#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ttg n SER 2 N 0.00 1.82 -1.13 -1.34 7.64 -1.26 -4.75 113.62 114.60 1ttg n SER 2 Ca 0.00 -0.30 -0.04 0.00 1.01 0.00 0.00 58.87 59.54 1ttg n SER 2 Cb 0.00 -1.41 0.19 0.00 -1.01 0.00 0.00 64.21 61.98 1ttg n SER 2 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ttg n ASP 3 N 14.35 2.57 -3.92 6.43 9.92 -1.26 -4.44 116.55 140.20 1ttg n ASP 3 Ca 0.44 -3.82 -0.26 0.00 -0.53 0.00 0.00 54.79 50.62 1ttg n ASP 3 Cb 0.41 -0.60 -0.17 0.00 -0.64 0.00 0.00 41.12 40.12 1ttg n ASP 3 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ttg s VAL 4 N -3.39 1.01 0.65 2.53 1.01 -1.26 -4.89 120.40 116.06 1ttg s VAL 4 Ca 0.44 -0.30 -0.17 0.00 0.00 0.00 0.00 61.98 61.95 1ttg s VAL 4 Cb 0.40 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.72 1ttg s VAL 4 CO -0.02 0.36 0.69 -2.65 0.00 0.00 0.00 175.10 173.48 1ttg n PRO 5 N 4.75 0.53 -2.71 2.72 -0.02 -1.26 -4.98 135.00 134.03 1ttg n PRO 5 Ca -0.14 0.22 -0.07 0.00 -2.02 0.00 0.00 63.50 61.49 1ttg n PRO 5 Cb 0.50 -1.93 -0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1ttg n PRO 5 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1ttg n ARG 6 N -0.76 0.47 -2.74 -0.52 1.85 -1.26 -4.93 116.66 108.77 1ttg n ARG 6 Ca 0.12 -1.38 -0.12 0.00 -1.00 0.00 0.00 57.85 55.47 1ttg n ARG 6 Cb 0.49 1.46 -0.01 0.00 -1.05 0.00 0.00 32.46 33.35 1ttg n ARG 6 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1ttg n ASP 7 N -1.63 -2.78 -4.59 2.89 8.00 -1.26 -3.40 116.55 113.77 1ttg n ASP 7 Ca -0.02 0.12 -0.42 0.00 0.71 0.00 0.00 54.79 55.18 1ttg n ASP 7 Cb 0.32 -2.40 -0.03 0.00 -0.02 0.00 0.00 41.12 38.98 1ttg n ASP 7 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ttg s LEU 8 N -5.65 3.47 0.25 0.64 1.43 -1.26 -4.54 118.68 113.02 1ttg s LEU 8 Ca 0.12 1.35 -0.05 0.00 -1.03 0.00 0.00 54.13 54.51 1ttg s LEU 8 Cb -0.06 -3.40 -0.02 0.00 0.03 0.00 0.00 46.19 42.74 1ttg s LEU 8 CO 0.14 -1.85 0.34 -0.70 0.23 0.00 0.00 176.35 174.51 1ttg s GLU 9 N 6.00 1.50 -0.25 1.70 2.12 -1.01 -5.03 118.70 123.72 1ttg s GLU 9 Ca 0.84 -1.53 -0.09 0.00 0.36 0.00 0.00 54.97 54.55 1ttg s GLU 9 Cb -0.24 0.38 -0.04 0.00 0.26 0.00 0.00 34.13 34.50 1ttg s GLU 9 CO 0.33 -0.58 0.12 0.08 -0.54 0.00 0.00 175.26 174.67 1ttg s VAL 10 N -3.86 4.84 -0.01 3.70 1.01 -1.26 -2.42 120.40 122.40 1ttg s VAL 10 Ca 0.31 0.00 -0.19 0.00 0.00 0.00 0.00 61.98 62.10 1ttg s VAL 10 Cb 0.02 -3.26 -0.31 0.00 0.00 0.00 0.00 36.38 32.83 1ttg s VAL 10 CO 0.13 0.33 0.97 0.58 0.00 0.00 0.00 175.10 177.12 1ttg h VAL 11 N 5.31 1.42 -3.00 2.92 2.07 -1.78 -3.49 116.25 119.69 1ttg h VAL 11 Ca -0.37 -2.50 0.06 0.00 0.82 0.00 0.00 66.70 64.71 1ttg h VAL 11 Cb 1.18 3.02 -0.06 0.00 -1.52 0.00 0.00 31.29 33.91 1ttg h VAL 11 CO 0.60 0.73 0.22 0.00 0.02 0.00 0.00 177.57 179.14 1ttg s ALA 12 N -2.65 -1.27 -0.12 1.67 0.00 -1.25 -5.05 121.76 113.09 1ttg s ALA 12 Ca -0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 51.96 51.60 1ttg s ALA 12 Cb 0.02 0.86 0.06 0.00 0.00 0.00 0.00 23.12 24.06 1ttg s ALA 12 CO 0.87 -1.00 0.13 0.00 0.00 0.00 0.00 175.76 175.76 1ttg s ALA 13 N -3.90 0.06 0.36 0.00 0.00 -1.26 -2.67 121.76 114.36 1ttg s ALA 13 Ca 0.10 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.26 1ttg s ALA 13 Cb -0.05 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 1ttg s ALA 13 CO 0.04 -0.84 0.55 0.95 0.00 0.00 0.00 175.76 176.46 1ttg s THR 14 N 2.23 4.70 -2.00 0.00 -4.23 0.12 -4.94 115.64 111.52 1ttg s THR 14 Ca 0.04 -0.60 0.01 0.00 -1.18 0.00 0.00 61.69 59.96 1ttg s THR 14 Cb -0.14 -3.70 0.03 0.00 1.34 0.00 0.00 72.50 70.03 1ttg s THR 14 CO -0.07 -0.42 0.36 -0.81 -0.54 0.00 0.00 174.62 173.14 1ttg n PRO 15 N -1.80 0.06 -0.56 3.99 -0.04 -1.26 -2.49 135.00 132.90 1ttg n PRO 15 Ca -0.03 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.42 1ttg n PRO 15 Cb 0.57 -1.28 -0.01 0.00 -0.04 0.00 0.00 33.50 32.74 1ttg n PRO 15 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1ttg n THR 16 N -0.78 0.00 -3.61 0.52 -1.04 -1.26 -4.98 114.28 103.12 1ttg n THR 16 Ca 0.01 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.95 1ttg n THR 16 Cb 0.00 0.07 -0.05 0.00 -1.82 0.00 0.00 70.33 68.53 1ttg n THR 16 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1ttg s SER 17 N -0.14 -0.23 0.05 8.00 1.04 -1.04 -4.35 113.70 117.03 1ttg s SER 17 Ca 0.00 0.29 0.09 0.00 0.48 0.00 0.00 55.95 56.81 1ttg s SER 17 Cb 0.00 0.24 -0.03 0.00 0.10 0.00 0.00 66.02 66.34 1ttg s SER 17 CO 0.00 -0.18 -0.24 -0.22 0.98 0.00 0.00 173.24 173.58 1ttg s LEU 18 N -0.82 2.18 -0.31 2.42 2.96 -0.31 0.10 118.68 124.90 1ttg s LEU 18 Ca 0.03 -0.57 -0.00 0.00 -0.22 0.00 0.00 54.13 53.37 1ttg s LEU 18 Cb -0.02 -1.15 0.07 0.00 0.50 0.00 0.00 46.19 45.59 1ttg s LEU 18 CO -0.04 0.21 0.01 -0.22 -1.32 0.00 0.00 176.35 174.99 1ttg s LEU 19 N -1.27 4.07 0.26 -0.68 0.20 -1.09 -1.31 118.68 118.87 1ttg s LEU 19 Ca 0.10 -1.50 0.03 0.00 0.69 0.00 0.00 54.13 53.45 1ttg s LEU 19 Cb -0.09 -1.68 -0.03 0.00 -0.43 0.00 0.00 46.19 43.95 1ttg s LEU 19 CO 0.02 -0.30 0.42 0.27 -0.29 0.00 0.00 176.35 176.47 1ttg s ILE 20 N 1.17 5.21 -0.18 6.68 -4.36 -1.06 -2.16 121.20 126.49 1ttg s ILE 20 Ca -0.03 -0.75 -0.07 0.00 -0.26 0.00 0.00 60.65 59.54 1ttg s ILE 20 Cb -0.20 -3.84 0.08 0.00 1.25 0.00 0.00 42.46 39.75 1ttg s ILE 20 CO -0.03 -0.37 0.39 -0.94 0.24 0.00 0.00 174.94 174.23 1ttg s SER 21 N -3.88 -0.19 0.00 4.36 1.04 -1.02 -2.59 113.70 111.42 1ttg s SER 21 Ca 0.36 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.70 1ttg s SER 21 Cb -0.09 1.16 0.00 0.00 0.10 0.00 0.00 66.02 67.18 1ttg s SER 21 CO 0.31 -0.23 0.00 -2.67 0.98 0.00 0.00 173.24 171.63 1ttg n TRP 22 N 5.22 0.00 -3.78 5.02 2.14 -0.79 -2.41 117.44 122.85 1ttg n TRP 22 Ca -0.10 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.34 1ttg n TRP 22 Cb 0.50 0.00 -0.11 0.00 -0.81 0.00 0.00 31.31 30.89 1ttg n TRP 22 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 1ttg s ASP 23 N 1.00 -0.27 -0.13 -0.67 -1.08 -1.22 -4.84 116.67 109.47 1ttg s ASP 23 Ca 0.00 0.48 -0.03 0.00 -0.52 0.00 0.00 52.55 52.49 1ttg s ASP 23 Cb 0.00 0.53 -0.03 0.00 -1.46 0.00 0.00 42.92 41.96 1ttg s ASP 23 CO 0.00 -0.14 -0.02 0.00 0.52 0.00 0.00 175.17 175.53 1ttg s ALA 24 N -0.04 3.11 1.31 3.66 0.00 -1.26 -4.45 121.76 124.09 1ttg s ALA 24 Ca -0.02 -0.82 -0.17 0.00 0.00 0.00 0.00 51.96 50.96 1ttg s ALA 24 Cb -0.02 -1.52 0.26 0.00 0.00 0.00 0.00 23.12 21.84 1ttg s ALA 24 CO 0.01 0.37 0.59 -2.30 0.00 0.00 0.00 175.76 174.43 1ttg n PRO 25 N 2.94 -3.82 -0.01 0.00 -0.01 -1.26 -4.95 135.00 127.89 1ttg n PRO 25 Ca -0.18 -1.00 0.10 0.00 -0.01 0.00 0.00 63.50 62.42 1ttg n PRO 25 Cb 0.53 -1.34 -0.15 0.00 -0.01 0.00 0.00 33.50 32.53 1ttg n PRO 25 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1ttg n ALA 26 N -4.92 3.41 -0.88 3.55 0.00 -1.26 -4.94 120.51 115.47 1ttg n ALA 26 Ca -0.13 -0.53 -0.19 0.00 0.00 0.00 0.00 53.44 52.58 1ttg n ALA 26 Cb 0.41 -0.74 0.26 0.00 0.00 0.00 0.00 19.45 19.38 1ttg n ALA 26 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1ttg n VAL 27 N -2.00 0.00 -2.43 0.00 0.24 -1.26 -4.87 118.33 108.01 1ttg n VAL 27 Ca -0.01 -0.37 -0.40 0.00 -2.04 0.00 0.00 64.34 61.52 1ttg n VAL 27 Cb 0.48 -1.18 -0.03 0.00 -1.47 0.00 0.00 33.84 31.64 1ttg n VAL 27 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1ttg s THR 28 N -2.76 3.68 -0.39 3.34 2.01 -1.26 -4.96 115.64 115.30 1ttg s THR 28 Ca 0.69 0.08 -0.19 0.00 0.31 0.00 0.00 61.69 62.58 1ttg s THR 28 Cb -0.08 -4.72 0.01 0.00 0.01 0.00 0.00 72.50 67.72 1ttg s THR 28 CO 0.54 -1.65 0.53 -0.69 -0.69 0.00 0.00 174.62 172.66 1ttg s VAL 29 N 6.44 4.98 0.04 3.82 1.01 -1.26 -4.69 120.40 130.74 1ttg s VAL 29 Ca 0.45 0.13 -0.25 0.00 0.00 0.00 0.00 61.98 62.31 1ttg s VAL 29 Cb -0.07 -4.05 -0.14 0.00 0.00 0.00 0.00 36.38 32.12 1ttg s VAL 29 CO 0.10 -0.37 1.38 0.03 0.00 0.00 0.00 175.10 176.24 1ttg h ARG 30 N 8.63 -0.87 -2.98 2.72 3.08 -1.62 -3.43 114.38 119.91 1ttg h ARG 30 Ca -0.27 0.06 0.02 0.00 0.07 0.00 0.00 59.98 59.86 1ttg h ARG 30 Cb 1.11 0.20 -0.10 0.00 0.08 0.00 0.00 29.97 31.26 1ttg h ARG 30 CO 0.81 -0.58 0.22 1.52 -1.07 0.00 0.00 179.97 180.88 1ttg s TYR 31 N -5.01 -0.41 0.38 3.04 -0.85 -1.10 -4.39 117.35 109.02 1ttg s TYR 31 Ca -0.13 0.11 0.08 0.00 -0.52 0.00 0.00 57.07 56.61 1ttg s TYR 31 Cb 0.02 0.61 -0.06 0.00 0.38 0.00 0.00 41.96 42.91 1ttg s TYR 31 CO 0.40 -0.98 0.07 0.71 -1.52 0.00 0.00 175.55 174.23 1ttg s TYR 32 N -3.79 2.56 -0.19 -3.49 2.02 -0.16 -2.46 117.35 111.83 1ttg s TYR 32 Ca 0.05 -0.55 -0.04 0.00 -0.37 0.00 0.00 57.07 56.15 1ttg s TYR 32 Cb -0.03 -1.72 0.08 0.00 -0.40 0.00 0.00 41.96 39.88 1ttg s TYR 32 CO -0.06 0.37 0.14 1.03 -1.57 0.00 0.00 175.55 175.47 1ttg s ARG 33 N -3.78 0.12 -0.31 -0.62 0.52 -0.78 -2.56 118.95 111.54 1ttg s ARG 33 Ca 0.37 0.00 -0.09 0.00 -0.52 0.00 0.00 55.73 55.49 1ttg s ARG 33 Cb 0.04 -1.55 0.00 0.00 0.52 0.00 0.00 34.95 33.96 1ttg s ARG 33 CO 0.20 -0.69 0.13 0.42 0.02 0.00 0.00 175.30 175.38 1ttg s ILE 34 N 2.21 4.36 -0.01 1.52 1.01 -0.55 -0.58 121.20 129.16 1ttg s ILE 34 Ca 0.04 -0.58 0.05 0.00 0.00 0.00 0.00 60.65 60.16 1ttg s ILE 34 Cb -0.16 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 1ttg s ILE 34 CO -0.12 0.03 -0.15 0.42 0.00 0.00 0.00 174.94 175.12 1ttg s THR 35 N 1.56 2.97 0.02 2.92 -4.23 -0.34 -1.92 115.64 116.62 1ttg s THR 35 Ca 0.03 -0.91 -0.02 0.00 -1.18 0.00 0.00 61.69 59.62 1ttg s THR 35 Cb -0.17 -2.20 -0.02 0.00 1.34 0.00 0.00 72.50 71.45 1ttg s THR 35 CO 0.05 0.48 0.02 -0.72 -0.54 0.00 0.00 174.62 173.91 1ttg s TYR 36 N -0.82 0.22 -0.28 3.99 1.13 -0.75 -1.12 117.35 119.72 1ttg s TYR 36 Ca 0.13 -0.47 -0.29 0.00 -1.41 0.00 0.00 57.07 55.04 1ttg s TYR 36 Cb -0.11 -0.16 0.19 0.00 -1.10 0.00 0.00 41.96 40.78 1ttg s TYR 36 CO 0.03 -0.23 1.36 0.20 -2.51 0.00 0.00 175.55 174.39 1ttg s GLY 37 N -1.57 0.11 0.67 5.49 0.00 -1.02 -2.79 107.32 108.21 1ttg s GLY 37 Ca -0.14 2.90 -0.17 0.00 0.00 0.00 0.00 44.72 47.31 1ttg s GLY 37 CO -0.01 1.21 1.09 1.18 0.00 0.00 0.00 173.10 176.57 1ttg n GLU 38 N 0.66 0.81 -2.43 2.90 1.02 -1.26 -2.24 120.64 120.10 1ttg n GLU 38 Ca -0.02 0.33 -0.39 0.00 -0.02 0.00 0.00 57.16 57.07 1ttg n GLU 38 Cb 0.59 -2.32 -0.03 0.00 -0.02 0.00 0.00 31.44 29.65 1ttg n GLU 38 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1ttg s THR 39 N -1.59 3.44 -0.91 2.62 2.01 -1.19 -3.90 115.64 116.11 1ttg s THR 39 Ca 0.78 1.27 -0.05 0.00 0.31 0.00 0.00 61.69 64.00 1ttg s THR 39 Cb -0.38 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 1ttg s THR 39 CO 0.46 0.18 0.81 0.61 -0.69 0.00 0.00 174.62 175.98 1ttg n GLY 40 N 0.78 -1.00 3.39 4.40 0.00 -1.26 -5.04 105.19 106.46 1ttg n GLY 40 Ca 0.02 0.49 -0.20 0.00 0.00 0.00 0.00 46.02 46.34 1ttg n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ttg s GLY 41 N -3.29 1.70 0.00 -0.02 0.00 -1.25 -5.03 107.32 99.42 1ttg s GLY 41 Ca 0.36 -1.83 0.18 0.00 0.00 0.00 0.00 44.72 43.42 1ttg s GLY 41 CO 0.67 -1.78 1.23 0.70 0.00 0.00 0.00 173.10 173.92 1ttg n ASN 42 N -0.51 2.96 -3.15 1.64 3.02 -1.26 -4.83 115.26 113.13 1ttg n ASN 42 Ca -0.06 -1.86 0.04 0.00 -0.03 0.00 0.00 54.58 52.67 1ttg n ASN 42 Cb 0.63 -0.17 -0.00 0.00 -0.61 0.00 0.00 39.78 39.63 1ttg n ASN 42 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ttg s SER 43 N -1.27 -1.43 0.56 6.41 1.04 -1.26 -5.15 113.70 112.59 1ttg s SER 43 Ca 0.29 0.19 -0.21 0.00 0.48 0.00 0.00 55.95 56.70 1ttg s SER 43 Cb 0.17 1.92 -0.04 0.00 0.10 0.00 0.00 66.02 68.17 1ttg s SER 43 CO 0.24 -0.26 1.31 -2.84 0.98 0.00 0.00 173.24 172.66 1ttg s PRO 44 N 2.85 3.11 0.00 4.02 0.02 -1.26 -4.90 135.00 138.84 1ttg s PRO 44 Ca 0.13 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.25 1ttg s PRO 44 Cb -0.09 -2.18 0.00 0.00 0.02 0.00 0.00 34.50 32.26 1ttg s PRO 44 CO -0.25 -1.17 0.70 0.28 -0.33 0.00 0.00 177.00 176.22 1ttg n VAL 45 N -1.16 0.00 -2.96 3.83 0.31 -1.12 -4.99 118.33 112.25 1ttg n VAL 45 Ca 0.11 1.20 0.00 0.00 -0.01 0.00 0.00 64.34 65.64 1ttg n VAL 45 Cb 0.46 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 1ttg n VAL 45 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1ttg n GLN 46 N -1.41 0.00 -3.61 5.55 7.27 -1.13 -5.05 117.38 119.00 1ttg n GLN 46 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.03 1ttg n GLN 46 Cb 0.00 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.63 1ttg n GLN 46 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 1ttg s GLU 47 N -0.15 0.69 0.12 3.69 -1.05 -1.26 -1.81 118.70 118.93 1ttg s GLU 47 Ca 0.00 -0.32 -0.20 0.00 -0.15 0.00 0.00 54.97 54.30 1ttg s GLU 47 Cb 0.00 0.28 0.05 0.00 -0.44 0.00 0.00 34.13 34.02 1ttg s GLU 47 CO 0.00 -0.31 0.51 -0.59 0.95 0.00 0.00 175.26 175.82 1ttg s PHE 48 N -2.84 -0.40 0.33 4.83 -0.12 -0.81 -4.99 117.98 113.98 1ttg s PHE 48 Ca 0.09 0.20 0.09 0.00 -0.05 0.00 0.00 56.93 57.26 1ttg s PHE 48 Cb 0.00 0.41 -0.05 0.00 -0.63 0.00 0.00 43.02 42.75 1ttg s PHE 48 CO -0.04 -0.76 0.08 0.95 -0.05 0.00 0.00 175.22 175.40 1ttg s THR 49 N -3.52 2.92 0.02 -4.49 -4.23 -1.26 -1.48 115.64 103.60 1ttg s THR 49 Ca 0.01 -1.81 -0.19 0.00 -1.18 0.00 0.00 61.69 58.51 1ttg s THR 49 Cb 0.00 -2.90 0.04 0.00 1.34 0.00 0.00 72.50 70.98 1ttg s THR 49 CO -0.10 -0.20 0.42 0.68 -0.54 0.00 0.00 174.62 174.87 1ttg s VAL 50 N -2.45 0.05 -1.54 2.29 -7.23 -1.06 -4.96 120.40 105.50 1ttg s VAL 50 Ca 0.36 -0.40 0.00 0.00 -1.81 0.00 0.00 61.98 60.13 1ttg s VAL 50 Cb -0.02 -0.87 0.00 0.00 0.56 0.00 0.00 36.38 36.05 1ttg s VAL 50 CO 0.21 -0.22 0.00 -0.81 -0.31 0.00 0.00 175.10 173.97 1ttg n PRO 51 N 0.76 0.00 -0.78 4.82 -0.04 -1.26 -0.99 135.00 137.51 1ttg n PRO 51 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1ttg n PRO 51 Cb 0.58 -0.99 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 1ttg n PRO 51 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ttg n GLY 52 N -0.15 0.00 0.15 0.55 0.00 -1.26 -4.58 105.19 99.90 1ttg n GLY 52 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1ttg n GLY 52 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ttg h SER 53 N 0.00 0.20 -2.91 1.61 0.02 -1.89 -3.44 113.55 107.15 1ttg h SER 53 Ca 0.00 -0.13 -0.63 0.00 -0.84 0.00 0.00 61.79 60.19 1ttg h SER 53 Cb 0.60 -0.06 -0.07 0.00 0.14 0.00 0.00 62.40 63.00 1ttg h SER 53 CO 0.00 0.82 -0.37 -0.54 -1.14 0.00 0.00 176.83 175.59 1ttg s LYS 54 N -3.58 3.78 0.00 3.45 1.02 -1.26 -4.96 119.74 118.18 1ttg s LYS 54 Ca -0.03 0.06 0.26 0.00 0.02 0.00 0.00 55.97 56.28 1ttg s LYS 54 Cb 0.12 -3.26 0.72 0.00 -0.52 0.00 0.00 37.83 34.88 1ttg s LYS 54 CO 0.80 0.62 1.56 0.43 -0.92 0.00 0.00 175.35 177.83 1ttg n SER 55 N 2.34 2.09 -4.18 2.83 7.64 -1.26 -4.91 113.62 118.16 1ttg n SER 55 Ca -0.17 -1.70 -0.11 0.00 1.01 0.00 0.00 58.87 57.91 1ttg n SER 55 Cb 0.53 -0.01 -0.10 0.00 -1.01 0.00 0.00 64.21 63.63 1ttg n SER 55 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ttg s THR 56 N -1.99 0.61 -0.20 0.44 -4.23 -1.26 -1.88 115.64 107.13 1ttg s THR 56 Ca 0.34 -1.94 -0.27 0.00 -1.18 0.00 0.00 61.69 58.64 1ttg s THR 56 Cb 0.21 -1.84 0.09 0.00 1.34 0.00 0.00 72.50 72.30 1ttg s THR 56 CO 0.32 -0.72 0.83 0.00 -0.54 0.00 0.00 174.62 174.50 1ttg s ALA 57 N -3.69 -1.85 0.11 3.99 0.00 -1.07 -5.03 121.76 114.22 1ttg s ALA 57 Ca 0.16 1.74 -0.07 0.00 0.00 0.00 0.00 51.96 53.80 1ttg s ALA 57 Cb 0.06 -0.87 -0.06 0.00 0.00 0.00 0.00 23.12 22.26 1ttg s ALA 57 CO -0.02 -0.32 0.38 0.99 0.00 0.00 0.00 175.76 176.79 1ttg s THR 58 N -0.29 5.15 0.03 0.00 2.01 -1.26 -2.56 115.64 118.73 1ttg s THR 58 Ca -0.02 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.18 1ttg s THR 58 Cb -0.03 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 1ttg s THR 58 CO 0.02 0.16 -0.04 -0.51 -0.69 0.00 0.00 174.62 173.55 1ttg s ILE 59 N -1.53 0.24 0.15 1.82 2.07 -0.43 -5.01 121.20 118.51 1ttg s ILE 59 Ca 0.37 -1.19 -0.12 0.00 -1.41 0.00 0.00 60.65 58.31 1ttg s ILE 59 Cb -0.13 -0.66 0.01 0.00 0.13 0.00 0.00 42.46 41.81 1ttg s ILE 59 CO 0.21 -0.61 0.34 -0.55 -1.91 0.00 0.00 174.94 172.42 1ttg s SER 60 N -1.88 -0.05 0.00 4.50 0.15 -1.26 -1.17 113.70 113.99 1ttg s SER 60 Ca -0.09 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 55.90 1ttg s SER 60 Cb -0.05 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1ttg s SER 60 CO -0.03 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.12 1ttg n GLY 61 N -0.22 1.71 0.00 9.45 0.00 -1.26 -5.04 105.19 109.83 1ttg n GLY 61 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1ttg n GLY 61 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ttg n LEU 62 N 0.00 0.00 -3.74 0.99 -0.00 -1.26 -5.07 117.00 107.92 1ttg n LEU 62 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 1ttg n LEU 62 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 1ttg n LEU 62 CO 0.00 0.00 0.05 -0.54 -0.00 0.00 0.00 177.39 176.90 1ttg s LYS 63 N 1.41 0.50 0.82 1.47 1.02 -1.26 -5.04 119.74 118.67 1ttg s LYS 63 Ca 0.00 0.36 -0.11 0.00 0.02 0.00 0.00 55.97 56.25 1ttg s LYS 63 Cb 0.00 0.24 0.09 0.00 -0.52 0.00 0.00 37.83 37.64 1ttg s LYS 63 CO 0.00 -0.09 1.10 -1.25 -0.92 0.00 0.00 175.35 174.20 1ttg s PRO 64 N -0.16 1.81 -0.46 -1.68 0.04 -1.26 -4.37 135.00 128.93 1ttg s PRO 64 Ca -0.03 1.21 -0.29 0.00 0.04 0.00 0.00 61.00 61.93 1ttg s PRO 64 Cb -0.03 -1.84 0.04 0.00 0.04 0.00 0.00 34.50 32.71 1ttg s PRO 64 CO 0.02 -1.97 0.64 0.41 0.04 0.00 0.00 177.00 176.14 1ttg n GLY 65 N -0.84 -0.44 3.64 0.56 0.00 -0.88 -5.02 105.19 102.22 1ttg n GLY 65 Ca 0.09 1.18 -0.04 0.00 0.00 0.00 0.00 46.02 47.25 1ttg n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ttg s VAL 66 N -1.96 0.00 0.03 1.61 0.11 -0.30 -5.01 120.40 114.88 1ttg s VAL 66 Ca 0.32 0.00 -0.32 0.00 -2.93 0.00 0.00 61.98 59.05 1ttg s VAL 66 Cb -0.05 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.69 1ttg s VAL 66 CO 0.84 0.00 1.88 -0.67 -3.33 0.00 0.00 175.10 173.82 1ttg n ASP 67 N 2.96 3.85 -4.17 3.54 -0.08 -1.26 -2.60 116.55 118.79 1ttg n ASP 67 Ca -0.16 0.96 -0.30 0.00 -1.51 0.00 0.00 54.79 53.78 1ttg n ASP 67 Cb 0.57 -1.48 -0.17 0.00 2.34 0.00 0.00 41.12 42.38 1ttg n ASP 67 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1ttg s TYR 68 N 3.62 2.25 -0.22 -0.67 2.02 -0.82 -3.17 117.35 120.37 1ttg s TYR 68 Ca 0.87 -0.88 -0.04 0.00 -0.37 0.00 0.00 57.07 56.66 1ttg s TYR 68 Cb -0.54 -1.53 -0.01 0.00 -0.40 0.00 0.00 41.96 39.49 1ttg s TYR 68 CO 0.43 -0.36 -0.04 0.99 -1.57 0.00 0.00 175.55 175.00 1ttg s THR 69 N 0.36 3.33 0.01 -0.71 2.01 -0.95 -0.80 115.64 118.89 1ttg s THR 69 Ca -0.16 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 61.35 1ttg s THR 69 Cb -0.17 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.78 1ttg s THR 69 CO 0.07 0.41 -0.10 -0.51 -0.69 0.00 0.00 174.62 173.79 1ttg s ILE 70 N 1.47 3.37 -0.03 1.82 2.07 -1.08 -2.44 121.20 126.38 1ttg s ILE 70 Ca 0.05 -0.89 0.01 0.00 -1.41 0.00 0.00 60.65 58.42 1ttg s ILE 70 Cb -0.14 -2.45 0.02 0.00 0.13 0.00 0.00 42.46 40.02 1ttg s ILE 70 CO -0.03 0.39 -0.04 -0.89 -1.91 0.00 0.00 174.94 172.46 1ttg s THR 71 N -0.96 0.43 -0.14 4.00 2.01 -0.27 -2.11 115.64 118.60 1ttg s THR 71 Ca 0.16 -0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.07 1ttg s THR 71 Cb -0.11 -0.45 0.00 0.00 0.01 0.00 0.00 72.50 71.95 1ttg s THR 71 CO 0.06 0.18 -0.19 0.68 -0.69 0.00 0.00 174.62 174.66 1ttg s VAL 72 N 0.69 2.33 -0.44 3.82 -7.23 -0.88 -1.20 120.40 117.49 1ttg s VAL 72 Ca -0.08 -0.89 -0.12 0.00 -1.81 0.00 0.00 61.98 59.08 1ttg s VAL 72 Cb -0.12 -1.95 0.08 0.00 0.56 0.00 0.00 36.38 34.95 1ttg s VAL 72 CO -0.00 0.54 0.32 -0.31 -0.31 0.00 0.00 175.10 175.33 1ttg s TYR 73 N 0.73 3.30 -0.85 2.82 1.51 0.25 -2.86 117.35 122.25 1ttg s TYR 73 Ca -0.08 -1.30 -0.23 0.00 -1.01 0.00 0.00 57.07 54.45 1ttg s TYR 73 Cb -0.16 -3.06 0.07 0.00 -0.11 0.00 0.00 41.96 38.71 1ttg s TYR 73 CO 0.01 -0.83 1.21 0.00 -1.11 0.00 0.00 175.55 174.82 1ttg s ALA 74 N 1.51 2.99 -0.44 3.71 0.00 -1.26 -1.86 121.76 126.41 1ttg s ALA 74 Ca 0.03 -2.10 -0.17 0.00 0.00 0.00 0.00 51.96 49.72 1ttg s ALA 74 Cb -0.24 -4.18 0.03 0.00 0.00 0.00 0.00 23.12 18.74 1ttg s ALA 74 CO 0.04 -3.17 0.47 0.08 0.00 0.00 0.00 175.76 173.18 1ttg s VAL 75 N 4.31 5.06 0.00 0.00 1.01 -1.03 -4.36 120.40 125.39 1ttg s VAL 75 Ca 0.34 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1ttg s VAL 75 Cb -0.07 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1ttg s VAL 75 CO 0.00 -0.51 0.00 0.35 0.00 0.00 0.00 175.10 174.94 1ttg n THR 76 N 5.45 0.00 -0.43 3.92 -2.24 -1.26 -2.69 114.28 117.02 1ttg n THR 76 Ca -0.08 0.05 0.03 0.00 -2.27 0.00 0.00 64.05 61.78 1ttg n THR 76 Cb 0.47 -0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 67.89 1ttg n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ttg n GLY 77 N 2.42 -2.99 0.00 3.38 0.00 -1.26 -3.63 105.19 103.11 1ttg n GLY 77 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1ttg n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ttg n ARG 78 N -2.31 0.00 0.00 1.61 1.74 -1.26 -4.78 116.66 111.65 1ttg n ARG 78 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1ttg n ARG 78 Cb 0.17 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.61 1ttg n ARG 78 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ttg n GLY 79 N 4.10 0.73 0.00 -0.13 0.00 -1.26 -5.07 105.19 103.55 1ttg n GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ttg n GLY 79 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ttg n ASP 80 N 0.00 0.00 -4.46 1.61 8.00 -1.26 -5.07 116.55 115.37 1ttg n ASP 80 Ca 0.00 0.00 -0.52 0.00 0.71 0.00 0.00 54.79 54.98 1ttg n ASP 80 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 1ttg n ASP 80 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1ttg n SER 81 N -0.94 2.05 -4.56 -2.24 2.88 -1.26 -4.75 113.62 104.78 1ttg n SER 81 Ca 0.00 0.54 -0.16 0.00 -1.33 0.00 0.00 58.87 57.92 1ttg n SER 81 Cb 0.00 -1.21 -0.08 0.00 -0.75 0.00 0.00 64.21 62.17 1ttg n SER 81 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1ttg s PRO 82 N 5.81 1.64 -1.11 -1.46 0.02 -1.26 -4.55 135.00 134.09 1ttg s PRO 82 Ca 1.09 0.16 -0.26 0.00 0.02 0.00 0.00 61.00 62.02 1ttg s PRO 82 Cb -0.95 -4.87 -0.19 0.00 0.02 0.00 0.00 34.50 28.51 1ttg s PRO 82 CO 0.53 -4.55 2.07 0.00 -0.33 0.00 0.00 177.00 174.73 1ttg s ALA 83 N 14.65 0.82 -0.43 -1.55 0.00 -1.26 -4.84 121.76 129.15 1ttg s ALA 83 Ca 0.87 -1.65 -0.27 0.00 0.00 0.00 0.00 51.96 50.91 1ttg s ALA 83 Cb -0.10 -4.70 -0.07 0.00 0.00 0.00 0.00 23.12 18.25 1ttg s ALA 83 CO 0.09 -6.48 2.37 0.45 0.00 0.00 0.00 175.76 172.19 1ttg n SER 84 N 18.30 2.52 -3.85 0.00 2.88 -1.26 -4.39 113.62 127.81 1ttg n SER 84 Ca 0.42 -0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1ttg n SER 84 Cb 0.47 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.37 1ttg n SER 84 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ttg n SER 85 N 14.59 0.00 -4.00 -3.46 7.64 -1.26 -4.94 113.62 122.18 1ttg n SER 85 Ca 0.36 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.92 1ttg n SER 85 Cb 0.50 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.59 1ttg n SER 85 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1ttg s LYS 86 N 0.00 2.48 0.36 1.43 1.02 -1.26 -5.05 119.74 118.72 1ttg s LYS 86 Ca 0.00 -2.93 -0.28 0.00 0.02 0.00 0.00 55.97 52.78 1ttg s LYS 86 Cb 0.00 -3.56 -0.11 0.00 -0.52 0.00 0.00 37.83 33.64 1ttg s LYS 86 CO 0.00 -1.20 1.51 -2.30 -0.92 0.00 0.00 175.35 172.44 1ttg n PRO 87 N 2.73 2.68 -4.18 -1.68 -0.02 -1.26 -4.80 135.00 128.47 1ttg n PRO 87 Ca 0.13 0.94 -0.16 0.00 -2.02 0.00 0.00 63.50 62.38 1ttg n PRO 87 Cb 0.35 -2.68 -0.11 0.00 -0.02 0.00 0.00 33.50 31.04 1ttg n PRO 87 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1ttg s ILE 88 N -0.89 1.05 0.04 4.25 2.07 -1.14 -5.02 121.20 121.56 1ttg s ILE 88 Ca 0.55 -1.50 0.01 0.00 -1.41 0.00 0.00 60.65 58.30 1ttg s ILE 88 Cb -0.48 -1.24 -0.03 0.00 0.13 0.00 0.00 42.46 40.84 1ttg s ILE 88 CO 0.61 -0.40 -0.06 -0.94 -1.91 0.00 0.00 174.94 172.24 1ttg s SER 89 N -2.14 0.66 -0.09 4.50 1.04 -1.26 -2.07 113.70 114.35 1ttg s SER 89 Ca 0.02 -0.64 -0.08 0.00 0.48 0.00 0.00 55.95 55.73 1ttg s SER 89 Cb -0.06 0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.16 1ttg s SER 89 CO 0.01 -0.31 0.24 0.27 0.98 0.00 0.00 173.24 174.43 1ttg s ILE 90 N -1.98 0.00 0.00 -1.02 -4.36 -0.90 -5.03 121.20 107.92 1ttg s ILE 90 Ca -0.07 -0.02 -0.16 0.00 -0.26 0.00 0.00 60.65 60.14 1ttg s ILE 90 Cb -0.06 -0.34 -0.06 0.00 1.25 0.00 0.00 42.46 43.25 1ttg s ILE 90 CO -0.02 -0.01 0.45 0.54 0.24 0.00 0.00 174.94 176.14 1ttg s ASN 91 N 0.09 6.85 -0.23 4.36 4.22 -1.26 -2.64 114.94 126.33 1ttg s ASN 91 Ca -0.00 1.01 -0.11 0.00 -2.14 0.00 0.00 52.86 51.61 1ttg s ASN 91 Cb -0.02 -2.28 0.08 0.00 1.28 0.00 0.00 41.25 40.32 1ttg s ASN 91 CO 0.00 0.29 0.53 -0.47 -2.04 0.00 0.00 177.10 175.41 1ttg s TYR 92 N -0.93 -0.88 -0.19 1.54 5.04 0.02 -5.02 117.35 116.94 1ttg s TYR 92 Ca 0.25 1.73 -0.29 0.00 -2.44 0.00 0.00 57.07 56.32 1ttg s TYR 92 Cb -0.17 0.46 0.00 0.00 0.35 0.00 0.00 41.96 42.60 1ttg s TYR 92 CO 0.14 -0.46 1.03 -0.98 -1.34 0.00 0.00 175.55 173.94 1ttg s ARG 93 N 1.83 4.31 0.00 4.97 1.70 -1.26 -1.94 118.95 128.55 1ttg s ARG 93 Ca -0.08 1.37 0.00 0.00 -0.47 0.00 0.00 55.73 56.55 1ttg s ARG 93 Cb -0.08 -3.61 0.00 0.00 -0.57 0.00 0.00 34.95 30.69 1ttg s ARG 93 CO -0.16 -0.54 0.48 0.25 -1.08 0.00 0.00 175.30 174.24