#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hb3 n ILE 2 N 0.00 0.00 -4.25 5.18 -6.64 -1.26 -5.06 119.36 107.33 3hb3 n ILE 2 Ca 0.00 -0.63 -0.14 0.00 -1.77 0.00 0.00 62.75 60.21 3hb3 n ILE 2 Cb 0.00 -1.34 -0.10 0.00 -1.44 0.00 0.00 39.64 36.76 3hb3 n ILE 2 CO 0.00 0.00 0.00 -1.83 -1.77 0.00 0.00 176.55 172.95 3hb3 s GLU 3 N -5.52 1.05 -0.01 6.28 -1.05 -1.26 -4.71 118.70 113.49 3hb3 s GLU 3 Ca 0.69 -1.44 0.03 0.00 -0.15 0.00 0.00 54.97 54.10 3hb3 s GLU 3 Cb -0.05 -0.61 -0.01 0.00 -0.44 0.00 0.00 34.13 33.02 3hb3 s GLU 3 CO 0.51 0.07 -0.10 -0.51 0.95 0.00 0.00 175.26 176.19 3hb3 s LEU 4 N -3.15 1.98 -0.08 1.83 1.43 -1.26 -1.60 118.68 117.83 3hb3 s LEU 4 Ca 0.16 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 3hb3 s LEU 4 Cb 0.02 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.73 3hb3 s LEU 4 CO 0.00 0.11 -0.19 -0.89 0.23 0.00 0.00 176.35 175.62 3hb3 s THR 5 N -0.17 1.63 -0.07 5.49 2.01 0.22 -4.52 115.64 120.24 3hb3 s THR 5 Ca 0.03 -0.78 0.05 0.00 0.31 0.00 0.00 61.69 61.30 3hb3 s THR 5 Cb -0.05 -1.43 -0.01 0.00 0.01 0.00 0.00 72.50 71.02 3hb3 s THR 5 CO -0.00 0.46 -0.21 -1.58 -0.69 0.00 0.00 174.62 172.60 3hb3 s GLN 6 N 0.43 2.70 0.06 4.92 0.74 -1.26 -0.63 119.66 126.62 3hb3 s GLN 6 Ca -0.15 -0.83 -0.05 0.00 0.05 0.00 0.00 55.36 54.37 3hb3 s GLN 6 Cb -0.16 -2.29 -0.02 0.00 1.10 0.00 0.00 33.01 31.64 3hb3 s GLN 6 CO 0.06 0.39 0.10 0.95 -0.55 0.00 0.00 175.29 176.24 3hb3 s THR 7 N -0.16 0.16 0.69 -0.34 -4.23 -0.46 -4.19 115.64 107.10 3hb3 s THR 7 Ca -0.03 -1.35 -0.13 0.00 -1.18 0.00 0.00 61.69 59.01 3hb3 s THR 7 Cb -0.14 -1.26 0.01 0.00 1.34 0.00 0.00 72.50 72.45 3hb3 s THR 7 CO 0.04 -0.74 1.08 -2.16 -0.54 0.00 0.00 174.62 172.29 3hb3 s PRO 8 N -3.50 2.77 0.50 3.99 0.04 -1.26 -0.54 135.00 136.99 3hb3 s PRO 8 Ca 0.03 1.17 0.19 0.00 0.04 0.00 0.00 61.00 62.43 3hb3 s PRO 8 Cb 0.04 -1.96 1.25 0.00 0.04 0.00 0.00 34.50 33.87 3hb3 s PRO 8 CO -0.09 -1.25 2.03 0.28 0.04 0.00 0.00 177.00 178.01 3hb3 h VAL 9 N -0.44 0.85 -2.30 -0.36 2.07 -1.82 -3.41 116.25 110.84 3hb3 h VAL 9 Ca -0.45 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 3hb3 h VAL 9 Cb 1.23 0.70 -0.18 0.00 -1.52 0.00 0.00 31.29 31.52 3hb3 h VAL 9 CO 0.55 0.02 0.12 -0.94 0.02 0.00 0.00 177.57 177.34 3hb3 s SER 10 N -6.42 -0.57 -0.10 0.57 1.04 -1.26 -1.93 113.70 105.03 3hb3 s SER 10 Ca -0.06 0.52 -0.30 0.00 0.48 0.00 0.00 55.95 56.60 3hb3 s SER 10 Cb 0.19 0.51 0.07 0.00 0.10 0.00 0.00 66.02 66.89 3hb3 s SER 10 CO 0.72 -0.64 0.69 -1.48 0.98 0.00 0.00 173.24 173.51 3hb3 s LEU 11 N -1.44 -0.67 -0.09 2.42 2.34 0.09 -4.93 118.68 116.40 3hb3 s LEU 11 Ca -0.10 0.87 -0.01 0.00 0.06 0.00 0.00 54.13 54.96 3hb3 s LEU 11 Cb -0.01 2.52 -0.03 0.00 -0.56 0.00 0.00 46.19 48.11 3hb3 s LEU 11 CO 0.06 -0.53 -0.05 -0.44 -1.06 0.00 0.00 176.35 174.33 3hb3 s SER 12 N -0.85 4.79 0.16 1.48 0.01 -1.26 -0.69 113.70 117.34 3hb3 s SER 12 Ca -0.09 -0.01 0.02 0.00 1.31 0.00 0.00 55.95 57.18 3hb3 s SER 12 Cb -0.01 -1.37 -0.01 0.00 0.21 0.00 0.00 66.02 64.84 3hb3 s SER 12 CO 0.08 0.32 0.18 0.00 0.41 0.00 0.00 173.24 174.23 3hb3 n ALA 13 N 2.50 0.13 -2.32 1.44 0.00 -0.48 -4.83 120.51 116.95 3hb3 n ALA 13 Ca -0.18 -0.87 -0.17 0.00 0.00 0.00 0.00 53.44 52.22 3hb3 n ALA 13 Cb 0.53 0.71 -0.10 0.00 0.00 0.00 0.00 19.45 20.58 3hb3 n ALA 13 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hb3 s SER 14 N -2.09 2.14 0.23 0.00 1.04 -1.26 0.25 113.70 114.01 3hb3 s SER 14 Ca 0.17 -1.08 -0.31 0.00 0.48 0.00 0.00 55.95 55.21 3hb3 s SER 14 Cb 0.00 -0.06 -0.14 0.00 0.10 0.00 0.00 66.02 65.92 3hb3 s SER 14 CO 0.12 -0.33 1.24 0.52 0.98 0.00 0.00 173.24 175.78 3hb3 n VAL 15 N -0.35 1.17 0.00 5.02 0.31 -1.26 -2.77 118.33 120.45 3hb3 n VAL 15 Ca -0.08 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 3hb3 n VAL 15 Cb 0.62 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 3hb3 n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hb3 n GLY 16 N 1.86 3.04 3.94 2.92 0.00 0.28 -4.87 105.19 112.36 3hb3 n GLY 16 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3hb3 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hb3 s GLU 17 N -0.90 0.42 -0.02 1.61 2.02 -1.11 -4.05 118.70 116.67 3hb3 s GLU 17 Ca 0.00 -0.54 0.03 0.00 0.02 0.00 0.00 54.97 54.48 3hb3 s GLU 17 Cb 0.00 -1.84 -0.00 0.00 0.10 0.00 0.00 34.13 32.39 3hb3 s GLU 17 CO 0.00 -2.54 -0.09 0.99 0.02 0.00 0.00 175.26 173.64 3hb3 s THR 18 N -3.92 0.76 0.13 3.63 2.01 -1.26 -1.03 115.64 115.96 3hb3 s THR 18 Ca 0.76 -0.37 -0.01 0.00 0.31 0.00 0.00 61.69 62.39 3hb3 s THR 18 Cb -0.02 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 3hb3 s THR 18 CO 0.53 0.23 0.04 0.68 -0.69 0.00 0.00 174.62 175.42 3hb3 s VAL 19 N 0.06 0.20 -0.02 3.82 -7.23 -0.97 -5.00 120.40 111.27 3hb3 s VAL 19 Ca -0.01 -1.91 -0.01 0.00 -1.81 0.00 0.00 61.98 58.24 3hb3 s VAL 19 Cb -0.07 -2.02 0.01 0.00 0.56 0.00 0.00 36.38 34.86 3hb3 s VAL 19 CO 0.00 -0.51 0.04 -0.89 -0.31 0.00 0.00 175.10 173.43 3hb3 s THR 20 N -3.98 -0.01 -0.00 5.32 2.01 -1.26 -1.45 115.64 116.27 3hb3 s THR 20 Ca 0.23 0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.32 3hb3 s THR 20 Cb 0.07 -0.07 -0.01 0.00 0.01 0.00 0.00 72.50 72.50 3hb3 s THR 20 CO 0.01 0.02 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.18 3hb3 s ILE 21 N 0.22 1.19 0.04 1.82 1.01 0.85 -4.78 121.20 121.55 3hb3 s ILE 21 Ca -0.02 -0.70 0.09 0.00 0.00 0.00 0.00 60.65 60.02 3hb3 s ILE 21 Cb -0.03 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 3hb3 s ILE 21 CO -0.01 0.29 -0.25 -0.89 0.00 0.00 0.00 174.94 174.09 3hb3 s THR 22 N -0.43 1.98 -0.04 2.92 2.01 0.30 -0.22 115.64 122.16 3hb3 s THR 22 Ca 0.05 -1.30 0.03 0.00 0.31 0.00 0.00 61.69 60.78 3hb3 s THR 22 Cb -0.06 -1.70 0.01 0.00 0.01 0.00 0.00 72.50 70.76 3hb3 s THR 22 CO -0.00 0.34 -0.11 0.00 -0.69 0.00 0.00 174.62 174.15 3hb3 s ARG 24 N 0.36 1.77 0.10 0.00 3.52 0.20 -0.80 118.95 124.11 3hb3 s ARG 24 Ca -0.07 -0.52 -0.06 0.00 -0.13 0.00 0.00 55.73 54.95 3hb3 s ARG 24 Cb -0.12 -1.49 -0.05 0.00 -1.56 0.00 0.00 34.95 31.73 3hb3 s ARG 24 CO 0.02 0.14 0.36 0.00 -0.81 0.00 0.00 175.30 175.00 3hb3 s ALA 25 N 0.33 3.80 -1.76 6.12 0.00 -0.23 -0.61 121.76 129.41 3hb3 s ALA 25 Ca -0.09 -0.53 0.24 0.00 0.00 0.00 0.00 51.96 51.57 3hb3 s ALA 25 Cb -0.13 -2.14 1.32 0.00 0.00 0.00 0.00 23.12 22.17 3hb3 s ALA 25 CO 0.03 0.65 1.78 -1.13 0.00 0.00 0.00 175.76 177.09 3hb3 n SER 26 N 0.46 0.00 -3.59 0.00 3.41 -0.63 -4.78 113.62 108.50 3hb3 n SER 26 Ca -0.05 -0.46 -0.12 0.00 -0.26 0.00 0.00 58.87 57.98 3hb3 n SER 26 Cb 0.52 -0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 64.29 3hb3 n SER 26 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3hb3 s GLU 27 N -2.24 0.68 -0.21 4.33 2.02 -1.26 -4.96 118.70 117.06 3hb3 s GLU 27 Ca 0.30 0.38 -0.37 0.00 0.02 0.00 0.00 54.97 55.30 3hb3 s GLU 27 Cb 0.16 0.33 -0.14 0.00 0.10 0.00 0.00 34.13 34.58 3hb3 s GLU 27 CO 0.31 -0.17 1.84 -1.71 0.02 0.00 0.00 175.26 175.55 3hb3 n ASN 28 N 1.38 2.79 -0.36 -0.19 5.15 -1.26 -4.72 115.26 118.06 3hb3 n ASN 28 Ca -0.13 0.97 0.04 0.00 -0.60 0.00 0.00 54.58 54.87 3hb3 n ASN 28 Cb 0.57 -1.24 0.04 0.00 -0.53 0.00 0.00 39.78 38.62 3hb3 n ASN 28 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3hb3 n ILE 29 N 5.08 0.02 0.00 -1.44 -5.35 0.31 -4.98 119.36 113.00 3hb3 n ILE 29 Ca 0.26 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 3hb3 n ILE 29 Cb 0.20 1.17 0.00 0.00 -1.74 0.00 0.00 39.64 39.27 3hb3 n ILE 29 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3hb3 n TYR 30 N 0.50 0.00 1.03 4.28 4.01 -1.24 -3.18 117.16 122.56 3hb3 n TYR 30 Ca 0.05 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.90 3hb3 n TYR 30 Cb 0.23 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.29 3hb3 n TYR 30 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3hb3 n SER 31 N 7.70 1.34 -3.32 7.72 3.41 -1.26 -1.07 113.62 128.15 3hb3 n SER 31 Ca 0.00 -1.10 -0.39 0.00 -0.26 0.00 0.00 58.87 57.12 3hb3 n SER 31 Cb 0.00 0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 64.53 3hb3 n SER 31 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3hb3 n TYR 32 N -0.83 2.45 -4.86 7.33 4.01 -1.19 -0.24 117.16 123.83 3hb3 n TYR 32 Ca 0.07 -3.10 -0.29 0.00 -0.16 0.00 0.00 57.90 54.42 3hb3 n TYR 32 Cb 0.39 -2.50 -0.17 0.00 -0.31 0.00 0.00 39.34 36.75 3hb3 n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3hb3 s LEU 33 N 0.23 1.91 0.26 7.72 2.96 -1.26 -1.48 118.68 129.01 3hb3 s LEU 33 Ca 0.69 -0.47 0.06 0.00 -0.22 0.00 0.00 54.13 54.20 3hb3 s LEU 33 Cb 0.18 -1.20 -0.03 0.00 0.50 0.00 0.00 46.19 45.64 3hb3 s LEU 33 CO -0.06 0.09 0.26 0.00 -1.32 0.00 0.00 176.35 175.32 3hb3 s ALA 34 N 0.58 3.73 0.09 5.97 0.00 0.22 -0.91 121.76 131.44 3hb3 s ALA 34 Ca -0.15 -1.39 0.09 0.00 0.00 0.00 0.00 51.96 50.52 3hb3 s ALA 34 Cb -0.17 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 3hb3 s ALA 34 CO 0.05 0.22 -0.24 -1.58 0.00 0.00 0.00 175.76 174.21 3hb3 s TRP 35 N -2.11 2.04 0.00 0.00 0.52 -0.97 -0.26 118.94 118.16 3hb3 s TRP 35 Ca 0.34 -0.40 0.00 0.00 0.02 0.00 0.00 56.10 56.07 3hb3 s TRP 35 Cb -0.08 -1.15 -0.00 0.00 -1.15 0.00 0.00 33.47 31.08 3hb3 s TRP 35 CO 0.26 0.20 -0.02 0.71 0.02 0.00 0.00 176.95 178.13 3hb3 s TYR 36 N -0.98 0.14 -0.11 -1.98 1.51 -0.24 -0.69 117.35 114.99 3hb3 s TYR 36 Ca 0.10 -0.09 -0.01 0.00 -1.01 0.00 0.00 57.07 56.06 3hb3 s TYR 36 Cb -0.10 -0.09 -0.03 0.00 -0.11 0.00 0.00 41.96 41.64 3hb3 s TYR 36 CO 0.04 -0.02 -0.05 -1.14 -1.11 0.00 0.00 175.55 173.26 3hb3 s GLN 37 N -0.23 3.17 -0.13 -0.62 0.74 0.42 -2.19 119.66 120.82 3hb3 s GLN 37 Ca -0.02 -0.53 0.00 0.00 0.05 0.00 0.00 55.36 54.87 3hb3 s GLN 37 Cb -0.02 -2.74 0.02 0.00 1.10 0.00 0.00 33.01 31.38 3hb3 s GLN 37 CO -0.00 0.48 -0.12 -1.14 -0.55 0.00 0.00 175.29 173.96 3hb3 s GLN 38 N -0.30 1.99 0.38 1.67 0.74 0.67 0.14 119.66 124.95 3hb3 s GLN 38 Ca 0.05 -0.44 0.03 0.00 0.05 0.00 0.00 55.36 55.05 3hb3 s GLN 38 Cb -0.13 -1.87 -0.01 0.00 1.10 0.00 0.00 33.01 32.10 3hb3 s GLN 38 CO 0.02 -0.22 0.56 0.15 -0.55 0.00 0.00 175.29 175.25 3hb3 s LYS 39 N 1.49 3.12 0.04 1.67 1.02 -1.26 -1.11 119.74 124.72 3hb3 s LYS 39 Ca 0.03 -0.74 -0.34 0.00 0.02 0.00 0.00 55.97 54.94 3hb3 s LYS 39 Cb -0.13 -2.70 -0.12 0.00 -0.52 0.00 0.00 37.83 34.35 3hb3 s LYS 39 CO -0.08 -0.06 1.76 0.94 -0.92 0.00 0.00 175.35 176.98 3hb3 n GLN 40 N -1.83 2.25 -1.28 1.68 -0.06 -1.26 -1.03 117.38 115.86 3hb3 n GLN 40 Ca -0.00 0.82 -0.10 0.00 -2.00 0.00 0.00 57.00 55.72 3hb3 n GLN 40 Cb 0.58 -2.64 -0.04 0.00 -4.06 0.00 0.00 30.24 24.07 3hb3 n GLN 40 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3hb3 n GLY 41 N 3.99 1.03 3.80 1.69 0.00 -1.26 -5.00 105.19 109.44 3hb3 n GLY 41 Ca 0.20 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 3hb3 n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hb3 s LYS 42 N -2.61 2.23 0.75 1.61 1.02 -0.20 -5.15 119.74 117.40 3hb3 s LYS 42 Ca 0.00 -2.01 -0.11 0.00 0.02 0.00 0.00 55.97 53.87 3hb3 s LYS 42 Cb 0.00 -1.93 0.04 0.00 -0.52 0.00 0.00 37.83 35.42 3hb3 s LYS 42 CO 0.00 -0.33 1.08 -1.12 -0.92 0.00 0.00 175.35 174.06 3hb3 s SER 43 N -4.02 4.75 0.51 2.83 0.01 -1.26 -4.66 113.70 111.85 3hb3 s SER 43 Ca 0.32 1.77 -0.22 0.00 1.31 0.00 0.00 55.95 59.12 3hb3 s SER 43 Cb 0.01 -2.51 -0.06 0.00 0.21 0.00 0.00 66.02 63.67 3hb3 s SER 43 CO 0.18 -1.87 1.28 -2.84 0.41 0.00 0.00 173.24 170.40 3hb3 s PRO 44 N -4.93 3.42 -0.09 12.44 0.02 -1.26 -4.39 135.00 140.20 3hb3 s PRO 44 Ca 0.60 2.05 0.03 0.00 0.02 0.00 0.00 61.00 63.70 3hb3 s PRO 44 Cb -0.16 -2.34 -0.02 0.00 0.02 0.00 0.00 34.50 32.01 3hb3 s PRO 44 CO 0.56 -0.91 -0.17 -0.65 -0.33 0.00 0.00 177.00 175.49 3hb3 s GLN 45 N -2.80 2.94 0.00 5.54 -1.52 0.37 -4.90 119.66 119.30 3hb3 s GLN 45 Ca 0.68 -0.75 -0.34 0.00 -1.95 0.00 0.00 55.36 52.99 3hb3 s GLN 45 Cb -0.36 -2.43 -0.12 0.00 -0.22 0.00 0.00 33.01 29.88 3hb3 s GLN 45 CO 0.43 0.35 1.79 0.34 -0.25 0.00 0.00 175.29 177.95 3hb3 n PHE 46 N 3.08 2.33 -0.07 0.91 7.35 -1.26 -0.44 117.46 129.36 3hb3 n PHE 46 Ca -0.18 0.06 -0.12 0.00 -0.76 0.00 0.00 57.45 56.45 3hb3 n PHE 46 Cb 0.52 -2.63 -0.06 0.00 0.35 0.00 0.00 39.48 37.66 3hb3 n PHE 46 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3hb3 n LEU 47 N 5.63 2.19 -3.77 -2.13 4.77 0.13 -4.83 117.00 118.99 3hb3 n LEU 47 Ca 0.21 0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 56.09 3hb3 n LEU 47 Cb 0.30 -0.45 -0.10 0.00 -2.33 0.00 0.00 43.42 40.83 3hb3 n LEU 47 CO 0.70 0.56 -0.02 0.68 -1.33 0.00 0.00 177.39 177.97 3hb3 s VAL 48 N -2.27 0.03 0.38 4.08 -7.23 -1.11 -1.70 120.40 112.58 3hb3 s VAL 48 Ca -0.19 -0.26 0.04 0.00 -1.81 0.00 0.00 61.98 59.76 3hb3 s VAL 48 Cb 0.06 -0.51 -0.03 0.00 0.56 0.00 0.00 36.38 36.46 3hb3 s VAL 48 CO 0.29 -0.14 0.12 -0.72 -0.31 0.00 0.00 175.10 174.34 3hb3 s TYR 49 N -0.59 1.79 -1.57 2.82 1.13 -0.22 -2.29 117.35 118.41 3hb3 s TYR 49 Ca -0.07 -1.24 -0.03 0.00 -1.41 0.00 0.00 57.07 54.32 3hb3 s TYR 49 Cb -0.04 -1.14 0.03 0.00 -1.10 0.00 0.00 41.96 39.71 3hb3 s TYR 49 CO 0.02 -0.27 0.08 -1.71 -2.51 0.00 0.00 175.55 171.16 3hb3 n ASN 50 N -1.14 0.58 0.00 -0.18 5.15 -1.25 -1.23 115.26 117.19 3hb3 n ASN 50 Ca -0.04 -1.26 0.00 0.00 -0.60 0.00 0.00 54.58 52.68 3hb3 n ASN 50 Cb 0.65 -1.57 0.00 0.00 -0.53 0.00 0.00 39.78 38.34 3hb3 n ASN 50 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hb3 n ALA 51 N -4.46 0.00 -0.66 5.20 0.00 0.66 -3.75 120.51 117.51 3hb3 n ALA 51 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3hb3 n ALA 51 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 3hb3 n ALA 51 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3hb3 n LYS 52 N 0.00 -0.32 -2.76 0.00 2.85 -1.01 -3.42 118.16 113.51 3hb3 n LYS 52 Ca 0.00 -0.17 -0.43 0.00 -1.05 0.00 0.00 58.31 56.66 3hb3 n LYS 52 Cb 0.00 -0.67 -0.03 0.00 -0.65 0.00 0.00 35.03 33.68 3hb3 n LYS 52 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3hb3 s THR 53 N -0.00 4.42 0.61 0.58 2.01 -0.36 -4.46 115.64 118.43 3hb3 s THR 53 Ca 0.00 0.96 -0.19 0.00 0.31 0.00 0.00 61.69 62.76 3hb3 s THR 53 Cb 0.00 -4.46 -0.03 0.00 0.01 0.00 0.00 72.50 68.02 3hb3 s THR 53 CO 0.00 -0.82 1.30 -0.76 -0.69 0.00 0.00 174.62 173.65 3hb3 s LEU 54 N 3.88 3.67 0.62 4.42 1.43 -1.26 -1.06 118.68 130.39 3hb3 s LEU 54 Ca 0.40 2.64 -0.07 0.00 -1.03 0.00 0.00 54.13 56.07 3hb3 s LEU 54 Cb -0.10 -4.51 0.01 0.00 0.03 0.00 0.00 46.19 41.63 3hb3 s LEU 54 CO 0.26 -1.81 0.95 -0.83 0.23 0.00 0.00 176.35 175.15 3hb3 s GLY 55 N -1.28 1.61 0.15 -3.19 0.00 -0.69 -4.85 107.32 99.08 3hb3 s GLY 55 Ca 0.78 -0.62 -0.34 0.00 0.00 0.00 0.00 44.72 44.55 3hb3 s GLY 55 CO 0.41 -0.31 1.62 1.18 0.00 0.00 0.00 173.10 176.00 3hb3 n GLU 56 N -2.70 2.22 -0.03 2.90 1.02 -1.26 -1.14 120.64 121.65 3hb3 n GLU 56 Ca 0.05 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 57.99 3hb3 n GLU 56 Cb 0.58 -2.58 0.00 0.00 -0.02 0.00 0.00 31.44 29.41 3hb3 n GLU 56 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hb3 n GLY 57 N 3.55 2.15 3.73 0.62 0.00 -1.26 -5.00 105.19 108.98 3hb3 n GLY 57 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3hb3 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hb3 s VAL 58 N -2.76 3.89 0.45 1.61 1.01 -0.29 -4.96 120.40 119.35 3hb3 s VAL 58 Ca 0.00 1.50 -0.22 0.00 0.00 0.00 0.00 61.98 63.26 3hb3 s VAL 58 Cb 0.00 -3.96 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 3hb3 s VAL 58 CO 0.00 0.20 1.05 -2.16 0.00 0.00 0.00 175.10 174.19 3hb3 s PRO 59 N 0.22 3.95 0.00 2.72 0.04 -1.26 -4.86 135.00 135.81 3hb3 s PRO 59 Ca 0.54 1.45 0.07 0.00 0.04 0.00 0.00 61.00 63.09 3hb3 s PRO 59 Cb -0.30 -2.30 0.34 0.00 0.04 0.00 0.00 34.50 32.28 3hb3 s PRO 59 CO 0.33 -0.32 1.04 -1.13 0.04 0.00 0.00 177.00 176.97 3hb3 n SER 60 N -0.56 0.00 0.27 6.66 3.41 -1.26 -2.45 113.62 119.69 3hb3 n SER 60 Ca 0.07 0.15 0.18 0.00 -0.26 0.00 0.00 58.87 59.01 3hb3 n SER 60 Cb 0.51 -0.26 0.88 0.00 -0.26 0.00 0.00 64.21 65.08 3hb3 n SER 60 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3hb3 h ARG 61 N 0.00 0.00 -5.53 4.33 3.08 -1.91 -3.42 114.38 110.94 3hb3 h ARG 61 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 3hb3 h ARG 61 Cb 0.06 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 29.94 3hb3 h ARG 61 CO 0.00 0.00 -0.60 -0.06 -1.07 0.00 0.00 179.97 178.24 3hb3 s PHE 62 N -4.29 3.18 0.01 3.04 0.40 -1.03 -0.53 117.98 118.78 3hb3 s PHE 62 Ca -0.04 0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.34 3hb3 s PHE 62 Cb 0.12 -1.95 -0.01 0.00 0.51 0.00 0.00 43.02 41.69 3hb3 s PHE 62 CO 0.39 0.24 -0.03 -1.54 0.70 0.00 0.00 175.22 174.98 3hb3 s SER 63 N -0.12 0.27 -0.11 1.36 1.04 0.11 -4.98 113.70 111.27 3hb3 s SER 63 Ca 0.05 -0.24 -0.06 0.00 0.48 0.00 0.00 55.95 56.19 3hb3 s SER 63 Cb -0.12 0.03 -0.04 0.00 0.10 0.00 0.00 66.02 65.98 3hb3 s SER 63 CO 0.02 -0.11 0.10 -0.83 0.98 0.00 0.00 173.24 173.40 3hb3 s GLY 64 N -0.66 2.08 0.15 7.32 0.00 -1.26 -0.02 107.32 114.93 3hb3 s GLY 64 Ca -0.06 -0.68 -0.02 0.00 0.00 0.00 0.00 44.72 43.96 3hb3 s GLY 64 CO -0.00 -0.43 0.09 -1.35 0.00 0.00 0.00 173.10 171.41 3hb3 s SER 65 N -1.00 0.25 0.00 1.64 1.04 -0.66 -4.47 113.70 110.50 3hb3 s SER 65 Ca 0.15 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.35 3hb3 s SER 65 Cb -0.12 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.33 3hb3 s SER 65 CO 0.04 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.10 3hb3 n GLY 66 N -0.14 2.04 3.82 7.32 0.00 -1.26 -1.51 105.19 115.46 3hb3 n GLY 66 Ca -0.04 -2.17 -0.04 0.00 0.00 0.00 0.00 46.02 43.77 3hb3 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hb3 s SER 67 N 0.00 -0.08 0.00 1.61 1.04 -1.24 -4.91 113.70 110.13 3hb3 s SER 67 Ca 0.00 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.83 3hb3 s SER 67 Cb 0.00 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.65 3hb3 s SER 67 CO 0.00 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.81 3hb3 n GLY 68 N -0.58 0.16 0.00 7.32 0.00 -0.23 -3.13 105.19 108.73 3hb3 n GLY 68 Ca -0.05 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.50 3hb3 n GLY 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hb3 n THR 69 N 0.00 0.00 -3.94 2.61 -1.04 -1.26 0.11 114.28 110.76 3hb3 n THR 69 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 3hb3 n THR 69 Cb 0.00 -0.09 -0.14 0.00 -1.82 0.00 0.00 70.33 68.28 3hb3 n THR 69 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3hb3 s GLN 70 N -1.10 2.99 0.10 -2.82 -1.52 -1.19 -1.06 119.66 115.07 3hb3 s GLN 70 Ca 0.00 -0.87 0.10 0.00 -1.95 0.00 0.00 55.36 52.64 3hb3 s GLN 70 Cb 0.00 -3.00 -0.04 0.00 -0.22 0.00 0.00 33.01 29.75 3hb3 s GLN 70 CO 0.00 -0.34 -0.27 -0.06 -0.25 0.00 0.00 175.29 174.37 3hb3 s PHE 71 N 1.37 2.32 0.16 0.91 0.40 0.02 -3.61 117.98 119.56 3hb3 s PHE 71 Ca 0.02 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 56.01 3hb3 s PHE 71 Cb -0.16 -1.29 -0.05 0.00 0.51 0.00 0.00 43.02 42.03 3hb3 s PHE 71 CO -0.04 0.28 -0.09 -1.54 0.70 0.00 0.00 175.22 174.53 3hb3 s SER 72 N -1.82 1.87 -0.12 1.36 1.04 -0.57 -0.94 113.70 114.52 3hb3 s SER 72 Ca 0.13 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.52 3hb3 s SER 72 Cb -0.10 -0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.02 3hb3 s SER 72 CO 0.05 -0.34 -0.11 -0.22 0.98 0.00 0.00 173.24 173.60 3hb3 s LEU 73 N -3.20 1.44 -0.03 2.42 2.96 0.69 -1.66 118.68 121.30 3hb3 s LEU 73 Ca 0.19 -0.38 0.07 0.00 -0.22 0.00 0.00 54.13 53.79 3hb3 s LEU 73 Cb 0.03 -0.98 -0.02 0.00 0.50 0.00 0.00 46.19 45.72 3hb3 s LEU 73 CO 0.02 -0.07 -0.24 -0.75 -1.32 0.00 0.00 176.35 173.99 3hb3 s LYS 74 N 1.47 2.19 -0.20 1.98 2.20 0.97 -0.10 119.74 128.25 3hb3 s LYS 74 Ca 0.02 -0.88 0.01 0.00 -0.36 0.00 0.00 55.97 54.77 3hb3 s LYS 74 Cb -0.13 -2.00 0.04 0.00 -1.51 0.00 0.00 37.83 34.23 3hb3 s LYS 74 CO -0.07 0.46 -0.12 0.42 -0.36 0.00 0.00 175.35 175.68 3hb3 s ILE 75 N -0.39 1.75 0.26 5.43 1.01 -0.53 0.07 121.20 128.79 3hb3 s ILE 75 Ca 0.04 -1.04 -0.18 0.00 0.00 0.00 0.00 60.65 59.47 3hb3 s ILE 75 Cb -0.11 -1.78 -0.08 0.00 0.01 0.00 0.00 42.46 40.49 3hb3 s ILE 75 CO 0.01 0.21 0.72 0.20 0.00 0.00 0.00 174.94 176.08 3hb3 s ASN 76 N 1.36 6.94 0.00 3.58 0.01 0.32 -2.29 114.94 124.86 3hb3 s ASN 76 Ca -0.01 1.35 0.00 0.00 -0.71 0.00 0.00 52.86 53.49 3hb3 s ASN 76 Cb -0.16 -2.40 0.00 0.00 0.41 0.00 0.00 41.25 39.10 3hb3 s ASN 76 CO -0.09 -0.06 0.00 -1.54 -1.51 0.00 0.00 177.10 173.91 3hb3 n SER 77 N 0.31 0.00 -4.77 -1.22 3.41 -0.61 -4.75 113.62 105.99 3hb3 n SER 77 Ca -0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 3hb3 n SER 77 Cb 0.52 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.48 3hb3 n SER 77 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hb3 s LEU 78 N 0.00 4.16 0.33 1.04 1.43 -0.20 -4.58 118.68 120.86 3hb3 s LEU 78 Ca 0.00 2.86 0.06 0.00 -1.03 0.00 0.00 54.13 56.02 3hb3 s LEU 78 Cb 0.00 -3.90 -0.01 0.00 0.03 0.00 0.00 46.19 42.31 3hb3 s LEU 78 CO 0.00 -1.06 0.47 -0.76 0.23 0.00 0.00 176.35 175.23 3hb3 s LEU 79 N -2.58 4.01 0.52 1.79 2.01 -1.26 -0.56 118.68 122.61 3hb3 s LEU 79 Ca 0.59 -0.11 0.29 0.00 0.01 0.00 0.00 54.13 54.91 3hb3 s LEU 79 Cb -0.42 -2.80 1.38 0.00 0.01 0.00 0.00 46.19 44.35 3hb3 s LEU 79 CO 0.55 -0.39 2.02 1.55 1.01 0.00 0.00 176.35 181.09 3hb3 h PRO 80 N 0.90 0.00 -0.00 1.29 0.13 -1.98 -2.12 132.00 130.22 3hb3 h PRO 80 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3hb3 h PRO 80 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3hb3 h PRO 80 CO 0.54 0.12 -0.04 -0.85 -0.23 0.00 0.00 178.00 177.54 3hb3 n GLU 81 N -3.44 0.73 0.24 0.86 0.00 -1.26 -3.38 120.64 114.39 3hb3 n GLU 81 Ca -0.01 -0.14 0.13 0.00 0.00 0.00 0.00 57.16 57.13 3hb3 n GLU 81 Cb 0.29 -1.50 0.46 0.00 0.00 0.00 0.00 31.44 30.69 3hb3 n GLU 81 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3hb3 h ASP 82 N 0.34 0.00 -4.26 -1.84 3.32 -1.78 -3.46 116.42 108.74 3hb3 h ASP 82 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 3hb3 h ASP 82 Cb 0.25 0.00 0.15 0.00 0.22 0.00 0.00 39.33 39.95 3hb3 h ASP 82 CO 0.00 0.12 0.32 -0.36 -1.72 0.00 0.00 179.24 177.60 3hb3 s PHE 83 N -3.53 2.25 -2.65 4.55 0.08 -1.22 -4.84 117.98 112.64 3hb3 s PHE 83 Ca 0.02 1.63 0.00 0.00 0.12 0.00 0.00 56.93 58.70 3hb3 s PHE 83 Cb 0.09 -3.21 0.00 0.00 -0.57 0.00 0.00 43.02 39.32 3hb3 s PHE 83 CO 0.62 -2.17 0.00 0.41 -0.10 0.00 0.00 175.22 173.98 3hb3 n GLY 84 N -0.47 0.70 3.55 4.36 0.00 -0.79 -4.84 105.19 107.71 3hb3 n GLY 84 Ca 0.11 -2.09 -0.28 0.00 0.00 0.00 0.00 46.02 43.76 3hb3 n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hb3 s SER 85 N -4.00 4.16 0.04 1.61 0.01 -0.26 -0.95 113.70 114.30 3hb3 s SER 85 Ca 0.00 -0.56 0.05 0.00 1.31 0.00 0.00 55.95 56.75 3hb3 s SER 85 Cb 0.00 -0.68 -0.02 0.00 0.21 0.00 0.00 66.02 65.53 3hb3 s SER 85 CO 0.00 0.13 -0.14 -0.31 0.41 0.00 0.00 173.24 173.32 3hb3 s TYR 86 N -1.52 1.26 0.01 2.43 2.02 -0.91 -0.24 117.35 120.40 3hb3 s TYR 86 Ca 0.23 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.57 3hb3 s TYR 86 Cb -0.09 -0.75 -0.01 0.00 -0.40 0.00 0.00 41.96 40.71 3hb3 s TYR 86 CO 0.14 0.04 -0.01 0.71 -1.57 0.00 0.00 175.55 174.85 3hb3 s TYR 87 N -0.85 0.11 0.35 2.71 1.51 -0.93 -1.16 117.35 119.08 3hb3 s TYR 87 Ca 0.02 -0.19 0.07 0.00 -1.01 0.00 0.00 57.07 55.96 3hb3 s TYR 87 Cb -0.08 -0.08 -0.02 0.00 -0.11 0.00 0.00 41.96 41.68 3hb3 s TYR 87 CO 0.01 -0.07 0.38 0.00 -1.11 0.00 0.00 175.55 174.77 3hb3 s GLN 89 N -4.10 1.01 -0.27 0.00 0.74 0.64 -2.03 119.66 115.66 3hb3 s GLN 89 Ca 0.44 0.14 -0.11 0.00 0.05 0.00 0.00 55.36 55.88 3hb3 s GLN 89 Cb -0.07 0.48 -0.05 0.00 1.10 0.00 0.00 33.01 34.46 3hb3 s GLN 89 CO 0.29 -0.34 0.21 -1.58 -0.55 0.00 0.00 175.29 173.32 3hb3 s HIS 90 N -1.53 3.25 -0.27 1.67 5.65 -0.82 0.72 115.29 123.96 3hb3 s HIS 90 Ca -0.08 0.19 0.15 0.00 0.25 0.00 0.00 55.06 55.57 3hb3 s HIS 90 Cb -0.00 -2.38 0.38 0.00 -1.18 0.00 0.00 32.58 29.40 3hb3 s HIS 90 CO 0.06 -0.11 1.28 -2.39 -0.65 0.00 0.00 174.74 172.93 3hb3 n HIS 91 N 4.90 0.53 -4.33 3.88 -0.00 -0.55 -4.36 115.22 115.29 3hb3 n HIS 91 Ca -0.13 -0.81 -0.18 0.00 -0.00 0.00 0.00 57.72 56.59 3hb3 n HIS 91 Cb 0.52 -0.20 -0.14 0.00 -0.00 0.00 0.00 29.99 30.17 3hb3 n HIS 91 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 3hb3 s TYR 92 N -2.37 0.92 -1.87 -1.40 5.04 -1.26 -5.04 117.35 111.37 3hb3 s TYR 92 Ca 0.32 -0.25 0.00 0.00 -2.44 0.00 0.00 57.07 54.70 3hb3 s TYR 92 Cb 0.26 -0.57 0.00 0.00 0.35 0.00 0.00 41.96 42.00 3hb3 s TYR 92 CO 0.08 -0.01 0.00 0.41 -1.34 0.00 0.00 175.55 174.69 3hb3 n GLY 93 N 2.43 0.75 3.71 8.97 0.00 -1.26 -5.05 105.19 114.74 3hb3 n GLY 93 Ca -0.16 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.27 3hb3 n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hb3 s THR 94 N -0.89 4.79 0.64 2.61 2.01 -1.26 -5.02 115.64 118.52 3hb3 s THR 94 Ca 0.00 2.01 -0.14 0.00 0.31 0.00 0.00 61.69 63.87 3hb3 s THR 94 Cb 0.00 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 3hb3 s THR 94 CO 0.00 0.15 1.07 -2.84 -0.69 0.00 0.00 174.62 172.31 3hb3 s PRO 95 N 1.05 3.07 0.50 4.92 0.02 -1.26 -4.53 135.00 138.77 3hb3 s PRO 95 Ca 0.52 1.16 0.01 0.00 0.02 0.00 0.00 61.00 62.72 3hb3 s PRO 95 Cb -0.22 -2.00 0.02 0.00 0.02 0.00 0.00 34.50 32.32 3hb3 s PRO 95 CO 0.28 -1.01 0.72 -1.25 -0.33 0.00 0.00 177.00 175.40 3hb3 s PRO 96 N -4.39 2.78 0.44 5.54 0.04 -1.26 -5.11 135.00 133.03 3hb3 s PRO 96 Ca 0.62 -0.68 0.03 0.00 0.04 0.00 0.00 61.00 61.02 3hb3 s PRO 96 Cb -0.16 -2.53 -0.02 0.00 0.04 0.00 0.00 34.50 31.83 3hb3 s PRO 96 CO 0.44 -0.50 0.12 -0.51 0.04 0.00 0.00 177.00 176.59 3hb3 s LEU 97 N -4.65 2.02 0.08 -3.56 1.43 -1.26 -4.47 118.68 108.27 3hb3 s LEU 97 Ca 0.53 -1.72 0.04 0.00 -1.03 0.00 0.00 54.13 51.95 3hb3 s LEU 97 Cb -0.10 -0.16 -0.04 0.00 0.03 0.00 0.00 46.19 45.92 3hb3 s LEU 97 CO 0.38 -0.97 0.04 -0.89 0.23 0.00 0.00 176.35 175.15 3hb3 s THR 98 N -3.14 4.32 0.08 5.49 2.01 -1.26 -4.93 115.64 118.20 3hb3 s THR 98 Ca 0.19 -0.85 0.05 0.00 0.31 0.00 0.00 61.69 61.40 3hb3 s THR 98 Cb 0.01 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 3hb3 s THR 98 CO 0.13 0.13 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.80 3hb3 s PHE 99 N -1.35 2.93 1.05 4.92 0.08 -1.26 -1.93 117.98 122.42 3hb3 s PHE 99 Ca 0.27 -0.05 -0.13 0.00 0.12 0.00 0.00 56.93 57.14 3hb3 s PHE 99 Cb -0.12 -1.53 0.22 0.00 -0.57 0.00 0.00 43.02 41.02 3hb3 s PHE 99 CO 0.20 0.45 1.09 0.20 -0.10 0.00 0.00 175.22 177.06 3hb3 s GLY 100 N -2.12 1.56 0.00 4.36 0.00 -0.86 -4.67 107.32 105.58 3hb3 s GLY 100 Ca 0.23 -0.43 0.27 0.00 0.00 0.00 0.00 44.72 44.79 3hb3 s GLY 100 CO 0.15 0.24 1.61 0.61 0.00 0.00 0.00 173.10 175.72 3hb3 n GLY 101 N -0.83 -0.11 0.00 0.20 0.00 -1.26 -4.68 105.19 98.51 3hb3 n GLY 101 Ca 0.06 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3hb3 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hb3 n GLY 102 N 1.26 1.26 2.86 -0.02 0.00 -1.26 -5.03 105.19 104.26 3hb3 n GLY 102 Ca 0.16 -1.65 -0.23 0.00 0.00 0.00 0.00 46.02 44.29 3hb3 n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hb3 s THR 103 N -2.31 0.67 -0.51 2.61 -4.23 -0.31 -4.64 115.64 106.93 3hb3 s THR 103 Ca 0.00 -0.10 -0.28 0.00 -1.18 0.00 0.00 61.69 60.12 3hb3 s THR 103 Cb 0.00 -0.73 0.02 0.00 1.34 0.00 0.00 72.50 73.12 3hb3 s THR 103 CO 0.00 0.29 1.36 -0.75 -0.54 0.00 0.00 174.62 174.98 3hb3 s LYS 104 N 1.54 3.46 -0.19 3.99 2.20 -0.81 -2.13 119.74 127.79 3hb3 s LYS 104 Ca -0.00 0.60 -0.22 0.00 -0.36 0.00 0.00 55.97 55.99 3hb3 s LYS 104 Cb -0.13 -4.05 -0.02 0.00 -1.51 0.00 0.00 37.83 32.11 3hb3 s LYS 104 CO -0.04 -1.72 0.68 -1.17 -0.36 0.00 0.00 175.35 172.73 3hb3 s LEU 105 N 5.55 4.15 0.29 5.43 2.96 -0.13 -0.73 118.68 136.20 3hb3 s LEU 105 Ca 0.54 0.91 0.06 0.00 -0.22 0.00 0.00 54.13 55.42 3hb3 s LEU 105 Cb -0.11 -2.97 -0.06 0.00 0.50 0.00 0.00 46.19 43.55 3hb3 s LEU 105 CO 0.28 -0.31 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.36 3hb3 s GLU 106 N 2.01 1.59 0.27 1.98 2.02 0.13 -1.88 118.70 124.82 3hb3 s GLU 106 Ca 0.31 -1.82 -0.26 0.00 0.02 0.00 0.00 54.97 53.22 3hb3 s GLU 106 Cb -0.16 -1.13 -0.09 0.00 0.10 0.00 0.00 34.13 32.84 3hb3 s GLU 106 CO 0.11 -0.00 0.90 0.96 0.02 0.00 0.00 175.26 177.24 3hb3 s ILE 107 N -3.04 4.23 -2.00 -1.63 -5.25 -1.26 -1.39 121.20 110.86 3hb3 s ILE 107 Ca 0.31 1.82 0.05 0.00 -0.99 0.00 0.00 60.65 61.84 3hb3 s ILE 107 Cb 0.05 -4.09 0.14 0.00 2.95 0.00 0.00 42.46 41.50 3hb3 s ILE 107 CO 0.13 0.29 0.76 1.17 -1.79 0.00 0.00 174.94 175.49