#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tnn n ILE 2 N 0.00-10.29 -0.35 0.55 2.08 -1.26 -4.87 119.36 105.22 1tnn n ILE 2 Ca 0.00 0.20 0.01 0.00 0.56 0.00 0.00 62.75 63.52 1tnn n ILE 2 Cb 0.00 -6.93 0.17 0.00 -0.75 0.00 0.00 39.64 32.13 1tnn n ILE 2 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1tnn h LEU 3 N 1.04 1.05 -7.02 1.39 4.07 -1.09 -3.44 115.31 111.31 1tnn h LEU 3 Ca -0.02 -0.01 -0.05 0.00 0.08 0.00 0.00 57.88 57.88 1tnn h LEU 3 Cb 1.02 -0.23 -0.21 0.00 1.08 0.00 0.00 40.66 42.31 1tnn h LEU 3 CO 0.26 0.71 0.12 -0.89 -1.08 0.00 0.00 178.44 177.56 1tnn s THR 4 N -6.03 0.00 0.22 0.22 2.01 -1.16 -4.93 115.64 105.97 1tnn s THR 4 Ca -0.12 -0.01 -0.04 0.00 0.31 0.00 0.00 61.69 61.83 1tnn s THR 4 Cb 0.19 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.68 1tnn s THR 4 CO 0.81 -0.00 0.45 -1.59 -0.69 0.00 0.00 174.62 173.60 1tnn s LYS 5 N -0.02 3.60 0.43 4.92 -2.85 -1.26 -2.00 119.74 122.57 1tnn s LYS 5 Ca -0.03 -0.11 -0.22 0.00 -1.00 0.00 0.00 55.97 54.61 1tnn s LYS 5 Cb -0.04 -2.76 -0.10 0.00 -2.06 0.00 0.00 37.83 32.87 1tnn s LYS 5 CO 0.03 0.35 1.00 -1.25 0.10 0.00 0.00 175.35 175.58 1tnn s PRO 6 N -3.19 4.13 0.00 1.78 0.04 -1.26 -4.86 135.00 131.64 1tnn s PRO 6 Ca 0.42 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1tnn s PRO 6 Cb -0.11 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.11 1tnn s PRO 6 CO 0.28 -0.14 0.00 0.54 0.04 0.00 0.00 177.00 177.71 1tnn n ARG 7 N -0.46 0.46 -4.07 4.56 5.12 -1.26 -4.81 116.66 116.19 1tnn n ARG 7 Ca 0.07 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.82 1tnn n ARG 7 Cb 0.52 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.77 1tnn n ARG 7 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1tnn n SER 8 N -0.75 -1.00 -1.74 0.55 7.64 -1.26 -4.66 113.62 112.41 1tnn n SER 8 Ca 0.00 -3.01 0.01 0.00 1.01 0.00 0.00 58.87 56.88 1tnn n SER 8 Cb 0.00 2.04 0.00 0.00 -1.01 0.00 0.00 64.21 65.25 1tnn n SER 8 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1tnn n MET 9 N -0.59 0.05 -3.30 1.43 1.56 -0.62 -4.97 117.12 110.66 1tnn n MET 9 Ca 0.04 -0.21 -0.10 0.00 -0.27 0.00 0.00 57.70 57.16 1tnn n MET 9 Cb 0.58 0.34 -0.05 0.00 2.15 0.00 0.00 33.22 36.24 1tnn n MET 9 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 1tnn s THR 10 N -2.13 -0.59 0.00 1.12 2.01 -1.26 -2.54 115.64 112.24 1tnn s THR 10 Ca 0.08 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.56 1tnn s THR 10 Cb -0.00 -0.65 0.00 0.00 0.01 0.00 0.00 72.50 71.86 1tnn s THR 10 CO -0.00 -0.34 0.00 1.33 -0.69 0.00 0.00 174.62 174.92 1tnn n VAL 11 N 4.70 0.00 0.00 3.82 0.24 0.46 -4.83 118.33 122.72 1tnn n VAL 11 Ca 0.07 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.36 1tnn n VAL 11 Cb 0.49 -1.75 -0.00 0.00 -1.47 0.00 0.00 33.84 31.11 1tnn n VAL 11 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1tnn n TYR 12 N -1.14 0.00 -2.66 6.34 4.02 -1.26 -2.25 117.16 120.21 1tnn n TYR 12 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.85 1tnn n TYR 12 Cb 0.00 -0.06 0.08 0.00 -0.02 0.00 0.00 39.34 39.34 1tnn n TYR 12 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1tnn n GLU 13 N -3.02 0.12 0.00 -0.72 2.13 -1.26 -1.77 120.64 116.12 1tnn n GLU 13 Ca -0.02 -0.68 0.00 0.00 0.66 0.00 0.00 57.16 57.12 1tnn n GLU 13 Cb 0.06 -0.20 0.00 0.00 0.27 0.00 0.00 31.44 31.57 1tnn n GLU 13 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1tnn n GLY 14 N 1.39 1.08 0.22 8.31 0.00 -1.23 -4.77 105.19 110.20 1tnn n GLY 14 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1tnn n GLY 14 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1tnn h GLU 15 N 0.00 0.00 0.00 1.61 4.39 -1.93 -3.39 114.58 115.25 1tnn h GLU 15 Ca 0.00 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.80 1tnn h GLU 15 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1tnn h GLU 15 CO 0.00 0.25 -0.13 0.43 -1.16 0.00 0.00 179.01 178.40 1tnn n SER 16 N -3.49 -3.55 -3.63 1.42 7.64 -1.26 -4.94 113.62 105.80 1tnn n SER 16 Ca -0.00 0.39 -0.13 0.00 1.01 0.00 0.00 58.87 60.14 1tnn n SER 16 Cb 0.41 -1.23 -0.07 0.00 -1.01 0.00 0.00 64.21 62.31 1tnn n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tnn s ALA 17 N -1.54 -1.82 0.10 -0.43 0.00 -1.24 -4.84 121.76 111.99 1tnn s ALA 17 Ca 0.00 2.03 0.00 0.00 0.00 0.00 0.00 51.96 53.99 1tnn s ALA 17 Cb 0.00 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 1tnn s ALA 17 CO 0.00 -0.33 0.25 1.03 0.00 0.00 0.00 175.76 176.72 1tnn s ARG 18 N 0.42 3.46 -0.42 0.00 0.52 -1.26 -2.37 118.95 119.30 1tnn s ARG 18 Ca -0.00 -0.45 0.05 0.00 -0.52 0.00 0.00 55.73 54.81 1tnn s ARG 18 Cb -0.05 -2.99 0.18 0.00 0.52 0.00 0.00 34.95 32.61 1tnn s ARG 18 CO -0.01 0.56 0.38 1.19 0.02 0.00 0.00 175.30 177.44 1tnn n PHE 19 N -0.01 -1.10 -2.96 -0.53 3.72 -0.06 -4.76 117.46 111.76 1tnn n PHE 19 Ca -0.05 -3.19 -0.42 0.00 -0.05 0.00 0.00 57.45 53.74 1tnn n PHE 19 Cb 0.52 0.31 -0.05 0.00 -0.94 0.00 0.00 39.48 39.32 1tnn n PHE 19 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1tnn s SER 20 N 0.00 6.63 0.47 4.37 0.15 -1.26 -2.01 113.70 122.06 1tnn s SER 20 Ca 0.33 0.60 0.05 0.00 0.70 0.00 0.00 55.95 57.63 1tnn s SER 20 Cb 0.05 -2.40 0.05 0.00 -1.71 0.00 0.00 66.02 62.01 1tnn s SER 20 CO -0.18 -0.61 0.39 0.00 1.20 0.00 0.00 173.24 174.04 1tnn s ASP 22 N -3.80 0.60 -0.22 0.00 -1.08 -0.84 -2.02 116.67 109.30 1tnn s ASP 22 Ca 0.30 -0.55 -0.18 0.00 -0.52 0.00 0.00 52.55 51.60 1tnn s ASP 22 Cb -0.02 0.07 0.06 0.00 -1.46 0.00 0.00 42.92 41.56 1tnn s ASP 22 CO 0.19 -0.26 0.57 0.42 0.52 0.00 0.00 175.17 176.61 1tnn s THR 23 N -1.52 -0.00 0.84 1.71 -4.23 -1.21 -0.45 115.64 110.78 1tnn s THR 23 Ca -0.12 0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.29 1tnn s THR 23 Cb -0.09 -0.80 0.09 0.00 1.34 0.00 0.00 72.50 73.04 1tnn s THR 23 CO -0.01 0.00 1.14 -0.62 -0.54 0.00 0.00 174.62 174.60 1tnn s ASP 24 N 0.62 4.19 0.00 3.99 -1.08 -1.26 -4.39 116.67 118.74 1tnn s ASP 24 Ca -0.03 1.00 0.00 0.00 -0.52 0.00 0.00 52.55 53.00 1tnn s ASP 24 Cb -0.05 -1.61 0.00 0.00 -1.46 0.00 0.00 42.92 39.81 1tnn s ASP 24 CO -0.04 -2.12 0.00 0.61 0.52 0.00 0.00 175.17 174.14 1tnn n GLY 25 N -2.59 1.46 2.67 2.66 0.00 -1.26 -3.49 105.19 104.65 1tnn n GLY 25 Ca 0.07 -0.48 -0.04 0.00 0.00 0.00 0.00 46.02 45.57 1tnn n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1tnn n GLU 26 N 0.00 0.12 -3.83 1.61 1.02 -1.26 -4.41 120.64 113.89 1tnn n GLU 26 Ca 0.00 -0.80 -0.37 0.00 -0.02 0.00 0.00 57.16 55.98 1tnn n GLU 26 Cb 0.00 -0.02 -0.06 0.00 -0.02 0.00 0.00 31.44 31.34 1tnn n GLU 26 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1tnn s PRO 27 N 0.73 3.50 0.22 3.49 0.04 -1.26 -4.97 135.00 136.75 1tnn s PRO 27 Ca 0.24 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.20 1tnn s PRO 27 Cb 0.15 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.51 1tnn s PRO 27 CO -0.10 0.76 0.00 0.28 0.04 0.00 0.00 177.00 177.97 1tnn n VAL 28 N 1.85-10.61 -0.28 -0.36 0.31 -1.26 -4.99 118.33 102.98 1tnn n VAL 28 Ca -0.18 2.92 0.00 0.00 -0.01 0.00 0.00 64.34 67.07 1tnn n VAL 28 Cb 0.54 -4.54 0.00 0.00 -0.91 0.00 0.00 33.84 28.93 1tnn n VAL 28 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1tnn n PRO 29 N 1.64 0.16 -4.34 5.55 -0.04 -1.23 -4.78 135.00 131.96 1tnn n PRO 29 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 1tnn n PRO 29 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 1tnn n PRO 29 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1tnn s THR 30 N -0.47 2.86 0.02 0.52 2.01 -1.18 -4.94 115.64 114.46 1tnn s THR 30 Ca 0.00 -2.02 -0.02 0.00 0.31 0.00 0.00 61.69 59.96 1tnn s THR 30 Cb 0.00 -2.73 -0.02 0.00 0.01 0.00 0.00 72.50 69.76 1tnn s THR 30 CO 0.00 -0.28 0.01 0.54 -0.69 0.00 0.00 174.62 174.20 1tnn s VAL 31 N -2.46 0.12 -0.43 3.82 0.11 -1.26 -1.24 120.40 119.08 1tnn s VAL 31 Ca 0.33 -1.02 0.05 0.00 -2.93 0.00 0.00 61.98 58.40 1tnn s VAL 31 Cb -0.03 -0.54 0.17 0.00 -1.53 0.00 0.00 36.38 34.45 1tnn s VAL 31 CO 0.19 -0.56 0.46 -0.89 -3.33 0.00 0.00 175.10 170.97 1tnn s THR 32 N -1.94 -0.29 0.45 5.04 2.01 0.19 -4.92 115.64 116.18 1tnn s THR 32 Ca -0.11 -1.56 -0.25 0.00 0.31 0.00 0.00 61.69 60.08 1tnn s THR 32 Cb -0.06 -0.68 -0.09 0.00 0.01 0.00 0.00 72.50 71.68 1tnn s THR 32 CO -0.02 -0.65 1.29 0.79 -0.69 0.00 0.00 174.62 175.34 1tnn n TRP 33 N 3.40 2.18 -3.40 4.92 7.02 -1.26 -1.79 117.44 128.51 1tnn n TRP 33 Ca 0.20 0.48 0.02 0.00 -1.02 0.00 0.00 57.50 57.17 1tnn n TRP 33 Cb 0.49 -2.38 -0.05 0.00 -2.42 0.00 0.00 31.31 26.96 1tnn n TRP 33 CO 0.00 0.00 0.00 -0.48 -2.02 0.00 0.00 177.69 175.19 1tnn s LEU 34 N -2.08 -0.36 -0.43 -0.99 0.05 -0.61 -2.24 118.68 112.01 1tnn s LEU 34 Ca 0.63 0.52 -0.18 0.00 0.05 0.00 0.00 54.13 55.14 1tnn s LEU 34 Cb -0.48 1.44 0.03 0.00 -2.05 0.00 0.00 46.19 45.12 1tnn s LEU 34 CO 0.56 -0.07 0.50 -0.60 -0.55 0.00 0.00 176.35 176.18 1tnn s ARG 35 N 2.03 3.13 -1.60 1.48 3.52 -1.26 -2.60 118.95 123.65 1tnn s ARG 35 Ca -0.03 -0.70 0.00 0.00 -0.13 0.00 0.00 55.73 54.86 1tnn s ARG 35 Cb -0.04 -3.98 0.00 0.00 -1.56 0.00 0.00 34.95 29.37 1tnn s ARG 35 CO -0.16 -0.92 0.00 1.63 -0.81 0.00 0.00 175.30 175.04 1tnn n LYS 36 N 5.78 -1.57 -2.07 5.12 4.01 -1.26 -2.71 118.16 125.45 1tnn n LYS 36 Ca -0.06 0.90 -0.01 0.00 -0.51 0.00 0.00 58.31 58.63 1tnn n LYS 36 Cb 0.47 -5.31 0.00 0.00 -0.51 0.00 0.00 35.03 29.69 1tnn n LYS 36 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1tnn n GLY 37 N -0.50 -0.74 0.66 0.72 0.00 -1.25 -4.99 105.19 99.08 1tnn n GLY 37 Ca -0.17 0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.05 1tnn n GLY 37 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1tnn n GLN 38 N -1.04 0.51 -1.20 1.61 7.27 -1.10 -5.08 117.38 118.36 1tnn n GLN 38 Ca 0.01 -1.93 0.00 0.00 0.07 0.00 0.00 57.00 55.16 1tnn n GLN 38 Cb 0.40 -0.76 0.00 0.00 2.41 0.00 0.00 30.24 32.29 1tnn n GLN 38 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 1tnn n VAL 39 N -0.36 -0.44 0.11 1.69 0.24 -1.25 -4.78 118.33 113.53 1tnn n VAL 39 Ca 0.08 0.04 -0.13 0.00 -2.04 0.00 0.00 64.34 62.29 1tnn n VAL 39 Cb 0.79 -0.95 -0.08 0.00 -1.47 0.00 0.00 33.84 32.14 1tnn n VAL 39 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1tnn h LEU 40 N 2.85 -0.27 -1.64 1.34 4.07 -1.81 -3.43 115.31 116.43 1tnn h LEU 40 Ca 0.00 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.72 1tnn h LEU 40 Cb 0.08 0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.89 1tnn h LEU 40 CO 0.00 0.14 0.00 -1.54 -1.08 0.00 0.00 178.44 175.96 1tnn n SER 41 N -5.06 0.00 -3.67 -0.43 3.41 -1.26 -0.05 113.62 106.56 1tnn n SER 41 Ca -0.09 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.24 1tnn n SER 41 Cb 0.25 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.23 1tnn n SER 41 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1tnn n THR 42 N -0.61 -5.58 0.00 6.66 -2.24 -1.26 -4.87 114.28 106.37 1tnn n THR 42 Ca 0.00 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1tnn n THR 42 Cb 0.00 -4.18 0.00 0.00 -2.10 0.00 0.00 70.33 64.05 1tnn n THR 42 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1tnn n SER 43 N -2.48 0.00 0.00 3.42 7.64 0.93 -4.93 113.62 118.20 1tnn n SER 43 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1tnn n SER 43 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1tnn n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tnn n ALA 44 N -2.11 0.00 -2.11 -0.43 0.00 -1.26 -4.71 120.51 109.89 1tnn n ALA 44 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1tnn n ALA 44 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1tnn n ALA 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1tnn n ARG 45 N -0.27 0.20 -1.34 0.00 1.74 -1.26 -5.09 116.66 110.64 1tnn n ARG 45 Ca 0.00 -1.67 -0.11 0.00 -0.77 0.00 0.00 57.85 55.30 1tnn n ARG 45 Cb 0.00 -0.44 0.06 0.00 -1.02 0.00 0.00 32.46 31.06 1tnn n ARG 45 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1tnn n HIS 46 N 0.02 -3.36 -2.82 -1.55 8.25 -1.26 -3.87 115.22 110.63 1tnn n HIS 46 Ca 0.05 -0.72 -0.11 0.00 -0.26 0.00 0.00 57.72 56.68 1tnn n HIS 46 Cb 0.88 -0.35 0.05 0.00 1.12 0.00 0.00 29.99 31.69 1tnn n HIS 46 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1tnn n GLN 47 N -1.90 1.08 -0.66 -0.41 7.27 0.31 -4.59 117.38 118.48 1tnn n GLN 47 Ca 0.07 -2.63 -0.32 0.00 0.07 0.00 0.00 57.00 54.20 1tnn n GLN 47 Cb 0.26 -1.02 0.18 0.00 2.41 0.00 0.00 30.24 32.07 1tnn n GLN 47 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1tnn n VAL 48 N -0.00 0.00 -3.87 1.69 0.31 -1.26 -2.76 118.33 112.44 1tnn n VAL 48 Ca 0.10 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1tnn n VAL 48 Cb 0.76 -0.69 0.01 0.00 -0.91 0.00 0.00 33.84 33.01 1tnn n VAL 48 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1tnn n THR 49 N -4.38 0.00 -4.03 2.52 5.66 0.20 -4.73 114.28 109.52 1tnn n THR 49 Ca 0.03 -0.19 -0.02 0.00 -3.05 0.00 0.00 64.05 60.82 1tnn n THR 49 Cb 0.59 0.40 -0.01 0.00 -1.55 0.00 0.00 70.33 69.77 1tnn n THR 49 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1tnn n THR 50 N -0.53 0.00 -3.87 1.09 -2.24 -1.26 -1.89 114.28 105.58 1tnn n THR 50 Ca 0.01 -0.19 -0.09 0.00 -2.27 0.00 0.00 64.05 61.52 1tnn n THR 50 Cb 0.36 0.08 -0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1tnn n THR 50 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1tnn s THR 51 N -1.81 0.00 0.02 4.28 2.01 0.36 -4.55 115.64 115.95 1tnn s THR 51 Ca 0.02 -1.09 -0.06 0.00 0.31 0.00 0.00 61.69 60.87 1tnn s THR 51 Cb 0.00 -2.51 -0.02 0.00 0.01 0.00 0.00 72.50 69.98 1tnn s THR 51 CO 0.02 0.00 1.10 0.50 -0.69 0.00 0.00 174.62 175.55 1tnn h LYS 52 N 2.03 -0.08 -0.17 4.92 1.63 -2.01 -3.19 116.57 119.70 1tnn h LYS 52 Ca -0.27 0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 59.41 1tnn h LYS 52 Cb 1.25 0.02 -0.12 0.00 -0.60 0.00 0.00 32.23 32.78 1tnn h LYS 52 CO 0.34 -0.05 -0.60 0.98 -3.45 0.00 0.00 179.45 176.67 1tnn n TYR 53 N -3.19 0.60 -3.92 1.91 4.19 -1.26 -4.74 117.16 110.75 1tnn n TYR 53 Ca -0.01 -1.61 -0.11 0.00 3.31 0.00 0.00 57.90 59.48 1tnn n TYR 53 Cb 0.07 -0.26 -0.00 0.00 0.49 0.00 0.00 39.34 39.63 1tnn n TYR 53 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 1tnn s LYS 54 N -3.16 2.08 0.17 2.98 1.02 -1.21 -3.28 119.74 118.34 1tnn s LYS 54 Ca 0.40 -1.54 -0.01 0.00 0.02 0.00 0.00 55.97 54.85 1tnn s LYS 54 Cb 0.38 0.55 -0.04 0.00 -0.52 0.00 0.00 37.83 38.20 1tnn s LYS 54 CO -0.05 -0.93 0.08 0.45 -0.92 0.00 0.00 175.35 173.98 1tnn s SER 55 N -3.13 0.41 -0.15 2.83 0.15 -0.86 0.14 113.70 113.09 1tnn s SER 55 Ca 0.21 -1.28 -0.09 0.00 0.70 0.00 0.00 55.95 55.49 1tnn s SER 55 Cb -0.03 0.30 0.05 0.00 -1.71 0.00 0.00 66.02 64.63 1tnn s SER 55 CO 0.15 -0.75 0.36 -0.89 1.20 0.00 0.00 173.24 173.30 1tnn s THR 56 N -4.03 -0.02 -0.34 6.45 2.01 -0.79 -1.01 115.64 117.91 1tnn s THR 56 Ca 0.30 0.09 -0.05 0.00 0.31 0.00 0.00 61.69 62.34 1tnn s THR 56 Cb 0.07 -0.53 0.05 0.00 0.01 0.00 0.00 72.50 72.10 1tnn s THR 56 CO 0.06 0.04 0.10 0.12 -0.69 0.00 0.00 174.62 174.25 1tnn s PHE 57 N 1.13 3.29 -0.37 4.92 5.36 -0.85 0.61 117.98 132.06 1tnn s PHE 57 Ca -0.08 -1.60 -0.04 0.00 -0.96 0.00 0.00 56.93 54.26 1tnn s PHE 57 Cb -0.08 -2.36 0.08 0.00 -0.34 0.00 0.00 43.02 40.33 1tnn s PHE 57 CO -0.09 -0.77 0.15 -2.00 -1.46 0.00 0.00 175.22 171.04 1tnn s GLU 58 N 1.35 2.27 -1.30 10.12 -6.30 -1.11 -0.88 118.70 122.85 1tnn s GLU 58 Ca -0.01 -1.55 -0.15 0.00 -2.50 0.00 0.00 54.97 50.76 1tnn s GLU 58 Cb -0.20 -3.49 0.11 0.00 0.00 0.00 0.00 34.13 30.55 1tnn s GLU 58 CO 0.01 -0.89 1.76 -0.89 0.02 0.00 0.00 175.26 175.28 1tnn n ILE 59 N 4.67 4.00 -1.41 -3.70 -0.00 -1.00 0.11 119.36 122.03 1tnn n ILE 59 Ca -0.07 -4.13 -0.31 0.00 -0.00 0.00 0.00 62.75 58.24 1tnn n ILE 59 Cb 0.42 -2.43 0.08 0.00 -0.00 0.00 0.00 39.64 37.71 1tnn n ILE 59 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 1tnn s SER 60 N 3.24 4.74 -0.91 4.38 1.04 -1.25 -3.69 113.70 121.24 1tnn s SER 60 Ca 0.48 1.85 -0.10 0.00 0.48 0.00 0.00 55.95 58.65 1tnn s SER 60 Cb 0.05 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.65 1tnn s SER 60 CO 0.02 -1.88 0.60 -1.54 0.98 0.00 0.00 173.24 171.42 1tnn n SER 61 N -3.21 -4.43 -4.60 7.02 3.41 -1.26 -4.49 113.62 106.06 1tnn n SER 61 Ca 0.09 -1.05 -0.43 0.00 -0.26 0.00 0.00 58.87 57.22 1tnn n SER 61 Cb 0.53 -1.54 -0.04 0.00 -0.26 0.00 0.00 64.21 62.91 1tnn n SER 61 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1tnn s VAL 62 N -3.14 4.54 0.00 -3.33 1.01 -1.26 -4.86 120.40 113.37 1tnn s VAL 62 Ca 0.14 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.25 1tnn s VAL 62 Cb -0.08 -4.37 0.00 0.00 0.00 0.00 0.00 36.38 31.93 1tnn s VAL 62 CO 0.89 -0.61 0.00 0.00 0.00 0.00 0.00 175.10 175.38 1tnn n GLN 63 N 6.90 1.50 -1.10 2.72 1.13 -1.26 -3.49 117.38 123.78 1tnn n GLN 63 Ca 0.07 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 54.96 1tnn n GLN 63 Cb 0.48 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.77 1tnn n GLN 63 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1tnn n ALA 64 N -3.00 5.84 -2.43 -1.58 0.00 -1.26 -3.91 120.51 114.17 1tnn n ALA 64 Ca 0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 53.44 51.37 1tnn n ALA 64 Cb 0.00 -1.89 0.06 0.00 0.00 0.00 0.00 19.45 17.62 1tnn n ALA 64 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1tnn n SER 65 N 1.29 -1.24 0.00 0.00 3.41 -1.26 -4.90 113.62 110.91 1tnn n SER 65 Ca 0.37 -2.14 0.00 0.00 -0.26 0.00 0.00 58.87 56.84 1tnn n SER 65 Cb 0.65 0.53 0.00 0.00 -0.26 0.00 0.00 64.21 65.13 1tnn n SER 65 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1tnn n ASP 66 N -0.98 0.19 0.00 4.04 9.92 -1.25 -4.94 116.55 123.53 1tnn n ASP 66 Ca -0.21 -0.55 0.00 0.00 -0.53 0.00 0.00 54.79 53.50 1tnn n ASP 66 Cb 0.82 0.29 0.00 0.00 -0.64 0.00 0.00 41.12 41.59 1tnn n ASP 66 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1tnn n GLU 67 N -0.29 0.00 0.00 -1.24 0.00 -1.26 -4.86 120.64 112.99 1tnn n GLU 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1tnn n GLU 67 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.49 1tnn n GLU 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1tnn n GLY 68 N 0.00 0.38 0.00 -1.84 0.00 -1.00 -3.90 105.19 98.83 1tnn n GLY 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1tnn n GLY 68 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1tnn n ASN 69 N -0.32 0.00 -4.44 1.61 4.13 -1.25 -3.11 115.26 111.88 1tnn n ASN 69 Ca 0.00 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 55.93 1tnn n ASN 69 Cb 0.00 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.11 1tnn n ASN 69 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1tnn s TYR 70 N 0.00 2.78 0.16 3.10 2.02 0.83 -4.29 117.35 121.95 1tnn s TYR 70 Ca 0.00 -0.36 0.01 0.00 -0.37 0.00 0.00 57.07 56.34 1tnn s TYR 70 Cb 0.00 -1.74 -0.00 0.00 -0.40 0.00 0.00 41.96 39.82 1tnn s TYR 70 CO 0.00 0.01 0.02 0.43 -1.57 0.00 0.00 175.55 174.45 1tnn n SER 71 N 2.88 1.82 -3.42 2.29 7.64 -1.07 -0.96 113.62 122.81 1tnn n SER 71 Ca -0.18 -1.75 -0.17 0.00 1.01 0.00 0.00 58.87 57.78 1tnn n SER 71 Cb 0.52 0.23 -0.11 0.00 -1.01 0.00 0.00 64.21 63.85 1tnn n SER 71 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1tnn s VAL 72 N -1.82 -0.39 -0.52 0.44 0.11 -0.83 -1.57 120.40 115.82 1tnn s VAL 72 Ca 0.03 -0.36 -0.29 0.00 -2.93 0.00 0.00 61.98 58.44 1tnn s VAL 72 Cb 0.00 -0.89 0.03 0.00 -1.53 0.00 0.00 36.38 33.99 1tnn s VAL 72 CO 0.02 -0.38 1.15 -0.69 -3.33 0.00 0.00 175.10 171.88 1tnn s VAL 73 N 2.36 4.14 -0.21 2.04 1.01 -0.74 -1.02 120.40 127.98 1tnn s VAL 73 Ca 0.09 1.07 -0.00 0.00 0.00 0.00 0.00 61.98 63.14 1tnn s VAL 73 Cb -0.15 -4.65 0.02 0.00 0.00 0.00 0.00 36.38 31.61 1tnn s VAL 73 CO -0.26 -1.13 -0.14 0.68 0.00 0.00 0.00 175.10 174.25 1tnn s VAL 74 N 4.62 2.45 0.53 2.92 -7.23 0.36 0.56 120.40 124.61 1tnn s VAL 74 Ca 0.45 -0.95 -0.09 0.00 -1.81 0.00 0.00 61.98 59.58 1tnn s VAL 74 Cb -0.07 -2.13 0.13 0.00 0.56 0.00 0.00 36.38 34.86 1tnn s VAL 74 CO 0.29 0.40 0.53 -0.62 -0.31 0.00 0.00 175.10 175.38 1tnn n GLU 75 N 4.64 -1.65 -3.87 4.82 1.02 -0.37 -0.48 120.64 124.75 1tnn n GLU 75 Ca -0.19 -0.83 -0.08 0.00 -0.02 0.00 0.00 57.16 56.04 1tnn n GLU 75 Cb 0.49 -0.72 -0.02 0.00 -0.02 0.00 0.00 31.44 31.17 1tnn n GLU 75 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1tnn s ASN 76 N -2.95 -0.17 0.00 1.62 2.47 0.16 -3.12 114.94 112.96 1tnn s ASN 76 Ca 0.33 -0.76 0.15 0.00 0.42 0.00 0.00 52.86 53.00 1tnn s ASN 76 Cb -0.03 0.73 0.89 0.00 -1.45 0.00 0.00 41.25 41.40 1tnn s ASN 76 CO 0.25 -1.39 1.31 -1.54 -3.72 0.00 0.00 177.10 172.01 1tnn n SER 77 N -0.64 0.00 0.00 -4.21 3.41 -1.26 -2.83 113.62 108.09 1tnn n SER 77 Ca -0.04 -0.55 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 1tnn n SER 77 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1tnn n SER 77 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1tnn n GLU 78 N -0.96 0.10 0.00 4.33 1.02 -1.26 -5.02 120.64 118.85 1tnn n GLU 78 Ca 0.11 -0.35 0.00 0.00 -0.02 0.00 0.00 57.16 56.90 1tnn n GLU 78 Cb 0.05 -0.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 1tnn n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tnn n GLY 79 N -0.05 -0.35 3.89 0.62 0.00 -1.13 -5.14 105.19 103.04 1tnn n GLY 79 Ca 0.00 -1.34 -0.31 0.00 0.00 0.00 0.00 46.02 44.37 1tnn n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tnn s LYS 80 N -1.94 3.71 0.26 1.61 0.00 -1.26 0.40 119.74 122.51 1tnn s LYS 80 Ca 0.00 0.10 0.05 0.00 0.00 0.00 0.00 55.97 56.12 1tnn s LYS 80 Cb 0.00 -2.70 -0.02 0.00 0.00 0.00 0.00 37.83 35.11 1tnn s LYS 80 CO 0.00 0.33 0.25 1.04 0.00 0.00 0.00 175.35 176.97 1tnn n GLN 81 N -0.27 0.36 -3.61 1.78 1.13 0.36 -4.88 117.38 112.25 1tnn n GLN 81 Ca -0.01 -2.47 -0.04 0.00 -1.94 0.00 0.00 57.00 52.55 1tnn n GLN 81 Cb 0.53 2.09 -0.02 0.00 0.11 0.00 0.00 30.24 32.95 1tnn n GLN 81 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1tnn s GLU 82 N -2.95 0.65 0.34 -1.09 4.04 -1.26 -0.49 118.70 117.94 1tnn s GLU 82 Ca 0.29 -0.30 0.07 0.00 0.04 0.00 0.00 54.97 55.06 1tnn s GLU 82 Cb 0.01 0.26 -0.02 0.00 0.02 0.00 0.00 34.13 34.40 1tnn s GLU 82 CO 0.20 -0.29 0.31 0.00 -1.84 0.00 0.00 175.26 173.65 1tnn n ALA 83 N -0.30 0.59 -3.53 -0.84 0.00 -0.19 -4.88 120.51 111.36 1tnn n ALA 83 Ca -0.05 -1.93 -0.13 0.00 0.00 0.00 0.00 53.44 51.32 1tnn n ALA 83 Cb 0.61 1.56 -0.05 0.00 0.00 0.00 0.00 19.45 21.57 1tnn n ALA 83 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1tnn s GLU 84 N -3.30 0.85 0.00 0.00 -1.05 -1.26 -1.96 118.70 111.98 1tnn s GLU 84 Ca 0.39 0.07 0.00 0.00 -0.15 0.00 0.00 54.97 55.28 1tnn s GLU 84 Cb 0.02 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 34.10 1tnn s GLU 84 CO 0.28 -0.29 0.00 1.97 0.95 0.00 0.00 175.26 178.16 1tnn n PHE 85 N 0.56 -0.64 -3.67 4.83 -1.74 -0.13 -4.88 117.46 111.78 1tnn n PHE 85 Ca -0.14 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.66 1tnn n PHE 85 Cb 0.59 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.49 1tnn n PHE 85 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1tnn s THR 86 N -2.72 -0.37 -0.66 1.97 -4.23 -1.26 -0.12 115.64 108.26 1tnn s THR 86 Ca 0.00 0.13 0.02 0.00 -1.18 0.00 0.00 61.69 60.66 1tnn s THR 86 Cb 0.00 -0.65 0.16 0.00 1.34 0.00 0.00 72.50 73.35 1tnn s THR 86 CO 0.00 0.06 0.45 -0.22 -0.54 0.00 0.00 174.62 174.37 1tnn s LEU 87 N 2.07 4.87 0.46 4.79 2.96 -1.18 -1.60 118.68 131.06 1tnn s LEU 87 Ca -0.05 -3.36 -0.04 0.00 -0.22 0.00 0.00 54.13 50.45 1tnn s LEU 87 Cb -0.10 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 1tnn s LEU 87 CO -0.13 -0.21 0.75 -0.89 -1.32 0.00 0.00 176.35 174.56 1tnn s THR 88 N -0.78 4.94 0.44 3.68 2.01 -1.05 -2.39 115.64 122.48 1tnn s THR 88 Ca 0.21 0.11 0.07 0.00 0.31 0.00 0.00 61.69 62.39 1tnn s THR 88 Cb -0.15 -3.86 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 1tnn s THR 88 CO -0.08 -0.81 0.30 0.27 -0.69 0.00 0.00 174.62 173.62 1tnn s ILE 89 N -2.68 2.34 -0.30 1.82 -0.00 -1.25 0.17 121.20 121.30 1tnn s ILE 89 Ca 0.46 -1.51 -0.03 0.00 -0.00 0.00 0.00 60.65 59.57 1tnn s ILE 89 Cb -0.10 -2.85 0.11 0.00 -0.00 0.00 0.00 42.46 39.61 1tnn s ILE 89 CO 0.44 0.00 0.14 -1.10 -0.00 0.00 0.00 174.94 174.42 1tnn s GLN 90 N -4.06 0.29 0.00 0.37 -1.52 -0.73 -4.86 119.66 109.15 1tnn s GLN 90 Ca 0.43 -0.71 0.00 0.00 -1.95 0.00 0.00 55.36 53.12 1tnn s GLN 90 Cb -0.00 -1.24 0.00 0.00 -0.22 0.00 0.00 33.01 31.55 1tnn s GLN 90 CO 0.24 -1.05 0.20 0.36 -0.25 0.00 0.00 175.29 174.79