105.19 117.73 2dig n GLY 7 Ca -0.04 0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 2dig n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dig s MET 8 N 4.20 4.27 -0.59 1.61 1.00 -1.26 -4.99 119.30 123.55 2dig s MET 8 Ca 0.00 0.96 -0.27 0.00 0.00 0.00 0.00 55.69 56.38 2dig s MET 8 Cb 0.00 -2.70 -0.02 0.00 0.00 0.00 0.00 34.83 32.11 2dig s MET 8 CO 0.00 0.27 1.85 -1.25 0.00 0.00 0.00 175.02 175.89 2dig s PRO 9 N -2.33 2.70 -0.27 2.03 0.04 -1.26 -4.96 135.00 130.95 2dig s PRO 9 Ca 0.49 0.68 -0.26 0.00 0.04 0.00 0.00 61.00 61.95 2dig s PRO 9 Cb -0.15 -4.37 0.00 0.00 0.04 0.00 0.00 34.50 30.03 2dig s PRO 9 CO 0.20 -2.65 0.89 0.45 0.04 0.00 0.00 177.00 175.93 2dig s SER 10 N 7.88 6.84 -0.01 6.66 0.15 -1.26 -5.03 113.70 128.94 2dig s SER 10 Ca 0.68 0.99 -0.25 0.00 0.70 0.00 0.00 55.95 58.07 2dig s SER 10 Cb -0.13 -2.46 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 2dig s SER 10 CO 0.22 -0.62 0.79 -0.60 1.20 0.00 0.00 173.24 174.22 2dig s ARG 11 N 3.05 4.49 0.49 5.44 6.06 -1.26 -4.92 118.95 132.29 2dig s ARG 11 Ca 0.37 1.07 0.35 0.00 -2.50 0.00 0.00 55.73 55.02 2dig s ARG 11 Cb -0.14 -3.42 1.50 0.00 0.06 0.00 0.00 34.95 32.94 2dig s ARG 11 CO 0.10 0.12 1.67 0.87 -2.50 0.00 0.00 175.30 175.56 2dig h LYS 12 N 6.36 0.08 -4.28 5.12 1.57 -2.00 -3.30 116.57 120.11 2dig h LYS 12 Ca -0.42 -0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.76 2dig h LYS 12 Cb 1.20 -0.02 -0.38 0.00 0.08 0.00 0.00 32.23 33.12 2dig h LYS 12 CO 0.74 0.05 -0.79 -0.06 -0.57 0.00 0.00 179.45 178.82 2dig s PHE 13 N -5.13 2.15 0.78 -1.35 0.08 -1.26 -5.03 117.98 108.21 2dig s PHE 13 Ca -0.07 -1.53 -0.13 0.00 0.12 0.00 0.00 56.93 55.32 2dig s PHE 13 Cb 0.27 -1.49 0.07 0.00 -0.57 0.00 0.00 43.02 41.30 2dig s PHE 13 CO 0.83 -0.73 1.18 0.00 -0.10 0.00 0.00 175.22 176.41 2dig s ALA 14 N 1.48 1.97 -0.28 5.36 0.00 -1.25 -4.91 121.76 124.14 2dig s ALA 14 Ca -0.04 0.75 -0.29 0.00 0.00 0.00 0.00 51.96 52.39 2dig s ALA 14 Cb -0.18 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 2dig s ALA 14 CO -0.07 -2.08 1.50 -0.51 0.00 0.00 0.00 175.76 174.60 2dig s ASP 15 N -2.31 6.43 0.00 0.00 1.11 -1.26 -2.44 116.67 118.20 2dig s ASP 15 Ca 0.71 1.35 0.00 0.00 0.18 0.00 0.00 52.55 54.80 2dig s ASP 15 Cb -0.26 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.19 2dig s ASP 15 CO 0.49 -1.26 0.00 0.61 1.18 0.00 0.00 175.17 176.19 2dig n GLY 16 N 4.67 0.86 3.82 0.21 0.00 0.91 -5.01 105.19 110.64 2dig n GLY 16 Ca 0.17 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 2dig n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dig s GLU 17 N -0.64 4.21 -0.88 1.61 2.56 -1.02 -4.74 118.70 119.80 2dig s GLU 17 Ca 0.00 0.78 -0.19 0.00 0.00 0.00 0.00 54.97 55.56 2dig s GLU 17 Cb 0.00 -2.98 0.13 0.00 2.00 0.00 0.00 34.13 33.28 2dig s GLU 17 CO 0.00 0.47 1.07 0.08 -0.56 0.00 0.00 175.26 176.32 2dig s VAL 18 N -1.42 4.72 0.30 3.70 1.01 -1.26 -1.21 120.40 126.25 2dig s VAL 18 Ca 0.39 -1.44 0.02 0.00 0.00 0.00 0.00 61.98 60.96 2dig s VAL 18 Cb -0.17 -4.74 0.02 0.00 0.00 0.00 0.00 36.38 31.49 2dig s VAL 18 CO 0.21 -1.47 0.21 1.33 0.00 0.00 0.00 175.10 175.38 2dig n VAL 19 N 5.49 0.00 -4.42 2.92 0.24 0.16 -4.88 118.33 117.84 2dig n VAL 19 Ca 0.19 -1.22 -0.34 0.00 -2.04 0.00 0.00 64.34 60.93 2dig n VAL 19 Cb 0.48 -0.19 -0.12 0.00 -1.47 0.00 0.00 33.84 32.54 2dig n VAL 19 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2dig s ARG 20 N -3.23 3.62 0.04 7.34 0.52 -1.04 0.56 118.95 126.77 2dig s ARG 20 Ca 0.16 -0.52 0.09 0.00 -0.52 0.00 0.00 55.73 54.93 2dig s ARG 20 Cb -0.01 -2.89 -0.03 0.00 0.52 0.00 0.00 34.95 32.54 2dig s ARG 20 CO 0.10 0.27 -0.25 0.20 0.02 0.00 0.00 175.30 175.64 2dig s GLY 21 N 0.29 1.44 -0.56 -3.53 0.00 -0.69 -0.98 107.32 103.29 2dig s GLY 21 Ca -0.04 -1.26 -0.22 0.00 0.00 0.00 0.00 44.72 43.20 2dig s GLY 21 CO 0.03 -1.14 0.86 -1.60 0.00 0.00 0.00 173.10 171.25 2dig s ARG 22 N -1.27 3.23 0.16 2.90 3.52 -1.11 -1.45 118.95 124.94 2dig s ARG 22 Ca 0.12 -0.55 -0.25 0.00 -0.13 0.00 0.00 55.73 54.93 2dig s ARG 22 Cb -0.10 -4.10 -0.15 0.00 -1.56 0.00 0.00 34.95 29.04 2dig s ARG 22 CO 0.03 -1.49 0.48 1.87 -0.81 0.00 0.00 175.30 175.38 2dig n TRP 23 N 7.17 -0.35 0.52 5.12 -0.00 -1.06 -4.78 117.44 124.06 2dig n TRP 23 Ca -0.02 0.84 0.07 0.00 -0.00 0.00 0.00 57.50 58.39 2dig n TRP 23 Cb 0.46 -1.69 0.31 0.00 -0.00 0.00 0.00 31.31 30.40 2dig n TRP 23 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 2dig n PRO 24 N 0.89 0.03 -0.07 5.87 -0.04 -1.26 -2.92 135.00 137.50 2dig n PRO 24 Ca 0.16 0.24 -0.07 0.00 -0.04 0.00 0.00 63.50 63.78 2dig n PRO 24 Cb 0.20 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.05 2dig n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dig n GLY 25 N -0.02 -0.67 3.64 0.55 0.00 -1.26 -5.05 105.19 102.38 2dig n GLY 25 Ca 0.04 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 2dig n GLY 25 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dig s SER 26 N -4.83 3.49 -0.37 1.61 0.15 -1.15 -5.05 113.70 107.55 2dig s SER 26 Ca -0.08 -1.67 0.06 0.00 0.70 0.00 0.00 55.95 54.96 2dig s SER 26 Cb 0.04 0.53 0.58 0.00 -1.71 0.00 0.00 66.02 65.46 2dig s SER 26 CO 0.57 -0.90 1.67 -0.24 1.20 0.00 0.00 173.24 175.54 2dig n SER 27 N -1.31 3.11 -4.57 5.45 2.88 -1.26 -3.99 113.62 113.94 2dig n SER 27 Ca -0.13 -3.72 -0.34 0.00 -1.33 0.00 0.00 58.87 53.35 2dig n SER 27 Cb 0.66 -0.73 -0.11 0.00 -0.75 0.00 0.00 64.21 63.28 2dig n SER 27 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2dig s LEU 28 N -3.29 3.39 -0.09 2.46 1.43 -1.26 -4.97 118.68 116.35 2dig s LEU 28 Ca 0.50 -0.03 -0.19 0.00 -1.03 0.00 0.00 54.13 53.39 2dig s LEU 28 Cb 0.44 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 2dig s LEU 28 CO 0.04 0.24 0.52 -0.31 0.23 0.00 0.00 176.35 177.08 2dig s TYR 29 N -0.06 3.55 0.29 0.29 1.51 -1.26 -2.57 117.35 119.10 2dig s TYR 29 Ca 0.03 0.98 0.11 0.00 -1.01 0.00 0.00 57.07 57.18 2dig s TYR 29 Cb -0.13 -2.59 -0.05 0.00 -0.11 0.00 0.00 41.96 39.08 2dig s TYR 29 CO 0.02 0.19 -0.18 0.71 -1.11 0.00 0.00 175.55 175.18 2dig s TYR 30 N 0.51 2.29 -0.60 2.71 2.02 -0.53 -4.86 117.35 118.90 2dig s TYR 30 Ca 0.28 -0.37 -0.27 0.00 -0.37 0.00 0.00 57.07 56.35 2dig s TYR 30 Cb -0.16 -1.05 -0.02 0.00 -0.40 0.00 0.00 41.96 40.34 2dig s TYR 30 CO 0.12 0.68 1.81 -2.00 -1.57 0.00 0.00 175.55 174.60 2dig s GLU 31 N -3.53 2.72 0.43 -0.62 2.12 -1.26 -1.71 118.70 116.86 2dig s GLU 31 Ca 0.30 0.61 0.04 0.00 0.36 0.00 0.00 54.97 56.29 2dig s GLU 31 Cb -0.04 -4.36 -0.05 0.00 0.26 0.00 0.00 34.13 29.95 2dig s GLU 31 CO 0.15 -2.62 0.02 0.14 -0.54 0.00 0.00 175.26 172.41 2dig s VAL 32 N 8.67 1.54 0.14 3.70 -7.23 0.19 -4.42 120.40 122.99 2dig s VAL 32 Ca 0.66 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.90 2dig s VAL 32 Cb -0.13 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 2dig s VAL 32 CO 0.21 0.00 -0.16 -0.70 -0.31 0.00 0.00 175.10 174.14 2dig s GLU 33 N -3.79 1.14 -0.26 4.82 2.12 -1.01 0.38 118.70 122.10 2dig s GLU 33 Ca 0.25 -1.31 -0.21 0.00 0.36 0.00 0.00 54.97 54.06 2dig s GLU 33 Cb 0.07 -1.12 -0.01 0.00 0.26 0.00 0.00 34.13 33.32 2dig s GLU 33 CO 0.12 0.22 0.68 0.42 -0.54 0.00 0.00 175.26 176.16 2dig s ILE 34 N -2.04 4.94 -0.26 -3.70 -1.09 -0.35 -2.03 121.20 116.67 2dig s ILE 34 Ca 0.12 1.17 -0.16 0.00 -2.23 0.00 0.00 60.65 59.55 2dig s ILE 34 Cb -0.06 -3.99 -0.14 0.00 -1.58 0.00 0.00 42.46 36.69 2dig s ILE 34 CO 0.05 -0.03 -0.19 0.18 -1.23 0.00 0.00 174.94 173.71 2dig n LEU 35 N 5.82 1.97 -3.88 2.97 4.77 0.93 -0.07 117.00 129.52 2dig n LEU 35 Ca 0.01 0.35 -0.09 0.00 -0.03 0.00 0.00 56.01 56.25 2dig n LEU 35 Cb 0.49 -0.87 -0.04 0.00 -2.33 0.00 0.00 43.42 40.67 2dig n LEU 35 CO 0.45 0.51 0.26 -0.44 -1.33 0.00 0.00 177.39 176.84 2dig s SER 36 N -7.29 -0.18 -0.11 -1.43 0.01 -1.04 -4.76 113.70 98.90 2dig s SER 36 Ca -0.36 -0.71 0.01 0.00 1.31 0.00 0.00 55.95 56.20 2dig s SER 36 Cb 0.12 0.61 0.02 0.00 0.21 0.00 0.00 66.02 66.98 2dig s SER 36 CO 0.52 -1.14 -0.12 -2.28 0.41 0.00 0.00 173.24 170.64 2dig s HIS 37 N -3.95 1.73 -0.38 2.43 2.46 -1.26 -0.85 115.29 115.46 2dig s HIS 37 Ca 0.15 -0.84 -0.26 0.00 0.47 0.00 0.00 55.06 54.58 2dig s HIS 37 Cb -0.02 -1.32 0.02 0.00 -0.13 0.00 0.00 32.58 31.13 2dig s HIS 37 CO 0.04 -0.49 0.92 0.34 -2.47 0.00 0.00 174.74 173.08 2dig s ASP 38 N 1.30 6.64 -0.16 9.88 2.15 0.68 -4.91 116.67 132.25 2dig s ASP 38 Ca -0.01 0.50 0.01 0.00 0.43 0.00 0.00 52.55 53.48 2dig s ASP 38 Cb -0.14 -2.46 0.24 0.00 -0.30 0.00 0.00 42.92 40.26 2dig s ASP 38 CO -0.05 -0.89 1.35 -0.24 -0.17 0.00 0.00 175.17 175.17 2dig n SER 39 N 6.84 3.34 0.00 -0.34 2.88 -1.26 -2.50 113.62 122.58 2dig n SER 39 Ca 0.07 -2.59 0.00 0.00 -1.33 0.00 0.00 58.87 55.02 2dig n SER 39 Cb 0.48 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 2dig n SER 39 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2dig n THR 40 N -0.08 0.00 -1.62 2.46 -1.04 -1.26 -4.84 114.28 107.90 2dig n THR 40 Ca 0.22 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.29 2dig n THR 40 Cb 0.92 -1.26 0.16 0.00 -1.82 0.00 0.00 70.33 68.33 2dig n THR 40 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2dig n SER 41 N -2.87 1.69 -3.22 8.00 7.64 -1.25 -4.96 113.62 118.64 2dig n SER 41 Ca 0.00 -3.44 -0.19 0.00 1.01 0.00 0.00 58.87 56.26 2dig n SER 41 Cb 0.43 -0.47 -0.02 0.00 -1.01 0.00 0.00 64.21 63.15 2dig n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dig n GLN 42 N -0.94 -2.65 -3.62 1.43 1.13 -1.04 -4.89 117.38 106.79 2dig n GLN 42 Ca 0.16 0.29 -0.37 0.00 -1.94 0.00 0.00 57.00 55.14 2dig n GLN 42 Cb 0.74 -4.91 -0.10 0.00 0.11 0.00 0.00 30.24 26.08 2dig n GLN 42 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2dig s LEU 43 N -6.10 4.07 -0.19 1.08 1.43 -1.21 -2.51 118.68 115.26 2dig s LEU 43 Ca 0.32 0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 53.39 2dig s LEU 43 Cb -0.18 -2.13 -0.05 0.00 0.03 0.00 0.00 46.19 43.86 2dig s LEU 43 CO 0.39 0.00 0.15 -0.31 0.23 0.00 0.00 176.35 176.82 2dig s TYR 44 N 1.40 3.44 -0.52 0.29 1.51 0.81 -0.23 117.35 124.04 2dig s TYR 44 Ca 0.08 0.38 -0.23 0.00 -1.01 0.00 0.00 57.07 56.29 2dig s TYR 44 Cb -0.15 -2.16 0.04 0.00 -0.11 0.00 0.00 41.96 39.58 2dig s TYR 44 CO 0.08 0.33 0.86 0.99 -1.11 0.00 0.00 175.55 176.69 2dig s THR 45 N 0.23 4.53 0.22 -0.71 2.01 -0.03 -0.37 115.64 121.51 2dig s THR 45 Ca 0.10 0.16 0.08 0.00 0.31 0.00 0.00 61.69 62.34 2dig s THR 45 Cb -0.11 -4.46 -0.04 0.00 0.01 0.00 0.00 72.50 67.90 2dig s THR 45 CO -0.01 -0.99 0.01 0.68 -0.69 0.00 0.00 174.62 173.62 2dig s VAL 46 N 3.58 3.63 0.04 3.82 -7.23 -0.58 -0.05 120.40 123.62 2dig s VAL 46 Ca 0.27 -1.64 0.09 0.00 -1.81 0.00 0.00 61.98 58.90 2dig s VAL 46 Cb -0.14 -2.88 -0.03 0.00 0.56 0.00 0.00 36.38 33.90 2dig s VAL 46 CO 0.18 -0.23 -0.26 -0.75 -0.31 0.00 0.00 175.10 173.73 2dig s LYS 47 N -3.29 1.81 0.17 4.82 2.20 -0.86 -1.60 119.74 122.99 2dig s LYS 47 Ca 0.29 -1.09 0.05 0.00 -0.36 0.00 0.00 55.97 54.86 2dig s LYS 47 Cb -0.08 -1.97 -0.04 0.00 -1.51 0.00 0.00 37.83 34.24 2dig s LYS 47 CO 0.19 0.51 0.14 0.71 -0.36 0.00 0.00 175.35 176.54 2dig s TYR 48 N -0.79 3.14 0.04 4.03 1.51 0.44 -2.40 117.35 123.32 2dig s TYR 48 Ca 0.11 -0.03 -0.08 0.00 -1.01 0.00 0.00 57.07 56.06 2dig s TYR 48 Cb -0.10 -1.50 -0.02 0.00 -0.11 0.00 0.00 41.96 40.23 2dig s TYR 48 CO 0.02 0.52 1.14 -0.22 -1.11 0.00 0.00 175.55 175.90 2dig h LYS 49 N 2.34 -0.00 -0.96 -0.62 3.64 -1.90 0.61 116.57 119.68 2dig h LYS 49 Ca -0.48 0.00 0.36 0.00 -1.27 0.00 0.00 60.65 59.26 2dig h LYS 49 Cb 1.20 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.90 2dig h LYS 49 CO 0.63 -0.00 0.58 -0.25 -2.27 0.00 0.00 179.45 178.14 2dig n ASP 50 N -3.60 0.21 0.00 4.20 8.00 -1.26 -4.68 116.55 119.43 2dig n ASP 50 Ca 0.01 1.19 0.00 0.00 0.71 0.00 0.00 54.79 56.70 2dig n ASP 50 Cb 0.07 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 2dig n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dig n GLY 51 N -1.32 1.00 3.45 0.44 0.00 0.21 -5.14 105.19 103.83 2dig n GLY 51 Ca 0.31 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 2dig n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dig s THR 52 N -1.94 2.96 -0.11 2.61 2.01 -1.19 -4.89 115.64 115.10 2dig s THR 52 Ca 0.00 -0.76 -0.00 0.00 0.31 0.00 0.00 61.69 61.24 2dig s THR 52 Cb 0.00 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.33 2dig s THR 52 CO 0.00 0.59 -0.09 -1.61 -0.69 0.00 0.00 174.62 172.82 2dig s GLU 53 N -0.66 3.18 0.22 4.92 2.02 -1.26 -0.42 118.70 126.70 2dig s GLU 53 Ca 0.10 -0.60 -0.00 0.00 0.02 0.00 0.00 54.97 54.48 2dig s GLU 53 Cb -0.11 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.42 2dig s GLU 53 CO 0.01 0.40 0.16 -0.51 0.02 0.00 0.00 175.26 175.33 2dig s LEU 54 N -0.11 1.19 -0.29 1.80 1.43 -0.63 -4.98 118.68 117.08 2dig s LEU 54 Ca 0.00 -1.42 -0.04 0.00 -1.03 0.00 0.00 54.13 51.65 2dig s LEU 54 Cb -0.13 0.45 0.03 0.00 0.03 0.00 0.00 46.19 46.57 2dig s LEU 54 CO 0.03 -0.87 0.02 -1.61 0.23 0.00 0.00 176.35 174.14 2dig s GLU 55 N -4.07 2.71 -0.10 1.70 2.02 -1.26 -1.52 118.70 118.17 2dig s GLU 55 Ca 0.39 -1.09 0.02 0.00 0.02 0.00 0.00 54.97 54.31 2dig s GLU 55 Cb 0.06 -3.22 -0.01 0.00 0.10 0.00 0.00 34.13 31.06 2dig s GLU 55 CO 0.14 -0.53 -0.16 -0.51 0.02 0.00 0.00 175.26 174.21 2dig s LEU 56 N 1.35 2.56 0.91 1.80 1.43 0.50 -4.80 118.68 122.43 2dig s LEU 56 Ca -0.02 -0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 52.63 2dig s LEU 56 Cb -0.18 -1.55 0.14 0.00 0.03 0.00 0.00 46.19 44.63 2dig s LEU 56 CO -0.01 0.21 1.15 -0.54 0.23 0.00 0.00 176.35 177.39 2dig s LYS 57 N 0.08 1.05 0.58 1.70 1.02 -1.26 -0.13 119.74 122.78 2dig s LYS 57 Ca -0.07 1.56 0.28 0.00 0.02 0.00 0.00 55.97 57.75 2dig s LYS 57 Cb -0.15 -1.73 1.57 0.00 -0.52 0.00 0.00 37.83 37.00 2dig s LYS 57 CO 0.05 -2.61 2.05 1.49 -0.92 0.00 0.00 175.35 175.41 2dig h GLU 58 N -1.83 0.00 0.10 1.68 4.81 -1.85 -1.75 114.58 115.73 2dig h GLU 58 Ca -0.43 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.57 2dig h GLU 58 Cb 1.27 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 2dig h GLU 58 CO 0.42 0.00 -1.17 -0.97 -0.73 0.00 0.00 179.01 176.56 2dig h ASN 59 N 0.00 0.34 -0.93 1.04 -0.73 -1.89 -3.32 115.58 110.09 2dig h ASN 59 Ca 0.13 -0.86 0.27 0.00 1.87 0.00 0.00 56.30 57.71 2dig h ASN 59 Cb 0.67 -0.11 -0.04 0.00 0.27 0.00 0.00 38.32 39.11 2dig h ASN 59 CO -0.00 1.51 0.68 0.44 -0.37 0.00 0.00 177.43 179.70 2dig h ASP 60 N -0.43 0.00 -3.42 1.15 3.32 -1.66 -3.39 116.42 111.99 2dig h ASP 60 Ca -0.25 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.26 2dig h ASP 60 Cb 1.64 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.16 2dig h ASP 60 CO 0.05 0.00 0.09 -0.63 -1.72 0.00 0.00 179.24 177.04 2dig s ILE 61 N -4.94 4.52 0.04 0.35 1.01 -1.03 -2.73 121.20 118.41 2dig s ILE 61 Ca -0.05 1.50 0.06 0.00 0.00 0.00 0.00 60.65 62.16 2dig s ILE 61 Cb 0.21 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 2dig s ILE 61 CO 0.76 0.52 -0.16 -0.54 0.00 0.00 0.00 174.94 175.52 2dig s LYS 62 N -1.18 1.07 -0.12 2.79 -0.14 -0.15 -4.97 119.74 117.03 2dig s LYS 62 Ca 0.33 -0.82 -0.01 0.00 -1.36 0.00 0.00 55.97 54.11 2dig s LYS 62 Cb -0.21 -1.11 0.03 0.00 -1.68 0.00 0.00 37.83 34.85 2dig s LYS 62 CO 0.23 0.28 -0.05 -1.54 -0.76 0.00 0.00 175.35 173.51 2dig s SER 63 N -1.18 2.23 0.31 2.83 1.04 -1.26 -2.50 113.70 115.18 2dig s SER 63 Ca 0.03 -0.36 0.03 0.00 0.48 0.00 0.00 55.95 56.13 2dig s SER 63 Cb -0.08 -0.75 -0.05 0.00 0.10 0.00 0.00 66.02 65.23 2dig s SER 63 CO 0.01 -0.16 0.09 -0.83 0.98 0.00 0.00 173.24 173.33 2dig s GLY 64 N 1.76 2.04 -1.08 7.32 0.00 -1.26 -5.06 107.32 111.04 2dig s GLY 64 Ca 0.04 -1.86 -0.23 0.00 0.00 0.00 0.00 44.72 42.66 2dig s GLY 64 CO -0.07 -1.74 1.94 2.56 0.00 0.00 0.00 173.10 175.79 2dig s PRO 65 N -3.91 2.52 -0.30 2.90 0.04 -1.26 -4.78 135.00 130.21 2dig s PRO 65 Ca 0.35 -0.85 -0.04 0.00 0.04 0.00 0.00 61.00 60.50 2dig s PRO 65 Cb 0.07 -5.18 0.19 0.00 0.04 0.00 0.00 34.50 29.62 2dig s PRO 65 CO 0.15 -3.76 0.77 0.45 0.04 0.00 0.00 177.00 174.64 2dig s SER 66 N 7.05 -1.08 -0.23 6.66 0.15 -1.26 -5.16 113.70 119.83 2dig s SER 66 Ca 0.69 0.48 -0.27 0.00 0.70 0.00 0.00 55.95 57.55 2dig s SER 66 Cb -0.03 1.83 0.10 0.00 -1.71 0.00 0.00 66.02 66.21 2dig s SER 66 CO 0.08 -0.20 0.86 -0.44 1.20 0.00 0.00 173.24 174.74 2dig s SER 67 N 2.89 -0.58 0.00 5.45 0.01 -1.26 -5.06 113.70 115.15 2dig s SER 67 Ca 0.14 0.99 0.13 0.00 1.31 0.00 0.00 55.95 58.52 2dig s SER 67 Cb -0.11 0.96 0.10 0.00 0.21 0.00 0.00 66.02 67.19 2dig s SER 67 CO -0.20 -0.28 0.92 0.61 0.41 0.00 0.00 173.24 174.70