#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 2.82 0.78 4.61 0.00 -1.26 -4.98 121.76 123.74 1tii s ALA 2 Ca 0.00 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.97 1tii s ALA 2 Cb 0.00 -3.48 0.07 0.00 0.00 0.00 0.00 23.12 19.71 1tii s ALA 2 CO 0.00 -1.07 1.11 -1.54 0.00 0.00 0.00 175.76 174.26 1tii s SER 3 N -1.23 4.25 0.30 0.00 1.04 -1.26 -4.78 113.70 112.03 1tii s SER 3 Ca 0.70 1.94 -0.01 0.00 0.48 0.00 0.00 55.95 59.06 1tii s SER 3 Cb -0.34 -2.54 0.48 0.00 0.10 0.00 0.00 66.02 63.72 1tii s SER 3 CO 0.40 -2.21 1.97 -0.61 0.98 0.00 0.00 173.24 173.77 1tii h GLN 4 N -1.09 1.05 -0.12 4.02 5.75 -1.99 -0.21 115.11 122.51 1tii h GLN 4 Ca -0.44 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.02 1tii h GLN 4 Cb 1.24 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 29.54 1tii h GLN 4 CO 0.50 0.69 -0.01 0.35 -2.65 0.00 0.00 178.83 177.71 1tii h PHE 5 N 1.08 -0.03 -0.26 3.99 3.57 -1.99 -0.41 116.94 122.88 1tii h PHE 5 Ca 0.31 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.79 1tii h PHE 5 Cb -0.08 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1tii h PHE 5 CO -0.00 -0.03 0.06 0.35 -2.23 0.00 0.00 178.31 176.46 1tii h PHE 6 N 0.02 0.44 -0.12 0.41 3.57 -1.67 -1.54 116.94 118.05 1tii h PHE 6 Ca 0.06 -0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1tii h PHE 6 Cb 0.08 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1tii h PHE 6 CO -0.15 0.50 -0.08 0.87 -2.23 0.00 0.00 178.31 177.22 1tii h LYS 7 N 0.25 -0.09 -0.50 1.11 1.57 -0.79 -2.28 116.57 115.85 1tii h LYS 7 Ca 0.08 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1tii h LYS 7 Cb 0.28 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1tii h LYS 7 CO 0.00 -0.06 0.26 -0.44 -0.57 0.00 0.00 179.45 178.64 1tii h ASP 8 N -0.09 0.63 -0.77 0.86 3.32 -1.00 -0.59 116.42 118.78 1tii h ASP 8 Ca 0.08 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1tii h ASP 8 Cb 0.20 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 1tii h ASP 8 CO -0.18 0.55 0.43 0.78 -1.72 0.00 0.00 179.24 179.11 1tii h ASN 9 N 0.66 0.95 -0.45 6.45 2.35 -1.21 -2.29 115.58 122.04 1tii h ASN 9 Ca 0.17 -0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 1tii h ASN 9 Cb 0.07 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1tii h ASN 9 CO -0.03 0.76 -0.11 0.00 -1.65 0.00 0.00 177.43 176.41 1tii h ASN 11 N 0.70 0.00 0.00 0.00 -0.26 -0.76 0.84 115.58 116.11 1tii h ASN 11 Ca 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 1tii h ASN 11 Cb 0.65 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.91 1tii h ASN 11 CO 0.04 0.05 0.00 0.54 -1.06 0.00 0.00 177.43 177.01 1tii n ARG 12 N -3.80 0.93 -4.63 0.81 1.74 -0.89 -4.83 116.66 105.97 1tii n ARG 12 Ca -0.03 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.77 1tii n ARG 12 Cb 0.15 -1.20 -0.09 0.00 -1.02 0.00 0.00 32.46 30.30 1tii n ARG 12 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1tii s THR 13 N -2.00 1.13 -2.23 0.55 -4.23 0.29 -5.03 115.64 104.11 1tii s THR 13 Ca 0.18 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.98 1tii s THR 13 Cb 0.08 -2.42 0.70 0.00 1.34 0.00 0.00 72.50 72.21 1tii s THR 13 CO 0.14 0.00 1.94 0.35 -0.54 0.00 0.00 174.62 176.51 1tii n THR 14 N -1.05 0.01 -2.66 3.99 -2.24 -1.26 -4.91 114.28 106.16 1tii n THR 14 Ca -0.11 -0.13 -0.26 0.00 -2.27 0.00 0.00 64.05 61.28 1tii n THR 14 Cb 0.66 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.91 1tii n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tii s ALA 15 N -1.99 3.45 0.01 6.98 0.00 -1.26 -4.79 121.76 124.17 1tii s ALA 15 Ca 0.41 -0.71 -0.04 0.00 0.00 0.00 0.00 51.96 51.62 1tii s ALA 15 Cb 0.21 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 1tii s ALA 15 CO 0.34 -0.50 0.24 -1.12 0.00 0.00 0.00 175.76 174.71 1tii s SER 16 N -4.20 6.43 -0.25 0.00 0.01 0.72 -4.82 113.70 111.60 1tii s SER 16 Ca 0.49 0.45 -0.17 0.00 1.31 0.00 0.00 55.95 58.03 1tii s SER 16 Cb -0.10 -2.04 -0.03 0.00 0.21 0.00 0.00 66.02 64.05 1tii s SER 16 CO 0.43 0.24 0.48 -0.22 0.41 0.00 0.00 173.24 174.58 1tii s LEU 17 N -1.95 4.08 -0.20 2.44 2.96 -1.26 -0.24 118.68 124.51 1tii s LEU 17 Ca 0.29 0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 54.69 1tii s LEU 17 Cb -0.13 -2.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.93 1tii s LEU 17 CO 0.19 -0.23 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.21 1tii s VAL 18 N 2.06 3.12 0.12 1.68 1.01 0.17 -4.98 120.40 123.58 1tii s VAL 18 Ca 0.21 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.64 1tii s VAL 18 Cb -0.16 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1tii s VAL 18 CO 0.09 0.46 0.06 -1.61 0.00 0.00 0.00 175.10 174.10 1tii s GLU 19 N 1.24 2.73 -1.45 2.72 2.02 -1.26 -0.01 118.70 124.69 1tii s GLU 19 Ca 0.03 -0.83 -0.02 0.00 0.02 0.00 0.00 54.97 54.17 1tii s GLU 19 Cb -0.14 -2.61 0.01 0.00 0.10 0.00 0.00 34.13 31.49 1tii s GLU 19 CO -0.03 0.52 0.40 0.41 0.02 0.00 0.00 175.26 176.58 1tii n GLY 20 N 0.21 -0.23 3.77 -1.39 0.00 -1.13 -4.95 105.19 101.46 1tii n GLY 20 Ca -0.09 0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.95 4.57 -0.44 1.61 1.01 0.59 -4.84 120.40 118.94 1tii s VAL 21 Ca 0.07 1.62 -0.11 0.00 0.00 0.00 0.00 61.98 63.56 1tii s VAL 21 Cb -0.04 -4.10 0.08 0.00 0.00 0.00 0.00 36.38 32.32 1tii s VAL 21 CO 0.90 0.46 0.30 -0.70 0.00 0.00 0.00 175.10 176.07 1tii s GLU 22 N -0.66 2.69 0.12 2.72 2.56 -1.26 -1.71 118.70 123.16 1tii s GLU 22 Ca 0.36 -1.47 -0.27 0.00 0.00 0.00 0.00 54.97 53.59 1tii s GLU 22 Cb -0.22 -3.89 -0.07 0.00 2.00 0.00 0.00 34.13 31.96 1tii s GLU 22 CO 0.24 -1.00 0.84 -0.51 -0.56 0.00 0.00 175.26 174.27 1tii s LEU 23 N 1.47 4.53 0.00 2.70 1.43 -1.26 -0.14 118.68 127.41 1tii s LEU 23 Ca 0.03 1.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.79 1tii s LEU 23 Cb -0.24 -3.39 0.00 0.00 0.03 0.00 0.00 46.19 42.59 1tii s LEU 23 CO 0.03 0.07 0.15 0.35 0.23 0.00 0.00 176.35 177.18 1tii n THR 24 N 2.28 0.00 -3.82 5.49 -2.24 0.50 -4.25 114.28 112.24 1tii n THR 24 Ca -0.02 -0.21 -0.13 0.00 -2.27 0.00 0.00 64.05 61.42 1tii n THR 24 Cb 0.49 1.41 -0.14 0.00 -2.10 0.00 0.00 70.33 69.99 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 -0.12 0.03 -0.12 -0.78 1.02 -1.14 -4.99 119.74 113.64 1tii s LYS 25 Ca 0.00 0.12 0.02 0.00 0.02 0.00 0.00 55.97 56.13 1tii s LYS 25 Cb 0.00 -0.06 0.02 0.00 -0.52 0.00 0.00 37.83 37.26 1tii s LYS 25 CO 0.00 -0.06 -0.17 -0.47 -0.92 0.00 0.00 175.35 173.73 1tii s TYR 26 N 0.40 2.17 -0.06 3.18 5.04 -1.26 -1.48 117.35 125.34 1tii s TYR 26 Ca -0.03 -1.08 0.04 0.00 -2.44 0.00 0.00 57.07 53.56 1tii s TYR 26 Cb -0.05 -1.55 -0.02 0.00 0.35 0.00 0.00 41.96 40.70 1tii s TYR 26 CO -0.01 -0.54 -0.18 0.42 -1.34 0.00 0.00 175.55 173.89 1tii s ILE 27 N 1.04 2.67 -0.10 3.14 1.01 -0.03 -4.99 121.20 123.94 1tii s ILE 27 Ca -0.05 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.77 1tii s ILE 27 Cb -0.15 -2.03 0.02 0.00 0.01 0.00 0.00 42.46 40.31 1tii s ILE 27 CO -0.03 0.57 -0.14 -0.55 0.00 0.00 0.00 174.94 174.79 1tii s SER 28 N -0.36 2.33 -0.03 3.58 0.15 -1.26 -1.70 113.70 116.41 1tii s SER 28 Ca 0.03 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1tii s SER 28 Cb -0.12 -1.03 0.03 0.00 -1.71 0.00 0.00 66.02 63.18 1tii s SER 28 CO 0.02 0.01 0.01 -0.62 1.20 0.00 0.00 173.24 173.86 1tii s ASP 29 N 1.01 0.33 0.00 5.45 -1.08 -0.81 -5.02 116.67 116.55 1tii s ASP 29 Ca -0.07 -0.00 0.04 0.00 -0.52 0.00 0.00 52.55 52.00 1tii s ASP 29 Cb -0.15 -0.17 0.08 0.00 -1.46 0.00 0.00 42.92 41.23 1tii s ASP 29 CO -0.01 -0.12 0.96 2.30 0.52 0.00 0.00 175.17 178.82 1tii n ILE 30 N 4.19 0.74 -1.78 4.11 -5.35 -1.26 -1.14 119.36 118.87 1tii n ILE 30 Ca -0.26 -0.87 -0.42 0.00 -0.27 0.00 0.00 62.75 60.93 1tii n ILE 30 Cb 0.50 0.65 -0.03 0.00 -1.74 0.00 0.00 39.64 39.03 1tii n ILE 30 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1tii s ASN 31 N -0.82 6.42 0.56 7.28 0.01 -1.26 -4.77 114.94 122.36 1tii s ASN 31 Ca 0.07 2.83 0.48 0.00 -0.71 0.00 0.00 52.86 55.52 1tii s ASN 31 Cb 0.04 -2.60 1.64 0.00 0.41 0.00 0.00 41.25 40.73 1tii s ASN 31 CO 0.05 -0.93 1.52 -3.20 -1.51 0.00 0.00 177.10 173.03 1tii n ASN 32 N 3.72 0.00 -0.09 -1.22 4.05 -1.26 -1.51 115.26 118.95 1tii n ASN 32 Ca 0.14 0.96 -0.21 0.00 0.45 0.00 0.00 54.58 55.93 1tii n ASN 32 Cb 0.36 -0.47 -0.12 0.00 1.23 0.00 0.00 39.78 40.78 1tii n ASN 32 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 177.26 174.99 1tii h ASN 33 N 0.00 0.03 -0.88 1.20 2.35 -2.00 -3.39 115.58 112.89 1tii h ASN 33 Ca 0.89 -0.61 -0.57 0.00 -0.55 0.00 0.00 56.30 55.47 1tii h ASN 33 Cb 3.68 -0.01 -0.29 0.00 0.05 0.00 0.00 38.32 41.74 1tii h ASN 33 CO -0.01 1.44 0.45 0.35 -1.65 0.00 0.00 177.43 178.01 1tii n THR 34 N -4.41 3.25 -1.75 2.81 -2.24 -0.91 -5.00 114.28 106.03 1tii n THR 34 Ca -0.29 -2.91 -0.39 0.00 -2.27 0.00 0.00 64.05 58.19 1tii n THR 34 Cb 0.67 -0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 67.96 1tii n THR 34 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1tii s ASP 35 N -2.09 5.10 0.00 3.42 2.15 -0.57 -4.65 116.67 120.03 1tii s ASP 35 Ca 0.59 1.16 0.00 0.00 0.43 0.00 0.00 52.55 54.72 1tii s ASP 35 Cb 0.48 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.58 1tii s ASP 35 CO 0.02 -2.36 0.00 0.61 -0.17 0.00 0.00 175.17 173.28 1tii n GLY 36 N 5.78 -0.68 3.74 2.66 0.00 -0.29 -5.00 105.19 111.41 1tii n GLY 36 Ca 0.29 -1.16 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.00 3.19 0.09 1.61 -1.94 -1.26 -1.92 119.30 117.06 1tii s MET 37 Ca 0.00 -0.31 -0.02 0.00 -1.71 0.00 0.00 55.69 53.64 1tii s MET 37 Cb 0.00 -2.94 -0.03 0.00 2.01 0.00 0.00 34.83 33.86 1tii s MET 37 CO 0.00 0.70 0.04 0.71 -0.01 0.00 0.00 175.02 176.46 1tii s TYR 38 N -0.86 0.60 0.04 -0.03 1.51 -0.69 -1.35 117.35 116.58 1tii s TYR 38 Ca 0.13 -1.07 0.03 0.00 -1.01 0.00 0.00 57.07 55.15 1tii s TYR 38 Cb -0.12 -0.37 -0.02 0.00 -0.11 0.00 0.00 41.96 41.34 1tii s TYR 38 CO 0.03 -0.46 -0.09 0.14 -1.11 0.00 0.00 175.55 174.06 1tii s VAL 39 N -3.96 0.62 -0.05 0.71 -7.23 -0.65 -0.85 120.40 108.99 1tii s VAL 39 Ca 0.13 -1.04 0.04 0.00 -1.81 0.00 0.00 61.98 59.30 1tii s VAL 39 Cb 0.07 -0.66 0.00 0.00 0.56 0.00 0.00 36.38 36.35 1tii s VAL 39 CO -0.05 -0.31 -0.16 -0.69 -0.31 0.00 0.00 175.10 173.58 1tii s VAL 40 N -1.25 1.34 0.70 1.32 1.01 -0.55 -1.77 120.40 121.20 1tii s VAL 40 Ca -0.08 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 1tii s VAL 40 Cb -0.09 -1.17 0.05 0.00 0.00 0.00 0.00 36.38 35.17 1tii s VAL 40 CO 0.01 0.39 1.02 -0.94 0.00 0.00 0.00 175.10 175.58 1tii s SER 41 N 0.18 4.91 0.40 3.32 1.04 0.11 -0.37 113.70 123.29 1tii s SER 41 Ca -0.06 0.54 0.28 0.00 0.48 0.00 0.00 55.95 57.18 1tii s SER 41 Cb -0.12 -1.22 1.41 0.00 0.10 0.00 0.00 66.02 66.19 1tii s SER 41 CO 0.03 -1.55 1.85 0.77 0.98 0.00 0.00 173.24 175.32 1tii h SER 42 N -0.59 0.00 -0.02 7.02 4.64 -0.87 -1.45 113.55 122.29 1tii h SER 42 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1tii h SER 42 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1tii h SER 42 CO 0.61 0.00 -0.05 0.35 -0.87 0.00 0.00 176.83 176.87 1tii n THR 43 N -2.51 0.00 -0.12 2.95 -2.24 -1.26 -4.96 114.28 106.15 1tii n THR 43 Ca -0.01 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1tii n THR 43 Cb 0.11 1.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 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 1.33 0.80 3.77 3.38 0.00 -0.54 -5.06 105.19 108.86 1tii n GLY 44 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1tii n GLY 44 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tii s GLY 45 N -1.67 2.93 -0.07 -0.02 0.00 -1.26 -4.79 107.32 102.43 1tii s GLY 45 Ca 0.00 0.88 0.03 0.00 0.00 0.00 0.00 44.72 45.63 1tii s GLY 45 CO 0.00 1.42 -0.15 0.14 0.00 0.00 0.00 173.10 174.51 1tii s VAL 46 N -1.35 1.37 0.06 1.40 1.01 -1.26 -0.71 120.40 120.92 1tii s VAL 46 Ca 0.51 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.93 1tii s VAL 46 Cb -0.29 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1tii s VAL 46 CO 0.37 0.41 -0.15 0.26 0.00 0.00 0.00 175.10 175.99 1tii s TRP 47 N 0.59 1.26 -0.13 5.22 0.51 -0.73 -3.94 118.94 121.72 1tii s TRP 47 Ca -0.16 -0.42 -0.09 0.00 -2.12 0.00 0.00 56.10 53.31 1tii s TRP 47 Cb -0.16 -0.72 -0.04 0.00 -0.81 0.00 0.00 33.47 31.73 1tii s TRP 47 CO 0.05 0.06 0.18 0.50 -0.51 0.00 0.00 176.95 177.23 1tii s ARG 48 N -1.54 3.72 0.15 4.98 3.52 -0.40 -1.64 118.95 127.74 1tii s ARG 48 Ca -0.00 -0.07 -0.16 0.00 -0.13 0.00 0.00 55.73 55.37 1tii s ARG 48 Cb -0.09 -3.26 -0.07 0.00 -1.56 0.00 0.00 34.95 29.97 1tii s ARG 48 CO 0.02 0.63 0.58 0.42 -0.81 0.00 0.00 175.30 176.14 1tii s ILE 49 N -0.62 4.79 0.41 4.11 1.01 -0.45 -1.39 121.20 129.06 1tii s ILE 49 Ca 0.15 0.96 -0.11 0.00 0.00 0.00 0.00 60.65 61.65 1tii s ILE 49 Cb -0.12 -3.78 -0.07 0.00 0.01 0.00 0.00 42.46 38.50 1tii s ILE 49 CO 0.04 0.28 0.79 -0.44 0.00 0.00 0.00 174.94 175.61 1tii s SER 50 N -1.63 6.54 0.05 3.58 0.01 -1.26 -4.63 113.70 116.37 1tii s SER 50 Ca 0.38 1.18 0.06 0.00 1.31 0.00 0.00 55.95 58.88 1tii s SER 50 Cb -0.16 -2.34 -0.03 0.00 0.21 0.00 0.00 66.02 63.70 1tii s SER 50 CO 0.19 -0.41 -0.18 0.00 0.41 0.00 0.00 173.24 173.25 1tii s ARG 51 N -3.85 1.17 -0.07 12.44 1.70 -1.26 -4.74 118.95 124.33 1tii s ARG 51 Ca 0.52 -0.91 -0.03 0.00 -0.47 0.00 0.00 55.73 54.84 1tii s ARG 51 Cb -0.10 -1.27 0.04 0.00 -0.57 0.00 0.00 34.95 33.05 1tii s ARG 51 CO 0.31 0.31 0.17 0.00 -1.08 0.00 0.00 175.30 175.01 1tii s ALA 52 N -0.89 -0.33 0.16 7.88 0.00 -1.26 -5.04 121.76 122.28 1tii s ALA 52 Ca 0.05 0.75 -0.03 0.00 0.00 0.00 0.00 51.96 52.73 1tii s ALA 52 Cb -0.09 -0.49 -0.00 0.00 0.00 0.00 0.00 23.12 22.53 1tii s ALA 52 CO 0.02 -0.17 1.39 -0.22 0.00 0.00 0.00 175.76 176.78 1tii h LYS 53 N 7.23 0.45 -6.23 0.00 3.64 -1.98 -3.33 116.57 116.35 1tii h LYS 53 Ca -0.43 -0.39 -0.46 0.00 -1.27 0.00 0.00 60.65 58.10 1tii h LYS 53 Cb 1.14 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1tii h LYS 53 CO 0.41 1.04 -0.41 -0.51 -2.27 0.00 0.00 179.45 177.71 1tii s ASP 54 N -7.01 6.15 0.26 4.20 1.01 -1.26 -4.81 116.67 115.20 1tii s ASP 54 Ca -0.06 -0.04 -0.29 0.00 0.71 0.00 0.00 52.55 52.87 1tii s ASP 54 Cb 0.10 -1.62 -0.09 0.00 1.01 0.00 0.00 42.92 42.31 1tii s ASP 54 CO 0.85 -0.19 0.95 -0.47 0.21 0.00 0.00 175.17 176.53 1tii s TYR 55 N -2.06 3.91 -2.17 4.23 5.04 -1.26 -0.81 117.35 124.24 1tii s TYR 55 Ca 0.38 1.88 0.27 0.00 -2.44 0.00 0.00 57.07 57.16 1tii s TYR 55 Cb -0.09 -2.99 0.79 0.00 0.35 0.00 0.00 41.96 40.02 1tii s TYR 55 CO 0.29 0.36 1.59 -0.35 -1.34 0.00 0.00 175.55 176.10 1tii n PRO 56 N 1.30 1.31 0.27 4.97 -0.04 -1.26 -4.92 135.00 136.64 1tii n PRO 56 Ca -0.01 -0.83 0.14 0.00 -0.04 0.00 0.00 63.50 62.76 1tii n PRO 56 Cb 0.47 -1.48 0.73 0.00 -0.04 0.00 0.00 33.50 33.19 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 2.02 0.00 0.29 3.54 3.32 -1.83 -2.41 116.42 121.35 1tii h ASP 57 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1tii h ASP 57 Cb 0.56 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1tii h ASP 57 CO 0.00 0.11 -0.31 -0.55 -1.72 0.00 0.00 179.24 176.77 1tii h ASN 58 N 0.00 0.02 -0.09 6.45 7.08 -1.09 0.02 115.58 127.98 1tii h ASN 58 Ca -0.00 -0.01 -0.02 0.00 -3.08 0.00 0.00 56.30 53.19 1tii h ASN 58 Cb 0.38 -0.01 -0.00 0.00 -2.08 0.00 0.00 38.32 36.61 1tii h ASN 58 CO 0.01 0.33 -0.02 0.58 -2.08 0.00 0.00 177.43 176.26 1tii h VAL 59 N 0.02 1.29 -0.34 6.14 2.07 -1.70 -1.19 116.25 122.53 1tii h VAL 59 Ca 0.00 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 1tii h VAL 59 Cb 0.56 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1tii h VAL 59 CO 0.04 0.26 0.06 0.24 0.02 0.00 0.00 177.57 178.19 1tii h MET 60 N -0.16 0.56 -0.23 1.57 2.86 -1.45 -2.12 114.93 115.97 1tii h MET 60 Ca 0.02 -0.15 -0.08 0.00 -2.06 0.00 0.00 59.70 57.43 1tii h MET 60 Cb 0.41 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1tii h MET 60 CO 0.01 0.64 -0.22 1.79 1.06 0.00 0.00 176.91 180.18 1tii h THR 61 N 0.40 1.25 -0.67 2.22 1.35 -1.02 -2.02 112.91 114.42 1tii h THR 61 Ca 0.10 -1.17 -0.04 0.00 -0.55 0.00 0.00 66.41 64.76 1tii h THR 61 Cb 0.35 1.32 -0.03 0.00 -1.73 0.00 0.00 68.15 68.06 1tii h THR 61 CO 0.01 0.37 0.27 0.00 -0.25 0.00 0.00 175.52 175.92 1tii h ALA 62 N 1.39 0.86 0.00 6.62 0.00 -1.04 -1.83 119.26 125.27 1tii h ALA 62 Ca 0.06 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1tii h ALA 62 Cb 0.60 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1tii h ALA 62 CO 0.04 0.48 -0.22 0.93 0.00 0.00 0.00 179.25 180.48 1tii h GLU 63 N 0.94 0.00 -0.40 0.00 4.39 -0.98 -2.25 114.58 116.27 1tii h GLU 63 Ca 0.22 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.77 1tii h GLU 63 Cb 0.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1tii h GLU 63 CO -0.02 0.22 -0.34 0.52 -1.16 0.00 0.00 179.01 178.23 1tii h MET 64 N 0.00 0.94 -0.43 2.33 2.86 -0.63 -1.17 114.93 118.83 1tii h MET 64 Ca -0.00 -0.47 -0.10 0.00 -2.06 0.00 0.00 59.70 57.07 1tii h MET 64 Cb 0.55 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 1tii h MET 64 CO 0.03 1.12 -0.15 0.00 1.06 0.00 0.00 176.91 178.97 1tii h ARG 65 N 0.78 0.81 -0.52 1.72 3.08 -1.00 -0.24 114.38 119.00 1tii h ARG 65 Ca 0.07 -0.29 -0.05 0.00 0.07 0.00 0.00 59.98 59.78 1tii h ARG 65 Cb 0.93 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 1tii h ARG 65 CO 0.09 0.91 0.12 0.87 -1.07 0.00 0.00 179.97 180.89 1tii h LYS 66 N 0.72 0.84 -0.56 0.04 1.57 -1.32 -0.97 116.57 116.89 1tii h LYS 66 Ca 0.11 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 1tii h LYS 66 Cb 0.66 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1tii h LYS 66 CO 0.05 0.80 0.14 0.82 -0.57 0.00 0.00 179.45 180.69 1tii h ILE 67 N 0.73 1.24 -0.37 1.86 2.04 -0.89 -0.18 117.51 121.95 1tii h ILE 67 Ca 0.16 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 1tii h ILE 67 Cb 0.34 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1tii h ILE 67 CO 0.00 0.32 0.13 0.00 0.00 0.00 0.00 178.15 178.60 1tii h ALA 68 N 1.02 0.48 -0.02 1.87 0.00 -0.82 -0.09 119.26 121.70 1tii h ALA 68 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1tii h ALA 68 Cb 0.33 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1tii h ALA 68 CO 0.00 0.10 0.01 1.98 0.00 0.00 0.00 179.25 181.34 1tii h MET 69 N 0.44 0.02 -0.97 0.00 1.85 -0.98 -1.71 114.93 113.57 1tii h MET 69 Ca 0.12 -0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.22 1tii h MET 69 Cb 0.23 -0.00 -0.05 0.00 0.43 0.00 0.00 31.60 32.20 1tii h MET 69 CO -0.01 0.01 0.65 0.00 -0.40 0.00 0.00 176.91 177.16 1tii h ALA 70 N 1.01 1.31 -0.18 0.39 0.00 -0.86 -1.87 119.26 119.07 1tii h ALA 70 Ca 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1tii h ALA 70 Cb -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1tii h ALA 70 CO -0.00 0.63 -0.02 0.00 0.00 0.00 0.00 179.25 179.86 1tii h ALA 71 N 1.40 0.24 -0.57 0.00 0.00 -0.74 -2.06 119.26 117.52 1tii h ALA 71 Ca 0.36 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1tii h ALA 71 Cb -0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1tii h ALA 71 CO -0.08 -0.03 0.32 0.28 0.00 0.00 0.00 179.25 179.74 1tii h VAL 72 N 0.05 1.18 0.09 0.00 2.07 -1.10 0.16 116.25 118.71 1tii h VAL 72 Ca 0.05 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 1tii h VAL 72 Cb 0.42 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1tii h VAL 72 CO 0.01 0.20 -0.04 -0.07 0.02 0.00 0.00 177.57 177.69 1tii h LEU 73 N 0.77 -0.10 0.00 2.57 3.38 -1.37 -3.34 115.31 117.21 1tii h LEU 73 Ca 0.20 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 1tii h LEU 73 Cb 0.03 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1tii h LEU 73 CO -0.03 0.26 -0.87 0.77 0.09 0.00 0.00 178.44 178.66 1tii h SER 74 N -0.47 0.00 0.00 -0.43 4.64 -1.39 -3.48 113.55 112.42 1tii h SER 74 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1tii h SER 74 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1tii h SER 74 CO 0.02 0.53 0.00 0.61 -0.87 0.00 0.00 176.83 177.12 1tii n GLY 75 N 1.29 0.74 3.77 -0.77 0.00 0.56 -5.04 105.19 105.74 1tii n GLY 75 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.46 4.25 0.63 1.61 -1.94 -1.19 -4.97 119.30 117.22 1tii s MET 76 Ca 0.00 1.72 -0.09 0.00 -1.71 0.00 0.00 55.69 55.62 1tii s MET 76 Cb 0.00 -2.77 0.00 0.00 2.01 0.00 0.00 34.83 34.07 1tii s MET 76 CO 0.00 -0.12 0.98 1.03 -0.01 0.00 0.00 175.02 176.91 1tii s ARG 77 N -2.13 3.03 0.10 2.03 0.52 -1.25 -4.63 118.95 116.61 1tii s ARG 77 Ca 0.54 0.29 0.04 0.00 -0.52 0.00 0.00 55.73 56.07 1tii s ARG 77 Cb -0.28 -2.16 -0.04 0.00 0.52 0.00 0.00 34.95 32.99 1tii s ARG 77 CO 0.36 -0.78 -0.10 0.14 0.02 0.00 0.00 175.30 174.94 1tii s VAL 78 N -3.14 0.92 -0.10 3.52 -7.23 -0.69 -1.78 120.40 111.90 1tii s VAL 78 Ca 0.55 -1.63 0.04 0.00 -1.81 0.00 0.00 61.98 59.13 1tii s VAL 78 Cb -0.11 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.49 1tii s VAL 78 CO 0.49 -0.56 -0.23 0.20 -0.31 0.00 0.00 175.10 174.68 1tii s ASN 79 N -2.43 3.03 0.23 4.85 0.01 -0.79 -0.30 114.94 119.53 1tii s ASN 79 Ca 0.05 -0.55 0.11 0.00 -0.71 0.00 0.00 52.86 51.76 1tii s ASN 79 Cb -0.03 -1.39 -0.05 0.00 0.41 0.00 0.00 41.25 40.20 1tii s ASN 79 CO -0.00 0.15 -0.21 -0.04 -1.51 0.00 0.00 177.10 175.49 1tii s MET 80 N 0.36 1.55 -0.37 -0.60 -1.94 0.99 -0.75 119.30 118.53 1tii s MET 80 Ca -0.19 -1.61 0.04 0.00 -1.71 0.00 0.00 55.69 52.22 1tii s MET 80 Cb -0.18 -1.73 0.10 0.00 2.01 0.00 0.00 34.83 35.03 1tii s MET 80 CO 0.09 0.35 0.08 0.00 -0.01 0.00 0.00 175.02 175.53 1tii s ALA 82 N 0.72 3.04 -0.24 0.00 0.00 0.67 -1.06 121.76 124.90 1tii s ALA 82 Ca 0.12 -0.86 -0.22 0.00 0.00 0.00 0.00 51.96 51.00 1tii s ALA 82 Cb -0.20 -1.36 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 1tii s ALA 82 CO -0.07 0.48 0.71 0.45 0.00 0.00 0.00 175.76 177.34 1tii s SER 83 N -0.52 6.70 0.00 0.00 0.15 0.37 -0.20 113.70 120.20 1tii s SER 83 Ca 0.08 0.87 0.28 0.00 0.70 0.00 0.00 55.95 57.87 1tii s SER 83 Cb -0.12 -2.38 1.56 0.00 -1.71 0.00 0.00 66.02 63.37 1tii s SER 83 CO 0.02 -0.41 1.98 -0.81 1.20 0.00 0.00 173.24 175.22 1tii n PRO 84 N 5.71 0.69 -0.24 5.44 -0.04 -1.26 -2.27 135.00 143.03 1tii n PRO 84 Ca 0.02 0.01 0.15 0.00 -0.04 0.00 0.00 63.50 63.64 1tii n PRO 84 Cb 0.48 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.89 1tii n PRO 84 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tii h ALA 85 N 3.58 2.01 -2.16 0.55 0.00 -1.94 -3.42 119.26 117.88 1tii h ALA 85 Ca 0.00 0.02 -0.58 0.00 0.00 0.00 0.00 54.91 54.35 1tii h ALA 85 Cb 0.09 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 17.70 1tii h ALA 85 CO 0.00 -0.27 -0.68 -1.12 0.00 0.00 0.00 179.25 177.19 1tii s SER 86 N -5.76 4.17 -0.12 0.00 0.01 -1.25 -5.09 113.70 105.66 1tii s SER 86 Ca -0.09 -0.83 -0.01 0.00 1.31 0.00 0.00 55.95 56.33 1tii s SER 86 Cb 0.22 -0.61 0.03 0.00 0.21 0.00 0.00 66.02 65.87 1tii s SER 86 CO 0.78 -0.02 -0.03 -0.44 0.41 0.00 0.00 173.24 173.94 1tii s SER 87 N -3.63 2.20 0.81 2.44 0.01 -1.26 -2.61 113.70 111.66 1tii s SER 87 Ca 0.31 -0.37 -0.11 0.00 1.31 0.00 0.00 55.95 57.10 1tii s SER 87 Cb -0.05 -0.69 0.08 0.00 0.21 0.00 0.00 66.02 65.58 1tii s SER 87 CO 0.18 -0.18 1.12 -2.16 0.41 0.00 0.00 173.24 172.61 1tii s PRO 88 N 1.80 1.89 0.30 12.44 0.04 -1.26 -5.11 135.00 145.11 1tii s PRO 88 Ca 0.03 1.35 -0.29 0.00 0.04 0.00 0.00 61.00 62.13 1tii s PRO 88 Cb -0.14 -1.84 -0.11 0.00 0.04 0.00 0.00 34.50 32.46 1tii s PRO 88 CO -0.07 -1.95 1.46 -0.80 0.04 0.00 0.00 177.00 175.68 1tii s ASN 89 N -3.01 6.54 0.24 6.66 0.02 -1.07 -4.54 114.94 119.79 1tii s ASN 89 Ca 0.64 2.82 -0.21 0.00 -1.02 0.00 0.00 52.86 55.09 1tii s ASN 89 Cb -0.20 -2.64 -0.09 0.00 0.02 0.00 0.00 41.25 38.34 1tii s ASN 89 CO 0.55 -0.76 0.77 -0.69 0.02 0.00 0.00 177.10 176.99 1tii s VAL 90 N -0.48 4.49 -0.19 1.60 1.01 -0.96 -1.27 120.40 124.60 1tii s VAL 90 Ca 0.57 1.40 -0.19 0.00 0.00 0.00 0.00 61.98 63.76 1tii s VAL 90 Cb -0.44 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 1tii s VAL 90 CO 0.51 0.20 0.53 -0.63 0.00 0.00 0.00 175.10 175.70 1tii s ILE 91 N -1.54 5.10 -0.05 2.22 1.01 -0.48 -0.48 121.20 126.98 1tii s ILE 91 Ca 0.44 0.98 0.16 0.00 0.00 0.00 0.00 60.65 62.24 1tii s ILE 91 Cb -0.17 -3.85 -0.24 0.00 0.01 0.00 0.00 42.46 38.20 1tii s ILE 91 CO 0.22 0.18 0.30 0.79 0.00 0.00 0.00 174.94 176.42 1tii n TRP 92 N 4.73 0.00 -3.62 3.97 8.01 -0.22 -4.08 117.44 126.22 1tii n TRP 92 Ca -0.04 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 55.99 1tii n TRP 92 Cb 0.50 -0.46 -0.07 0.00 -2.01 0.00 0.00 31.31 29.27 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 -2.98 -1.46 -0.07 6.99 0.00 -1.15 -5.00 121.76 118.09 1tii s ALA 93 Ca -0.06 1.26 -0.06 0.00 0.00 0.00 0.00 51.96 53.09 1tii s ALA 93 Cb 0.09 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.88 1tii s ALA 93 CO 0.68 -0.32 0.18 -1.50 0.00 0.00 0.00 175.76 174.80 1tii s ILE 94 N -0.65 -0.00 -0.16 0.00 2.07 -1.26 -0.91 121.20 120.30 1tii s ILE 94 Ca -0.07 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.17 1tii s ILE 94 Cb -0.03 -0.26 0.02 0.00 0.13 0.00 0.00 42.46 42.32 1tii s ILE 94 CO 0.05 0.00 -0.16 -0.70 -1.91 0.00 0.00 174.94 172.22 1tii s GLU 95 N 0.10 2.52 -0.11 3.50 2.12 0.07 -4.97 118.70 121.93 1tii s GLU 95 Ca -0.00 -0.65 -0.25 0.00 0.36 0.00 0.00 54.97 54.44 1tii s GLU 95 Cb -0.01 -2.24 -0.03 0.00 0.26 0.00 0.00 34.13 32.11 1tii s GLU 95 CO 0.00 -0.21 0.77 -1.17 -0.54 0.00 0.00 175.26 174.11 1tii s LEU 96 N 1.38 4.26 0.00 2.70 2.96 -1.26 -1.89 118.68 126.83 1tii s LEU 96 Ca 0.04 1.21 0.08 0.00 -0.22 0.00 0.00 54.13 55.24 1tii s LEU 96 Cb -0.13 -3.18 -0.02 0.00 0.50 0.00 0.00 46.19 43.36 1tii s LEU 96 CO -0.11 -0.25 -0.25 -1.83 -1.32 0.00 0.00 176.35 172.60 1tii s GLU 97 N 1.39 2.03 0.00 1.98 -1.05 -0.73 -5.02 118.70 117.29 1tii s GLU 97 Ca 0.39 -0.98 0.25 0.00 -0.15 0.00 0.00 54.97 54.47 1tii s GLU 97 Cb -0.17 -2.05 0.35 0.00 -0.44 0.00 0.00 34.13 31.82 1tii s GLU 97 CO 0.17 0.55 1.35 0.00 0.95 0.00 0.00 175.26 178.27