#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 -9.27 -0.08 0.55 5.41 -1.26 -4.80 119.36 109.91 1tnn n ILE 2 Ca 0.00 0.94 0.16 0.00 1.00 0.00 0.00 62.75 64.84 1tnn n ILE 2 Cb 0.00 -6.18 0.56 0.00 -0.71 0.00 0.00 39.64 33.31 1tnn n ILE 2 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1tnn h LEU 3 N 2.40 0.26 -7.00 1.39 4.07 -0.74 -3.44 115.31 112.24 1tnn h LEU 3 Ca -0.11 0.01 0.02 0.00 0.08 0.00 0.00 57.88 57.88 1tnn h LEU 3 Cb 0.85 -0.04 -0.17 0.00 1.08 0.00 0.00 40.66 42.38 1tnn h LEU 3 CO 0.17 0.14 0.33 -0.89 -1.08 0.00 0.00 178.44 177.11 1tnn s THR 4 N -5.27 0.00 0.33 0.22 2.01 -1.18 -4.92 115.64 106.83 1tnn s THR 4 Ca -0.07 0.00 0.02 0.00 0.31 0.00 0.00 61.69 61.95 1tnn s THR 4 Cb 0.20 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 1tnn s THR 4 CO 0.75 0.00 0.50 -0.54 -0.69 0.00 0.00 174.62 174.64 1tnn s LYS 5 N -2.33 3.40 0.87 4.92 1.02 -1.26 -2.14 119.74 124.22 1tnn s LYS 5 Ca -0.02 -0.52 -0.12 0.00 0.02 0.00 0.00 55.97 55.33 1tnn s LYS 5 Cb -0.01 -2.73 0.11 0.00 -0.52 0.00 0.00 37.83 34.69 1tnn s LYS 5 CO -0.02 0.18 1.12 -1.25 -0.92 0.00 0.00 175.35 174.46 1tnn s PRO 6 N -4.23 1.50 0.00 -1.68 0.04 -1.26 -4.77 135.00 124.60 1tnn s PRO 6 Ca 0.39 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.85 1tnn s PRO 6 Cb -0.09 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1tnn s PRO 6 CO 0.34 -1.97 0.00 0.54 0.04 0.00 0.00 177.00 175.94 1tnn n ARG 7 N -3.64 1.23 -3.90 4.56 1.74 -1.26 -4.97 116.66 110.42 1tnn n ARG 7 Ca 0.07 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.05 1tnn n ARG 7 Cb 0.58 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.97 1tnn n ARG 7 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1tnn s SER 8 N -1.00 -0.11 0.00 0.55 0.01 -1.26 -4.67 113.70 107.22 1tnn s SER 8 Ca 0.00 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.50 1tnn s SER 8 Cb 0.00 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.77 1tnn s SER 8 CO 0.00 -1.03 0.00 1.15 0.41 0.00 0.00 173.24 173.77 1tnn n MET 9 N -0.31 -1.20 -3.58 12.44 0.00 -0.75 -4.99 117.12 118.72 1tnn n MET 9 Ca -0.06 0.00 -0.19 0.00 0.00 0.00 0.00 57.70 57.45 1tnn n MET 9 Cb 0.62 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.70 1tnn n MET 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1tnn s THR 10 N -3.00 -0.27 0.04 3.17 2.01 -1.26 -2.57 115.64 113.76 1tnn s THR 10 Ca 0.00 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.08 1tnn s THR 10 Cb 0.00 -0.50 0.00 0.00 0.01 0.00 0.00 72.50 72.01 1tnn s THR 10 CO 0.00 -0.06 0.03 1.33 -0.69 0.00 0.00 174.62 175.22 1tnn n VAL 11 N 5.32 0.00 -0.05 3.82 0.24 -0.59 -4.87 118.33 122.19 1tnn n VAL 11 Ca -0.05 -0.17 -0.12 0.00 -2.04 0.00 0.00 64.34 61.97 1tnn n VAL 11 Cb 0.50 -0.39 -0.04 0.00 -1.47 0.00 0.00 33.84 32.44 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 -0.52 0.00 -2.87 6.34 4.02 -1.26 -1.78 117.16 121.09 1tnn n TYR 12 Ca -0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.91 1tnn n TYR 12 Cb 0.05 -0.43 0.00 0.00 -0.02 0.00 0.00 39.34 38.94 1tnn n TYR 12 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 1tnn s GLU 13 N -2.36 0.16 -1.07 -0.72 -1.05 -1.26 -1.85 118.70 110.55 1tnn s GLU 13 Ca -0.19 -0.01 -0.01 0.00 -0.15 0.00 0.00 54.97 54.61 1tnn s GLU 13 Cb 0.06 0.03 0.00 0.00 -0.44 0.00 0.00 34.13 33.78 1tnn s GLU 13 CO 0.25 -0.25 0.10 0.41 0.95 0.00 0.00 175.26 176.72 1tnn n GLY 14 N 4.06 -0.14 0.17 -3.83 0.00 -1.26 -4.68 105.19 99.51 1tnn n GLY 14 Ca 0.07 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.22 0.00 0.00 1.61 3.07 -1.92 -3.46 114.58 113.66 1tnn h GLU 15 Ca -0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 1tnn h GLU 15 Cb 1.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 1tnn h GLU 15 CO 0.36 0.07 0.00 0.45 -1.40 0.00 0.00 179.01 178.49 1tnn n SER 16 N -2.97 0.00 -3.03 1.42 2.88 -1.26 -5.06 113.62 105.60 1tnn n SER 16 Ca 0.02 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1tnn n SER 16 Cb 0.57 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.03 1tnn n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1tnn n ALA 17 N 0.00 -1.60 -3.72 -1.46 0.00 -1.26 -4.50 120.51 107.96 1tnn n ALA 17 Ca 0.00 0.33 -0.22 0.00 0.00 0.00 0.00 53.44 53.55 1tnn n ALA 17 Cb 0.00 -1.07 -0.17 0.00 0.00 0.00 0.00 19.45 18.21 1tnn n ALA 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1tnn s ARG 18 N -0.32 0.73 -0.58 0.00 3.52 -1.26 -2.74 118.95 118.30 1tnn s ARG 18 Ca -0.04 0.01 0.05 0.00 -0.13 0.00 0.00 55.73 55.62 1tnn s ARG 18 Cb 0.00 -0.94 0.19 0.00 -1.56 0.00 0.00 34.95 32.64 1tnn s ARG 18 CO 0.13 -0.21 0.50 1.19 -0.81 0.00 0.00 175.30 176.10 1tnn n PHE 19 N 4.69 1.81 -3.42 5.12 3.01 -0.67 -4.61 117.46 123.39 1tnn n PHE 19 Ca -0.15 -3.93 -0.41 0.00 1.01 0.00 0.00 57.45 53.97 1tnn n PHE 19 Cb 0.50 -0.34 -0.10 0.00 -0.01 0.00 0.00 39.48 39.53 1tnn n PHE 19 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1tnn s SER 20 N -1.21 6.15 0.01 4.37 0.15 -1.26 -1.97 113.70 119.93 1tnn s SER 20 Ca 0.31 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.52 1tnn s SER 20 Cb 0.04 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 1tnn s SER 20 CO -0.14 -0.38 0.01 0.00 1.20 0.00 0.00 173.24 173.93 1tnn s ASP 22 N -1.06 0.97 -0.28 0.00 -1.08 -0.91 -2.71 116.67 111.60 1tnn s ASP 22 Ca 0.01 -0.74 -0.18 0.00 -0.52 0.00 0.00 52.55 51.11 1tnn s ASP 22 Cb -0.00 0.06 0.11 0.00 -1.46 0.00 0.00 42.92 41.63 1tnn s ASP 22 CO 0.00 -0.32 0.83 0.28 0.52 0.00 0.00 175.17 176.49 1tnn s THR 23 N -2.33 0.00 0.38 1.71 -1.32 -0.97 0.00 115.64 113.11 1tnn s THR 23 Ca -0.01 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.55 1tnn s THR 23 Cb -0.04 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.92 1tnn s THR 23 CO -0.02 0.00 0.26 1.51 -2.21 0.00 0.00 174.62 174.16 1tnn s ASP 24 N 1.22 4.85 0.07 8.08 -4.77 -1.26 -4.46 116.67 120.41 1tnn s ASP 24 Ca -0.07 -0.78 -0.27 0.00 -3.30 0.00 0.00 52.55 48.13 1tnn s ASP 24 Cb -0.05 -0.66 0.09 0.00 -1.09 0.00 0.00 42.92 41.22 1tnn s ASP 24 CO -0.14 -0.48 1.15 -0.83 0.70 0.00 0.00 175.17 175.57 1tnn s GLY 25 N -3.98 -0.18 -0.62 2.12 0.00 -1.26 -4.10 107.32 99.30 1tnn s GLY 25 Ca 0.43 0.17 0.05 0.00 0.00 0.00 0.00 44.72 45.36 1tnn s GLY 25 CO 0.25 1.79 0.43 -0.54 0.00 0.00 0.00 173.10 175.03 1tnn s GLU 26 N -2.46 2.07 0.00 2.90 8.01 -1.26 -2.83 118.70 125.13 1tnn s GLU 26 Ca 0.19 -2.98 0.00 0.00 0.01 0.00 0.00 54.97 52.18 1tnn s GLU 26 Cb 0.01 -3.00 0.00 0.00 -4.31 0.00 0.00 34.13 26.83 1tnn s GLU 26 CO 0.00 -1.28 0.00 -0.35 0.01 0.00 0.00 175.26 173.64 1tnn n PRO 27 N 2.32 1.29 -1.45 0.39 -0.04 -1.26 -4.91 135.00 131.34 1tnn n PRO 27 Ca 0.19 0.00 -0.51 0.00 -0.04 0.00 0.00 63.50 63.14 1tnn n PRO 27 Cb 0.37 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.78 1tnn n PRO 27 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1tnn n VAL 28 N -0.43 1.29 -0.50 0.52 0.31 -1.13 -4.86 118.33 113.53 1tnn n VAL 28 Ca 0.00 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 1tnn n VAL 28 Cb 0.00 -0.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 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 1.20 1.22 -4.67 5.55 -0.04 -1.26 -4.82 135.00 132.18 1tnn n PRO 29 Ca 0.18 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.33 1tnn n PRO 29 Cb 0.20 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.58 1tnn n PRO 29 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1tnn s THR 30 N 0.24 1.33 0.20 0.52 -1.32 -0.83 -5.00 115.64 110.78 1tnn s THR 30 Ca 0.00 -1.96 0.04 0.00 -1.21 0.00 0.00 61.69 58.57 1tnn s THR 30 Cb 0.00 -2.28 -0.05 0.00 -1.51 0.00 0.00 72.50 68.66 1tnn s THR 30 CO 0.00 0.00 -0.05 0.54 -2.21 0.00 0.00 174.62 172.90 1tnn s VAL 31 N -2.84 1.15 -0.42 5.08 0.11 -1.26 -2.60 120.40 119.62 1tnn s VAL 31 Ca 0.12 -2.06 0.07 0.00 -2.93 0.00 0.00 61.98 57.18 1tnn s VAL 31 Cb 0.02 -2.13 0.23 0.00 -1.53 0.00 0.00 36.38 32.97 1tnn s VAL 31 CO 0.07 -0.51 0.55 0.41 -3.33 0.00 0.00 175.10 172.29 1tnn n THR 32 N -0.33 -0.66 -1.71 5.04 -1.04 0.26 -4.92 114.28 110.92 1tnn n THR 32 Ca -0.07 -3.37 -0.40 0.00 -2.04 0.00 0.00 64.05 58.17 1tnn n THR 32 Cb 0.62 -1.23 0.02 0.00 -1.82 0.00 0.00 70.33 67.92 1tnn n THR 32 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1tnn n TRP 33 N 1.80 2.16 0.00 -1.42 7.02 -1.26 -2.01 117.44 123.72 1tnn n TRP 33 Ca 0.21 0.48 0.00 0.00 -1.02 0.00 0.00 57.50 57.16 1tnn n TRP 33 Cb 0.54 -2.37 0.00 0.00 -2.42 0.00 0.00 31.31 27.05 1tnn n TRP 33 CO 0.00 0.00 0.00 1.47 -2.02 0.00 0.00 177.69 177.14 1tnn n LEU 34 N -0.10 0.00 0.00 -0.99 -0.00 0.39 -2.01 117.00 114.28 1tnn n LEU 34 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1tnn n LEU 34 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 1tnn n LEU 34 CO 0.58 0.00 0.00 -1.14 -0.00 0.00 0.00 177.39 176.83 1tnn n ARG 35 N -0.48 0.00 0.08 1.47 3.00 -1.26 -0.94 116.66 118.52 1tnn n ARG 35 Ca 0.00 0.07 0.05 0.00 -0.00 0.00 0.00 57.85 57.97 1tnn n ARG 35 Cb 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 32.46 32.06 1tnn n ARG 35 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 1tnn h LYS 36 N 0.00 0.00 0.00 -0.14 -0.00 -1.97 -3.44 116.57 111.01 1tnn h LYS 36 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1tnn h LYS 36 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1tnn h LYS 36 CO 0.00 0.18 0.00 0.41 -0.00 0.00 0.00 179.45 180.04 1tnn n GLY 37 N 1.28 0.53 1.33 0.07 0.00 -1.26 -5.07 105.19 102.08 1tnn n GLY 37 Ca -0.04 -0.41 0.03 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 0.00 -1.81 1.61 7.27 -1.26 -5.08 117.38 118.11 1tnn n GLN 38 Ca 0.00 -1.82 0.00 0.00 0.07 0.00 0.00 57.00 55.25 1tnn n GLN 38 Cb 0.00 -0.06 0.00 0.00 2.41 0.00 0.00 30.24 32.59 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 0.41 -0.68 0.27 1.69 0.24 -1.21 -4.72 118.33 114.33 1tnn n VAL 39 Ca 0.04 0.06 0.15 0.00 -2.04 0.00 0.00 64.34 62.55 1tnn n VAL 39 Cb 1.07 -1.48 0.75 0.00 -1.47 0.00 0.00 33.84 32.71 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 3.50 0.00 -8.07 1.34 4.07 -1.75 -3.38 115.31 111.02 1tnn h LEU 40 Ca 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.81 1tnn h LEU 40 Cb 0.11 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.80 1tnn h LEU 40 CO 0.00 0.00 1.12 -1.54 -1.08 0.00 0.00 178.44 176.94 1tnn n SER 41 N -2.58 -0.69 -3.95 -0.43 3.41 -1.26 -2.98 113.62 105.14 1tnn n SER 41 Ca -0.01 -1.21 -0.42 0.00 -0.26 0.00 0.00 58.87 56.97 1tnn n SER 41 Cb 0.12 -0.90 0.03 0.00 -0.26 0.00 0.00 64.21 63.19 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 6.26 -3.71 0.00 6.66 -2.24 -1.26 -4.89 114.28 115.10 1tnn n THR 42 Ca 0.41 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1tnn n THR 42 Cb 0.34 -2.94 0.00 0.00 -2.10 0.00 0.00 70.33 65.63 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 -2.31 0.00 0.00 3.42 7.64 -1.16 -4.89 113.62 116.33 1tnn n SER 43 Ca -0.11 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.43 1tnn n SER 43 Cb 0.57 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 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 -1.80 1.95 -0.28 -0.43 0.00 -1.26 -4.91 120.51 113.78 1tnn n ALA 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1tnn n ALA 44 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 -1.66 1.07 -1.02 0.00 1.74 -1.26 -5.08 116.66 110.45 1tnn n ARG 45 Ca 0.00 -0.17 -0.19 0.00 -0.77 0.00 0.00 57.85 56.72 1tnn n ARG 45 Cb 0.11 -0.59 0.14 0.00 -1.02 0.00 0.00 32.46 31.09 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 -0.20 -3.86 -2.82 -1.55 8.25 -1.26 -3.50 115.22 110.28 1tnn n HIS 46 Ca 0.00 -0.70 -0.11 0.00 -0.26 0.00 0.00 57.72 56.65 1tnn n HIS 46 Cb 0.07 -0.67 0.05 0.00 1.12 0.00 0.00 29.99 30.55 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 -3.06 1.09 -0.47 -0.41 7.27 0.12 -4.68 117.38 117.25 1tnn n GLN 47 Ca 0.10 -2.70 -0.28 0.00 0.07 0.00 0.00 57.00 54.19 1tnn n GLN 47 Cb 0.37 -1.04 0.27 0.00 2.41 0.00 0.00 30.24 32.24 1tnn n GLN 47 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1tnn s VAL 48 N -1.54 2.00 0.00 1.69 1.01 -1.26 -2.67 120.40 119.63 1tnn s VAL 48 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1tnn s VAL 48 Cb 0.39 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.76 1tnn s VAL 48 CO -0.04 -0.00 0.00 1.07 0.00 0.00 0.00 175.10 176.13 1tnn n THR 49 N -5.05 0.00 0.00 3.92 5.66 0.21 -4.75 114.28 114.26 1tnn n THR 49 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 1tnn n THR 49 Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 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 0.00 0.00 -3.85 1.09 -2.24 -1.26 -1.58 114.28 106.43 1tnn n THR 50 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1tnn n THR 50 Cb 0.00 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 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 -0.75 0.00 0.07 4.28 2.01 0.41 -4.47 115.64 117.18 1tnn s THR 51 Ca 0.00 -1.11 -0.17 0.00 0.31 0.00 0.00 61.69 60.73 1tnn s THR 51 Cb 0.00 -2.91 -0.05 0.00 0.01 0.00 0.00 72.50 69.54 1tnn s THR 51 CO 0.00 0.00 1.27 0.50 -0.69 0.00 0.00 174.62 175.70 1tnn h LYS 52 N 2.01 -0.18 -0.07 4.92 3.64 -2.01 -3.24 116.57 121.65 1tnn h LYS 52 Ca -0.32 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 58.96 1tnn h LYS 52 Cb 1.25 0.04 -0.18 0.00 -0.41 0.00 0.00 32.23 32.93 1tnn h LYS 52 CO 0.42 -0.12 -0.74 0.66 -2.27 0.00 0.00 179.45 177.40 1tnn n TYR 53 N -4.05 0.25 -3.96 1.91 4.01 -1.26 -4.94 117.16 109.11 1tnn n TYR 53 Ca -0.02 -1.23 -0.09 0.00 -0.16 0.00 0.00 57.90 56.40 1tnn n TYR 53 Cb 0.17 -0.22 -0.05 0.00 -0.31 0.00 0.00 39.34 38.93 1tnn n TYR 53 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1tnn s LYS 54 N -2.17 1.52 -0.03 -0.72 1.02 -1.22 -2.30 119.74 115.85 1tnn s LYS 54 Ca 0.37 -1.19 0.03 0.00 0.02 0.00 0.00 55.97 55.20 1tnn s LYS 54 Cb 0.38 0.48 0.00 0.00 -0.52 0.00 0.00 37.83 38.17 1tnn s LYS 54 CO -0.10 -0.63 -0.10 0.45 -0.92 0.00 0.00 175.35 174.05 1tnn s SER 55 N -2.99 1.33 -0.09 2.83 0.15 -1.10 0.16 113.70 113.98 1tnn s SER 55 Ca 0.20 -0.21 0.02 0.00 0.70 0.00 0.00 55.95 56.66 1tnn s SER 55 Cb -0.01 -0.35 0.02 0.00 -1.71 0.00 0.00 66.02 63.97 1tnn s SER 55 CO 0.07 0.08 -0.13 -0.89 1.20 0.00 0.00 173.24 173.56 1tnn s THR 56 N 0.16 1.32 -0.30 6.45 2.01 -0.62 -1.25 115.64 123.42 1tnn s THR 56 Ca -0.03 -0.55 -0.07 0.00 0.31 0.00 0.00 61.69 61.35 1tnn s THR 56 Cb -0.09 -1.22 0.01 0.00 0.01 0.00 0.00 72.50 71.21 1tnn s THR 56 CO 0.01 0.40 0.10 0.12 -0.69 0.00 0.00 174.62 174.56 1tnn s PHE 57 N 0.95 3.16 -0.30 4.92 5.36 -0.83 0.63 117.98 131.88 1tnn s PHE 57 Ca -0.08 -0.93 -0.07 0.00 -0.96 0.00 0.00 56.93 54.89 1tnn s PHE 57 Cb -0.15 -2.28 0.01 0.00 -0.34 0.00 0.00 43.02 40.26 1tnn s PHE 57 CO -0.00 -0.56 0.08 -2.00 -1.46 0.00 0.00 175.22 171.28 1tnn s GLU 58 N 1.52 3.10 -0.18 10.12 -6.30 -1.09 -1.67 118.70 124.19 1tnn s GLU 58 Ca 0.03 -0.85 -0.26 0.00 -2.50 0.00 0.00 54.97 51.38 1tnn s GLU 58 Cb -0.17 -3.38 -0.01 0.00 0.00 0.00 0.00 34.13 30.57 1tnn s GLU 58 CO 0.03 -0.44 0.89 0.42 0.02 0.00 0.00 175.26 176.18 1tnn s ILE 59 N 1.50 4.82 0.10 -3.70 1.09 -1.11 0.13 121.20 124.04 1tnn s ILE 59 Ca 0.03 1.75 0.04 0.00 -1.10 0.00 0.00 60.65 61.36 1tnn s ILE 59 Cb -0.17 -4.19 -0.04 0.00 -1.06 0.00 0.00 42.46 37.01 1tnn s ILE 59 CO 0.03 -0.03 -0.11 -0.94 -0.10 0.00 0.00 174.94 173.79 1tnn s SER 60 N 1.19 1.52 -0.74 3.58 1.04 -1.23 -4.55 113.70 114.51 1tnn s SER 60 Ca 0.40 -0.80 -0.04 0.00 0.48 0.00 0.00 55.95 55.99 1tnn s SER 60 Cb -0.16 -0.00 0.04 0.00 0.10 0.00 0.00 66.02 65.99 1tnn s SER 60 CO 0.11 -0.24 0.16 -1.54 0.98 0.00 0.00 173.24 172.71 1tnn n SER 61 N 0.61 -2.48 -4.79 7.02 3.41 -1.26 -4.33 113.62 111.81 1tnn n SER 61 Ca -0.16 0.07 -0.33 0.00 -0.26 0.00 0.00 58.87 58.18 1tnn n SER 61 Cb 0.57 -2.15 0.00 0.00 -0.26 0.00 0.00 64.21 62.37 1tnn n SER 61 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1tnn s VAL 62 N -2.48 3.61 0.00 -3.33 0.11 -1.26 -4.89 120.40 112.16 1tnn s VAL 62 Ca 0.16 0.86 0.00 0.00 -2.93 0.00 0.00 61.98 60.07 1tnn s VAL 62 Cb -0.09 -3.34 0.00 0.00 -1.53 0.00 0.00 36.38 31.42 1tnn s VAL 62 CO 0.20 -0.36 0.00 0.00 -3.33 0.00 0.00 175.10 171.61 1tnn n GLN 63 N -1.69 2.18 -1.08 1.54 1.13 -1.26 -4.51 117.38 113.69 1tnn n GLN 63 Ca 0.10 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.98 1tnn n GLN 63 Cb 0.52 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.84 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 5.68 -2.62 -1.58 0.00 -1.26 -4.02 120.51 113.71 1tnn n ALA 64 Ca 0.00 -1.99 0.01 0.00 0.00 0.00 0.00 53.44 51.46 1tnn n ALA 64 Cb 0.00 -1.77 0.04 0.00 0.00 0.00 0.00 19.45 17.72 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 1.04 0.79 0.00 0.00 3.41 -1.26 -4.86 113.62 112.75 1tnn n SER 65 Ca 0.35 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.93 1tnn n SER 65 Cb 0.62 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 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 -0.24 0.00 -0.34 4.04 8.00 -1.26 -5.12 116.55 121.63 1tnn n ASP 66 Ca 0.01 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.52 1tnn n ASP 66 Cb 0.93 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 42.03 1tnn n ASP 66 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1tnn n GLU 67 N -0.48 -0.21 0.00 -1.24 0.28 -1.26 -4.86 120.64 112.88 1tnn n GLU 67 Ca 0.00 0.14 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 1tnn n GLU 67 Cb 0.00 -0.25 0.00 0.00 1.43 0.00 0.00 31.44 32.62 1tnn n GLU 67 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1tnn n GLY 68 N -0.38 -0.14 0.00 -1.84 0.00 -0.79 -4.38 105.19 97.66 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 -0.84 0.00 -1.82 1.61 4.13 -1.25 -3.20 115.26 113.88 1tnn n ASN 69 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1tnn n ASN 69 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1tnn n ASN 69 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1tnn n TYR 70 N 0.00 -1.31 -3.64 3.10 4.01 0.47 -4.48 117.16 115.30 1tnn n TYR 70 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 1tnn n TYR 70 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 38.96 1tnn n TYR 70 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1tnn s SER 71 N -0.91 -0.32 -0.40 7.72 0.01 -0.12 -1.62 113.70 118.06 1tnn s SER 71 Ca 0.00 0.62 -0.14 0.00 1.31 0.00 0.00 55.95 57.74 1tnn s SER 71 Cb 0.00 0.65 0.02 0.00 0.21 0.00 0.00 66.02 66.90 1tnn s SER 71 CO 0.00 -0.11 0.28 0.54 0.41 0.00 0.00 173.24 174.36 1tnn s VAL 72 N 0.21 5.12 -0.38 3.43 0.11 0.46 -0.46 120.40 128.89 1tnn s VAL 72 Ca 0.04 -0.70 -0.20 0.00 -2.93 0.00 0.00 61.98 58.19 1tnn s VAL 72 Cb -0.05 -3.85 0.01 0.00 -1.53 0.00 0.00 36.38 30.96 1tnn s VAL 72 CO -0.10 -0.29 0.63 -0.69 -3.33 0.00 0.00 175.10 171.33 1tnn s VAL 73 N 1.65 4.87 -0.07 2.04 1.01 -0.85 -0.55 120.40 128.50 1tnn s VAL 73 Ca 0.04 0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.47 1tnn s VAL 73 Cb -0.19 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 1tnn s VAL 73 CO 0.09 -0.40 -0.09 -0.69 0.00 0.00 0.00 175.10 174.02 1tnn s VAL 74 N 2.74 3.51 0.05 2.92 1.01 -0.44 0.92 120.40 131.10 1tnn s VAL 74 Ca 0.24 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1tnn s VAL 74 Cb -0.14 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1tnn s VAL 74 CO 0.16 0.59 -0.13 -1.83 0.00 0.00 0.00 175.10 173.89 1tnn s GLU 75 N -0.64 0.80 0.40 2.72 4.04 -1.07 -1.35 118.70 123.60 1tnn s GLU 75 Ca 0.10 -0.80 0.07 0.00 0.04 0.00 0.00 54.97 54.38 1tnn s GLU 75 Cb -0.11 -0.77 -0.08 0.00 0.02 0.00 0.00 34.13 33.18 1tnn s GLU 75 CO 0.02 0.18 0.00 1.21 -1.84 0.00 0.00 175.26 174.83 1tnn s ASN 76 N -1.37 3.78 0.34 0.83 2.47 -0.83 -1.96 114.94 118.20 1tnn s ASN 76 Ca -0.01 -1.35 0.20 0.00 0.42 0.00 0.00 52.86 52.11 1tnn s ASN 76 Cb -0.09 -0.38 1.07 0.00 -1.45 0.00 0.00 41.25 40.41 1tnn s ASN 76 CO 0.01 -0.43 1.57 0.77 -3.72 0.00 0.00 177.10 175.30 1tnn h SER 77 N 1.81 0.00 -0.18 -4.21 4.64 -1.91 -2.97 113.55 110.74 1tnn h SER 77 Ca -0.44 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.68 1tnn h SER 77 Cb 1.24 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.08 1tnn h SER 77 CO 0.79 0.00 -0.62 -1.84 -0.87 0.00 0.00 176.83 174.30 1tnn n GLU 78 N -2.22 1.51 -3.88 4.77 0.00 -1.26 -5.13 120.64 114.43 1tnn n GLU 78 Ca -0.01 -2.15 -0.01 0.00 0.00 0.00 0.00 57.16 54.99 1tnn n GLU 78 Cb 0.13 -0.40 0.02 0.00 0.00 0.00 0.00 31.44 31.18 1tnn n GLU 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1tnn n GLY 79 N -1.15 0.46 3.64 -1.84 0.00 -1.12 -5.15 105.19 100.04 1tnn n GLY 79 Ca -0.08 -1.11 -0.04 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.04 0.34 0.00 1.61 -2.85 -1.26 -1.97 119.74 113.57 1tnn s LYS 80 Ca 0.25 0.50 0.00 0.00 -1.00 0.00 0.00 55.97 55.72 1tnn s LYS 80 Cb -0.02 0.12 0.00 0.00 -2.06 0.00 0.00 37.83 35.87 1tnn s LYS 80 CO 0.03 -0.06 0.00 1.04 0.10 0.00 0.00 175.35 176.47 1tnn n GLN 81 N 2.87 0.00 -3.90 1.78 1.13 -0.46 -4.94 117.38 113.87 1tnn n GLN 81 Ca -0.15 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 54.89 1tnn n GLN 81 Cb 0.57 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.93 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 -1.93 1.07 0.17 -1.09 -1.05 -1.26 -1.33 118.70 113.27 1tnn s GLU 82 Ca 0.00 -0.68 -0.11 0.00 -0.15 0.00 0.00 54.97 54.03 1tnn s GLU 82 Cb 0.00 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 1tnn s GLU 82 CO 0.00 -0.50 0.33 0.00 0.95 0.00 0.00 175.26 176.04 1tnn s ALA 83 N -2.17 -0.22 0.02 -0.84 0.00 0.29 -4.92 121.76 113.92 1tnn s ALA 83 Ca 0.23 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 1tnn s ALA 83 Cb -0.02 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 23.93 1tnn s ALA 83 CO 0.04 -0.68 -0.01 -1.21 0.00 0.00 0.00 175.76 173.90 1tnn s GLU 84 N -3.94 0.35 0.00 0.00 0.41 -1.26 -0.41 118.70 113.85 1tnn s GLU 84 Ca 0.15 -0.60 0.00 0.00 -0.41 0.00 0.00 54.97 54.11 1tnn s GLU 84 Cb 0.02 0.13 0.00 0.00 -1.78 0.00 0.00 34.13 32.50 1tnn s GLU 84 CO -0.01 -0.06 0.00 1.97 -0.49 0.00 0.00 175.26 176.67 1tnn n PHE 85 N 1.53 -0.75 -3.61 1.61 -1.74 -0.64 -4.95 117.46 108.90 1tnn n PHE 85 Ca -0.23 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.56 1tnn n PHE 85 Cb 0.55 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.45 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 -2.79 -0.61 -0.60 1.97 -4.23 -1.26 -0.40 115.64 107.72 1tnn s THR 86 Ca 0.00 0.15 0.02 0.00 -1.18 0.00 0.00 61.69 60.68 1tnn s THR 86 Cb 0.00 -0.66 0.15 0.00 1.34 0.00 0.00 72.50 73.33 1tnn s THR 86 CO 0.00 0.05 0.38 -0.22 -0.54 0.00 0.00 174.62 174.29 1tnn s LEU 87 N 2.58 4.70 0.00 4.79 2.96 -1.20 -1.82 118.68 130.70 1tnn s LEU 87 Ca 0.01 -3.19 -0.10 0.00 -0.22 0.00 0.00 54.13 50.63 1tnn s LEU 87 Cb -0.12 -1.71 0.14 0.00 0.50 0.00 0.00 46.19 45.00 1tnn s LEU 87 CO -0.13 -0.23 0.73 0.41 -1.32 0.00 0.00 176.35 175.82 1tnn n THR 88 N 2.92 0.00 -4.23 3.68 -1.04 -1.06 -1.88 114.28 112.67 1tnn n THR 88 Ca 0.10 -0.49 -0.13 0.00 -2.04 0.00 0.00 64.05 61.48 1tnn n THR 88 Cb 0.34 -1.58 -0.10 0.00 -1.82 0.00 0.00 70.33 67.17 1tnn n THR 88 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1tnn s ILE 89 N -2.55 0.14 -0.43 12.58 1.09 -1.22 -1.54 121.20 129.27 1tnn s ILE 89 Ca 0.43 -2.00 0.05 0.00 -1.10 0.00 0.00 60.65 58.03 1tnn s ILE 89 Cb -0.02 -2.52 0.17 0.00 -1.06 0.00 0.00 42.46 39.03 1tnn s ILE 89 CO 0.31 -0.01 0.43 -1.58 -0.10 0.00 0.00 174.94 173.99 1tnn s GLN 90 N -4.13 0.93 0.00 2.79 -0.44 -0.74 -4.81 119.66 113.26 1tnn s GLN 90 Ca 0.38 -1.79 0.00 0.00 -2.50 0.00 0.00 55.36 51.45 1tnn s GLN 90 Cb 0.07 -1.05 0.00 0.00 -1.64 0.00 0.00 33.01 30.39 1tnn s GLN 90 CO 0.12 -1.36 0.00 1.63 0.50 0.00 0.00 175.29 176.18