#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tii s ALA 2 N 0.00 3.66 0.84 4.61 0.00 -1.26 -4.96 121.76 124.65 1tii s ALA 2 Ca 0.00 1.50 -0.10 0.00 0.00 0.00 0.00 51.96 53.36 1tii s ALA 2 Cb 0.00 -3.61 0.10 0.00 0.00 0.00 0.00 23.12 19.61 1tii s ALA 2 CO 0.00 -0.93 1.12 -1.54 0.00 0.00 0.00 175.76 174.41 1tii s SER 3 N 0.21 3.74 0.22 0.00 1.04 -1.26 -4.79 113.70 112.86 1tii s SER 3 Ca 0.58 1.98 -0.09 0.00 0.48 0.00 0.00 55.95 58.90 1tii s SER 3 Cb -0.46 -2.53 0.21 0.00 0.10 0.00 0.00 66.02 63.34 1tii s SER 3 CO 0.52 -2.55 1.87 -0.61 0.98 0.00 0.00 173.24 173.45 1tii h GLN 4 N -1.49 0.99 -0.72 4.02 5.75 -1.99 -1.51 115.11 120.16 1tii h GLN 4 Ca -0.44 -0.06 0.09 0.00 -0.15 0.00 0.00 58.65 58.10 1tii h GLN 4 Cb 1.25 -0.22 -0.07 0.00 1.07 0.00 0.00 27.48 29.51 1tii h GLN 4 CO 0.47 0.65 0.37 0.35 -2.65 0.00 0.00 178.83 178.02 1tii h PHE 5 N 1.02 0.66 -0.34 3.99 3.57 -1.99 0.50 116.94 124.34 1tii h PHE 5 Ca 0.31 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.71 1tii h PHE 5 Cb -0.03 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 1tii h PHE 5 CO -0.02 0.25 -0.27 0.35 -2.23 0.00 0.00 178.31 176.38 1tii h PHE 6 N 0.62 0.92 0.75 0.41 3.57 -1.73 -1.77 116.94 119.72 1tii h PHE 6 Ca 0.35 -0.26 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1tii h PHE 6 Cb 0.36 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 38.90 1tii h PHE 6 CO -0.10 1.02 -0.36 0.87 -2.23 0.00 0.00 178.31 177.51 1tii h LYS 7 N 0.56 -0.97 -0.98 1.11 1.57 -0.53 -0.86 116.57 116.46 1tii h LYS 7 Ca 0.06 0.07 0.19 0.00 -1.87 0.00 0.00 60.65 59.10 1tii h LYS 7 Cb 0.84 0.22 -0.10 0.00 0.08 0.00 0.00 32.23 33.27 1tii h LYS 7 CO 0.07 -0.63 0.61 -0.44 -0.57 0.00 0.00 179.45 178.50 1tii h ASP 8 N -1.16 0.71 -0.40 0.86 3.32 -1.00 0.22 116.42 118.98 1tii h ASP 8 Ca -0.10 0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 1tii h ASP 8 Cb 0.79 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 1tii h ASP 8 CO 0.17 0.27 0.05 0.78 -1.72 0.00 0.00 179.24 178.79 1tii h ASN 9 N 0.70 0.64 -0.24 6.45 4.21 -1.09 -2.64 115.58 123.61 1tii h ASN 9 Ca 0.55 -0.27 -0.15 0.00 1.21 0.00 0.00 56.30 57.64 1tii h ASN 9 Cb 0.93 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.96 1tii h ASN 9 CO -0.32 0.75 -0.44 0.00 -1.29 0.00 0.00 177.43 176.13 1tii n ASN 11 N -4.17 0.04 0.17 0.00 5.03 0.61 -1.31 115.26 115.63 1tii n ASN 11 Ca -0.05 0.51 0.09 0.00 0.87 0.00 0.00 54.58 56.00 1tii n ASN 11 Cb 0.56 -0.52 0.09 0.00 -1.02 0.00 0.00 39.78 38.89 1tii n ASN 11 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 1tii h ARG 12 N 0.00 0.00 0.00 3.52 2.43 -1.29 -3.47 114.38 115.57 1tii h ARG 12 Ca 0.00 0.00 -0.47 0.00 -0.81 0.00 0.00 59.98 58.70 1tii h ARG 12 Cb 0.18 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1tii h ARG 12 CO 0.00 0.11 -0.14 0.25 -1.51 0.00 0.00 179.97 178.69 1tii n THR 13 N -3.02 0.00 1.38 0.20 -2.24 -0.43 -5.04 114.28 105.14 1tii n THR 13 Ca 0.02 -1.85 0.14 0.00 -2.27 0.00 0.00 64.05 60.09 1tii n THR 13 Cb 0.59 -0.36 0.55 0.00 -2.10 0.00 0.00 70.33 69.01 1tii n THR 13 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1tii n THR 14 N -1.95 0.00 -1.46 4.28 -2.24 -1.26 -4.90 114.28 106.75 1tii n THR 14 Ca 0.08 -0.09 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 1tii n THR 14 Cb 0.55 0.06 0.13 0.00 -2.10 0.00 0.00 70.33 68.98 1tii n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tii n ALA 15 N -0.81 -1.17 -2.57 6.98 0.00 -1.26 -4.80 120.51 116.88 1tii n ALA 15 Ca 0.14 -1.08 -0.22 0.00 0.00 0.00 0.00 53.44 52.28 1tii n ALA 15 Cb 0.30 -0.06 -0.14 0.00 0.00 0.00 0.00 19.45 19.55 1tii n ALA 15 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1tii s SER 16 N -3.95 1.92 0.03 0.00 0.01 -0.45 -4.87 113.70 106.39 1tii s SER 16 Ca 0.47 -0.42 -0.26 0.00 1.31 0.00 0.00 55.95 57.05 1tii s SER 16 Cb -0.02 -0.16 -0.05 0.00 0.21 0.00 0.00 66.02 66.00 1tii s SER 16 CO 0.34 0.11 0.81 -0.22 0.41 0.00 0.00 173.24 174.68 1tii s LEU 17 N -0.92 4.43 -0.23 2.44 2.96 -1.26 -1.47 118.68 124.62 1tii s LEU 17 Ca 0.04 1.48 0.00 0.00 -0.22 0.00 0.00 54.13 55.44 1tii s LEU 17 Cb -0.08 -3.30 0.06 0.00 0.50 0.00 0.00 46.19 43.38 1tii s LEU 17 CO 0.01 -0.04 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.28 1tii s VAL 18 N 0.17 1.32 0.08 1.68 1.01 0.94 -4.95 120.40 120.65 1tii s VAL 18 Ca 0.41 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 1tii s VAL 18 Cb -0.21 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1tii s VAL 18 CO 0.24 -0.17 0.26 -1.61 0.00 0.00 0.00 175.10 173.81 1tii s GLU 19 N 1.48 3.49 -1.30 2.72 2.02 -1.26 0.65 118.70 126.50 1tii s GLU 19 Ca -0.03 -0.34 -0.03 0.00 0.02 0.00 0.00 54.97 54.59 1tii s GLU 19 Cb -0.18 -2.98 -0.00 0.00 0.10 0.00 0.00 34.13 31.06 1tii s GLU 19 CO -0.08 0.57 0.66 0.41 0.02 0.00 0.00 175.26 176.84 1tii n GLY 20 N 0.22 -0.39 3.85 -1.39 0.00 -1.20 -4.96 105.19 101.32 1tii n GLY 20 Ca -0.04 0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1tii n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tii s VAL 21 N -3.70 5.11 -0.25 1.61 1.01 -0.15 -4.84 120.40 119.19 1tii s VAL 21 Ca 0.08 0.66 -0.07 0.00 0.00 0.00 0.00 61.98 62.64 1tii s VAL 21 Cb -0.02 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1tii s VAL 21 CO 0.83 0.52 0.07 -0.70 0.00 0.00 0.00 175.10 175.81 1tii s GLU 22 N -1.27 3.57 -0.12 2.72 2.56 -1.26 -1.20 118.70 123.69 1tii s GLU 22 Ca 0.25 -0.53 -0.22 0.00 0.00 0.00 0.00 54.97 54.47 1tii s GLU 22 Cb -0.15 -3.31 -0.03 0.00 2.00 0.00 0.00 34.13 32.63 1tii s GLU 22 CO 0.13 -0.22 0.64 -0.51 -0.56 0.00 0.00 175.26 174.74 1tii s LEU 23 N 1.59 4.25 -0.00 2.70 1.43 -1.26 -0.71 118.68 126.68 1tii s LEU 23 Ca 0.06 1.00 0.03 0.00 -1.03 0.00 0.00 54.13 54.19 1tii s LEU 23 Cb -0.15 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 1tii s LEU 23 CO 0.03 -0.16 0.10 0.35 0.23 0.00 0.00 176.35 176.90 1tii n THR 24 N 4.10 0.00 -4.16 5.49 -2.24 0.08 -4.25 114.28 113.30 1tii n THR 24 Ca -0.02 -0.28 -0.16 0.00 -2.27 0.00 0.00 64.05 61.32 1tii n THR 24 Cb 0.51 0.76 -0.12 0.00 -2.10 0.00 0.00 70.33 69.37 1tii n THR 24 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1tii s LYS 25 N -1.68 0.68 -0.08 -0.78 -0.14 -1.01 -4.99 119.74 111.74 1tii s LYS 25 Ca 0.00 -0.76 -0.01 0.00 -1.36 0.00 0.00 55.97 53.84 1tii s LYS 25 Cb 0.02 -0.58 0.03 0.00 -1.68 0.00 0.00 37.83 35.61 1tii s LYS 25 CO 0.12 0.13 -0.02 -0.47 -0.76 0.00 0.00 175.35 174.36 1tii s TYR 26 N -1.13 0.87 -0.07 3.18 5.04 -1.26 -2.05 117.35 121.93 1tii s TYR 26 Ca -0.04 -0.31 0.04 0.00 -2.44 0.00 0.00 57.07 54.32 1tii s TYR 26 Cb -0.09 -0.91 -0.02 0.00 0.35 0.00 0.00 41.96 41.30 1tii s TYR 26 CO 0.01 -0.37 -0.18 0.42 -1.34 0.00 0.00 175.55 174.09 1tii s ILE 27 N 1.90 2.71 -0.20 3.14 1.01 0.01 -5.01 121.20 124.77 1tii s ILE 27 Ca 0.05 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.88 1tii s ILE 27 Cb -0.12 -2.06 0.04 0.00 0.01 0.00 0.00 42.46 40.33 1tii s ILE 27 CO -0.06 0.57 -0.12 -0.55 0.00 0.00 0.00 174.94 174.78 1tii s SER 28 N -0.31 3.50 -0.20 3.58 0.15 -1.26 -1.80 113.70 117.36 1tii s SER 28 Ca 0.02 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 55.75 1tii s SER 28 Cb -0.13 -1.31 0.05 0.00 -1.71 0.00 0.00 66.02 62.92 1tii s SER 28 CO 0.03 -0.13 -0.07 -0.62 1.20 0.00 0.00 173.24 173.65 1tii s ASP 29 N 1.34 3.37 0.00 5.45 -1.08 -0.48 -4.98 116.67 120.29 1tii s ASP 29 Ca -0.01 -0.92 0.24 0.00 -0.52 0.00 0.00 52.55 51.34 1tii s ASP 29 Cb -0.16 -1.10 0.31 0.00 -1.46 0.00 0.00 42.92 40.51 1tii s ASP 29 CO -0.08 -0.19 1.30 2.30 0.52 0.00 0.00 175.17 179.01 1tii n ILE 30 N 4.75 0.00 -1.67 4.11 -5.35 -1.26 -0.48 119.36 119.45 1tii n ILE 30 Ca -0.13 -0.28 -0.49 0.00 -0.27 0.00 0.00 62.75 61.58 1tii n ILE 30 Cb 0.46 1.05 -0.05 0.00 -1.74 0.00 0.00 39.64 39.36 1tii n ILE 30 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1tii n ASN 31 N 0.18 3.06 -4.58 7.28 3.02 -1.26 -4.71 115.26 118.25 1tii n ASN 31 Ca 0.12 1.03 -0.26 0.00 -0.03 0.00 0.00 54.58 55.45 1tii n ASN 31 Cb 0.46 -1.35 -0.07 0.00 -0.61 0.00 0.00 39.78 38.22 1tii n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1tii s ASN 32 N 2.70 4.79 0.00 6.41 3.04 -1.26 -1.22 114.94 129.40 1tii s ASN 32 Ca 0.88 -1.36 0.00 0.00 0.04 0.00 0.00 52.86 52.43 1tii s ASN 32 Cb -0.75 -2.58 0.00 0.00 -1.54 0.00 0.00 41.25 36.37 1tii s ASN 32 CO 0.48 -3.28 0.00 -3.20 -3.04 0.00 0.00 177.10 168.06 1tii n ASN 33 N 15.19 0.00 -0.12 -4.21 4.05 -1.26 -4.90 115.26 124.00 1tii n ASN 33 Ca 0.44 0.00 0.04 0.00 0.45 0.00 0.00 54.58 55.51 1tii n ASN 33 Cb 0.47 0.00 0.06 0.00 1.23 0.00 0.00 39.78 41.54 1tii n ASN 33 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1tii n THR 34 N 0.00 1.09 -1.69 -0.44 -2.24 -0.83 -5.05 114.28 105.11 1tii n THR 34 Ca 0.00 -1.25 -0.52 0.00 -2.27 0.00 0.00 64.05 60.01 1tii n THR 34 Cb 0.00 0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.41 1tii n THR 34 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1tii n ASP 35 N -0.76 3.06 0.00 3.42 2.03 -0.36 -4.73 116.55 119.21 1tii n ASP 35 Ca 0.07 1.01 0.00 0.00 0.52 0.00 0.00 54.79 56.39 1tii n ASP 35 Cb 0.53 -1.28 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 1tii n ASP 35 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1tii n GLY 36 N 4.35 -2.20 3.27 0.27 0.00 0.37 -5.01 105.19 106.23 1tii n GLY 36 Ca 0.24 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 1tii n GLY 36 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1tii s MET 37 N -1.95 3.18 0.15 1.61 -1.94 -1.26 -1.38 119.30 117.69 1tii s MET 37 Ca 0.00 -0.80 0.04 0.00 -1.71 0.00 0.00 55.69 53.23 1tii s MET 37 Cb 0.00 -2.47 -0.04 0.00 2.01 0.00 0.00 34.83 34.32 1tii s MET 37 CO 0.00 0.14 -0.10 0.71 -0.01 0.00 0.00 175.02 175.76 1tii s TYR 38 N 0.48 1.26 0.04 -0.03 1.51 -0.74 -0.98 117.35 118.89 1tii s TYR 38 Ca -0.13 -0.76 0.04 0.00 -1.01 0.00 0.00 57.07 55.21 1tii s TYR 38 Cb -0.17 -0.64 -0.02 0.00 -0.11 0.00 0.00 41.96 41.02 1tii s TYR 38 CO 0.05 0.08 -0.12 0.14 -1.11 0.00 0.00 175.55 174.59 1tii s VAL 39 N -3.33 0.90 -0.05 0.71 -7.23 -0.70 -0.81 120.40 109.90 1tii s VAL 39 Ca 0.17 -1.02 0.04 0.00 -1.81 0.00 0.00 61.98 59.36 1tii s VAL 39 Cb 0.03 -0.86 -0.00 0.00 0.56 0.00 0.00 36.38 36.10 1tii s VAL 39 CO 0.00 -0.14 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.79 1tii s VAL 40 N -1.01 1.48 0.69 1.32 1.01 -0.87 -1.95 120.40 121.07 1tii s VAL 40 Ca -0.02 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 1tii s VAL 40 Cb -0.08 -1.27 0.07 0.00 0.00 0.00 0.00 36.38 35.10 1tii s VAL 40 CO 0.01 0.42 0.98 -0.94 0.00 0.00 0.00 175.10 175.57 1tii s SER 41 N 0.04 4.73 0.56 3.32 1.04 -0.07 -0.74 113.70 122.58 1tii s SER 41 Ca -0.04 0.21 0.28 0.00 0.48 0.00 0.00 55.95 56.87 1tii s SER 41 Cb -0.12 -0.83 1.65 0.00 0.10 0.00 0.00 66.02 66.82 1tii s SER 41 CO 0.02 -1.61 2.18 0.77 0.98 0.00 0.00 173.24 175.58 1tii h SER 42 N -0.50 0.00 -0.34 7.02 4.64 -1.26 -0.77 113.55 122.34 1tii h SER 42 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1tii h SER 42 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1tii h SER 42 CO 0.54 0.05 0.00 0.35 -0.87 0.00 0.00 176.83 176.90 1tii n THR 43 N -3.83 1.16 0.00 2.95 -2.24 -1.26 -4.92 114.28 106.14 1tii n THR 43 Ca -0.03 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1tii n THR 43 Cb 0.14 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 1tii n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tii n GLY 44 N 0.61 2.89 3.63 3.38 0.00 -0.29 -5.00 105.19 110.41 1tii n GLY 44 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1tii n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tii n GLY 45 N -1.97 -0.03 3.29 -0.02 0.00 -1.26 -4.61 105.19 100.58 1tii n GLY 45 Ca 0.00 0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1tii n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tii s VAL 46 N -1.22 1.96 0.03 1.61 1.01 -1.26 -0.89 120.40 121.63 1tii s VAL 46 Ca 0.62 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 1tii s VAL 46 Cb -0.57 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 1tii s VAL 46 CO 0.58 0.55 -0.01 0.26 0.00 0.00 0.00 175.10 176.48 1tii s TRP 47 N -0.52 0.29 -0.04 5.22 0.51 -0.82 -3.97 118.94 119.60 1tii s TRP 47 Ca 0.08 -0.60 -0.02 0.00 -2.12 0.00 0.00 56.10 53.44 1tii s TRP 47 Cb -0.10 -0.21 -0.04 0.00 -0.81 0.00 0.00 33.47 32.31 1tii s TRP 47 CO -0.00 -0.24 0.07 0.50 -0.51 0.00 0.00 176.95 176.77 1tii s ARG 48 N -1.93 3.10 -0.07 4.98 3.52 0.03 -1.71 118.95 126.87 1tii s ARG 48 Ca -0.12 -0.41 -0.14 0.00 -0.13 0.00 0.00 55.73 54.93 1tii s ARG 48 Cb -0.06 -2.89 -0.05 0.00 -1.56 0.00 0.00 34.95 30.38 1tii s ARG 48 CO -0.03 0.68 0.37 0.42 -0.81 0.00 0.00 175.30 175.94 1tii s ILE 49 N -1.10 5.16 0.65 4.11 1.01 -0.15 -1.02 121.20 129.87 1tii s ILE 49 Ca 0.19 0.74 -0.17 0.00 0.00 0.00 0.00 60.65 61.41 1tii s ILE 49 Cb -0.12 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 1tii s ILE 49 CO 0.10 0.49 1.23 -0.44 0.00 0.00 0.00 174.94 176.32 1tii s SER 50 N -0.41 4.75 0.26 3.58 0.01 -1.25 -4.61 113.70 116.04 1tii s SER 50 Ca 0.22 2.42 0.07 0.00 1.31 0.00 0.00 55.95 59.97 1tii s SER 50 Cb -0.15 -2.60 -0.06 0.00 0.21 0.00 0.00 66.02 63.42 1tii s SER 50 CO 0.10 -1.89 -0.07 0.00 0.41 0.00 0.00 173.24 171.79 1tii s ARG 51 N -3.54 1.50 -0.20 12.44 1.70 -1.26 -4.80 118.95 124.79 1tii s ARG 51 Ca 0.77 -1.74 -0.27 0.00 -0.47 0.00 0.00 55.73 54.02 1tii s ARG 51 Cb -0.31 -1.12 0.07 0.00 -0.57 0.00 0.00 34.95 33.02 1tii s ARG 51 CO 0.38 0.06 0.73 0.00 -1.08 0.00 0.00 175.30 175.39 1tii s ALA 52 N -3.03 -1.79 -0.19 7.88 0.00 -1.26 -5.01 121.76 118.36 1tii s ALA 52 Ca 0.28 1.80 -0.13 0.00 0.00 0.00 0.00 51.96 53.91 1tii s ALA 52 Cb 0.03 -0.83 -0.20 0.00 0.00 0.00 0.00 23.12 22.12 1tii s ALA 52 CO 0.11 -0.34 0.14 1.17 0.00 0.00 0.00 175.76 176.83 1tii n LYS 53 N 2.09 0.65 -2.34 0.00 4.81 -1.26 -4.36 118.16 117.75 1tii n LYS 53 Ca -0.15 0.38 -0.28 0.00 -0.87 0.00 0.00 58.31 57.38 1tii n LYS 53 Cb 0.56 -1.67 0.01 0.00 0.02 0.00 0.00 35.03 33.95 1tii n LYS 53 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1tii s ASP 54 N -6.98 5.99 0.27 3.14 1.01 -1.26 -4.68 116.67 114.16 1tii s ASP 54 Ca -0.29 0.99 -0.29 0.00 0.71 0.00 0.00 52.55 53.68 1tii s ASP 54 Cb 0.08 -2.12 -0.09 0.00 1.01 0.00 0.00 42.92 41.80 1tii s ASP 54 CO 0.64 -0.85 0.99 -0.47 0.21 0.00 0.00 175.17 175.70 1tii s TYR 55 N -2.96 3.78 -1.58 4.23 5.04 -1.26 -1.04 117.35 123.56 1tii s TYR 55 Ca 0.52 1.82 0.24 0.00 -2.44 0.00 0.00 57.07 57.20 1tii s TYR 55 Cb -0.11 -3.07 0.26 0.00 0.35 0.00 0.00 41.96 39.40 1tii s TYR 55 CO 0.48 0.06 1.25 -0.35 -1.34 0.00 0.00 175.55 175.64 1tii n PRO 56 N 1.17 0.66 0.30 4.97 -0.04 -1.26 -4.88 135.00 135.91 1tii n PRO 56 Ca -0.01 -0.48 0.17 0.00 -0.04 0.00 0.00 63.50 63.14 1tii n PRO 56 Cb 0.47 -1.49 0.95 0.00 -0.04 0.00 0.00 33.50 33.39 1tii n PRO 56 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1tii h ASP 57 N 1.18 0.00 0.63 3.54 3.32 -1.91 -1.52 116.42 121.67 1tii h ASP 57 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1tii h ASP 57 Cb 0.59 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 1tii h ASP 57 CO 0.00 0.03 -0.01 -0.55 -1.72 0.00 0.00 179.24 176.99 1tii h ASN 58 N 0.00 0.00 0.09 6.45 -1.07 -1.28 -0.06 115.58 119.70 1tii h ASN 58 Ca -0.00 0.00 -0.19 0.00 0.07 0.00 0.00 56.30 56.18 1tii h ASN 58 Cb 0.14 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.39 1tii h ASN 58 CO 0.00 0.01 -0.95 0.58 0.07 0.00 0.00 177.43 177.14 1tii h VAL 59 N 0.00 1.30 -0.57 6.14 2.07 -1.55 -3.01 116.25 120.64 1tii h VAL 59 Ca -0.00 -2.40 -0.06 0.00 0.82 0.00 0.00 66.70 65.05 1tii h VAL 59 Cb 0.33 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 33.00 1tii h VAL 59 CO 0.00 0.64 0.10 0.24 0.02 0.00 0.00 177.57 178.57 1tii h MET 60 N -0.54 0.91 -0.25 1.57 2.86 -1.38 -2.15 114.93 115.95 1tii h MET 60 Ca -0.20 -0.21 -0.11 0.00 -2.06 0.00 0.00 59.70 57.11 1tii h MET 60 Cb 1.53 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 33.06 1tii h MET 60 CO 0.04 0.84 -0.29 1.79 1.06 0.00 0.00 176.91 180.35 1tii h THR 61 N 0.86 1.31 -0.95 2.22 1.35 -1.16 -1.33 112.91 115.22 1tii h THR 61 Ca 0.18 -1.47 0.09 0.00 -0.55 0.00 0.00 66.41 64.66 1tii h THR 61 Cb 0.37 1.67 -0.07 0.00 -1.73 0.00 0.00 68.15 68.39 1tii h THR 61 CO 0.01 0.46 0.59 0.00 -0.25 0.00 0.00 175.52 176.33 1tii h ALA 62 N 0.67 1.36 -0.06 6.62 0.00 -1.45 0.51 119.26 126.91 1tii h ALA 62 Ca 0.04 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1tii h ALA 62 Cb 0.86 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1tii h ALA 62 CO 0.07 0.28 -0.56 0.93 0.00 0.00 0.00 179.25 179.97 1tii h GLU 63 N 1.01 0.17 -0.53 0.00 4.39 -1.24 -1.78 114.58 116.61 1tii h GLU 63 Ca 0.44 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 60.03 1tii h GLU 63 Cb 0.32 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 1tii h GLU 63 CO -0.22 0.69 0.32 1.98 -1.16 0.00 0.00 179.01 180.61 1tii h MET 64 N 0.13 0.72 -0.46 2.33 4.05 0.22 0.24 114.93 122.17 1tii h MET 64 Ca -0.00 -0.07 -0.06 0.00 -0.28 0.00 0.00 59.70 59.29 1tii h MET 64 Cb 1.03 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.66 1tii h MET 64 CO 0.08 0.53 0.04 0.00 0.23 0.00 0.00 176.91 177.79 1tii h ARG 65 N 0.71 0.79 -0.43 0.39 3.08 -0.85 -0.56 114.38 117.51 1tii h ARG 65 Ca 0.19 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1tii h ARG 65 Cb -0.01 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1tii h ARG 65 CO -0.04 0.82 0.07 -0.22 -1.07 0.00 0.00 179.97 179.54 1tii h LYS 66 N 0.65 0.65 -0.25 0.04 3.64 -0.96 -0.58 116.57 119.76 1tii h LYS 66 Ca 0.14 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1tii h LYS 66 Cb 0.44 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1tii h LYS 66 CO 0.02 0.62 -0.15 0.82 -2.27 0.00 0.00 179.45 178.49 1tii h ILE 67 N 0.63 1.31 0.10 2.00 2.04 -0.26 -1.73 117.51 121.60 1tii h ILE 67 Ca 0.14 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.74 1tii h ILE 67 Cb 0.29 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1tii h ILE 67 CO 0.00 0.39 -0.09 0.00 0.00 0.00 0.00 178.15 178.46 1tii h ALA 68 N 0.71 -0.18 -0.64 1.87 0.00 -0.50 -0.51 119.26 120.01 1tii h ALA 68 Ca 0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1tii h ALA 68 Cb 0.68 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1tii h ALA 68 CO 0.04 -0.62 0.18 1.98 0.00 0.00 0.00 179.25 180.84 1tii h MET 69 N -0.21 0.99 -0.23 0.00 1.85 -1.17 -1.67 114.93 114.50 1tii h MET 69 Ca 0.00 -0.21 -0.07 0.00 -0.61 0.00 0.00 59.70 58.81 1tii h MET 69 Cb 0.20 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 32.07 1tii h MET 69 CO -0.02 0.86 -0.18 0.00 -0.40 0.00 0.00 176.91 177.17 1tii h ALA 70 N 1.24 1.28 -0.41 0.39 0.00 -0.86 0.02 119.26 120.92 1tii h ALA 70 Ca 0.21 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1tii h ALA 70 Cb 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1tii h ALA 70 CO -0.00 0.48 -0.01 0.00 0.00 0.00 0.00 179.25 179.71 1tii h ALA 71 N 1.46 0.55 -0.35 0.00 0.00 -0.62 -1.76 119.26 118.54 1tii h ALA 71 Ca 0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1tii h ALA 71 Cb 0.52 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1tii h ALA 71 CO 0.03 0.35 0.14 0.28 0.00 0.00 0.00 179.25 180.05 1tii h VAL 72 N 0.56 1.19 0.00 0.00 2.07 -0.82 -0.10 116.25 119.16 1tii h VAL 72 Ca 0.11 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 1tii h VAL 72 Cb 0.50 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1tii h VAL 72 CO 0.02 0.21 -0.18 -0.07 0.02 0.00 0.00 177.57 177.57 1tii h LEU 73 N 0.42 0.00 0.00 2.57 3.38 -0.96 -3.35 115.31 117.37 1tii h LEU 73 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1tii h LEU 73 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1tii h LEU 73 CO -0.01 0.18 -0.30 -1.54 0.09 0.00 0.00 178.44 176.86 1tii n SER 74 N -3.31 0.71 -0.04 -0.43 3.41 -0.67 -5.01 113.62 108.30 1tii n SER 74 Ca 0.01 -0.50 -0.00 0.00 -0.26 0.00 0.00 58.87 58.11 1tii n SER 74 Cb 0.43 1.02 -0.00 0.00 -0.26 0.00 0.00 64.21 65.40 1tii n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tii n GLY 75 N 1.25 0.47 3.73 5.00 0.00 -0.06 -4.99 105.19 110.58 1tii n GLY 75 Ca 0.00 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 1tii n GLY 75 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1tii s MET 76 N -0.70 4.54 0.78 1.61 -1.94 -1.23 -5.01 119.30 117.35 1tii s MET 76 Ca 0.00 1.19 -0.11 0.00 -1.71 0.00 0.00 55.69 55.06 1tii s MET 76 Cb 0.00 -3.41 0.06 0.00 2.01 0.00 0.00 34.83 33.49 1tii s MET 76 CO 0.00 0.13 1.08 1.03 -0.01 0.00 0.00 175.02 177.26 1tii s ARG 77 N 0.43 2.18 0.05 2.03 0.52 -1.24 -4.60 118.95 118.31 1tii s ARG 77 Ca 0.43 0.97 0.02 0.00 -0.52 0.00 0.00 55.73 56.64 1tii s ARG 77 Cb -0.21 -1.90 -0.03 0.00 0.52 0.00 0.00 34.95 33.34 1tii s ARG 77 CO 0.25 -1.64 -0.08 0.14 0.02 0.00 0.00 175.30 173.98 1tii s VAL 78 N -2.98 0.61 0.03 3.52 -7.23 -0.34 -1.65 120.40 112.36 1tii s VAL 78 Ca 0.61 -1.16 0.04 0.00 -1.81 0.00 0.00 61.98 59.66 1tii s VAL 78 Cb -0.16 -0.72 -0.04 0.00 0.56 0.00 0.00 36.38 36.02 1tii s VAL 78 CO 0.56 -0.40 -0.07 0.20 -0.31 0.00 0.00 175.10 175.08 1tii s ASN 79 N -1.69 4.62 0.14 4.85 0.01 -0.77 -0.98 114.94 121.12 1tii s ASN 79 Ca -0.08 -0.20 0.03 0.00 -0.71 0.00 0.00 52.86 51.91 1tii s ASN 79 Cb -0.09 -1.04 -0.04 0.00 0.41 0.00 0.00 41.25 40.48 1tii s ASN 79 CO 0.00 0.25 -0.06 -0.04 -1.51 0.00 0.00 177.10 175.74 1tii s MET 80 N -1.66 1.02 -0.32 -0.60 -1.94 0.21 -1.68 119.30 114.33 1tii s MET 80 Ca 0.19 -1.45 -0.00 0.00 -1.71 0.00 0.00 55.69 52.71 1tii s MET 80 Cb -0.11 -0.44 0.10 0.00 2.01 0.00 0.00 34.83 36.40 1tii s MET 80 CO 0.10 -0.00 0.11 0.00 -0.01 0.00 0.00 175.02 175.22 1tii s ALA 82 N 1.47 2.43 -0.23 0.00 0.00 -0.54 -0.06 121.76 124.83 1tii s ALA 82 Ca 0.11 -1.32 -0.28 0.00 0.00 0.00 0.00 51.96 50.47 1tii s ALA 82 Cb -0.18 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.41 1tii s ALA 82 CO -0.22 0.55 0.97 0.45 0.00 0.00 0.00 175.76 177.52 1tii s SER 83 N -1.65 7.03 -0.00 0.00 0.15 0.15 -1.33 113.70 118.04 1tii s SER 83 Ca 0.14 1.28 0.05 0.00 0.70 0.00 0.00 55.95 58.13 1tii s SER 83 Cb -0.10 -2.51 0.15 0.00 -1.71 0.00 0.00 66.02 61.85 1tii s SER 83 CO 0.05 -0.61 1.12 -0.81 1.20 0.00 0.00 173.24 174.19 1tii n PRO 84 N 6.15 1.39 -0.01 5.44 -0.04 -1.26 -2.20 135.00 144.48 1tii n PRO 84 Ca 0.10 -0.61 0.08 0.00 -0.04 0.00 0.00 63.50 63.02 1tii n PRO 84 Cb 0.47 -1.13 0.43 0.00 -0.04 0.00 0.00 33.50 33.22 1tii n PRO 84 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tii n ALA 85 N -0.00 2.58 -2.67 0.55 0.00 -1.26 -4.82 120.51 114.89 1tii n ALA 85 Ca 0.06 -0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 1tii n ALA 85 Cb 0.14 -1.23 -0.07 0.00 0.00 0.00 0.00 19.45 18.30 1tii n ALA 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1tii s SER 86 N -1.46 0.05 -0.15 0.00 0.15 -1.25 -5.09 113.70 105.95 1tii s SER 86 Ca 0.23 -0.66 -0.03 0.00 0.70 0.00 0.00 55.95 56.20 1tii s SER 86 Cb 0.11 0.39 0.05 0.00 -1.71 0.00 0.00 66.02 64.85 1tii s SER 86 CO 0.18 -0.79 0.04 -0.44 1.20 0.00 0.00 173.24 173.43 1tii s SER 87 N -2.88 2.31 0.61 5.45 0.01 -1.26 -2.39 113.70 115.55 1tii s SER 87 Ca 0.08 -0.52 -0.17 0.00 1.31 0.00 0.00 55.95 56.64 1tii s SER 87 Cb 0.04 -0.44 -0.02 0.00 0.21 0.00 0.00 66.02 65.81 1tii s SER 87 CO -0.08 -0.28 1.15 -2.16 0.41 0.00 0.00 173.24 172.27 1tii s PRO 88 N 1.98 2.94 0.52 12.44 0.04 -1.26 -5.12 135.00 146.54 1tii s PRO 88 Ca 0.02 1.60 -0.22 0.00 0.04 0.00 0.00 61.00 62.44 1tii s PRO 88 Cb -0.15 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 1tii s PRO 88 CO -0.07 -1.18 1.13 0.09 0.04 0.00 0.00 177.00 177.01 1tii n ASN 89 N -1.91 1.68 -4.71 6.66 5.03 -1.01 -4.54 115.26 116.46 1tii n ASN 89 Ca 0.12 0.95 -0.35 0.00 0.87 0.00 0.00 54.58 56.16 1tii n ASN 89 Cb 0.51 -1.45 -0.09 0.00 -1.02 0.00 0.00 39.78 37.73 1tii n ASN 89 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1tii s VAL 90 N -1.35 4.76 -0.25 2.41 1.01 -0.93 -0.79 120.40 125.24 1tii s VAL 90 Ca 0.70 -0.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.33 1tii s VAL 90 Cb -0.46 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 32.87 1tii s VAL 90 CO 0.51 0.56 1.03 -0.63 0.00 0.00 0.00 175.10 176.57 1tii s ILE 91 N -0.52 4.65 -0.52 2.22 1.01 -0.19 0.34 121.20 128.20 1tii s ILE 91 Ca 0.10 1.91 0.20 0.00 0.00 0.00 0.00 60.65 62.86 1tii s ILE 91 Cb -0.12 -4.32 -0.26 0.00 0.01 0.00 0.00 42.46 37.77 1tii s ILE 91 CO 0.02 -0.24 0.66 0.79 0.00 0.00 0.00 174.94 176.17 1tii n TRP 92 N 6.42 0.00 -3.63 3.97 8.01 0.92 -3.76 117.44 129.36 1tii n TRP 92 Ca 0.11 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 56.19 1tii n TRP 92 Cb 0.46 -0.22 -0.07 0.00 -2.01 0.00 0.00 31.31 29.48 1tii n TRP 92 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1tii s ALA 93 N -3.13 -1.90 0.02 6.99 0.00 -1.01 -4.98 121.76 117.75 1tii s ALA 93 Ca 0.01 1.96 0.01 0.00 0.00 0.00 0.00 51.96 53.93 1tii s ALA 93 Cb 0.14 -1.34 -0.02 0.00 0.00 0.00 0.00 23.12 21.91 1tii s ALA 93 CO 0.84 -0.28 -0.05 -1.50 0.00 0.00 0.00 175.76 174.77 1tii s ILE 94 N 0.34 0.29 -0.12 0.00 2.07 -1.26 -0.88 121.20 121.64 1tii s ILE 94 Ca 0.01 -0.74 -0.01 0.00 -1.41 0.00 0.00 60.65 58.50 1tii s ILE 94 Cb -0.05 -0.36 0.04 0.00 0.13 0.00 0.00 42.46 42.22 1tii s ILE 94 CO -0.04 -0.30 -0.01 -0.70 -1.91 0.00 0.00 174.94 171.98 1tii s GLU 95 N -1.11 0.91 -0.19 3.50 2.12 -0.68 -4.99 118.70 118.27 1tii s GLU 95 Ca -0.09 -0.18 -0.28 0.00 0.36 0.00 0.00 54.97 54.78 1tii s GLU 95 Cb -0.07 -1.50 0.00 0.00 0.26 0.00 0.00 34.13 32.81 1tii s GLU 95 CO -0.00 -0.39 0.98 -1.17 -0.54 0.00 0.00 175.26 174.14 1tii s LEU 96 N 1.85 4.14 -0.22 2.70 2.96 -1.26 -1.84 118.68 127.00 1tii s LEU 96 Ca 0.03 1.35 -0.04 0.00 -0.22 0.00 0.00 54.13 55.25 1tii s LEU 96 Cb -0.14 -3.46 -0.01 0.00 0.50 0.00 0.00 46.19 43.07 1tii s LEU 96 CO -0.07 -0.57 -0.02 -1.83 -1.32 0.00 0.00 176.35 172.54 1tii s GLU 97 N 2.75 3.47 0.00 1.98 -1.05 -0.66 -5.01 118.70 120.17 1tii s GLU 97 Ca 0.43 -0.59 0.30 0.00 -0.15 0.00 0.00 54.97 54.96 1tii s GLU 97 Cb -0.16 -3.05 1.77 0.00 -0.44 0.00 0.00 34.13 32.25 1tii s GLU 97 CO 0.10 -0.13 2.10 0.00 0.95 0.00 0.00 175.26 178.28