#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1s s ILE 4 N 0.00 2.65 0.00 0.58 1.01 -1.26 -5.04 121.20 119.14 3i1s s ILE 4 Ca 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 60.65 58.38 3i1s s ILE 4 Cb 0.00 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 40.00 3i1s s ILE 4 CO 0.00 -0.36 0.00 -1.14 0.00 0.00 0.00 174.94 173.44 3i1s n ARG 5 N -0.71 0.00 -4.84 2.79 0.63 -1.26 -4.90 116.66 108.37 3i1s n ARG 5 Ca -0.05 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.55 3i1s n ARG 5 Cb 0.60 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.37 3i1s n ARG 5 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 3i1s s THR 6 N 0.00 2.97 -0.23 5.15 -1.32 -1.26 -4.52 115.64 116.42 3i1s s THR 6 Ca 0.00 -0.71 0.01 0.00 -1.21 0.00 0.00 61.69 59.78 3i1s s THR 6 Cb 0.00 -2.22 0.04 0.00 -1.51 0.00 0.00 72.50 68.81 3i1s s THR 6 CO 0.00 0.54 -0.13 -0.76 -2.21 0.00 0.00 174.62 172.06 3i1s s LEU 7 N 0.13 2.95 -0.97 9.08 2.01 -1.23 -5.01 118.68 125.65 3i1s s LEU 7 Ca -0.07 -1.01 -0.24 0.00 0.01 0.00 0.00 54.13 52.82 3i1s s LEU 7 Cb -0.15 -1.56 0.00 0.00 0.01 0.00 0.00 46.19 44.49 3i1s s LEU 7 CO 0.05 -0.11 1.70 -1.58 1.01 0.00 0.00 176.35 177.41 3i1s s GLN 8 N 1.22 3.09 -0.03 1.70 2.00 -1.26 -3.82 119.66 122.56 3i1s s GLN 8 Ca -0.02 -0.74 0.03 0.00 -2.00 0.00 0.00 55.36 52.64 3i1s s GLN 8 Cb -0.17 -5.22 -0.03 0.00 0.80 0.00 0.00 33.01 28.39 3i1s s GLN 8 CO -0.07 -2.79 -0.12 0.20 -0.50 0.00 0.00 175.29 172.00 3i1s s GLY 9 N 6.44 1.59 -0.18 2.59 0.00 -1.12 -4.60 107.32 112.04 3i1s s GLY 9 Ca 0.58 -0.99 -0.08 0.00 0.00 0.00 0.00 44.72 44.22 3i1s s GLY 9 CO -0.05 -0.80 0.09 -1.60 0.00 0.00 0.00 173.10 170.74 3i1s s ARG 10 N -0.92 4.00 0.57 2.90 3.52 -0.90 -1.19 118.95 126.93 3i1s s ARG 10 Ca 0.13 -0.28 -0.16 0.00 -0.13 0.00 0.00 55.73 55.29 3i1s s ARG 10 Cb -0.11 -3.29 -0.05 0.00 -1.56 0.00 0.00 34.95 29.95 3i1s s ARG 10 CO 0.02 0.33 1.03 0.08 -0.81 0.00 0.00 175.30 175.96 3i1s s VAL 11 N 0.22 4.07 0.00 7.11 1.01 -0.92 -1.78 120.40 130.11 3i1s s VAL 11 Ca 0.06 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.01 3i1s s VAL 11 Cb -0.12 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.76 3i1s s VAL 11 CO -0.00 -0.59 0.23 0.55 0.00 0.00 0.00 175.10 175.28 3i1s n VAL 12 N -1.94 0.00 -3.33 2.92 3.14 -1.06 -2.94 118.33 115.13 3i1s n VAL 12 Ca 0.08 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.37 3i1s n VAL 12 Cb 0.53 0.22 -0.07 0.00 -1.06 0.00 0.00 33.84 33.46 3i1s n VAL 12 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3i1s s SER 13 N -0.05 0.32 -0.91 6.55 0.15 -1.22 -4.95 113.70 113.60 3i1s s SER 13 Ca 0.00 -0.08 -0.01 0.00 0.70 0.00 0.00 55.95 56.56 3i1s s SER 13 Cb 0.00 1.11 0.27 0.00 -1.71 0.00 0.00 66.02 65.69 3i1s s SER 13 CO 0.00 -0.33 1.06 -0.67 1.20 0.00 0.00 173.24 174.50 3i1s n ASP 14 N 5.36 5.01 0.00 5.45 4.64 -1.26 -3.30 116.55 132.45 3i1s n ASP 14 Ca -0.02 -3.32 0.00 0.00 -1.38 0.00 0.00 54.79 50.07 3i1s n ASP 14 Cb 0.50 -1.05 0.00 0.00 -1.04 0.00 0.00 41.12 39.53 3i1s n ASP 14 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3i1s n LYS 15 N 1.54 0.00 -1.36 -0.67 4.76 -1.26 -4.98 118.16 116.19 3i1s n LYS 15 Ca 0.26 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.30 3i1s n LYS 15 Cb 0.37 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.57 3i1s n LYS 15 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3i1s n MET 16 N -0.60 0.26 -1.66 1.97 2.81 -1.25 -4.80 117.12 113.84 3i1s n MET 16 Ca 0.00 0.10 -0.46 0.00 -1.81 0.00 0.00 57.70 55.52 3i1s n MET 16 Cb 0.00 -1.28 -0.04 0.00 -0.71 0.00 0.00 33.22 31.19 3i1s n MET 16 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3i1s n GLU 17 N 0.89 2.08 -1.43 0.03 -0.58 -1.26 -2.69 120.64 117.68 3i1s n GLU 17 Ca 0.10 0.75 -0.11 0.00 -0.42 0.00 0.00 57.16 57.49 3i1s n GLU 17 Cb 0.43 -2.51 -0.04 0.00 -0.57 0.00 0.00 31.44 28.75 3i1s n GLU 17 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3i1s n LYS 18 N 3.34 -1.35 -3.71 3.49 5.02 -1.26 -4.86 118.16 118.82 3i1s n LYS 18 Ca 0.17 0.62 -0.10 0.00 -2.02 0.00 0.00 58.31 56.98 3i1s n LYS 18 Cb 0.28 -4.87 -0.05 0.00 -0.02 0.00 0.00 35.03 30.38 3i1s n LYS 18 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3i1s s SER 19 N -1.92 -0.18 0.24 4.39 1.04 -1.09 -0.19 113.70 115.98 3i1s s SER 19 Ca 0.00 -0.44 -0.01 0.00 0.48 0.00 0.00 55.95 55.99 3i1s s SER 19 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.60 3i1s s SER 19 CO 0.00 -0.89 0.32 2.30 0.98 0.00 0.00 173.24 175.95 3i1s n ILE 20 N -0.24 0.00 -3.85 -1.02 -0.00 -0.10 -3.92 119.36 110.23 3i1s n ILE 20 Ca -0.14 -1.25 -0.29 0.00 -0.00 0.00 0.00 62.75 61.07 3i1s n ILE 20 Cb 0.63 0.75 -0.16 0.00 -0.00 0.00 0.00 39.64 40.87 3i1s n ILE 20 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 3i1s s VAL 21 N -2.71 1.17 0.09 7.28 1.01 -1.21 -2.42 120.40 123.61 3i1s s VAL 21 Ca 0.20 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 61.09 3i1s s VAL 21 Cb -0.00 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 3i1s s VAL 21 CO 0.15 -0.25 0.15 -0.69 0.00 0.00 0.00 175.10 174.45 3i1s s VAL 22 N 1.54 4.91 -0.04 2.92 1.01 -0.76 -2.57 120.40 127.41 3i1s s VAL 22 Ca -0.01 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.37 3i1s s VAL 22 Cb -0.18 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 3i1s s VAL 22 CO -0.10 0.08 -0.24 0.00 0.00 0.00 0.00 175.10 174.84 3i1s s ALA 23 N -1.51 2.04 -0.20 5.51 0.00 -0.73 0.12 121.76 126.98 3i1s s ALA 23 Ca 0.32 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 3i1s s ALA 23 Cb -0.12 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.42 3i1s s ALA 23 CO 0.25 0.43 -0.12 0.42 0.00 0.00 0.00 175.76 176.74 3i1s s ILE 24 N -0.30 2.67 0.89 0.00 1.09 -0.82 -2.12 121.20 122.62 3i1s s ILE 24 Ca 0.01 -0.78 -0.10 0.00 -1.10 0.00 0.00 60.65 58.68 3i1s s ILE 24 Cb -0.12 -2.20 0.20 0.00 -1.06 0.00 0.00 42.46 39.28 3i1s s ILE 24 CO 0.02 0.45 1.22 -0.62 -0.10 0.00 0.00 174.94 175.90 3i1s n GLU 25 N 4.69 -0.83 -3.60 2.79 1.02 -1.25 -0.36 120.64 123.10 3i1s n GLU 25 Ca -0.19 -2.38 0.01 0.00 -0.02 0.00 0.00 57.16 54.58 3i1s n GLU 25 Cb 0.50 -1.10 -0.01 0.00 -0.02 0.00 0.00 31.44 30.81 3i1s n GLU 25 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3i1s s ARG 26 N -5.63 0.25 -0.16 3.49 1.70 -1.16 -4.91 118.95 112.53 3i1s s ARG 26 Ca 0.73 -0.13 -0.01 0.00 -0.47 0.00 0.00 55.73 55.85 3i1s s ARG 26 Cb -0.03 0.09 -0.01 0.00 -0.57 0.00 0.00 34.95 34.43 3i1s s ARG 26 CO 0.50 -0.11 -0.12 -0.06 -1.08 0.00 0.00 175.30 174.43 3i1s s PHE 27 N -2.28 2.84 -0.06 5.89 0.08 -1.26 -2.92 117.98 120.27 3i1s s PHE 27 Ca 0.13 -0.83 0.02 0.00 0.12 0.00 0.00 56.93 56.38 3i1s s PHE 27 Cb 0.04 -1.91 0.01 0.00 -0.57 0.00 0.00 43.02 40.59 3i1s s PHE 27 CO -0.05 -0.36 -0.12 0.54 -0.10 0.00 0.00 175.22 175.13 3i1s s VAL 28 N 0.73 1.11 -0.35 -0.44 0.11 -1.18 -4.97 120.40 115.42 3i1s s VAL 28 Ca -0.05 -0.48 -0.29 0.00 -2.93 0.00 0.00 61.98 58.23 3i1s s VAL 28 Cb -0.15 -1.01 -0.00 0.00 -1.53 0.00 0.00 36.38 33.68 3i1s s VAL 28 CO 0.02 0.35 1.54 -0.75 -3.33 0.00 0.00 175.10 172.92 3i1s s LYS 29 N 0.58 3.58 0.13 1.54 2.47 -1.26 -1.73 119.74 125.05 3i1s s LYS 29 Ca -0.13 1.22 -0.31 0.00 -1.56 0.00 0.00 55.97 55.19 3i1s s LYS 29 Cb -0.15 -4.06 -0.10 0.00 -1.46 0.00 0.00 37.83 32.06 3i1s s LYS 29 CO 0.03 -1.55 1.72 -1.58 0.16 0.00 0.00 175.35 174.13 3i1s s HIS 30 N 5.67 2.53 0.23 4.03 5.65 -0.77 -4.82 115.29 127.81 3i1s s HIS 30 Ca 0.67 0.25 -0.17 0.00 0.25 0.00 0.00 55.06 56.06 3i1s s HIS 30 Cb -0.18 -4.07 0.25 0.00 -1.18 0.00 0.00 32.58 27.40 3i1s s HIS 30 CO 0.31 -4.25 1.55 -1.35 -0.65 0.00 0.00 174.74 170.35 3i1s h PRO 31 N 7.86 -0.01 0.00 2.88 0.11 -1.92 0.29 132.00 141.21 3i1s h PRO 31 Ca -0.44 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 3i1s h PRO 31 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3i1s h PRO 31 CO 0.94 -0.00 -1.72 0.44 -0.21 0.00 0.00 178.00 177.45 3i1s n ILE 32 N -5.48 0.25 -0.51 4.15 -5.35 -1.26 -4.39 119.36 106.77 3i1s n ILE 32 Ca 0.10 -0.39 0.07 0.00 -0.27 0.00 0.00 62.75 62.27 3i1s n ILE 32 Cb 0.41 -0.06 0.23 0.00 -1.74 0.00 0.00 39.64 38.47 3i1s n ILE 32 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3i1s n TYR 33 N -2.13 0.80 -3.69 4.28 4.02 -1.23 -5.00 117.16 114.21 3i1s n TYR 33 Ca -0.08 -0.63 -0.12 0.00 -0.01 0.00 0.00 57.90 57.06 3i1s n TYR 33 Cb 0.53 -0.15 0.00 0.00 -0.02 0.00 0.00 39.34 39.70 3i1s n TYR 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i1s n GLY 34 N 0.34 -0.19 2.97 2.72 0.00 0.10 -4.88 105.19 106.25 3i1s n GLY 34 Ca 0.17 0.08 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 3i1s n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i1s s LYS 35 N -5.41 0.71 0.00 1.61 2.36 -1.24 -4.79 119.74 112.97 3i1s s LYS 35 Ca 0.11 -0.22 -0.30 0.00 -2.55 0.00 0.00 55.97 53.00 3i1s s LYS 35 Cb -0.06 -0.69 -0.06 0.00 -1.05 0.00 0.00 37.83 35.97 3i1s s LYS 35 CO 0.26 0.09 1.43 -0.06 1.55 0.00 0.00 175.35 178.62 3i1s s PHE 36 N 0.17 2.78 -0.01 4.03 0.08 -1.26 -1.85 117.98 121.93 3i1s s PHE 36 Ca -0.02 0.75 0.03 0.00 0.12 0.00 0.00 56.93 57.81 3i1s s PHE 36 Cb -0.07 -3.70 -0.01 0.00 -0.57 0.00 0.00 43.02 38.68 3i1s s PHE 36 CO -0.00 -2.62 -0.08 0.96 -0.10 0.00 0.00 175.22 173.38 3i1s s ILE 37 N 2.50 0.67 1.01 0.64 -4.36 -0.70 -4.94 121.20 116.02 3i1s s ILE 37 Ca 0.65 -0.36 -0.11 0.00 -0.26 0.00 0.00 60.65 60.57 3i1s s ILE 37 Cb -0.32 -0.57 0.18 0.00 1.25 0.00 0.00 42.46 43.00 3i1s s ILE 37 CO 0.27 0.19 1.01 0.29 0.24 0.00 0.00 174.94 176.94 3i1s n LYS 38 N 2.93 -1.13 -3.82 0.37 4.76 -1.26 -3.09 118.16 116.93 3i1s n LYS 38 Ca -0.14 -0.28 -0.08 0.00 -2.87 0.00 0.00 58.31 54.94 3i1s n LYS 38 Cb 0.57 -2.25 -0.03 0.00 -1.84 0.00 0.00 35.03 31.49 3i1s n LYS 38 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3i1s s ARG 39 N -4.44 1.68 -0.11 1.97 6.06 -1.15 -4.92 118.95 118.04 3i1s s ARG 39 Ca 0.66 -0.95 -0.09 0.00 -2.50 0.00 0.00 55.73 52.85 3i1s s ARG 39 Cb -0.23 0.58 0.04 0.00 0.06 0.00 0.00 34.95 35.40 3i1s s ARG 39 CO 0.61 -0.75 0.29 0.95 -2.50 0.00 0.00 175.30 173.90 3i1s s THR 40 N -3.91 -0.01 -0.37 4.11 -4.23 -1.26 -2.98 115.64 106.99 3i1s s THR 40 Ca 0.11 0.05 0.04 0.00 -1.18 0.00 0.00 61.69 60.70 3i1s s THR 40 Cb -0.04 -0.42 0.11 0.00 1.34 0.00 0.00 72.50 73.48 3i1s s THR 40 CO 0.04 0.02 0.09 -0.89 -0.54 0.00 0.00 174.62 173.35 3i1s s THR 41 N 0.55 2.19 -0.27 3.99 2.01 0.51 -4.90 115.64 119.72 3i1s s THR 41 Ca -0.03 -2.44 -0.29 0.00 0.31 0.00 0.00 61.69 59.24 3i1s s THR 41 Cb -0.05 -2.60 0.00 0.00 0.01 0.00 0.00 72.50 69.86 3i1s s THR 41 CO -0.03 -0.65 1.23 -0.54 -0.69 0.00 0.00 174.62 173.94 3i1s s LYS 42 N 0.74 4.03 0.21 4.92 1.02 -1.26 -1.94 119.74 127.47 3i1s s LYS 42 Ca 0.12 1.30 0.06 0.00 0.02 0.00 0.00 55.97 57.47 3i1s s LYS 42 Cb -0.20 -3.81 -0.04 0.00 -0.52 0.00 0.00 37.83 33.26 3i1s s LYS 42 CO -0.08 -0.96 0.18 -0.51 -0.92 0.00 0.00 175.35 173.06 3i1s s LEU 43 N 3.98 3.85 -0.77 3.17 1.02 0.32 -4.96 118.68 125.29 3i1s s LEU 43 Ca 0.53 -0.17 -0.06 0.00 0.02 0.00 0.00 54.13 54.45 3i1s s LEU 43 Cb -0.17 -2.42 0.20 0.00 0.02 0.00 0.00 46.19 43.82 3i1s s LEU 43 CO 0.19 0.01 0.64 -1.00 0.02 0.00 0.00 176.35 176.20 3i1s s HIS 44 N -1.96 3.65 0.32 0.29 3.76 -1.26 -1.82 115.29 118.27 3i1s s HIS 44 Ca 0.32 -2.60 -0.08 0.00 -0.15 0.00 0.00 55.06 52.55 3i1s s HIS 44 Cb -0.09 -3.40 -0.06 0.00 1.11 0.00 0.00 32.58 30.14 3i1s s HIS 44 CO 0.25 -0.86 0.64 0.08 -0.85 0.00 0.00 174.74 173.99 3i1s s VAL 45 N -0.37 4.92 0.01 -0.90 1.01 -1.02 -3.85 120.40 120.21 3i1s s VAL 45 Ca 0.20 0.34 0.08 0.00 0.00 0.00 0.00 61.98 62.60 3i1s s VAL 45 Cb -0.14 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 3i1s s VAL 45 CO -0.07 -0.36 -0.25 -2.28 0.00 0.00 0.00 175.10 172.15 3i1s s HIS 46 N -2.15 2.18 -0.31 5.22 5.65 0.23 -0.93 115.29 125.18 3i1s s HIS 46 Ca 0.47 -0.41 -0.02 0.00 0.25 0.00 0.00 55.06 55.35 3i1s s HIS 46 Cb -0.11 -1.36 0.12 0.00 -1.18 0.00 0.00 32.58 30.05 3i1s s HIS 46 CO 0.29 0.03 0.17 0.16 -0.65 0.00 0.00 174.74 174.74 3i1s s ASP 47 N -0.84 3.14 0.54 9.88 3.84 0.74 -1.17 116.67 132.79 3i1s s ASP 47 Ca 0.10 -1.47 0.22 0.00 -0.00 0.00 0.00 52.55 51.39 3i1s s ASP 47 Cb -0.09 -0.25 1.39 0.00 -1.38 0.00 0.00 42.92 42.59 3i1s s ASP 47 CO 0.00 -0.40 2.09 -0.33 -0.00 0.00 0.00 175.17 176.53 3i1s h GLU 48 N 8.00 0.00 -0.66 2.11 4.39 -1.97 -0.79 114.58 125.67 3i1s h GLU 48 Ca -0.12 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.68 3i1s h GLU 48 Cb 1.01 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.58 3i1s h GLU 48 CO 0.38 0.00 0.29 -0.91 -1.16 0.00 0.00 179.01 177.61 3i1s h ASN 49 N 0.00 0.33 -1.32 1.42 -0.26 -1.93 -3.46 115.58 110.36 3i1s h ASN 49 Ca 0.11 0.07 -0.30 0.00 -0.56 0.00 0.00 56.30 55.63 3i1s h ASN 49 Cb 0.46 0.03 -0.07 0.00 -1.06 0.00 0.00 38.32 37.67 3i1s h ASN 49 CO -0.00 0.19 -0.32 0.59 -1.06 0.00 0.00 177.43 176.83 3i1s n ASN 50 N -4.94 -4.62 0.27 5.81 3.02 -0.30 -4.91 115.26 109.59 3i1s n ASN 50 Ca 0.10 0.19 -0.15 0.00 -0.03 0.00 0.00 54.58 54.69 3i1s n ASN 50 Cb 0.29 -3.57 -0.08 0.00 -0.61 0.00 0.00 39.78 35.80 3i1s n ASN 50 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3i1s h GLU 51 N 0.00 -0.65 0.00 3.52 4.39 -1.89 -3.44 114.58 116.50 3i1s h GLU 51 Ca -0.32 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.42 3i1s h GLU 51 Cb 1.09 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 3i1s h GLU 51 CO 0.43 -0.36 0.00 0.00 -1.16 0.00 0.00 179.01 177.92 3i1s n GLY 53 N 0.00 -2.93 3.76 0.00 0.00 -1.26 -4.86 105.19 99.90 3i1s n GLY 53 Ca 0.00 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 3i1s n GLY 53 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i1s s ILE 54 N -0.02 2.90 0.00 -0.61 2.07 -1.26 -2.92 121.20 121.36 3i1s s ILE 54 Ca -0.00 0.59 0.00 0.00 -1.41 0.00 0.00 60.65 59.83 3i1s s ILE 54 Cb 0.00 -3.26 0.00 0.00 0.13 0.00 0.00 42.46 39.33 3i1s s ILE 54 CO 0.01 -0.09 0.00 0.61 -1.91 0.00 0.00 174.94 173.55 3i1s n GLY 55 N 0.37 0.80 3.94 1.50 0.00 -1.15 -4.98 105.19 105.68 3i1s n GLY 55 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3i1s n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i1s s ASP 56 N -2.87 3.45 -0.10 1.61 1.11 -1.15 -4.76 116.67 113.95 3i1s s ASP 56 Ca 0.00 0.19 0.01 0.00 0.18 0.00 0.00 52.55 52.92 3i1s s ASP 56 Cb 0.00 -0.32 0.02 0.00 1.07 0.00 0.00 42.92 43.69 3i1s s ASP 56 CO 0.00 -2.51 -0.11 -0.69 1.18 0.00 0.00 175.17 173.04 3i1s s VAL 57 N -3.73 1.17 0.14 -1.27 1.01 -1.20 -2.16 120.40 114.36 3i1s s VAL 57 Ca 0.72 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.29 3i1s s VAL 57 Cb -0.05 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 3i1s s VAL 57 CO 0.51 0.38 0.05 1.33 0.00 0.00 0.00 175.10 177.37 3i1s n VAL 58 N 4.50 0.00 -3.79 2.92 0.24 -0.33 0.16 118.33 122.02 3i1s n VAL 58 Ca -0.17 -0.81 -0.13 0.00 -2.04 0.00 0.00 64.34 61.20 3i1s n VAL 58 Cb 0.51 0.30 -0.13 0.00 -1.47 0.00 0.00 33.84 33.05 3i1s n VAL 58 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3i1s s GLU 59 N -2.52 0.18 0.15 7.34 2.56 -0.55 -2.80 118.70 123.05 3i1s s GLU 59 Ca 0.07 0.29 -0.01 0.00 0.00 0.00 0.00 54.97 55.32 3i1s s GLU 59 Cb 0.00 0.03 -0.04 0.00 2.00 0.00 0.00 34.13 36.13 3i1s s GLU 59 CO 0.05 -0.06 0.07 0.96 -0.56 0.00 0.00 175.26 175.73 3i1s s ILE 60 N 0.38 0.08 -0.03 -3.70 -0.00 -1.25 -0.84 121.20 115.84 3i1s s ILE 60 Ca -0.02 -1.93 0.01 0.00 -0.00 0.00 0.00 60.65 58.71 3i1s s ILE 60 Cb -0.04 -2.15 0.02 0.00 -0.00 0.00 0.00 42.46 40.29 3i1s s ILE 60 CO -0.02 -0.35 -0.04 0.00 -0.00 0.00 0.00 174.94 174.53 3i1s s ARG 61 N -4.07 0.68 -0.28 0.37 1.70 -0.84 -3.48 118.95 113.03 3i1s s ARG 61 Ca 0.28 -0.10 -0.30 0.00 -0.47 0.00 0.00 55.73 55.13 3i1s s ARG 61 Cb 0.07 -0.70 -0.07 0.00 -0.57 0.00 0.00 34.95 33.68 3i1s s ARG 61 CO 0.04 -0.04 2.23 -1.91 -1.08 0.00 0.00 175.30 174.54 3i1s n GLU 62 N 3.79 1.62 -0.75 3.89 2.13 -1.26 -2.46 120.64 127.60 3i1s n GLU 62 Ca -0.23 0.43 0.00 0.00 0.66 0.00 0.00 57.16 58.02 3i1s n GLU 62 Cb 0.52 -2.98 0.00 0.00 0.27 0.00 0.00 31.44 29.25 3i1s n GLU 62 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i1s s ARG 64 N -0.38 3.46 -0.40 0.00 3.52 -1.26 -4.74 118.95 119.15 3i1s s ARG 64 Ca 0.00 1.68 -0.35 0.00 -0.13 0.00 0.00 55.73 56.94 3i1s s ARG 64 Cb 0.00 -2.13 -0.12 0.00 -1.56 0.00 0.00 34.95 31.14 3i1s s ARG 64 CO 0.00 -0.78 2.23 -0.35 -0.81 0.00 0.00 175.30 175.60 3i1s n PRO 65 N -1.06 0.98 0.14 5.12 -0.04 -1.26 -4.76 135.00 134.13 3i1s n PRO 65 Ca 0.10 0.25 0.06 0.00 -0.04 0.00 0.00 63.50 63.87 3i1s n PRO 65 Cb 0.50 -2.45 0.05 0.00 -0.04 0.00 0.00 33.50 31.56 3i1s n PRO 65 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3i1s h LEU 66 N 12.76 0.00 0.00 1.53 3.38 -1.07 -3.49 115.31 128.42 3i1s h LEU 66 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3i1s h LEU 66 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3i1s h LEU 66 CO 1.05 0.32 0.00 -1.54 0.09 0.00 0.00 178.44 178.36 3i1s n SER 67 N -3.09 0.00 -4.68 -0.43 3.41 -1.10 -4.97 113.62 102.76 3i1s n SER 67 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.20 3i1s n SER 67 Cb 0.67 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.59 3i1s n SER 67 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3i1s s LYS 68 N -2.00 4.18 -0.26 4.33 2.20 -1.26 -2.06 119.74 124.88 3i1s s LYS 68 Ca 0.00 2.36 0.00 0.00 -0.36 0.00 0.00 55.97 57.97 3i1s s LYS 68 Cb 0.00 -3.75 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 3i1s s LYS 68 CO 0.00 -0.79 0.00 0.25 -0.36 0.00 0.00 175.35 174.45 3i1s n THR 69 N 4.99 0.00 -3.77 3.43 -2.24 -1.26 -5.01 114.28 110.41 3i1s n THR 69 Ca 0.17 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.65 3i1s n THR 69 Cb 0.41 -0.54 -0.15 0.00 -2.10 0.00 0.00 70.33 67.95 3i1s n THR 69 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i1s s LYS 70 N -1.46 0.84 -0.08 -0.78 1.02 -0.87 -4.23 119.74 114.17 3i1s s LYS 70 Ca 0.00 -1.08 0.14 0.00 0.02 0.00 0.00 55.97 55.05 3i1s s LYS 70 Cb 0.00 -2.15 0.29 0.00 -0.52 0.00 0.00 37.83 35.44 3i1s s LYS 70 CO 0.00 -0.92 1.13 0.43 -0.92 0.00 0.00 175.35 175.07 3i1s n SER 71 N 4.80 1.23 -3.91 2.83 7.64 -1.25 -0.40 113.62 124.55 3i1s n SER 71 Ca -0.03 -2.72 -0.14 0.00 1.01 0.00 0.00 58.87 56.99 3i1s n SER 71 Cb 0.43 -0.36 -0.14 0.00 -1.01 0.00 0.00 64.21 63.12 3i1s n SER 71 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3i1s s TRP 72 N -1.45 0.25 0.04 1.43 0.52 -1.25 -1.29 118.94 117.19 3i1s s TRP 72 Ca 0.26 -0.05 0.07 0.00 0.02 0.00 0.00 56.10 56.41 3i1s s TRP 72 Cb 0.26 -0.17 -0.02 0.00 -1.15 0.00 0.00 33.47 32.39 3i1s s TRP 72 CO -0.06 -0.01 -0.21 -0.08 0.02 0.00 0.00 176.95 176.62 3i1s s THR 73 N -0.03 1.68 0.30 2.01 -1.32 -1.03 0.74 115.64 117.99 3i1s s THR 73 Ca 0.01 -1.18 -0.29 0.00 -1.21 0.00 0.00 61.69 59.01 3i1s s THR 73 Cb -0.01 -1.45 -0.10 0.00 -1.51 0.00 0.00 72.50 69.42 3i1s s THR 73 CO -0.00 0.23 1.21 -0.22 -2.21 0.00 0.00 174.62 173.63 3i1s s LEU 74 N -1.13 4.49 -0.10 9.08 2.96 -0.32 -1.98 118.68 131.67 3i1s s LEU 74 Ca 0.08 2.48 0.05 0.00 -0.22 0.00 0.00 54.13 56.52 3i1s s LEU 74 Cb -0.09 -3.64 -0.09 0.00 0.50 0.00 0.00 46.19 42.87 3i1s s LEU 74 CO 0.02 -0.35 -0.03 1.33 -1.32 0.00 0.00 176.35 176.00 3i1s n VAL 75 N 1.03 0.63 -3.61 1.68 0.24 -0.02 -4.90 118.33 113.38 3i1s n VAL 75 Ca -0.00 -0.32 -0.01 0.00 -2.04 0.00 0.00 64.34 61.97 3i1s n VAL 75 Cb 0.43 -0.83 -0.01 0.00 -1.47 0.00 0.00 33.84 31.96 3i1s n VAL 75 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i1s s ARG 76 N -2.22 0.13 0.16 7.34 1.70 -1.19 -5.04 118.95 119.83 3i1s s ARG 76 Ca -0.09 -0.06 0.07 0.00 -0.47 0.00 0.00 55.73 55.18 3i1s s ARG 76 Cb 0.03 0.05 -0.04 0.00 -0.57 0.00 0.00 34.95 34.42 3i1s s ARG 76 CO 0.32 -0.06 -0.01 0.08 -1.08 0.00 0.00 175.30 174.55 3i1s s VAL 77 N -2.16 3.70 0.00 4.99 1.01 -1.26 -1.49 120.40 125.19 3i1s s VAL 77 Ca 0.12 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 60.72 3i1s s VAL 77 Cb 0.02 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.56 3i1s s VAL 77 CO -0.04 -0.07 0.00 0.52 0.00 0.00 0.00 175.10 175.51 3i1s n VAL 78 N 0.01 0.00 -1.43 2.92 0.31 0.42 -4.94 118.33 115.62 3i1s n VAL 78 Ca -0.10 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.08 3i1s n VAL 78 Cb 0.55 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.34 3i1s n VAL 78 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i1s n GLU 79 N 0.00 0.15 0.19 5.55 4.71 -1.25 -4.49 120.64 125.49 3i1s n GLU 79 Ca 0.00 -0.38 -0.15 0.00 -0.01 0.00 0.00 57.16 56.62 3i1s n GLU 79 Cb 0.00 -1.95 -0.08 0.00 -1.01 0.00 0.00 31.44 28.40 3i1s n GLU 79 CO 0.00 0.00 0.00 1.57 0.09 0.00 0.00 177.13 178.79 3i1s h LYS 80 N 11.12 -0.70 -2.77 3.49 2.10 -1.92 -3.16 116.57 124.73 3i1s h LYS 80 Ca 0.02 0.05 0.30 0.00 -2.00 0.00 0.00 60.65 59.02 3i1s h LYS 80 Cb 1.06 0.16 -0.10 0.00 -0.90 0.00 0.00 32.23 32.45 3i1s h LYS 80 CO 1.30 -0.47 -0.61 0.00 -2.00 0.00 0.00 179.45 177.68 3i1s n ALA 81 N -2.74 -3.42 -0.81 0.07 0.00 -1.26 -3.70 120.51 108.65 3i1s n ALA 81 Ca -0.09 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3i1s n ALA 81 Cb 0.38 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3i1s n ALA 81 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05