#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 -8.70 -0.17 0.55 2.08 -1.25 -4.81 119.36 107.07 1tnn n ILE 2 Ca 0.00 -0.44 0.25 0.00 0.56 0.00 0.00 62.75 63.12 1tnn n ILE 2 Cb 0.00 -6.09 0.66 0.00 -0.75 0.00 0.00 39.64 33.46 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 -0.08 0.11 -7.00 1.39 4.07 -0.61 -3.43 115.31 109.77 1tnn h LEU 3 Ca -0.24 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.72 1tnn h LEU 3 Cb 1.13 -0.01 -0.21 0.00 1.08 0.00 0.00 40.66 42.66 1tnn h LEU 3 CO 0.35 0.04 0.31 -0.89 -1.08 0.00 0.00 178.44 177.17 1tnn s THR 4 N -5.11 0.00 0.01 0.22 2.01 -1.20 -4.91 115.64 106.66 1tnn s THR 4 Ca -0.06 0.00 0.04 0.00 0.31 0.00 0.00 61.69 61.98 1tnn s THR 4 Cb 0.22 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.69 1tnn s THR 4 CO 0.77 0.00 -0.08 -0.54 -0.69 0.00 0.00 174.62 174.08 1tnn s LYS 5 N -1.04 2.48 0.95 4.92 3.01 -1.26 -2.26 119.74 126.53 1tnn s LYS 5 Ca -0.07 -0.77 -0.13 0.00 -1.01 0.00 0.00 55.97 53.99 1tnn s LYS 5 Cb -0.01 -2.46 0.16 0.00 -1.01 0.00 0.00 37.83 34.52 1tnn s LYS 5 CO 0.06 0.59 1.15 -1.25 0.51 0.00 0.00 175.35 176.42 1tnn s PRO 6 N -1.47 0.85 0.00 -1.68 0.04 -1.26 -4.96 135.00 126.51 1tnn s PRO 6 Ca 0.17 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.40 1tnn s PRO 6 Cb -0.11 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1tnn s PRO 6 CO 0.08 -2.38 0.00 0.54 0.04 0.00 0.00 177.00 175.28 1tnn n ARG 7 N -3.87 2.47 -2.01 4.56 3.00 -1.26 -4.87 116.66 114.68 1tnn n ARG 7 Ca 0.08 0.00 -0.00 0.00 -0.01 0.00 0.00 57.85 57.92 1tnn n ARG 7 Cb 0.59 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 33.05 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 1.56 -1.83 0.55 7.64 -1.26 -4.20 113.62 116.09 1tnn n SER 8 Ca 0.00 -1.01 0.01 0.00 1.01 0.00 0.00 58.87 58.88 1tnn n SER 8 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 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 -0.01 0.02 -2.94 1.43 1.56 0.13 -4.86 117.12 112.44 1tnn n MET 9 Ca -0.00 -0.17 -0.01 0.00 -0.27 0.00 0.00 57.70 57.25 1tnn n MET 9 Cb 0.00 0.31 0.00 0.00 2.15 0.00 0.00 33.22 35.68 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 -2.04 -0.76 0.00 1.12 2.01 -1.26 -2.27 115.64 112.43 1tnn s THR 10 Ca 0.09 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.80 1tnn s THR 10 Cb -0.00 0.00 0.00 0.00 0.01 0.00 0.00 72.50 72.51 1tnn s THR 10 CO -0.01 0.00 0.00 1.33 -0.69 0.00 0.00 174.62 175.25 1tnn n VAL 11 N 3.68 0.00 0.00 3.82 0.24 0.18 -4.59 118.33 121.65 1tnn n VAL 11 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 1tnn n VAL 11 Cb 0.59 -1.56 0.00 0.00 -1.47 0.00 0.00 33.84 31.39 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 -1.39 0.00 -3.15 6.34 4.02 -1.26 0.45 117.16 122.16 1tnn n TYR 12 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.94 1tnn n TYR 12 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.31 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 -0.85 0.41 0.00 -0.72 2.12 -1.26 -3.81 118.70 114.58 1tnn s GLU 13 Ca 0.00 0.70 0.00 0.00 0.36 0.00 0.00 54.97 56.03 1tnn s GLU 13 Cb 0.00 0.38 0.00 0.00 0.26 0.00 0.00 34.13 34.77 1tnn s GLU 13 CO 0.00 -0.46 0.00 0.41 -0.54 0.00 0.00 175.26 174.67 1tnn n GLY 14 N 5.44 1.24 0.00 -1.50 0.00 -1.16 -4.95 105.19 104.26 1tnn n GLY 14 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.00 0.95 -3.81 1.61 -0.58 -1.26 -4.07 120.64 111.48 1tnn n GLU 15 Ca 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 1tnn n GLU 15 Cb 0.00 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 30.79 1tnn n GLU 15 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1tnn s SER 16 N -1.50 -0.05 -0.40 1.62 0.01 -1.25 -3.63 113.70 108.50 1tnn s SER 16 Ca 0.00 -0.21 0.09 0.00 1.31 0.00 0.00 55.95 57.14 1tnn s SER 16 Cb 0.00 0.29 0.28 0.00 0.21 0.00 0.00 66.02 66.80 1tnn s SER 16 CO 0.00 -0.51 0.65 0.00 0.41 0.00 0.00 173.24 173.79 1tnn n ALA 17 N 0.92 1.65 -0.89 1.44 0.00 -1.23 -4.92 120.51 117.47 1tnn n ALA 17 Ca -0.20 -3.03 -0.35 0.00 0.00 0.00 0.00 53.44 49.86 1tnn n ALA 17 Cb 0.58 -0.93 0.08 0.00 0.00 0.00 0.00 19.45 19.18 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 1.12 -0.24 -3.59 0.00 0.63 -1.26 -4.48 116.66 108.84 1tnn n ARG 18 Ca 0.20 -0.05 -0.13 0.00 -0.92 0.00 0.00 57.85 56.95 1tnn n ARG 18 Cb 0.58 -1.43 -0.05 0.00 0.45 0.00 0.00 32.46 32.01 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 -2.19 -0.38 -0.25 -0.14 0.08 0.44 -4.89 117.98 110.65 1tnn s PHE 19 Ca 0.48 0.34 -0.08 0.00 0.12 0.00 0.00 56.93 57.79 1tnn s PHE 19 Cb -0.17 0.33 0.11 0.00 -0.57 0.00 0.00 43.02 42.72 1tnn s PHE 19 CO 0.74 -0.66 0.53 0.45 -0.10 0.00 0.00 175.22 176.19 1tnn s SER 20 N -2.15 -0.70 0.53 1.36 0.15 -1.26 -0.78 113.70 110.85 1tnn s SER 20 Ca -0.04 1.25 0.03 0.00 0.70 0.00 0.00 55.95 57.90 1tnn s SER 20 Cb -0.00 1.82 0.03 0.00 -1.71 0.00 0.00 66.02 66.16 1tnn s SER 20 CO -0.04 -0.23 0.27 0.00 1.20 0.00 0.00 173.24 174.44 1tnn s ASP 22 N -4.05 0.15 -0.28 0.00 -1.08 -0.96 -1.80 116.67 108.66 1tnn s ASP 22 Ca 0.21 -0.43 -0.20 0.00 -0.52 0.00 0.00 52.55 51.61 1tnn s ASP 22 Cb -0.02 0.18 0.08 0.00 -1.46 0.00 0.00 42.92 41.71 1tnn s ASP 22 CO 0.13 -0.41 0.74 0.28 0.52 0.00 0.00 175.17 176.44 1tnn s THR 23 N -1.91 0.00 0.46 1.71 -1.32 -0.95 0.16 115.64 113.79 1tnn s THR 23 Ca -0.11 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.45 1tnn s THR 23 Cb -0.06 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.96 1tnn s THR 23 CO -0.02 0.00 0.57 1.51 -2.21 0.00 0.00 174.62 174.48 1tnn s ASP 24 N 1.00 5.36 0.00 8.08 1.47 -1.26 -4.71 116.67 126.61 1tnn s ASP 24 Ca -0.05 -0.63 0.00 0.00 1.18 0.00 0.00 52.55 53.06 1tnn s ASP 24 Cb -0.05 -0.37 0.00 0.00 -0.34 0.00 0.00 42.92 42.16 1tnn s ASP 24 CO -0.10 -0.89 0.00 0.61 0.68 0.00 0.00 175.17 175.47 1tnn n GLY 25 N -1.87 -0.80 3.14 2.12 0.00 -1.26 -4.16 105.19 102.35 1tnn n GLY 25 Ca 0.08 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.88 1tnn n GLY 25 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tnn s GLU 26 N -0.30 0.13 -0.32 1.61 -6.30 -1.26 -4.30 118.70 107.96 1tnn s GLU 26 Ca 0.00 0.12 -0.14 0.00 -2.50 0.00 0.00 54.97 52.45 1tnn s GLU 26 Cb 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 34.13 34.16 1tnn s GLU 26 CO 0.00 -0.24 0.33 -1.25 0.02 0.00 0.00 175.26 174.12 1tnn s PRO 27 N 2.94 3.71 0.06 4.30 0.04 -1.26 -4.52 135.00 140.27 1tnn s PRO 27 Ca 0.28 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.00 1tnn s PRO 27 Cb -0.01 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.77 1tnn s PRO 27 CO -0.23 -0.42 0.00 0.28 0.04 0.00 0.00 177.00 176.68 1tnn n VAL 28 N 5.18 -9.41 -0.64 -0.36 0.31 -1.26 -4.95 118.33 107.20 1tnn n VAL 28 Ca -0.10 2.28 -0.03 0.00 -0.01 0.00 0.00 64.34 66.49 1tnn n VAL 28 Cb 0.50 -4.46 0.02 0.00 -0.91 0.00 0.00 33.84 28.99 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 1.88 -1.03 -4.49 5.55 -0.04 -1.26 -4.79 135.00 130.82 1tnn n PRO 29 Ca 0.00 -0.17 -0.25 0.00 -0.04 0.00 0.00 63.50 63.04 1tnn n PRO 29 Cb 0.00 -0.15 -0.10 0.00 -0.04 0.00 0.00 33.50 33.21 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 -1.21 2.40 0.22 0.52 2.01 -1.24 -4.95 115.64 113.40 1tnn s THR 30 Ca 0.07 -2.24 0.10 0.00 0.31 0.00 0.00 61.69 59.93 1tnn s THR 30 Cb -0.01 -2.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 1tnn s THR 30 CO 0.05 -0.27 -0.19 0.54 -0.69 0.00 0.00 174.62 174.05 1tnn s VAL 31 N -2.56 2.17 -0.44 3.82 0.11 -1.26 -0.55 120.40 121.68 1tnn s VAL 31 Ca 0.32 -2.18 0.05 0.00 -2.93 0.00 0.00 61.98 57.24 1tnn s VAL 31 Cb -0.01 -2.11 0.19 0.00 -1.53 0.00 0.00 36.38 32.92 1tnn s VAL 31 CO 0.16 -0.36 0.51 0.41 -3.33 0.00 0.00 175.10 172.49 1tnn n THR 32 N -0.18 -0.74 -1.70 5.04 -1.04 0.38 -4.89 114.28 111.14 1tnn n THR 32 Ca -0.09 -2.71 -0.44 0.00 -2.04 0.00 0.00 64.05 58.78 1tnn n THR 32 Cb 0.59 -0.75 -0.03 0.00 -1.82 0.00 0.00 70.33 68.31 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 2.60 2.55 0.00 -1.42 7.02 -1.26 -2.01 117.44 124.92 1tnn n TRP 33 Ca 0.24 0.21 0.00 0.00 -1.02 0.00 0.00 57.50 56.93 1tnn n TRP 33 Cb 0.52 -2.59 0.00 0.00 -2.42 0.00 0.00 31.31 26.82 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 3.14 0.00 0.00 -0.99 -0.00 -0.26 -3.68 117.00 115.22 1tnn n LEU 34 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.15 1tnn n LEU 34 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.75 1tnn n LEU 34 CO 0.64 0.00 0.00 -1.14 -0.00 0.00 0.00 177.39 176.89 1tnn n ARG 35 N -0.00 0.00 0.18 1.47 3.00 -1.26 -2.75 116.66 117.30 1tnn n ARG 35 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 57.93 1tnn n ARG 35 Cb 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 32.46 32.49 1tnn n ARG 35 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1tnn h LYS 36 N 0.00 0.00 0.00 -0.14 1.57 -1.98 -3.46 116.57 112.56 1tnn h LYS 36 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1tnn h LYS 36 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1tnn h LYS 36 CO 0.00 0.19 0.00 0.41 -0.57 0.00 0.00 179.45 179.48 1tnn n GLY 37 N 1.15 1.30 1.43 3.86 0.00 -1.26 -5.01 105.19 106.67 1tnn n GLY 37 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 3.58 -2.02 1.61 7.27 -1.26 -4.89 117.38 121.67 1tnn n GLN 38 Ca 0.00 -2.24 -0.01 0.00 0.07 0.00 0.00 57.00 54.81 1tnn n GLN 38 Cb 0.00 -1.95 -0.00 0.00 2.41 0.00 0.00 30.24 30.70 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 0.57 -0.04 -3.15 1.69 0.24 -1.25 -3.37 118.33 113.03 1tnn n VAL 39 Ca 0.20 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.50 1tnn n VAL 39 Cb 0.86 -0.15 -0.00 0.00 -1.47 0.00 0.00 33.84 33.08 1tnn n VAL 39 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1tnn n LEU 40 N -2.06 -3.97 -4.44 1.34 4.32 -1.24 -4.39 117.00 106.56 1tnn n LEU 40 Ca -0.01 0.58 -0.46 0.00 -0.02 0.00 0.00 56.01 56.10 1tnn n LEU 40 Cb 0.36 -1.62 -0.14 0.00 -1.62 0.00 0.00 43.42 40.40 1tnn n LEU 40 CO 0.02 -1.83 2.10 -1.54 -1.22 0.00 0.00 177.39 174.92 1tnn n SER 41 N 1.59 0.47 -2.08 -1.43 3.41 -1.22 -4.75 113.62 109.61 1tnn n SER 41 Ca -0.00 0.29 -0.17 0.00 -0.26 0.00 0.00 58.87 58.72 1tnn n SER 41 Cb 0.36 -0.93 -0.04 0.00 -0.26 0.00 0.00 64.21 63.34 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 7.27 2.92 0.00 6.66 -2.24 -1.25 -1.04 114.28 126.59 1tnn n THR 42 Ca 0.62 -1.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.44 1tnn n THR 42 Cb 0.03 -1.58 0.00 0.00 -2.10 0.00 0.00 70.33 66.67 1tnn n THR 42 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1tnn n SER 43 N 1.11 0.00 0.02 3.42 2.88 -1.02 -4.62 113.62 115.41 1tnn n SER 43 Ca 0.36 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.84 1tnn n SER 43 Cb 0.63 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.98 1tnn n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1tnn h ALA 44 N 0.00 0.65 0.00 -1.46 0.00 -1.97 -3.44 119.26 113.04 1tnn h ALA 44 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1tnn h ALA 44 Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1tnn h ALA 44 CO 0.00 1.29 0.00 0.54 0.00 0.00 0.00 179.25 181.08 1tnn n ARG 45 N -3.09 1.63 -5.14 0.00 1.74 -1.25 -4.89 116.66 105.66 1tnn n ARG 45 Ca -0.10 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.66 1tnn n ARG 45 Cb 0.95 -0.14 -0.15 0.00 -1.02 0.00 0.00 32.46 32.11 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 0.00 2.49 -0.67 -1.55 3.76 -0.21 -3.14 115.29 115.97 1tnn s HIS 46 Ca 0.00 -0.41 -0.15 0.00 -0.15 0.00 0.00 55.06 54.36 1tnn s HIS 46 Cb 0.00 -1.57 0.17 0.00 1.11 0.00 0.00 32.58 32.29 1tnn s HIS 46 CO 0.00 -0.00 0.62 -0.65 -0.85 0.00 0.00 174.74 173.86 1tnn s GLN 47 N -0.53 3.26 0.11 1.40 -0.21 0.15 -2.44 119.66 121.39 1tnn s GLN 47 Ca 0.07 -2.07 -0.07 0.00 0.02 0.00 0.00 55.36 53.31 1tnn s GLN 47 Cb -0.11 -4.34 -0.06 0.00 1.00 0.00 0.00 33.01 29.50 1tnn s GLN 47 CO 0.01 -1.31 0.39 0.08 -2.12 0.00 0.00 175.29 172.34 1tnn s VAL 48 N 0.91 5.13 -0.29 1.09 1.01 -1.26 -0.79 120.40 126.20 1tnn s VAL 48 Ca 0.10 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.37 1tnn s VAL 48 Cb -0.21 -3.63 0.18 0.00 0.00 0.00 0.00 36.38 32.73 1tnn s VAL 48 CO -0.03 0.17 0.52 0.42 0.00 0.00 0.00 175.10 176.19 1tnn s THR 49 N -1.52 -0.87 0.44 3.92 -4.23 0.82 -4.97 115.64 109.23 1tnn s THR 49 Ca 0.37 -0.09 -0.12 0.00 -1.18 0.00 0.00 61.69 60.67 1tnn s THR 49 Cb -0.13 -0.98 -0.07 0.00 1.34 0.00 0.00 72.50 72.66 1tnn s THR 49 CO 0.21 -0.09 0.83 -0.89 -0.54 0.00 0.00 174.62 174.14 1tnn s THR 50 N 2.73 4.73 0.21 3.99 2.01 -1.26 -0.68 115.64 127.36 1tnn s THR 50 Ca 0.12 0.75 0.02 0.00 0.31 0.00 0.00 61.69 62.89 1tnn s THR 50 Cb -0.12 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 1tnn s THR 50 CO -0.26 -0.59 0.06 0.41 -0.69 0.00 0.00 174.62 173.55 1tnn n THR 51 N -1.45 0.00 0.00 -0.82 -1.04 0.64 -4.88 114.28 106.73 1tnn n THR 51 Ca 0.03 -1.17 0.00 0.00 -2.04 0.00 0.00 64.05 60.88 1tnn n THR 51 Cb 0.54 0.39 0.00 0.00 -1.82 0.00 0.00 70.33 69.44 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 -0.48 0.00 -0.06 -2.82 4.81 -1.26 -3.60 118.16 114.75 1tnn n LYS 52 Ca -0.04 0.82 0.06 0.00 -0.87 0.00 0.00 58.31 58.27 1tnn n LYS 52 Cb 0.30 -1.36 0.09 0.00 0.02 0.00 0.00 35.03 34.08 1tnn n LYS 52 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1tnn n TYR 53 N -2.37 0.05 -3.72 5.64 4.01 -1.26 -4.87 117.16 114.63 1tnn n TYR 53 Ca 0.00 -0.78 -0.12 0.00 -0.16 0.00 0.00 57.90 56.84 1tnn n TYR 53 Cb 0.00 -0.11 -0.11 0.00 -0.31 0.00 0.00 39.34 38.80 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 -2.08 0.35 0.48 -0.72 1.02 -1.24 -2.23 119.74 115.33 1tnn s LYS 54 Ca 0.19 0.64 0.07 0.00 0.02 0.00 0.00 55.97 56.90 1tnn s LYS 54 Cb 0.17 0.01 0.02 0.00 -0.52 0.00 0.00 37.83 37.50 1tnn s LYS 54 CO 0.02 -0.13 0.49 0.45 -0.92 0.00 0.00 175.35 175.26 1tnn s SER 55 N 1.05 5.00 -0.16 2.83 0.15 -0.75 -0.26 113.70 121.55 1tnn s SER 55 Ca -0.07 -0.88 -0.07 0.00 0.70 0.00 0.00 55.95 55.63 1tnn s SER 55 Cb -0.07 -0.13 0.07 0.00 -1.71 0.00 0.00 66.02 64.18 1tnn s SER 55 CO -0.08 -0.93 0.37 -0.89 1.20 0.00 0.00 173.24 172.90 1tnn s THR 56 N -2.59 -0.24 -0.06 6.45 2.01 0.14 -1.12 115.64 120.23 1tnn s THR 56 Ca 0.48 0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.65 1tnn s THR 56 Cb -0.04 -0.56 -0.03 0.00 0.01 0.00 0.00 72.50 71.88 1tnn s THR 56 CO 0.29 0.06 -0.11 0.12 -0.69 0.00 0.00 174.62 174.29 1tnn s PHE 57 N 1.83 2.81 0.33 4.92 5.36 0.04 -0.13 117.98 133.14 1tnn s PHE 57 Ca -0.06 -0.10 0.04 0.00 -0.96 0.00 0.00 56.93 55.85 1tnn s PHE 57 Cb -0.10 -1.67 -0.02 0.00 -0.34 0.00 0.00 43.02 40.89 1tnn s PHE 57 CO -0.11 0.23 0.34 -2.00 -1.46 0.00 0.00 175.22 172.22 1tnn s GLU 58 N -0.72 1.81 -0.12 10.12 -6.30 0.03 0.17 118.70 123.68 1tnn s GLU 58 Ca 0.11 -1.93 -0.19 0.00 -2.50 0.00 0.00 54.97 50.46 1tnn s GLU 58 Cb -0.11 0.36 0.05 0.00 0.00 0.00 0.00 34.13 34.43 1tnn s GLU 58 CO 0.01 -0.70 0.48 0.42 0.02 0.00 0.00 175.26 175.49 1tnn s ILE 59 N -3.31 0.01 0.00 -3.70 1.09 -1.26 -0.68 121.20 113.36 1tnn s ILE 59 Ca 0.37 -0.12 0.00 0.00 -1.10 0.00 0.00 60.65 59.80 1tnn s ILE 59 Cb 0.01 -0.73 0.00 0.00 -1.06 0.00 0.00 42.46 40.69 1tnn s ILE 59 CO 0.25 -0.07 0.62 -0.24 -0.10 0.00 0.00 174.94 175.41 1tnn n SER 60 N 2.08 0.00 -1.84 3.58 2.88 -1.19 -3.57 113.62 115.56 1tnn n SER 60 Ca -0.16 -1.29 -0.01 0.00 -1.33 0.00 0.00 58.87 56.07 1tnn n SER 60 Cb 0.56 -0.06 0.05 0.00 -0.75 0.00 0.00 64.21 64.01 1tnn n SER 60 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1tnn n SER 61 N 0.00 -0.67 -4.80 -3.46 2.88 -1.23 -4.72 113.62 101.62 1tnn n SER 61 Ca 0.00 -1.48 -0.33 0.00 -1.33 0.00 0.00 58.87 55.73 1tnn n SER 61 Cb 0.56 0.30 0.00 0.00 -0.75 0.00 0.00 64.21 64.32 1tnn n SER 61 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1tnn s VAL 62 N 0.05 3.82 0.00 2.46 0.11 -1.25 -4.60 120.40 120.99 1tnn s VAL 62 Ca 0.04 0.91 0.00 0.00 -2.93 0.00 0.00 61.98 60.00 1tnn s VAL 62 Cb 0.18 -3.40 0.00 0.00 -1.53 0.00 0.00 36.38 31.63 1tnn s VAL 62 CO -0.05 -0.45 0.00 0.00 -3.33 0.00 0.00 175.10 171.26 1tnn n GLN 63 N -1.80 2.47 -1.97 1.54 1.13 -1.26 -3.00 117.38 114.49 1tnn n GLN 63 Ca 0.09 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.73 1tnn n GLN 63 Cb 0.53 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.87 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 5.99 -2.07 -1.58 0.00 -1.26 -4.09 120.51 114.50 1tnn n ALA 64 Ca 0.00 -4.05 -0.01 0.00 0.00 0.00 0.00 53.44 49.37 1tnn n ALA 64 Cb 0.00 -3.14 0.01 0.00 0.00 0.00 0.00 19.45 16.31 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 4.02 -0.34 0.00 0.00 3.41 -1.26 -4.98 113.62 114.46 1tnn n SER 65 Ca 0.52 -0.93 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 1tnn n SER 65 Cb 0.33 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 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 -0.21 0.00 -0.54 4.04 8.00 -1.26 -5.13 116.55 121.45 1tnn n ASP 66 Ca -0.07 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.50 1tnn n ASP 66 Cb 0.49 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.57 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 0.00 -1.03 0.00 -1.24 0.28 -1.26 -4.86 120.64 112.54 1tnn n GLU 67 Ca 0.00 0.69 0.00 0.00 -0.16 0.00 0.00 57.16 57.69 1tnn n GLU 67 Cb 0.00 -1.29 0.00 0.00 1.43 0.00 0.00 31.44 31.58 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 -1.92 -0.47 1.39 -1.84 0.00 -1.18 -4.53 105.19 96.64 1tnn n GLY 68 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.48 0.13 -4.23 1.61 3.02 -1.26 -2.58 115.26 109.47 1tnn n ASN 69 Ca 0.00 0.08 -0.29 0.00 -0.03 0.00 0.00 54.58 54.35 1tnn n ASN 69 Cb 0.00 -0.37 -0.16 0.00 -0.61 0.00 0.00 39.78 38.64 1tnn n ASN 69 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1tnn s TYR 70 N 3.53 2.04 0.03 3.10 2.02 0.09 -4.55 117.35 123.61 1tnn s TYR 70 Ca 0.54 -0.49 0.07 0.00 -0.37 0.00 0.00 57.07 56.82 1tnn s TYR 70 Cb -0.51 -1.33 -0.02 0.00 -0.40 0.00 0.00 41.96 39.70 1tnn s TYR 70 CO 0.20 -0.11 -0.19 -1.12 -1.57 0.00 0.00 175.55 172.76 1tnn s SER 71 N -0.31 2.30 -0.43 2.29 0.01 -1.11 -1.12 113.70 115.32 1tnn s SER 71 Ca 0.03 -0.46 -0.14 0.00 1.31 0.00 0.00 55.95 56.69 1tnn s SER 71 Cb -0.10 -0.21 0.05 0.00 0.21 0.00 0.00 66.02 65.97 1tnn s SER 71 CO 0.01 0.17 0.33 0.54 0.41 0.00 0.00 173.24 174.69 1tnn s VAL 72 N -0.70 5.06 -0.42 3.43 0.11 0.40 -1.10 120.40 127.18 1tnn s VAL 72 Ca 0.07 -0.93 -0.25 0.00 -2.93 0.00 0.00 61.98 57.94 1tnn s VAL 72 Cb -0.08 -3.93 0.02 0.00 -1.53 0.00 0.00 36.38 30.86 1tnn s VAL 72 CO 0.01 -0.44 0.87 -0.69 -3.33 0.00 0.00 175.10 171.52 1tnn s VAL 73 N 1.62 4.58 -0.24 2.04 1.01 -0.85 -0.79 120.40 127.78 1tnn s VAL 73 Ca 0.04 0.81 -0.03 0.00 0.00 0.00 0.00 61.98 62.80 1tnn s VAL 73 Cb -0.22 -4.34 0.01 0.00 0.00 0.00 0.00 36.38 31.83 1tnn s VAL 73 CO 0.07 -0.67 -0.04 -0.69 0.00 0.00 0.00 175.10 173.78 1tnn s VAL 74 N 3.47 3.23 0.00 2.92 1.01 0.11 0.14 120.40 131.29 1tnn s VAL 74 Ca 0.35 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1tnn s VAL 74 Cb -0.11 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1tnn s VAL 74 CO 0.22 0.30 0.00 -1.84 0.00 0.00 0.00 175.10 173.78 1tnn n GLU 75 N 4.76 1.30 -3.55 2.72 0.28 0.29 -1.02 120.64 125.41 1tnn n GLU 75 Ca -0.17 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.74 1tnn n GLU 75 Cb 0.49 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.34 1tnn n GLU 75 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1tnn s ASN 76 N -1.17 -0.42 0.62 -1.84 3.84 0.29 -3.61 114.94 112.65 1tnn s ASN 76 Ca 0.00 -0.14 0.26 0.00 0.21 0.00 0.00 52.86 53.19 1tnn s ASN 76 Cb 0.00 0.55 1.32 0.00 -0.55 0.00 0.00 41.25 42.57 1tnn s ASN 76 CO 0.00 -0.93 1.74 0.77 -2.79 0.00 0.00 177.10 175.89 1tnn h SER 77 N 2.00 0.00 -0.03 -4.21 4.64 -1.87 -2.97 113.55 111.12 1tnn h SER 77 Ca -0.27 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.86 1tnn h SER 77 Cb 1.27 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.20 1tnn h SER 77 CO 0.32 0.00 -0.33 -1.84 -0.87 0.00 0.00 176.83 174.11 1tnn n GLU 78 N -3.32 1.35 -3.67 4.77 0.00 -1.26 -5.07 120.64 113.44 1tnn n GLU 78 Ca 0.07 -1.44 -0.03 0.00 0.00 0.00 0.00 57.16 55.76 1tnn n GLU 78 Cb 0.74 0.24 0.02 0.00 0.00 0.00 0.00 31.44 32.44 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 -1.32 0.64 3.13 -1.84 0.00 -1.12 -5.18 105.19 99.50 1tnn n GLY 79 Ca -0.14 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.05 0.37 0.19 1.61 2.47 -1.26 -0.55 119.74 120.52 1tnn s LYS 80 Ca 0.21 0.11 -0.03 0.00 -1.56 0.00 0.00 55.97 54.70 1tnn s LYS 80 Cb -0.03 0.17 0.01 0.00 -1.46 0.00 0.00 37.83 36.52 1tnn s LYS 80 CO 0.05 -0.07 0.30 1.04 0.16 0.00 0.00 175.35 176.82 1tnn n GLN 81 N 2.43 0.42 -3.72 4.03 1.13 -0.19 -4.97 117.38 116.51 1tnn n GLN 81 Ca -0.16 -1.35 0.01 0.00 -1.94 0.00 0.00 57.00 53.57 1tnn n GLN 81 Cb 0.57 1.39 -0.00 0.00 0.11 0.00 0.00 30.24 32.32 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 -2.30 0.54 0.14 -1.09 1.03 -1.26 -0.71 118.70 115.05 1tnn s GLU 82 Ca 0.13 -0.31 -0.04 0.00 0.03 0.00 0.00 54.97 54.77 1tnn s GLU 82 Cb -0.01 0.17 -0.03 0.00 -0.80 0.00 0.00 34.13 33.46 1tnn s GLU 82 CO 0.09 -0.25 0.14 0.00 -1.33 0.00 0.00 175.26 173.92 1tnn s ALA 83 N -2.41 0.52 0.00 -0.84 0.00 0.03 -4.90 121.76 114.16 1tnn s ALA 83 Ca 0.17 -1.24 -0.07 0.00 0.00 0.00 0.00 51.96 50.83 1tnn s ALA 83 Cb 0.03 0.85 0.00 0.00 0.00 0.00 0.00 23.12 24.00 1tnn s ALA 83 CO -0.02 -0.55 0.13 -2.00 0.00 0.00 0.00 175.76 173.32 1tnn s GLU 84 N -4.01 0.48 0.00 0.00 2.56 -1.26 -0.45 118.70 116.01 1tnn s GLU 84 Ca 0.21 -0.41 0.00 0.00 0.00 0.00 0.00 54.97 54.77 1tnn s GLU 84 Cb 0.06 0.20 0.00 0.00 2.00 0.00 0.00 34.13 36.39 1tnn s GLU 84 CO 0.01 -0.11 0.00 1.97 -0.56 0.00 0.00 175.26 176.57 1tnn n PHE 85 N 1.46 0.00 -3.91 5.30 -1.74 -0.27 -4.94 117.46 113.35 1tnn n PHE 85 Ca -0.23 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.57 1tnn n PHE 85 Cb 0.55 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.54 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 -1.79 0.00 -0.35 1.97 -4.23 -1.26 -0.73 115.64 109.24 1tnn s THR 86 Ca 0.00 -1.19 -0.05 0.00 -1.18 0.00 0.00 61.69 59.27 1tnn s THR 86 Cb 0.00 -2.40 0.23 0.00 1.34 0.00 0.00 72.50 71.66 1tnn s THR 86 CO 0.00 0.00 1.11 -0.11 -0.54 0.00 0.00 174.62 175.08 1tnn n LEU 87 N -0.48 -1.56 0.00 4.79 7.94 -1.06 0.18 117.00 126.82 1tnn n LEU 87 Ca -0.04 -1.26 0.00 0.00 -1.11 0.00 0.00 56.01 53.60 1tnn n LEU 87 Cb 0.60 0.57 0.00 0.00 0.53 0.00 0.00 43.42 45.12 1tnn n LEU 87 CO 0.22 1.31 0.00 0.41 -1.11 0.00 0.00 177.39 178.22 1tnn n THR 88 N 2.37 0.00 -3.18 1.96 -1.04 -0.96 -3.12 114.28 110.31 1tnn n THR 88 Ca 0.10 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.90 1tnn n THR 88 Cb 0.66 -1.96 -0.04 0.00 -1.82 0.00 0.00 70.33 67.17 1tnn n THR 88 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1tnn n ILE 89 N -1.93 -0.08 -2.40 12.58 -0.00 -1.22 0.49 119.36 126.79 1tnn n ILE 89 Ca 0.00 -4.48 -0.00 0.00 -0.00 0.00 0.00 62.75 58.26 1tnn n ILE 89 Cb 0.00 -0.90 0.00 0.00 -0.00 0.00 0.00 39.64 38.74 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 0.62 -2.56 0.00 6.28 0.00 0.17 -4.60 117.38 117.29 1tnn n GLN 90 Ca 0.24 2.18 0.00 0.00 -0.00 0.00 0.00 57.00 59.42 1tnn n GLN 90 Cb 0.60 -4.25 0.00 0.00 0.00 0.00 0.00 30.24 26.59 1tnn n GLN 90 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42