#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i21 s ILE 4 N 0.00 2.10 -0.12 0.58 1.01 -1.26 -4.89 121.20 118.62 3i21 s ILE 4 Ca 0.00 0.03 -0.25 0.00 0.00 0.00 0.00 60.65 60.43 3i21 s ILE 4 Cb 0.00 -2.97 -0.12 0.00 0.01 0.00 0.00 42.46 39.39 3i21 s ILE 4 CO 0.00 -0.04 0.76 -1.14 0.00 0.00 0.00 174.94 174.52 3i21 n ARG 5 N -3.42 0.00 -3.81 2.79 0.63 -1.26 -4.91 116.66 106.69 3i21 n ARG 5 Ca 0.08 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.64 3i21 n ARG 5 Cb 0.60 -0.89 -0.13 0.00 0.45 0.00 0.00 32.46 32.49 3i21 n ARG 5 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 3i21 s THR 6 N 0.71 3.78 -0.24 5.15 -1.32 -1.26 -4.74 115.64 117.73 3i21 s THR 6 Ca 0.57 -0.63 -0.09 0.00 -1.21 0.00 0.00 61.69 60.34 3i21 s THR 6 Cb -0.81 -2.89 -0.04 0.00 -1.51 0.00 0.00 72.50 67.25 3i21 s THR 6 CO 0.40 0.19 0.11 -0.76 -2.21 0.00 0.00 174.62 172.34 3i21 s LEU 7 N 1.49 3.78 -0.48 9.08 2.01 -1.24 -5.05 118.68 128.28 3i21 s LEU 7 Ca 0.03 -0.03 -0.14 0.00 0.01 0.00 0.00 54.13 54.00 3i21 s LEU 7 Cb -0.16 -2.01 0.10 0.00 0.01 0.00 0.00 46.19 44.12 3i21 s LEU 7 CO 0.01 0.03 0.39 -1.58 1.01 0.00 0.00 176.35 176.21 3i21 s GLN 8 N 1.24 2.85 0.29 1.70 2.00 -1.26 -3.57 119.66 122.90 3i21 s GLN 8 Ca 0.06 -1.52 0.02 0.00 -2.00 0.00 0.00 55.36 51.92 3i21 s GLN 8 Cb -0.14 -4.09 -0.06 0.00 0.80 0.00 0.00 33.01 29.52 3i21 s GLN 8 CO 0.05 -1.12 0.08 0.20 -0.50 0.00 0.00 175.29 174.00 3i21 s GLY 9 N 2.81 1.89 -0.07 2.59 0.00 -1.15 -4.58 107.32 108.79 3i21 s GLY 9 Ca 0.04 -1.93 0.04 0.00 0.00 0.00 0.00 44.72 42.87 3i21 s GLY 9 CO 0.04 -1.68 -0.21 -1.60 0.00 0.00 0.00 173.10 169.64 3i21 s ARG 10 N -3.97 2.49 0.36 2.90 3.52 -1.10 -0.64 118.95 122.51 3i21 s ARG 10 Ca 0.37 -0.77 -0.27 0.00 -0.13 0.00 0.00 55.73 54.93 3i21 s ARG 10 Cb 0.08 -2.00 -0.09 0.00 -1.56 0.00 0.00 34.95 31.38 3i21 s ARG 10 CO 0.14 0.22 1.24 0.08 -0.81 0.00 0.00 175.30 176.18 3i21 s VAL 11 N 0.19 2.93 0.00 7.11 1.01 0.25 -3.53 120.40 128.36 3i21 s VAL 11 Ca -0.11 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.73 3i21 s VAL 11 Cb -0.15 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.70 3i21 s VAL 11 CO 0.06 0.15 0.00 0.55 0.00 0.00 0.00 175.10 175.86 3i21 n VAL 12 N 0.48 0.00 -3.76 2.92 3.14 -0.92 -1.79 118.33 118.40 3i21 n VAL 12 Ca 0.02 0.00 -0.26 0.00 -2.96 0.00 0.00 64.34 61.14 3i21 n VAL 12 Cb 0.44 1.52 -0.17 0.00 -1.06 0.00 0.00 33.84 34.57 3i21 n VAL 12 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3i21 s SER 13 N 0.00 2.36 -0.50 6.55 0.15 -1.20 -4.90 113.70 116.16 3i21 s SER 13 Ca 0.00 -0.51 0.08 0.00 0.70 0.00 0.00 55.95 56.22 3i21 s SER 13 Cb 0.00 -0.55 0.31 0.00 -1.71 0.00 0.00 66.02 64.07 3i21 s SER 13 CO 0.00 -0.25 0.79 -0.67 1.20 0.00 0.00 173.24 174.31 3i21 n ASP 14 N 5.08 2.69 0.01 5.45 4.64 -1.26 -3.10 116.55 130.07 3i21 n ASP 14 Ca -0.08 -3.31 0.00 0.00 -1.38 0.00 0.00 54.79 50.02 3i21 n ASP 14 Cb 0.48 -0.61 0.00 0.00 -1.04 0.00 0.00 41.12 39.96 3i21 n ASP 14 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3i21 n LYS 15 N 0.33 0.00 -1.75 -0.67 4.76 -1.26 -4.93 118.16 114.63 3i21 n LYS 15 Ca 0.28 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.30 3i21 n LYS 15 Cb 0.49 -0.15 -0.01 0.00 -1.84 0.00 0.00 35.03 33.52 3i21 n LYS 15 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3i21 n MET 16 N -2.73 2.69 -1.66 1.97 2.81 -1.24 -4.88 117.12 114.08 3i21 n MET 16 Ca 0.00 0.95 -0.43 0.00 -1.81 0.00 0.00 57.70 56.42 3i21 n MET 16 Cb 0.14 -2.72 -0.03 0.00 -0.71 0.00 0.00 33.22 29.89 3i21 n MET 16 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3i21 n GLU 17 N 1.66 2.82 -1.79 0.03 -0.58 -1.26 -2.10 120.64 119.41 3i21 n GLU 17 Ca 0.06 1.03 -0.18 0.00 -0.42 0.00 0.00 57.16 57.66 3i21 n GLU 17 Cb 0.37 -2.98 -0.05 0.00 -0.57 0.00 0.00 31.44 28.21 3i21 n GLU 17 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3i21 n LYS 18 N 7.46 -1.31 -3.57 3.49 5.02 -1.26 -4.96 118.16 123.03 3i21 n LYS 18 Ca 0.20 1.05 -0.17 0.00 -2.02 0.00 0.00 58.31 57.37 3i21 n LYS 18 Cb 0.40 -5.39 -0.07 0.00 -0.02 0.00 0.00 35.03 29.95 3i21 n LYS 18 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3i21 s SER 19 N -2.61 -0.60 0.31 4.39 1.04 -0.89 -0.42 113.70 114.93 3i21 s SER 19 Ca 0.00 0.69 0.05 0.00 0.48 0.00 0.00 55.95 57.16 3i21 s SER 19 Cb 0.00 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 3i21 s SER 19 CO 0.00 -0.55 0.21 0.27 0.98 0.00 0.00 173.24 174.15 3i21 s ILE 20 N -1.06 0.12 -0.17 -1.02 -0.00 0.12 -3.68 121.20 115.51 3i21 s ILE 20 Ca -0.10 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.55 3i21 s ILE 20 Cb -0.01 -2.49 0.00 0.00 -0.00 0.00 0.00 42.46 39.97 3i21 s ILE 20 CO 0.08 0.00 -0.16 -0.69 -0.00 0.00 0.00 174.94 174.18 3i21 s VAL 21 N -3.58 2.57 -0.26 8.37 1.01 -1.18 0.57 120.40 127.90 3i21 s VAL 21 Ca 0.38 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.57 3i21 s VAL 21 Cb 0.04 -2.09 0.07 0.00 0.00 0.00 0.00 36.38 34.40 3i21 s VAL 21 CO 0.22 0.51 0.00 -0.69 0.00 0.00 0.00 175.10 175.14 3i21 s VAL 22 N 0.98 1.42 0.36 2.92 1.01 -0.06 -2.18 120.40 124.85 3i21 s VAL 22 Ca -0.02 -1.37 -0.26 0.00 0.00 0.00 0.00 61.98 60.32 3i21 s VAL 22 Cb -0.15 -1.84 -0.09 0.00 0.00 0.00 0.00 36.38 34.31 3i21 s VAL 22 CO -0.03 -0.31 1.12 0.00 0.00 0.00 0.00 175.10 175.88 3i21 s ALA 23 N 1.41 3.23 -0.31 5.51 0.00 -1.23 -2.89 121.76 127.48 3i21 s ALA 23 Ca 0.00 0.89 0.01 0.00 0.00 0.00 0.00 51.96 52.87 3i21 s ALA 23 Cb -0.18 -3.34 0.09 0.00 0.00 0.00 0.00 23.12 19.69 3i21 s ALA 23 CO -0.11 -0.34 0.05 0.42 0.00 0.00 0.00 175.76 175.78 3i21 s ILE 24 N -1.39 1.53 0.49 0.00 1.09 -0.28 -2.71 121.20 119.93 3i21 s ILE 24 Ca 0.53 -1.72 -0.08 0.00 -1.10 0.00 0.00 60.65 58.28 3i21 s ILE 24 Cb -0.29 -2.07 0.12 0.00 -1.06 0.00 0.00 42.46 39.16 3i21 s ILE 24 CO 0.37 -0.53 0.46 -0.62 -0.10 0.00 0.00 174.94 174.51 3i21 n GLU 25 N 4.59 -1.72 -1.39 2.79 1.02 -1.26 -2.59 120.64 122.08 3i21 n GLU 25 Ca -0.02 -0.73 0.00 0.00 -0.02 0.00 0.00 57.16 56.39 3i21 n GLU 25 Cb 0.42 -0.66 0.00 0.00 -0.02 0.00 0.00 31.44 31.19 3i21 n GLU 25 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3i21 n ARG 26 N -2.78 0.00 -3.66 3.49 1.85 -1.14 -4.87 116.66 109.55 3i21 n ARG 26 Ca 0.06 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.71 3i21 n ARG 26 Cb 0.24 0.00 -0.18 0.00 -1.05 0.00 0.00 32.46 31.47 3i21 n ARG 26 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3i21 s PHE 27 N -3.04 0.07 -0.21 2.89 0.08 -1.25 -2.53 117.98 113.99 3i21 s PHE 27 Ca 0.00 0.22 0.01 0.00 0.12 0.00 0.00 56.93 57.28 3i21 s PHE 27 Cb 0.00 -0.49 0.04 0.00 -0.57 0.00 0.00 43.02 41.99 3i21 s PHE 27 CO 0.00 -0.22 -0.14 0.54 -0.10 0.00 0.00 175.22 175.29 3i21 s VAL 28 N 2.17 1.95 -0.67 -0.44 0.11 -0.86 -4.92 120.40 117.74 3i21 s VAL 28 Ca 0.05 -1.14 -0.26 0.00 -2.93 0.00 0.00 61.98 57.70 3i21 s VAL 28 Cb -0.12 -1.92 -0.12 0.00 -1.53 0.00 0.00 36.38 32.69 3i21 s VAL 28 CO -0.04 0.27 2.42 1.17 -3.33 0.00 0.00 175.10 175.60 3i21 n LYS 29 N 4.59 0.74 -1.43 1.54 3.00 -1.26 -3.59 118.16 121.75 3i21 n LYS 29 Ca -0.17 -0.43 -0.54 0.00 -0.00 0.00 0.00 58.31 57.17 3i21 n LYS 29 Cb 0.47 -3.45 -0.06 0.00 0.00 0.00 0.00 35.03 31.99 3i21 n LYS 29 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 3i21 n HIS 30 N 16.90 0.25 -0.12 5.64 -0.00 -0.78 -4.73 115.22 132.37 3i21 n HIS 30 Ca 0.44 1.01 -0.08 0.00 -0.00 0.00 0.00 57.72 59.08 3i21 n HIS 30 Cb 0.46 -2.00 -0.06 0.00 -0.00 0.00 0.00 29.99 28.39 3i21 n HIS 30 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3i21 h PRO 31 N 2.26 -0.20 -0.76 1.57 0.11 -1.92 -1.85 132.00 131.22 3i21 h PRO 31 Ca -0.42 0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.17 3i21 h PRO 31 Cb 1.40 0.04 -0.35 0.00 0.11 0.00 0.00 31.00 32.21 3i21 h PRO 31 CO 0.61 -0.13 -0.28 0.44 -0.21 0.00 0.00 178.00 178.43 3i21 n ILE 32 N -4.37 2.82 -0.21 4.15 -5.35 -1.26 -4.49 119.36 110.64 3i21 n ILE 32 Ca -0.02 -3.69 0.00 0.00 -0.27 0.00 0.00 62.75 58.77 3i21 n ILE 32 Cb 0.20 -1.04 0.00 0.00 -1.74 0.00 0.00 39.64 37.07 3i21 n ILE 32 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3i21 n TYR 33 N -0.82 0.00 -3.76 4.28 4.02 -1.22 -5.05 117.16 114.61 3i21 n TYR 33 Ca 0.47 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 58.11 3i21 n TYR 33 Cb 0.89 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 40.25 3i21 n TYR 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i21 n GLY 34 N 0.00 -0.40 3.38 2.72 0.00 -0.70 -4.95 105.19 105.24 3i21 n GLY 34 Ca 0.00 0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3i21 n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i21 s LYS 35 N -6.24 1.94 -0.31 1.61 2.36 -1.26 -4.81 119.74 113.04 3i21 s LYS 35 Ca 0.33 -1.04 -0.24 0.00 -2.55 0.00 0.00 55.97 52.47 3i21 s LYS 35 Cb -0.16 -2.07 0.00 0.00 -1.05 0.00 0.00 37.83 34.56 3i21 s LYS 35 CO 0.81 0.53 0.80 -0.06 1.55 0.00 0.00 175.35 178.98 3i21 s PHE 36 N -0.82 3.20 0.09 4.03 0.08 -1.26 -1.86 117.98 121.44 3i21 s PHE 36 Ca 0.12 0.83 0.07 0.00 0.12 0.00 0.00 56.93 58.07 3i21 s PHE 36 Cb -0.10 -3.24 -0.03 0.00 -0.57 0.00 0.00 43.02 39.08 3i21 s PHE 36 CO 0.03 -0.58 -0.18 0.96 -0.10 0.00 0.00 175.22 175.36 3i21 s ILE 37 N 2.98 1.43 0.29 0.64 -4.36 -1.24 -4.95 121.20 116.00 3i21 s ILE 37 Ca 0.33 -1.46 -0.29 0.00 -0.26 0.00 0.00 60.65 58.97 3i21 s ILE 37 Cb -0.14 -1.35 -0.09 0.00 1.25 0.00 0.00 42.46 42.12 3i21 s ILE 37 CO 0.13 -0.16 1.06 -0.54 0.24 0.00 0.00 174.94 175.66 3i21 s LYS 38 N -1.90 4.62 0.52 0.37 -0.14 -1.25 -2.04 119.74 119.93 3i21 s LYS 38 Ca 0.03 1.69 0.03 0.00 -1.36 0.00 0.00 55.97 56.36 3i21 s LYS 38 Cb -0.10 -3.11 0.03 0.00 -1.68 0.00 0.00 37.83 32.97 3i21 s LYS 38 CO 0.03 0.23 0.23 0.54 -0.76 0.00 0.00 175.35 175.62 3i21 n ARG 39 N 1.06 0.74 -3.83 1.68 3.00 -1.05 -4.90 116.66 113.37 3i21 n ARG 39 Ca -0.00 -3.48 -0.12 0.00 -0.01 0.00 0.00 57.85 54.24 3i21 n ARG 39 Cb 0.46 0.62 -0.10 0.00 0.00 0.00 0.00 32.46 33.44 3i21 n ARG 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 3i21 s THR 40 N -2.72 0.05 -0.30 0.55 -4.23 -1.26 -2.87 115.64 104.86 3i21 s THR 40 Ca 0.17 -0.45 -0.02 0.00 -1.18 0.00 0.00 61.69 60.21 3i21 s THR 40 Cb -0.01 -0.43 0.10 0.00 1.34 0.00 0.00 72.50 73.50 3i21 s THR 40 CO 0.11 -0.25 0.11 -0.89 -0.54 0.00 0.00 174.62 173.17 3i21 s THR 41 N -0.94 0.41 -0.24 3.99 2.01 -1.07 -4.89 115.64 114.92 3i21 s THR 41 Ca -0.10 -1.08 -0.28 0.00 0.31 0.00 0.00 61.69 60.53 3i21 s THR 41 Cb -0.05 -1.33 0.01 0.00 0.01 0.00 0.00 72.50 71.14 3i21 s THR 41 CO 0.02 -0.70 1.00 -0.54 -0.69 0.00 0.00 174.62 173.71 3i21 s LYS 42 N 1.85 4.23 0.16 4.92 1.02 -1.26 -1.12 119.74 129.54 3i21 s LYS 42 Ca 0.09 1.25 0.11 0.00 0.02 0.00 0.00 55.97 57.44 3i21 s LYS 42 Cb -0.17 -3.65 -0.04 0.00 -0.52 0.00 0.00 37.83 33.45 3i21 s LYS 42 CO -0.31 -0.63 -0.24 -0.51 -0.92 0.00 0.00 175.35 172.74 3i21 s LEU 43 N 3.16 2.38 -0.49 3.17 1.02 -1.14 -4.96 118.68 121.83 3i21 s LEU 43 Ca 0.42 -0.81 -0.09 0.00 0.02 0.00 0.00 54.13 53.67 3i21 s LEU 43 Cb -0.15 -1.12 0.12 0.00 0.02 0.00 0.00 46.19 45.07 3i21 s LEU 43 CO 0.07 0.12 0.37 -1.00 0.02 0.00 0.00 176.35 175.92 3i21 s HIS 44 N -1.45 3.43 0.30 0.29 3.76 -1.26 -0.88 115.29 119.47 3i21 s HIS 44 Ca 0.16 -1.89 0.03 0.00 -0.15 0.00 0.00 55.06 53.21 3i21 s HIS 44 Cb -0.09 -3.51 -0.03 0.00 1.11 0.00 0.00 32.58 30.06 3i21 s HIS 44 CO 0.08 -0.99 0.46 0.08 -0.85 0.00 0.00 174.74 173.52 3i21 s VAL 45 N 1.29 5.12 -0.05 -0.90 1.01 0.19 -3.76 120.40 123.29 3i21 s VAL 45 Ca 0.06 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.35 3i21 s VAL 45 Cb -0.26 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.29 3i21 s VAL 45 CO -0.01 -0.44 -0.12 -2.28 0.00 0.00 0.00 175.10 172.25 3i21 s HIS 46 N -2.17 1.37 -0.29 5.22 5.04 0.47 0.16 115.29 125.09 3i21 s HIS 46 Ca 0.38 -0.45 -0.03 0.00 -1.54 0.00 0.00 55.06 53.41 3i21 s HIS 46 Cb -0.09 -0.99 0.11 0.00 0.04 0.00 0.00 32.58 31.65 3i21 s HIS 46 CO 0.33 -0.22 0.16 0.16 -2.34 0.00 0.00 174.74 172.83 3i21 s ASP 47 N 0.46 3.20 0.32 9.88 3.84 0.44 -0.51 116.67 134.30 3i21 s ASP 47 Ca -0.10 -1.25 0.01 0.00 -0.00 0.00 0.00 52.55 51.21 3i21 s ASP 47 Cb -0.13 -0.21 0.53 0.00 -1.38 0.00 0.00 42.92 41.73 3i21 s ASP 47 CO 0.03 -0.42 1.90 -0.33 -0.00 0.00 0.00 175.17 176.35 3i21 h GLU 48 N 8.31 0.76 -1.17 2.11 4.39 -1.94 -0.45 114.58 126.58 3i21 h GLU 48 Ca -0.17 -0.11 0.38 0.00 0.34 0.00 0.00 59.36 59.79 3i21 h GLU 48 Cb 1.02 -0.14 -0.13 0.00 -0.10 0.00 0.00 28.75 29.40 3i21 h GLU 48 CO 0.41 0.63 0.73 -0.91 -1.16 0.00 0.00 179.01 178.71 3i21 h ASN 49 N 0.75 0.35 -2.19 1.42 -0.26 -1.95 -3.45 115.58 110.26 3i21 h ASN 49 Ca 0.18 0.15 -0.39 0.00 -0.56 0.00 0.00 56.30 55.68 3i21 h ASN 49 Cb 0.16 0.12 -0.06 0.00 -1.06 0.00 0.00 38.32 37.48 3i21 h ASN 49 CO -0.02 -0.15 -0.45 0.59 -1.06 0.00 0.00 177.43 176.34 3i21 n ASN 50 N -4.81 -5.47 0.30 5.81 3.02 -0.18 -4.91 115.26 109.03 3i21 n ASN 50 Ca 0.34 0.13 -0.13 0.00 -0.03 0.00 0.00 54.58 54.90 3i21 n ASN 50 Cb 1.22 -4.55 -0.06 0.00 -0.61 0.00 0.00 39.78 35.78 3i21 n ASN 50 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3i21 h GLU 51 N 0.00 -0.77 0.00 3.52 4.39 -1.87 -3.46 114.58 116.39 3i21 h GLU 51 Ca -0.44 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.32 3i21 h GLU 51 Cb 1.31 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.14 3i21 h GLU 51 CO 0.55 -0.50 0.00 0.00 -1.16 0.00 0.00 179.01 177.90 3i21 n GLY 53 N 0.00 0.52 3.77 0.00 0.00 -1.26 -4.88 105.19 103.33 3i21 n GLY 53 Ca 0.00 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 3i21 n GLY 53 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i21 s ILE 54 N 0.00 2.29 0.00 -0.61 2.07 -1.26 -2.93 121.20 120.76 3i21 s ILE 54 Ca 0.00 0.27 0.00 0.00 -1.41 0.00 0.00 60.65 59.51 3i21 s ILE 54 Cb 0.00 -3.17 0.00 0.00 0.13 0.00 0.00 42.46 39.42 3i21 s ILE 54 CO 0.00 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.70 3i21 n GLY 55 N 1.14 2.95 3.46 1.50 0.00 -0.74 -4.99 105.19 108.52 3i21 n GLY 55 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3i21 n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i21 n ASP 56 N 0.17 -1.73 -4.31 1.61 8.00 -1.15 -4.49 116.55 114.65 3i21 n ASP 56 Ca 0.00 -0.14 -0.33 0.00 0.71 0.00 0.00 54.79 55.03 3i21 n ASP 56 Cb 0.00 -1.25 -0.15 0.00 -0.02 0.00 0.00 41.12 39.70 3i21 n ASP 56 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i21 s VAL 57 N -2.40 2.69 0.42 2.53 1.01 -1.04 0.85 120.40 124.46 3i21 s VAL 57 Ca 0.68 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.90 3i21 s VAL 57 Cb -0.25 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 3i21 s VAL 57 CO 0.65 0.54 0.09 0.68 0.00 0.00 0.00 175.10 177.06 3i21 s VAL 58 N 0.38 0.84 -0.18 2.92 -7.23 0.19 -2.48 120.40 114.85 3i21 s VAL 58 Ca -0.13 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.02 3i21 s VAL 58 Cb -0.17 -2.39 0.05 0.00 0.56 0.00 0.00 36.38 34.43 3i21 s VAL 58 CO 0.06 0.00 -0.01 -0.70 -0.31 0.00 0.00 175.10 174.14 3i21 s GLU 59 N -3.77 1.06 0.15 4.82 2.56 -1.02 -2.92 118.70 119.57 3i21 s GLU 59 Ca 0.22 -0.49 0.10 0.00 0.00 0.00 0.00 54.97 54.80 3i21 s GLU 59 Cb 0.03 -2.04 -0.04 0.00 2.00 0.00 0.00 34.13 34.08 3i21 s GLU 59 CO 0.12 -0.53 -0.22 0.96 -0.56 0.00 0.00 175.26 175.03 3i21 s ILE 60 N 1.72 2.54 0.04 -3.70 -0.00 -1.23 -2.38 121.20 118.18 3i21 s ILE 60 Ca -0.01 -1.77 0.08 0.00 -0.00 0.00 0.00 60.65 58.96 3i21 s ILE 60 Cb -0.16 -2.18 -0.03 0.00 -0.00 0.00 0.00 42.46 40.09 3i21 s ILE 60 CO -0.07 0.01 -0.24 0.00 -0.00 0.00 0.00 174.94 174.64 3i21 s ARG 61 N -2.35 1.66 -0.60 0.37 1.70 -0.72 -3.59 118.95 115.41 3i21 s ARG 61 Ca 0.18 -1.01 -0.26 0.00 -0.47 0.00 0.00 55.73 54.17 3i21 s ARG 61 Cb -0.09 -1.78 -0.03 0.00 -0.57 0.00 0.00 34.95 32.48 3i21 s ARG 61 CO 0.09 0.46 1.96 -2.00 -1.08 0.00 0.00 175.30 174.73 3i21 s GLU 62 N -1.11 2.53 0.53 3.89 2.12 -1.26 -2.58 118.70 122.81 3i21 s GLU 62 Ca 0.10 0.71 0.07 0.00 0.36 0.00 0.00 54.97 56.21 3i21 s GLU 62 Cb -0.09 -4.44 0.04 0.00 0.26 0.00 0.00 34.13 29.90 3i21 s GLU 62 CO 0.02 -2.85 0.54 0.00 -0.54 0.00 0.00 175.26 172.43 3i21 n ARG 64 N -1.90 1.89 -1.58 0.00 0.63 -1.26 -4.54 116.66 109.90 3i21 n ARG 64 Ca 0.06 0.67 -0.54 0.00 -0.92 0.00 0.00 57.85 57.12 3i21 n ARG 64 Cb 0.63 -2.24 -0.07 0.00 0.45 0.00 0.00 32.46 31.22 3i21 n ARG 64 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3i21 n PRO 65 N 0.42 1.19 0.06 -0.14 -0.04 -1.26 -4.79 135.00 130.45 3i21 n PRO 65 Ca 0.06 0.40 0.01 0.00 -0.04 0.00 0.00 63.50 63.93 3i21 n PRO 65 Cb 0.37 -2.27 -0.05 0.00 -0.04 0.00 0.00 33.50 31.50 3i21 n PRO 65 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3i21 h LEU 66 N 9.53 0.00 0.00 1.53 3.38 -0.47 -3.49 115.31 125.79 3i21 h LEU 66 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3i21 h LEU 66 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3i21 h LEU 66 CO 0.99 0.53 0.00 -1.54 0.09 0.00 0.00 178.44 178.51 3i21 n SER 67 N -2.97 0.00 -4.61 -0.43 3.41 -0.93 -4.99 113.62 103.10 3i21 n SER 67 Ca -0.06 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.12 3i21 n SER 67 Cb 0.80 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.72 3i21 n SER 67 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3i21 s LYS 68 N -0.02 3.49 -0.33 4.33 2.20 -1.26 -2.18 119.74 125.98 3i21 s LYS 68 Ca 0.00 1.63 0.00 0.00 -0.36 0.00 0.00 55.97 57.24 3i21 s LYS 68 Cb 0.00 -4.17 0.00 0.00 -1.51 0.00 0.00 37.83 32.15 3i21 s LYS 68 CO 0.00 -1.67 0.00 0.25 -0.36 0.00 0.00 175.35 173.57 3i21 n THR 69 N 7.08 0.00 -3.95 3.43 -2.24 -1.26 -4.98 114.28 112.35 3i21 n THR 69 Ca 0.22 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.70 3i21 n THR 69 Cb 0.46 -0.68 -0.14 0.00 -2.10 0.00 0.00 70.33 67.87 3i21 n THR 69 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i21 s LYS 70 N -1.52 1.84 -0.08 -0.78 1.02 -0.92 -4.18 119.74 115.13 3i21 s LYS 70 Ca 0.00 -2.44 0.11 0.00 0.02 0.00 0.00 55.97 53.66 3i21 s LYS 70 Cb 0.00 -3.24 0.19 0.00 -0.52 0.00 0.00 37.83 34.26 3i21 s LYS 70 CO 0.00 -1.08 1.11 0.43 -0.92 0.00 0.00 175.35 174.89 3i21 n SER 71 N 3.36 2.30 -4.11 2.83 7.64 -1.26 0.29 113.62 124.68 3i21 n SER 71 Ca 0.05 -2.63 -0.22 0.00 1.01 0.00 0.00 58.87 57.09 3i21 n SER 71 Cb 0.34 -0.26 -0.15 0.00 -1.01 0.00 0.00 64.21 63.13 3i21 n SER 71 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3i21 s TRP 72 N -2.09 1.22 0.07 1.43 0.52 -1.25 -0.84 118.94 118.00 3i21 s TRP 72 Ca 0.20 -0.25 0.03 0.00 0.02 0.00 0.00 56.10 56.10 3i21 s TRP 72 Cb 0.17 -0.77 -0.03 0.00 -1.15 0.00 0.00 33.47 31.69 3i21 s TRP 72 CO 0.03 -0.01 -0.10 -0.08 0.02 0.00 0.00 176.95 176.81 3i21 s THR 73 N -0.41 0.81 0.09 2.01 -1.32 -1.07 -0.39 115.64 115.36 3i21 s THR 73 Ca 0.05 -1.35 -0.28 0.00 -1.21 0.00 0.00 61.69 58.90 3i21 s THR 73 Cb -0.06 -1.01 -0.06 0.00 -1.51 0.00 0.00 72.50 69.86 3i21 s THR 73 CO -0.00 -0.43 0.87 -0.22 -2.21 0.00 0.00 174.62 172.63 3i21 s LEU 74 N -1.97 4.49 0.00 9.08 2.96 0.33 -1.76 118.68 131.81 3i21 s LEU 74 Ca -0.02 1.64 0.00 0.00 -0.22 0.00 0.00 54.13 55.53 3i21 s LEU 74 Cb -0.07 -3.42 0.00 0.00 0.50 0.00 0.00 46.19 43.20 3i21 s LEU 74 CO 0.00 -0.01 0.18 1.33 -1.32 0.00 0.00 176.35 176.53 3i21 n VAL 75 N 2.71 0.00 0.00 1.68 0.24 -1.00 -4.89 118.33 117.07 3i21 n VAL 75 Ca -0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 3i21 n VAL 75 Cb 0.50 1.32 0.00 0.00 -1.47 0.00 0.00 33.84 34.18 3i21 n VAL 75 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 3i21 n ARG 76 N -0.17 0.00 -3.86 7.34 1.85 -1.23 -5.07 116.66 115.52 3i21 n ARG 76 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.62 3i21 n ARG 76 Cb 0.08 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.44 3i21 n ARG 76 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3i21 s VAL 77 N -2.00 2.37 0.00 8.89 1.01 -1.26 -2.44 120.40 126.98 3i21 s VAL 77 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 61.98 60.46 3i21 s VAL 77 Cb 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.49 3i21 s VAL 77 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.10 175.62 3i21 n VAL 78 N -1.44 0.00 -1.56 2.92 0.31 -1.03 -4.91 118.33 112.63 3i21 n VAL 78 Ca 0.01 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.11 3i21 n VAL 78 Cb 0.63 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.51 3i21 n VAL 78 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i21 n GLU 79 N 0.00 0.76 0.15 5.55 4.71 -1.26 -4.78 120.64 125.76 3i21 n GLU 79 Ca 0.00 -0.49 -0.14 0.00 -0.01 0.00 0.00 57.16 56.52 3i21 n GLU 79 Cb 0.00 -3.58 -0.08 0.00 -1.01 0.00 0.00 31.44 26.77 3i21 n GLU 79 CO 0.00 0.00 0.00 1.57 0.09 0.00 0.00 177.13 178.79 3i21 h LYS 80 N 15.63 -0.31 -3.00 3.49 2.10 -1.96 -2.76 116.57 129.76 3i21 h LYS 80 Ca -0.10 0.02 0.30 0.00 -2.00 0.00 0.00 60.65 58.87 3i21 h LYS 80 Cb 1.12 0.07 -0.13 0.00 -0.90 0.00 0.00 32.23 32.38 3i21 h LYS 80 CO 1.07 -0.12 -0.85 0.00 -2.00 0.00 0.00 179.45 177.55 3i21 n ALA 81 N -2.30 -3.43 -0.31 0.07 0.00 -1.26 -3.79 120.51 109.49 3i21 n ALA 81 Ca -0.09 0.64 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3i21 n ALA 81 Cb 0.19 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3i21 n ALA 81 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05