#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 -0.77 -0.19 5.15 2.08 -1.26 -4.46 119.36 119.91 1tnn n ILE 2 Ca 0.00 -2.93 -0.05 0.00 0.56 0.00 0.00 62.75 60.33 1tnn n ILE 2 Cb 0.00 -0.94 0.13 0.00 -0.75 0.00 0.00 39.64 38.08 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 4.99 0.92 -6.99 1.39 4.07 -1.19 -3.44 115.31 115.06 1tnn h LEU 3 Ca 0.15 -0.17 0.04 0.00 0.08 0.00 0.00 57.88 57.98 1tnn h LEU 3 Cb 0.95 -0.24 -0.22 0.00 1.08 0.00 0.00 40.66 42.23 1tnn h LEU 3 CO 0.32 0.88 0.05 -0.89 -1.08 0.00 0.00 178.44 177.72 1tnn s THR 4 N -5.29 -0.15 0.30 0.22 2.01 -1.16 -4.94 115.64 106.64 1tnn s THR 4 Ca -0.11 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 61.75 1tnn s THR 4 Cb 0.15 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.58 1tnn s THR 4 CO 0.82 0.00 0.71 -1.59 -0.69 0.00 0.00 174.62 173.87 1tnn s LYS 5 N 1.80 3.99 0.41 4.92 -2.85 -1.26 -2.15 119.74 124.60 1tnn s LYS 5 Ca -0.09 0.63 -0.24 0.00 -1.00 0.00 0.00 55.97 55.27 1tnn s LYS 5 Cb -0.06 -2.48 -0.09 0.00 -2.06 0.00 0.00 37.83 33.14 1tnn s LYS 5 CO -0.19 0.19 1.08 -1.25 0.10 0.00 0.00 175.35 175.28 1tnn s PRO 6 N -2.90 4.10 0.00 1.78 0.04 -1.26 -4.97 135.00 131.79 1tnn s PRO 6 Ca 0.53 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1tnn s PRO 6 Cb -0.11 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.89 1tnn s PRO 6 CO 0.18 -0.21 0.00 -2.13 0.04 0.00 0.00 177.00 174.88 1tnn n ARG 7 N -0.10 2.06 -3.56 4.56 0.00 -1.26 -4.66 116.66 113.70 1tnn n ARG 7 Ca 0.05 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.74 1tnn n ARG 7 Cb 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.90 1tnn n ARG 7 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1tnn n SER 8 N 0.00 0.89 0.00 6.15 7.64 -1.26 -4.40 113.62 122.63 1tnn n SER 8 Ca 0.00 -2.43 0.00 0.00 1.01 0.00 0.00 58.87 57.45 1tnn n SER 8 Cb 0.00 0.74 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 1tnn n SER 8 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 1tnn n MET 9 N -0.58 -0.65 -3.28 1.43 0.00 -0.71 -4.94 117.12 108.39 1tnn n MET 9 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 57.70 57.63 1tnn n MET 9 Cb 0.40 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.57 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 -0.73 -0.36 3.17 2.01 -1.26 -2.58 115.64 112.88 1tnn s THR 10 Ca 0.00 -0.10 -0.10 0.00 0.31 0.00 0.00 61.69 61.81 1tnn s THR 10 Cb 0.00 -0.91 0.03 0.00 0.01 0.00 0.00 72.50 71.63 1tnn s THR 10 CO 0.00 -0.12 0.18 0.68 -0.69 0.00 0.00 174.62 174.67 1tnn s VAL 11 N 2.64 4.41 0.08 3.82 -7.23 -0.24 -4.87 120.40 119.01 1tnn s VAL 11 Ca 0.14 -0.88 -0.15 0.00 -1.81 0.00 0.00 61.98 59.28 1tnn s VAL 11 Cb -0.14 -3.45 -0.03 0.00 0.56 0.00 0.00 36.38 33.31 1tnn s VAL 11 CO -0.21 -0.20 0.86 -1.22 -0.31 0.00 0.00 175.10 174.02 1tnn n TYR 12 N 4.96 -0.21 -3.55 2.82 4.02 -1.26 -3.94 117.16 120.00 1tnn n TYR 12 Ca -0.12 0.59 0.02 0.00 -0.01 0.00 0.00 57.90 58.38 1tnn n TYR 12 Cb 0.46 -0.50 -0.06 0.00 -0.02 0.00 0.00 39.34 39.23 1tnn n TYR 12 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1tnn s GLU 13 N -4.82 0.11 -1.55 -0.72 2.56 -1.26 -3.95 118.70 109.08 1tnn s GLU 13 Ca -0.06 0.20 0.00 0.00 0.00 0.00 0.00 54.97 55.12 1tnn s GLU 13 Cb 0.05 0.05 0.00 0.00 2.00 0.00 0.00 34.13 36.23 1tnn s GLU 13 CO 0.29 -0.03 0.00 0.41 -0.56 0.00 0.00 175.26 175.38 1tnn n GLY 14 N 3.56 1.08 0.00 -1.50 0.00 -1.26 -4.85 105.19 102.22 1tnn n GLY 14 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1tnn n GLY 14 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1tnn n GLU 15 N -2.16 0.00 0.00 1.61 -0.58 -1.26 -4.64 120.64 113.61 1tnn n GLU 15 Ca -0.16 0.30 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 1tnn n GLU 15 Cb 0.52 -0.99 0.00 0.00 -0.57 0.00 0.00 31.44 30.40 1tnn n GLU 15 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1tnn n SER 16 N -1.39 0.00 -1.79 1.62 2.88 -1.26 -5.00 113.62 108.68 1tnn n SER 16 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 1tnn n SER 16 Cb 0.00 0.18 -0.04 0.00 -0.75 0.00 0.00 64.21 63.60 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 -1.52 -0.41 -1.58 -1.46 0.00 -1.26 -3.12 120.51 111.16 1tnn n ALA 17 Ca 0.00 0.19 -0.46 0.00 0.00 0.00 0.00 53.44 53.17 1tnn n ALA 17 Cb 0.00 -1.56 -0.04 0.00 0.00 0.00 0.00 19.45 17.85 1tnn n ALA 17 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1tnn n ARG 18 N -2.29 1.87 -4.09 0.00 0.63 -1.26 -4.37 116.66 107.14 1tnn n ARG 18 Ca -0.15 0.57 -0.26 0.00 -0.92 0.00 0.00 57.85 57.09 1tnn n ARG 18 Cb 0.53 -2.92 -0.06 0.00 0.45 0.00 0.00 32.46 30.46 1tnn n ARG 18 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1tnn s PHE 19 N 6.96 3.12 -0.30 -0.14 0.08 -0.35 -4.97 117.98 122.40 1tnn s PHE 19 Ca 1.00 -0.03 -0.12 0.00 0.12 0.00 0.00 56.93 57.91 1tnn s PHE 19 Cb -0.54 -1.49 0.12 0.00 -0.57 0.00 0.00 43.02 40.54 1tnn s PHE 19 CO 0.42 0.52 0.68 0.45 -0.10 0.00 0.00 175.22 177.19 1tnn s SER 20 N -3.14 -1.07 0.38 1.36 0.15 -1.26 -0.82 113.70 109.30 1tnn s SER 20 Ca 0.31 1.52 0.02 0.00 0.70 0.00 0.00 55.95 58.49 1tnn s SER 20 Cb -0.10 2.07 0.02 0.00 -1.71 0.00 0.00 66.02 66.30 1tnn s SER 20 CO 0.23 -0.22 0.17 0.00 1.20 0.00 0.00 173.24 174.62 1tnn s ASP 22 N -3.17 1.74 -0.24 0.00 -1.08 -0.91 -1.21 116.67 111.79 1tnn s ASP 22 Ca 0.13 -0.51 -0.19 0.00 -0.52 0.00 0.00 52.55 51.46 1tnn s ASP 22 Cb -0.01 -0.10 0.07 0.00 -1.46 0.00 0.00 42.92 41.42 1tnn s ASP 22 CO 0.08 0.02 0.63 0.42 0.52 0.00 0.00 175.17 176.83 1tnn s THR 23 N -0.96 -0.00 0.46 1.71 -4.23 -0.97 -0.61 115.64 111.05 1tnn s THR 23 Ca 0.01 0.01 0.02 0.00 -1.18 0.00 0.00 61.69 60.55 1tnn s THR 23 Cb -0.08 -0.88 0.00 0.00 1.34 0.00 0.00 72.50 72.88 1tnn s THR 23 CO 0.02 0.00 0.67 -0.62 -0.54 0.00 0.00 174.62 174.15 1tnn s ASP 24 N 0.74 5.72 0.00 3.99 2.15 -1.26 -4.59 116.67 123.42 1tnn s ASP 24 Ca -0.03 0.14 0.00 0.00 0.43 0.00 0.00 52.55 53.08 1tnn s ASP 24 Cb -0.05 -1.32 0.00 0.00 -0.30 0.00 0.00 42.92 41.25 1tnn s ASP 24 CO -0.05 -0.77 0.00 0.61 -0.17 0.00 0.00 175.17 174.79 1tnn n GLY 25 N -2.08 -0.97 2.93 2.66 0.00 -1.26 0.06 105.19 106.54 1tnn n GLY 25 Ca 0.03 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.95 1tnn n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tnn s GLU 26 N -2.00 0.42 -0.25 1.61 8.01 -1.26 -3.37 118.70 121.85 1tnn s GLU 26 Ca 0.00 0.24 -0.15 0.00 0.01 0.00 0.00 54.97 55.07 1tnn s GLU 26 Cb 0.00 -0.27 -0.04 0.00 -4.31 0.00 0.00 34.13 29.52 1tnn s GLU 26 CO 0.00 -0.97 0.37 -1.25 0.01 0.00 0.00 175.26 173.42 1tnn s PRO 27 N 2.57 4.06 0.16 0.39 0.04 -1.26 -4.59 135.00 136.38 1tnn s PRO 27 Ca 0.10 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.22 1tnn s PRO 27 Cb -0.13 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 30.79 1tnn s PRO 27 CO -0.28 -0.20 0.00 0.28 0.04 0.00 0.00 177.00 176.84 1tnn n VAL 28 N 4.88-11.46 -0.36 -0.36 0.31 -1.22 -4.93 118.33 105.19 1tnn n VAL 28 Ca -0.09 2.90 0.00 0.00 -0.01 0.00 0.00 64.34 67.14 1tnn n VAL 28 Cb 0.51 -4.79 0.00 0.00 -0.91 0.00 0.00 33.84 28.65 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 1.90 0.20 -4.54 5.55 -0.04 -1.26 -4.71 135.00 132.10 1tnn n PRO 29 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 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 -0.08 -0.04 0.00 0.00 175.50 175.38 1tnn s THR 30 N -0.51 0.74 0.04 0.52 -1.32 -0.88 -4.93 115.64 109.29 1tnn s THR 30 Ca 0.00 -2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 58.47 1tnn s THR 30 Cb 0.00 -2.37 -0.03 0.00 -1.51 0.00 0.00 72.50 68.60 1tnn s THR 30 CO 0.00 0.00 -0.01 0.54 -2.21 0.00 0.00 174.62 172.94 1tnn s VAL 31 N -3.17 0.16 -0.40 5.08 0.11 -1.26 -2.42 120.40 118.50 1tnn s VAL 31 Ca 0.23 -1.32 0.08 0.00 -2.93 0.00 0.00 61.98 58.04 1tnn s VAL 31 Cb 0.03 -0.91 0.26 0.00 -1.53 0.00 0.00 36.38 34.24 1tnn s VAL 31 CO 0.13 -0.73 0.60 0.41 -3.33 0.00 0.00 175.10 172.18 1tnn n THR 32 N 0.82 -0.54 -1.68 5.04 -1.04 0.22 -4.92 114.28 112.18 1tnn n THR 32 Ca -0.19 -3.76 -0.44 0.00 -2.04 0.00 0.00 64.05 57.62 1tnn n THR 32 Cb 0.58 -1.30 -0.02 0.00 -1.82 0.00 0.00 70.33 67.77 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 1.27 2.19 -3.64 -1.42 7.02 -1.26 -2.50 117.44 119.10 1tnn n TRP 33 Ca 0.20 0.45 -0.02 0.00 -1.02 0.00 0.00 57.50 57.10 1tnn n TRP 33 Cb 0.56 -2.46 -0.03 0.00 -2.42 0.00 0.00 31.31 26.97 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 -0.07 -0.02 0.00 -0.99 2.34 -0.69 -1.43 118.68 117.82 1tnn s LEU 34 Ca 0.66 0.01 0.00 0.00 0.06 0.00 0.00 54.13 54.86 1tnn s LEU 34 Cb -0.63 1.05 0.00 0.00 -0.56 0.00 0.00 46.19 46.05 1tnn s LEU 34 CO 0.51 -0.03 0.00 0.54 -1.06 0.00 0.00 176.35 176.31 1tnn n ARG 35 N 0.13 0.00 -1.72 1.48 5.12 -1.26 -1.93 116.66 118.49 1tnn n ARG 35 Ca 0.04 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.78 1tnn n ARG 35 Cb 0.57 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.81 1tnn n ARG 35 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1tnn n LYS 36 N 0.00 -1.50 -0.62 5.56 4.81 -1.26 -4.75 118.16 120.41 1tnn n LYS 36 Ca 0.00 1.04 0.03 0.00 -0.87 0.00 0.00 58.31 58.51 1tnn n LYS 36 Cb 0.00 -5.45 0.04 0.00 0.02 0.00 0.00 35.03 29.65 1tnn n LYS 36 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1tnn n GLY 37 N -0.47 1.71 5.48 3.14 0.00 -1.26 -5.05 105.19 108.74 1tnn n GLY 37 Ca -0.19 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.24 0.00 -3.65 1.61 7.27 -1.26 -4.38 117.38 116.72 1tnn n GLN 38 Ca 0.05 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.07 1tnn n GLN 38 Cb 0.77 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 33.36 1tnn n GLN 38 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1tnn s VAL 39 N 0.00 -0.79 0.64 1.69 -7.23 -1.26 -4.57 120.40 108.89 1tnn s VAL 39 Ca 0.00 0.08 0.37 0.00 -1.81 0.00 0.00 61.98 60.62 1tnn s VAL 39 Cb 0.00 -0.84 0.39 0.00 0.56 0.00 0.00 36.38 36.50 1tnn s VAL 39 CO 0.00 0.03 2.23 -0.07 -0.31 0.00 0.00 175.10 176.98 1tnn h LEU 40 N 8.03 0.00 -8.33 1.32 4.07 -1.44 -2.97 115.31 115.99 1tnn h LEU 40 Ca -0.18 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.77 1tnn h LEU 40 Cb 1.11 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.84 1tnn h LEU 40 CO 0.12 0.00 0.09 -1.54 -1.08 0.00 0.00 178.44 176.02 1tnn n SER 41 N -3.33 1.69 -4.03 -0.43 3.41 -1.26 -3.26 113.62 106.41 1tnn n SER 41 Ca -0.02 -1.46 -0.27 0.00 -0.26 0.00 0.00 58.87 56.86 1tnn n SER 41 Cb 0.17 -1.62 -0.03 0.00 -0.26 0.00 0.00 64.21 62.46 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 8.68 -2.59 0.28 6.66 -2.24 -1.22 -4.80 114.28 119.05 1tnn n THR 42 Ca 0.48 -0.45 0.15 0.00 -2.27 0.00 0.00 64.05 61.95 1tnn n THR 42 Cb 0.42 -2.33 0.78 0.00 -2.10 0.00 0.00 70.33 67.10 1tnn n THR 42 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1tnn h SER 43 N -1.80 0.00 0.00 3.42 0.87 -1.50 -3.44 113.55 111.10 1tnn h SER 43 Ca -0.63 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 59.93 1tnn h SER 43 Cb 1.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 1tnn h SER 43 CO 0.65 0.09 0.00 0.00 -0.53 0.00 0.00 176.83 177.04 1tnn n ALA 44 N -2.22 0.00 -0.69 6.23 0.00 -1.26 -4.96 120.51 117.61 1tnn n ALA 44 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1tnn n ALA 44 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.73 -0.09 -3.03 0.00 1.74 -1.26 -4.96 116.66 107.33 1tnn n ARG 45 Ca 0.00 -0.27 -0.33 0.00 -0.77 0.00 0.00 57.85 56.49 1tnn n ARG 45 Cb 0.00 -0.65 -0.06 0.00 -1.02 0.00 0.00 32.46 30.72 1tnn n ARG 45 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1tnn s HIS 46 N -0.05 3.36 -0.62 -1.55 3.76 -1.26 -4.01 115.29 114.92 1tnn s HIS 46 Ca 0.00 1.33 0.06 0.00 -0.15 0.00 0.00 55.06 56.29 1tnn s HIS 46 Cb 0.00 -2.63 0.29 0.00 1.11 0.00 0.00 32.58 31.35 1tnn s HIS 46 CO 0.00 0.02 0.83 0.00 -0.85 0.00 0.00 174.74 174.74 1tnn n GLN 47 N -0.49 2.83 -0.64 1.40 10.64 -0.58 -3.44 117.38 127.09 1tnn n GLN 47 Ca 0.05 -4.75 -0.29 0.00 -1.83 0.00 0.00 57.00 50.17 1tnn n GLN 47 Cb 0.53 -2.25 0.16 0.00 -0.86 0.00 0.00 30.24 27.82 1tnn n GLN 47 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.06 176.78 1tnn n VAL 48 N 0.42 0.00 -2.97 -0.39 3.14 -1.26 -2.89 118.33 114.38 1tnn n VAL 48 Ca 0.30 -0.20 0.05 0.00 -2.96 0.00 0.00 64.34 61.52 1tnn n VAL 48 Cb 0.40 -0.54 0.00 0.00 -1.06 0.00 0.00 33.84 32.64 1tnn n VAL 48 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1tnn s THR 49 N -2.17 -0.01 0.88 1.55 -1.32 0.44 -4.69 115.64 110.33 1tnn s THR 49 Ca 0.50 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.85 1tnn s THR 49 Cb -0.08 -0.00 0.12 0.00 -1.51 0.00 0.00 72.50 71.02 1tnn s THR 49 CO 0.57 0.00 1.15 -0.89 -2.21 0.00 0.00 174.62 173.25 1tnn s THR 50 N 2.63 2.00 0.27 5.08 2.01 -1.24 -1.41 115.64 124.97 1tnn s THR 50 Ca 0.26 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.30 1tnn s THR 50 Cb 0.02 -2.83 -0.01 0.00 0.01 0.00 0.00 72.50 69.69 1tnn s THR 50 CO -0.20 0.00 0.14 0.41 -0.69 0.00 0.00 174.62 174.28 1tnn n THR 51 N -3.64 0.00 0.00 -0.82 -1.04 0.11 -4.72 114.28 104.17 1tnn n THR 51 Ca 0.07 -1.70 0.00 0.00 -2.04 0.00 0.00 64.05 60.38 1tnn n THR 51 Cb 0.60 0.71 0.00 0.00 -1.82 0.00 0.00 70.33 69.81 1tnn n THR 51 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1tnn n LYS 52 N -0.57 0.00 -0.10 -2.82 4.81 -1.26 -3.55 118.16 114.67 1tnn n LYS 52 Ca -0.00 0.83 0.07 0.00 -0.87 0.00 0.00 58.31 58.34 1tnn n LYS 52 Cb 0.43 -1.41 0.11 0.00 0.02 0.00 0.00 35.03 34.19 1tnn n LYS 52 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1tnn n TYR 53 N -2.49 0.13 -3.70 5.64 9.36 -1.26 -4.88 117.16 119.96 1tnn n TYR 53 Ca 0.00 -0.81 -0.13 0.00 3.32 0.00 0.00 57.90 60.28 1tnn n TYR 53 Cb 0.00 -0.13 -0.13 0.00 -0.63 0.00 0.00 39.34 38.45 1tnn n TYR 53 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1tnn s LYS 54 N -2.22 0.17 0.57 2.98 1.02 -1.23 -2.28 119.74 118.75 1tnn s LYS 54 Ca 0.23 0.62 -0.03 0.00 0.02 0.00 0.00 55.97 56.81 1tnn s LYS 54 Cb 0.20 -0.10 0.02 0.00 -0.52 0.00 0.00 37.83 37.43 1tnn s LYS 54 CO 0.03 -0.22 0.84 0.45 -0.92 0.00 0.00 175.35 175.54 1tnn s SER 55 N 1.77 5.46 -0.29 2.83 0.15 -0.35 0.08 113.70 123.36 1tnn s SER 55 Ca -0.05 0.44 -0.14 0.00 0.70 0.00 0.00 55.95 56.91 1tnn s SER 55 Cb -0.11 -1.42 0.11 0.00 -1.71 0.00 0.00 66.02 62.89 1tnn s SER 55 CO -0.08 -1.08 0.73 -0.89 1.20 0.00 0.00 173.24 173.12 1tnn s THR 56 N -2.89 -0.42 0.04 6.45 2.01 -0.50 -0.54 115.64 119.79 1tnn s THR 56 Ca 0.54 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.61 1tnn s THR 56 Cb -0.10 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.38 1tnn s THR 56 CO 0.42 0.00 -0.20 0.12 -0.69 0.00 0.00 174.62 174.27 1tnn s PHE 57 N 2.15 1.73 0.19 4.92 5.36 0.00 0.17 117.98 132.50 1tnn s PHE 57 Ca -0.08 -0.37 0.08 0.00 -0.96 0.00 0.00 56.93 55.61 1tnn s PHE 57 Cb -0.08 -1.03 -0.04 0.00 -0.34 0.00 0.00 43.02 41.53 1tnn s PHE 57 CO -0.19 0.08 -0.03 -1.21 -1.46 0.00 0.00 175.22 172.40 1tnn s GLU 58 N -1.12 2.27 -0.71 10.12 0.41 -1.14 -1.21 118.70 127.32 1tnn s GLU 58 Ca 0.07 -1.21 0.03 0.00 -0.41 0.00 0.00 54.97 53.45 1tnn s GLU 58 Cb -0.09 -2.26 0.35 0.00 -1.78 0.00 0.00 34.13 30.35 1tnn s GLU 58 CO 0.02 0.43 1.33 -0.89 -0.49 0.00 0.00 175.26 175.66 1tnn n ILE 59 N -0.17 3.88 -2.30 -1.63 5.41 -1.18 -1.52 119.36 121.84 1tnn n ILE 59 Ca -0.10 -5.47 -0.38 0.00 1.00 0.00 0.00 62.75 57.80 1tnn n ILE 59 Cb 0.56 -1.41 -0.02 0.00 -0.71 0.00 0.00 39.64 38.06 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 -2.65 6.48 -1.51 4.38 1.04 -1.26 -3.00 113.70 117.17 1tnn s SER 60 Ca 0.46 2.32 -0.17 0.00 0.48 0.00 0.00 55.95 59.04 1tnn s SER 60 Cb 0.29 -2.61 0.16 0.00 0.10 0.00 0.00 66.02 63.96 1tnn s SER 60 CO -0.17 -0.71 0.57 -1.54 0.98 0.00 0.00 173.24 172.37 1tnn n SER 61 N -0.03 -2.52 -3.38 7.02 3.41 -1.26 -4.10 113.62 112.75 1tnn n SER 61 Ca 0.05 -0.83 -0.32 0.00 -0.26 0.00 0.00 58.87 57.51 1tnn n SER 61 Cb 0.47 -2.13 -0.11 0.00 -0.26 0.00 0.00 64.21 62.18 1tnn n SER 61 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1tnn n VAL 62 N -3.96 0.00 -1.58 -3.33 3.14 -1.16 -4.69 118.33 106.75 1tnn n VAL 62 Ca 0.07 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 61.06 1tnn n VAL 62 Cb 0.48 -0.38 0.03 0.00 -1.06 0.00 0.00 33.84 32.92 1tnn n VAL 62 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1tnn n GLN 63 N 6.35 0.99 -2.32 1.45 7.27 -1.26 -1.64 117.38 128.22 1tnn n GLN 63 Ca 0.49 0.37 -0.04 0.00 0.07 0.00 0.00 57.00 57.89 1tnn n GLN 63 Cb 0.02 -2.03 -0.01 0.00 2.41 0.00 0.00 30.24 30.63 1tnn n GLN 63 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1tnn n ALA 64 N -1.26 -0.83 -1.45 1.69 0.00 -1.26 -4.17 120.51 113.23 1tnn n ALA 64 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1tnn n ALA 64 Cb 0.44 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.31 1tnn n ALA 64 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1tnn n SER 65 N -1.29 -7.81 0.00 0.00 7.64 -0.65 -4.89 113.62 106.62 1tnn n SER 65 Ca 0.01 1.65 0.00 0.00 1.01 0.00 0.00 58.87 61.54 1tnn n SER 65 Cb 0.40 -4.56 0.00 0.00 -1.01 0.00 0.00 64.21 59.04 1tnn n SER 65 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1tnn n ASP 66 N -2.31 0.00 0.00 6.43 -0.08 -1.26 -5.03 116.55 114.30 1tnn n ASP 66 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1tnn n ASP 66 Cb 0.39 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.85 1tnn n ASP 66 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1tnn n GLU 67 N 0.00 0.00 0.00 -0.67 0.28 -1.25 -4.98 120.64 114.02 1tnn n GLU 67 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1tnn n GLU 67 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 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 0.00 0.35 0.94 -1.84 0.00 0.42 -4.64 105.19 100.42 1tnn n GLY 68 Ca 0.00 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 1tnn n GLY 68 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1tnn n ASN 69 N 0.00 0.11 -4.18 1.61 6.94 -1.26 -1.00 115.26 117.48 1tnn n ASN 69 Ca 0.00 0.08 -0.29 0.00 -0.02 0.00 0.00 54.58 54.35 1tnn n ASN 69 Cb 0.00 -0.25 -0.17 0.00 -2.36 0.00 0.00 39.78 37.00 1tnn n ASN 69 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1tnn s TYR 70 N 2.28 2.16 0.26 -2.53 1.51 -0.04 -4.69 117.35 116.30 1tnn s TYR 70 Ca 0.36 -0.78 0.01 0.00 -1.01 0.00 0.00 57.07 55.65 1tnn s TYR 70 Cb -0.36 -1.46 -0.00 0.00 -0.11 0.00 0.00 41.96 40.03 1tnn s TYR 70 CO 0.15 -0.30 0.02 0.43 -1.11 0.00 0.00 175.55 174.73 1tnn n SER 71 N 3.39 2.35 -3.49 2.29 7.64 -0.81 -1.11 113.62 123.87 1tnn n SER 71 Ca -0.19 -2.18 -0.20 0.00 1.01 0.00 0.00 58.87 57.30 1tnn n SER 71 Cb 0.53 0.28 -0.13 0.00 -1.01 0.00 0.00 64.21 63.87 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 -2.07 -0.28 -0.44 0.44 0.11 -0.85 -1.71 120.40 115.60 1tnn s VAL 72 Ca 0.03 -0.27 -0.25 0.00 -2.93 0.00 0.00 61.98 58.56 1tnn s VAL 72 Cb 0.00 -0.76 0.02 0.00 -1.53 0.00 0.00 36.38 34.12 1tnn s VAL 72 CO 0.02 -0.32 0.89 -0.69 -3.33 0.00 0.00 175.10 171.66 1tnn s VAL 73 N 2.29 4.54 -0.22 2.04 1.01 -1.04 -1.54 120.40 127.47 1tnn s VAL 73 Ca 0.07 0.76 -0.05 0.00 0.00 0.00 0.00 61.98 62.76 1tnn s VAL 73 Cb -0.15 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 31.82 1tnn s VAL 73 CO -0.18 -0.74 -0.00 -0.69 0.00 0.00 0.00 175.10 173.48 1tnn s VAL 74 N 3.58 3.76 0.00 2.92 1.01 -0.62 0.70 120.40 131.76 1tnn s VAL 74 Ca 0.35 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1tnn s VAL 74 Cb -0.11 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1tnn s VAL 74 CO 0.24 0.40 0.00 -0.62 0.00 0.00 0.00 175.10 175.12 1tnn n GLU 75 N 4.71 3.04 -3.84 2.72 1.02 -1.01 -0.56 120.64 126.72 1tnn n GLU 75 Ca -0.17 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 56.89 1tnn n GLU 75 Cb 0.51 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.93 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 -0.94 -0.17 0.61 1.62 2.47 -0.90 -2.08 114.94 115.55 1tnn s ASN 76 Ca 0.00 -0.76 0.26 0.00 0.42 0.00 0.00 52.86 52.78 1tnn s ASN 76 Cb 0.00 0.75 1.17 0.00 -1.45 0.00 0.00 41.25 41.72 1tnn s ASN 76 CO 0.00 -1.42 1.60 0.77 -3.72 0.00 0.00 177.10 174.33 1tnn h SER 77 N 2.00 0.00 0.00 -4.21 4.64 -1.84 -2.91 113.55 111.23 1tnn h SER 77 Ca -0.23 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.87 1tnn h SER 77 Cb 1.25 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.19 1tnn h SER 77 CO 0.29 0.00 -0.33 -1.84 -0.87 0.00 0.00 176.83 174.07 1tnn n GLU 78 N -3.36 1.21 -3.80 4.77 0.00 -1.26 -5.13 120.64 113.07 1tnn n GLU 78 Ca 0.13 -1.72 -0.10 0.00 0.00 0.00 0.00 57.16 55.47 1tnn n GLU 78 Cb 1.02 0.03 0.02 0.00 0.00 0.00 0.00 31.44 32.51 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 -0.73 1.10 3.62 -1.84 0.00 -1.10 -5.18 105.19 101.06 1tnn n GLY 79 Ca -0.05 -1.30 -0.11 0.00 0.00 0.00 0.00 46.02 44.56 1tnn n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1tnn s LYS 80 N -2.17 0.77 0.18 1.61 2.36 -1.26 -2.13 119.74 119.11 1tnn s LYS 80 Ca 0.17 1.08 -0.01 0.00 -2.55 0.00 0.00 55.97 54.66 1tnn s LYS 80 Cb -0.04 0.29 0.00 0.00 -1.05 0.00 0.00 37.83 37.03 1tnn s LYS 80 CO 0.13 -0.12 0.25 1.04 1.55 0.00 0.00 175.35 178.20 1tnn n GLN 81 N 3.37 0.36 -3.64 4.03 1.13 0.28 -4.95 117.38 117.96 1tnn n GLN 81 Ca -0.17 -1.46 -0.04 0.00 -1.94 0.00 0.00 57.00 53.39 1tnn n GLN 81 Cb 0.57 1.40 -0.07 0.00 0.11 0.00 0.00 30.24 32.25 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 -2.42 0.24 0.53 -1.09 -1.05 -1.26 -1.58 118.70 112.07 1tnn s GLU 82 Ca 0.15 0.31 0.01 0.00 -0.15 0.00 0.00 54.97 55.29 1tnn s GLU 82 Cb -0.00 0.10 0.01 0.00 -0.44 0.00 0.00 34.13 33.80 1tnn s GLU 82 CO 0.11 -0.03 0.08 0.00 0.95 0.00 0.00 175.26 176.36 1tnn s ALA 83 N 0.34 4.32 0.07 -0.84 0.00 -0.59 -4.95 121.76 120.11 1tnn s ALA 83 Ca 0.03 -0.25 -0.25 0.00 0.00 0.00 0.00 51.96 51.49 1tnn s ALA 83 Cb -0.05 -0.13 0.06 0.00 0.00 0.00 0.00 23.12 23.01 1tnn s ALA 83 CO -0.12 -0.09 0.59 -1.83 0.00 0.00 0.00 175.76 174.31 1tnn s GLU 84 N -3.98 1.14 0.00 0.00 4.04 -1.26 -2.00 118.70 116.63 1tnn s GLU 84 Ca 0.06 -0.21 0.00 0.00 0.04 0.00 0.00 54.97 54.87 1tnn s GLU 84 Cb -0.00 0.52 0.00 0.00 0.02 0.00 0.00 34.13 34.67 1tnn s GLU 84 CO 0.04 -0.43 0.00 1.97 -1.84 0.00 0.00 175.26 175.00 1tnn n PHE 85 N 0.22 0.00 -3.25 4.83 -1.74 -0.26 -4.86 117.46 112.40 1tnn n PHE 85 Ca -0.18 0.00 -0.02 0.00 -0.56 0.00 0.00 57.45 56.69 1tnn n PHE 85 Cb 0.61 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.57 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 -2.77 -0.83 -0.24 1.97 -4.23 -1.26 -0.86 115.64 107.42 1tnn s THR 86 Ca 0.00 -0.03 -0.01 0.00 -1.18 0.00 0.00 61.69 60.47 1tnn s THR 86 Cb 0.00 -0.92 0.03 0.00 1.34 0.00 0.00 72.50 72.95 1tnn s THR 86 CO 0.00 -0.05 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.74 1tnn s LEU 87 N 2.73 3.13 0.00 4.79 2.96 -0.17 -1.74 118.68 130.37 1tnn s LEU 87 Ca 0.17 -0.88 0.00 0.00 -0.22 0.00 0.00 54.13 53.19 1tnn s LEU 87 Cb -0.15 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 44.90 1tnn s LEU 87 CO -0.19 -0.12 0.00 0.35 -1.32 0.00 0.00 176.35 175.07 1tnn n THR 88 N 4.65 0.00 -2.86 3.68 -2.24 -1.07 -0.44 114.28 116.00 1tnn n THR 88 Ca -0.17 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.49 1tnn n THR 88 Cb 0.47 -0.76 0.03 0.00 -2.10 0.00 0.00 70.33 67.97 1tnn n THR 88 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1tnn n ILE 89 N -0.58 -0.13 -3.17 2.28 -0.00 -1.25 -1.08 119.36 115.42 1tnn n ILE 89 Ca 0.00 -2.26 -0.13 0.00 -0.00 0.00 0.00 62.75 60.36 1tnn n ILE 89 Cb 0.00 0.76 0.01 0.00 -0.00 0.00 0.00 39.64 40.41 1tnn n ILE 89 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.55 178.22 1tnn n GLN 90 N 1.03 -1.84 0.00 6.28 0.00 -1.25 -4.72 117.38 116.88 1tnn n GLN 90 Ca 0.12 1.60 0.00 0.00 -0.00 0.00 0.00 57.00 58.72 1tnn n GLN 90 Cb 0.64 -4.58 0.00 0.00 0.00 0.00 0.00 30.24 26.30 1tnn n GLN 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69