#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 -8.82 -0.05 0.55 2.08 -1.26 -4.84 119.36 107.03 1tnn n ILE 2 Ca 0.00 0.73 -0.09 0.00 0.56 0.00 0.00 62.75 63.95 1tnn n ILE 2 Cb 0.00 -6.05 0.07 0.00 -0.75 0.00 0.00 39.64 32.90 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 2.17 0.73 -7.22 1.39 3.38 -1.43 -3.45 115.31 110.88 1tnn h LEU 3 Ca -0.16 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.40 1tnn h LEU 3 Cb 1.04 -0.20 -0.21 0.00 0.09 0.00 0.00 40.66 41.37 1tnn h LEU 3 CO 0.19 1.03 -0.06 -0.89 0.09 0.00 0.00 178.44 178.80 1tnn s THR 4 N -4.32 0.01 0.19 0.22 2.01 -1.21 -4.96 115.64 107.59 1tnn s THR 4 Ca -0.09 -0.11 0.02 0.00 0.31 0.00 0.00 61.69 61.82 1tnn s THR 4 Cb 0.12 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 1tnn s THR 4 CO 0.84 -0.06 0.35 -1.59 -0.69 0.00 0.00 174.62 173.46 1tnn s LYS 5 N -0.46 3.46 0.56 4.92 -2.85 -1.26 -2.30 119.74 121.81 1tnn s LYS 5 Ca -0.06 -0.54 -0.17 0.00 -1.00 0.00 0.00 55.97 54.20 1tnn s LYS 5 Cb -0.03 -2.90 -0.05 0.00 -2.06 0.00 0.00 37.83 32.79 1tnn s LYS 5 CO 0.04 0.45 1.05 -1.25 0.10 0.00 0.00 175.35 175.73 1tnn s PRO 6 N -3.48 3.49 0.00 1.78 0.04 -1.26 -4.87 135.00 130.71 1tnn s PRO 6 Ca 0.36 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1tnn s PRO 6 Cb -0.11 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1tnn s PRO 6 CO 0.29 -0.67 0.00 2.89 0.04 0.00 0.00 177.00 179.55 1tnn n ARG 7 N -1.71 1.69 -4.01 4.56 1.85 -1.26 -4.81 116.66 112.96 1tnn n ARG 7 Ca 0.09 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.84 1tnn n ARG 7 Cb 0.53 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.88 1tnn n ARG 7 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1tnn s SER 8 N -1.20 -0.00 0.00 2.89 0.01 -1.26 -4.52 113.70 109.61 1tnn s SER 8 Ca 0.00 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.26 1tnn s SER 8 Cb 0.00 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.82 1tnn s SER 8 CO 0.00 -1.15 0.00 1.15 0.41 0.00 0.00 173.24 173.65 1tnn n MET 9 N -0.39 -1.79 -3.66 12.44 0.00 -0.68 -4.97 117.12 118.07 1tnn n MET 9 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 57.70 57.42 1tnn n MET 9 Cb 0.62 0.00 -0.17 0.00 0.00 0.00 0.00 33.22 33.67 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 -2.74 0.18 0.00 3.17 2.01 -1.26 -2.70 115.64 114.30 1tnn s THR 10 Ca 0.00 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 61.61 1tnn s THR 10 Cb 0.00 -0.81 0.00 0.00 0.01 0.00 0.00 72.50 71.70 1tnn s THR 10 CO 0.00 -0.30 0.00 1.33 -0.69 0.00 0.00 174.62 174.96 1tnn n VAL 11 N 5.18 0.00 0.00 3.82 0.24 -0.49 -4.91 118.33 122.17 1tnn n VAL 11 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1tnn n VAL 11 Cb 0.48 -0.55 0.00 0.00 -1.47 0.00 0.00 33.84 32.29 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 -0.34 0.00 -3.25 6.34 4.02 -1.26 -1.94 117.16 120.73 1tnn n TYR 12 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.84 1tnn n TYR 12 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.28 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 -0.19 0.47 -1.52 -0.72 2.12 -1.26 -1.76 118.70 115.84 1tnn s GLU 13 Ca 0.00 0.24 -0.10 0.00 0.36 0.00 0.00 54.97 55.47 1tnn s GLU 13 Cb 0.00 -0.13 0.07 0.00 0.26 0.00 0.00 34.13 34.33 1tnn s GLU 13 CO 0.00 -1.05 0.74 0.41 -0.54 0.00 0.00 175.26 174.82 1tnn n GLY 14 N 5.34 -0.38 0.36 -1.50 0.00 -1.23 -4.65 105.19 103.14 1tnn n GLY 14 Ca 0.02 0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.47 1.27 0.00 1.61 -0.58 -1.26 -4.77 120.64 112.44 1tnn n GLU 15 Ca -0.09 -1.35 0.00 0.00 -0.42 0.00 0.00 57.16 55.30 1tnn n GLU 15 Cb 0.58 -1.16 0.00 0.00 -0.57 0.00 0.00 31.44 30.29 1tnn n GLU 15 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1tnn n SER 16 N 0.33 0.00 -4.35 1.62 7.64 -1.26 -4.97 113.62 112.62 1tnn n SER 16 Ca 0.06 0.00 -0.53 0.00 1.01 0.00 0.00 58.87 59.41 1tnn n SER 16 Cb 0.27 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.34 1tnn n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tnn n ALA 17 N 0.00 0.32 -3.54 -0.43 0.00 -1.26 -4.87 120.51 110.72 1tnn n ALA 17 Ca 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.14 1tnn n ALA 17 Cb 0.00 -2.20 -0.14 0.00 0.00 0.00 0.00 19.45 17.11 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 7.05 0.45 0.49 0.00 3.52 -1.26 -2.78 118.95 126.41 1tnn s ARG 18 Ca 1.24 -0.97 -0.03 0.00 -0.13 0.00 0.00 55.73 55.84 1tnn s ARG 18 Cb -1.34 -1.38 -0.01 0.00 -1.56 0.00 0.00 34.95 30.66 1tnn s ARG 18 CO 0.58 -1.09 0.76 -0.06 -0.81 0.00 0.00 175.30 174.68 1tnn s PHE 19 N 1.56 3.34 -0.30 5.12 0.08 -0.54 -4.94 117.98 122.30 1tnn s PHE 19 Ca 0.13 0.50 -0.12 0.00 0.12 0.00 0.00 56.93 57.56 1tnn s PHE 19 Cb -0.19 -2.40 0.18 0.00 -0.57 0.00 0.00 43.02 40.03 1tnn s PHE 19 CO -0.19 -0.44 1.06 -1.54 -0.10 0.00 0.00 175.22 174.01 1tnn s SER 20 N -4.20 -0.41 0.35 1.36 1.04 -1.26 -2.13 113.70 108.44 1tnn s SER 20 Ca 0.49 0.15 0.04 0.00 0.48 0.00 0.00 55.95 57.11 1tnn s SER 20 Cb -0.10 1.30 0.04 0.00 0.10 0.00 0.00 66.02 67.36 1tnn s SER 20 CO 0.42 -0.08 0.34 0.00 0.98 0.00 0.00 173.24 174.90 1tnn s ASP 22 N -3.07 1.15 0.01 0.00 2.15 -0.97 -2.05 116.67 113.88 1tnn s ASP 22 Ca 0.26 -0.53 0.01 0.00 0.43 0.00 0.00 52.55 52.72 1tnn s ASP 22 Cb -0.02 -0.01 -0.01 0.00 -0.30 0.00 0.00 42.92 42.58 1tnn s ASP 22 CO 0.16 -0.13 -0.04 0.28 -0.17 0.00 0.00 175.17 175.27 1tnn s THR 23 N -1.23 0.32 0.00 1.71 -1.32 -0.91 -1.09 115.64 113.12 1tnn s THR 23 Ca -0.06 -0.40 0.00 0.00 -1.21 0.00 0.00 61.69 60.02 1tnn s THR 23 Cb -0.09 -0.32 0.00 0.00 -1.51 0.00 0.00 72.50 70.58 1tnn s THR 23 CO 0.01 -0.06 0.00 -0.90 -2.21 0.00 0.00 174.62 171.46 1tnn n ASP 24 N 2.57 -0.86 -3.68 8.08 5.75 -1.26 -4.63 116.55 122.52 1tnn n ASP 24 Ca -0.16 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.50 1tnn n ASP 24 Cb 0.58 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.54 1tnn n ASP 24 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1tnn s GLY 25 N -1.33 -0.17 -0.39 6.12 0.00 -1.26 -3.99 107.32 106.30 1tnn s GLY 25 Ca 0.00 1.08 0.05 0.00 0.00 0.00 0.00 44.72 45.85 1tnn s GLY 25 CO 0.00 1.90 1.25 -2.21 0.00 0.00 0.00 173.10 174.04 1tnn n GLU 26 N 5.10 0.63 -3.66 2.90 0.00 -1.26 -4.23 120.64 120.12 1tnn n GLU 26 Ca -0.11 -1.34 -0.38 0.00 0.00 0.00 0.00 57.16 55.33 1tnn n GLU 26 Cb 0.51 -0.49 -0.12 0.00 0.00 0.00 0.00 31.44 31.34 1tnn n GLU 26 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1tnn s PRO 27 N 0.15 3.46 -0.08 5.31 0.04 -1.26 -4.49 135.00 138.13 1tnn s PRO 27 Ca 0.19 -0.64 -0.04 0.00 0.04 0.00 0.00 61.00 60.55 1tnn s PRO 27 Cb 0.28 -3.55 0.02 0.00 0.04 0.00 0.00 34.50 31.29 1tnn s PRO 27 CO -0.11 -0.36 0.09 0.28 0.04 0.00 0.00 177.00 176.94 1tnn n VAL 28 N 4.99 -5.62 -0.14 -0.36 0.31 -1.26 -4.90 118.33 111.35 1tnn n VAL 28 Ca -0.14 1.07 0.00 0.00 -0.01 0.00 0.00 64.34 65.26 1tnn n VAL 28 Cb 0.50 -4.12 0.00 0.00 -0.91 0.00 0.00 33.84 29.31 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 2.08 0.30 0.00 5.55 -0.04 -1.26 -4.88 135.00 136.76 1tnn n PRO 29 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1tnn n PRO 29 Cb 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.72 1tnn n PRO 29 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1tnn n THR 30 N -1.22 0.00 -3.57 0.52 5.66 -0.77 -5.00 114.28 109.90 1tnn n THR 30 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 1tnn n THR 30 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 1tnn n THR 30 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1tnn s VAL 31 N 2.87 0.00 -0.43 1.08 0.11 -1.26 -4.26 120.40 118.51 1tnn s VAL 31 Ca 0.00 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.11 1tnn s VAL 31 Cb 0.00 -1.00 0.21 0.00 -1.53 0.00 0.00 36.38 34.06 1tnn s VAL 31 CO 0.00 0.00 0.52 0.41 -3.33 0.00 0.00 175.10 172.70 1tnn n THR 32 N 0.44 -0.72 -1.69 5.04 -1.04 0.23 -4.91 114.28 111.64 1tnn n THR 32 Ca -0.08 -3.01 -0.40 0.00 -2.04 0.00 0.00 64.05 58.52 1tnn n THR 32 Cb 0.59 -0.96 0.03 0.00 -1.82 0.00 0.00 70.33 68.17 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 2.25 1.80 0.00 -1.42 7.02 -1.26 -1.97 117.44 123.86 1tnn n TRP 33 Ca 0.23 0.47 0.00 0.00 -1.02 0.00 0.00 57.50 57.18 1tnn n TRP 33 Cb 0.53 -2.31 0.00 0.00 -2.42 0.00 0.00 31.31 27.11 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 -0.36 0.00 0.00 -0.99 -0.00 0.60 -2.34 117.00 113.92 1tnn n LEU 34 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.11 1tnn n LEU 34 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 1tnn n LEU 34 CO 0.55 0.00 0.00 -1.14 -0.00 0.00 0.00 177.39 176.80 1tnn n ARG 35 N -0.70 0.00 0.07 1.47 0.63 -1.26 -0.80 116.66 116.07 1tnn n ARG 35 Ca 0.00 0.01 -0.02 0.00 -0.92 0.00 0.00 57.85 56.92 1tnn n ARG 35 Cb 0.00 -0.15 -0.06 0.00 0.45 0.00 0.00 32.46 32.70 1tnn n ARG 35 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 1tnn h LYS 36 N 0.00 0.00 0.00 -0.14 2.10 -1.97 -3.45 116.57 113.10 1tnn h LYS 36 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1tnn h LYS 36 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1tnn h LYS 36 CO 0.00 0.53 0.00 0.41 -2.00 0.00 0.00 179.45 178.39 1tnn n GLY 37 N 1.35 0.10 0.89 0.07 0.00 -1.26 -5.04 105.19 101.29 1tnn n GLY 37 Ca -0.05 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.63 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 2.11 -1.92 1.61 7.27 -1.26 -5.04 117.38 120.15 1tnn n GLN 38 Ca 0.00 -3.00 0.00 0.00 0.07 0.00 0.00 57.00 54.07 1tnn n GLN 38 Cb 0.00 -1.77 0.00 0.00 2.41 0.00 0.00 30.24 30.88 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 -0.96 -0.76 0.30 1.69 0.24 -1.24 -4.74 118.33 112.86 1tnn n VAL 39 Ca 0.26 0.08 0.19 0.00 -2.04 0.00 0.00 64.34 62.83 1tnn n VAL 39 Cb 0.91 -1.58 0.95 0.00 -1.47 0.00 0.00 33.84 32.65 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 3.51 0.00 -8.07 1.34 4.07 -1.82 -3.38 115.31 110.96 1tnn h LEU 40 Ca 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.82 1tnn h LEU 40 Cb 0.15 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.85 1tnn h LEU 40 CO 0.00 0.02 1.09 -1.54 -1.08 0.00 0.00 178.44 176.93 1tnn n SER 41 N -3.20 -0.66 -3.79 -0.43 3.41 -1.26 -3.24 113.62 104.45 1tnn n SER 41 Ca -0.02 -1.23 -0.30 0.00 -0.26 0.00 0.00 58.87 57.07 1tnn n SER 41 Cb 0.18 -0.92 0.01 0.00 -0.26 0.00 0.00 64.21 63.22 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 6.29 -4.14 -1.90 6.66 -2.24 -1.26 -4.80 114.28 112.89 1tnn n THR 42 Ca 0.41 -0.33 -0.41 0.00 -2.27 0.00 0.00 64.05 61.45 1tnn n THR 42 Cb 0.34 -3.32 -0.01 0.00 -2.10 0.00 0.00 70.33 65.25 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 -2.42 6.35 -1.33 3.42 7.64 -1.20 -4.55 113.62 121.53 1tnn n SER 43 Ca -0.20 -2.95 -0.15 0.00 1.01 0.00 0.00 58.87 56.57 1tnn n SER 43 Cb 0.63 -1.50 -0.07 0.00 -1.01 0.00 0.00 64.21 62.26 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 3.74 -0.24 0.00 -0.43 0.00 -1.26 -4.26 120.51 118.06 1tnn n ALA 44 Ca 0.56 0.25 0.00 0.00 0.00 0.00 0.00 53.44 54.25 1tnn n ALA 44 Cb 0.31 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 18.05 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 -1.80 0.00 -1.22 0.00 1.74 -1.26 -5.13 116.66 108.99 1tnn n ARG 45 Ca -0.15 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.63 1tnn n ARG 45 Cb 0.56 0.00 0.21 0.00 -1.02 0.00 0.00 32.46 32.21 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 -1.12 1.21 -0.34 -1.55 3.76 -1.26 -4.14 115.29 111.85 1tnn s HIS 46 Ca 0.00 0.64 0.16 0.00 -0.15 0.00 0.00 55.06 55.71 1tnn s HIS 46 Cb 0.00 -3.46 0.44 0.00 1.11 0.00 0.00 32.58 30.67 1tnn s HIS 46 CO 0.00 -3.37 0.93 0.94 -0.85 0.00 0.00 174.74 172.39 1tnn n GLN 47 N -4.43 1.37 -0.49 1.40 7.27 -0.02 -4.36 117.38 118.12 1tnn n GLN 47 Ca 0.10 -3.42 -0.29 0.00 0.07 0.00 0.00 57.00 53.47 1tnn n GLN 47 Cb 0.59 -1.43 0.27 0.00 2.41 0.00 0.00 30.24 32.08 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 -3.27 1.85 -0.30 1.69 1.01 -1.26 -2.71 120.40 117.41 1tnn s VAL 48 Ca 0.31 0.00 -0.16 0.00 0.00 0.00 0.00 61.98 62.13 1tnn s VAL 48 Cb 0.43 -2.05 0.18 0.00 0.00 0.00 0.00 36.38 34.94 1tnn s VAL 48 CO -0.00 0.00 1.17 0.28 0.00 0.00 0.00 175.10 176.55 1tnn s THR 49 N -2.41 -0.12 0.07 3.92 -1.32 0.12 -4.76 115.64 111.15 1tnn s THR 49 Ca 0.69 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 61.18 1tnn s THR 49 Cb -0.23 -0.72 -0.04 0.00 -1.51 0.00 0.00 72.50 70.00 1tnn s THR 49 CO 0.64 0.00 0.19 -0.89 -2.21 0.00 0.00 174.62 172.34 1tnn s THR 50 N 2.98 5.19 0.09 5.08 2.01 -1.26 -1.60 115.64 128.13 1tnn s THR 50 Ca 0.04 -0.51 -0.27 0.00 0.31 0.00 0.00 61.69 61.27 1tnn s THR 50 Cb -0.06 -3.54 0.09 0.00 0.01 0.00 0.00 72.50 69.00 1tnn s THR 50 CO -0.12 0.11 1.09 0.42 -0.69 0.00 0.00 174.62 175.43 1tnn s THR 51 N -1.51 0.00 0.00 -0.82 -4.23 -0.71 -4.98 115.64 103.39 1tnn s THR 51 Ca 0.34 -0.49 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 1tnn s THR 51 Cb -0.13 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.71 1tnn s THR 51 CO 0.27 0.00 0.00 2.29 -0.54 0.00 0.00 174.62 176.64 1tnn n LYS 52 N -0.48 0.00 -0.91 3.99 2.85 -1.26 -1.55 118.16 120.80 1tnn n LYS 52 Ca -0.07 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.11 1tnn n LYS 52 Cb 0.62 0.00 0.21 0.00 -0.65 0.00 0.00 35.03 35.21 1tnn n LYS 52 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1tnn n TYR 53 N 12.31 1.77 -3.96 5.58 4.02 -1.26 -4.97 117.16 130.66 1tnn n TYR 53 Ca 0.00 -1.55 -0.09 0.00 -0.01 0.00 0.00 57.90 56.25 1tnn n TYR 53 Cb 0.00 -0.62 -0.04 0.00 -0.02 0.00 0.00 39.34 38.66 1tnn n TYR 53 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1tnn s LYS 54 N -3.19 1.70 0.04 -0.72 1.02 -0.60 -2.13 119.74 115.86 1tnn s LYS 54 Ca 0.49 -1.25 -0.02 0.00 0.02 0.00 0.00 55.97 55.20 1tnn s LYS 54 Cb 0.42 0.51 -0.03 0.00 -0.52 0.00 0.00 37.83 38.22 1tnn s LYS 54 CO 0.05 -0.73 0.01 0.45 -0.92 0.00 0.00 175.35 174.21 1tnn s SER 55 N -3.02 0.33 -0.05 2.83 0.15 -0.87 -1.74 113.70 111.34 1tnn s SER 55 Ca 0.20 -0.74 -0.06 0.00 0.70 0.00 0.00 55.95 56.05 1tnn s SER 55 Cb -0.02 0.19 0.01 0.00 -1.71 0.00 0.00 66.02 64.49 1tnn s SER 55 CO 0.10 -0.51 0.15 0.42 1.20 0.00 0.00 173.24 174.60 1tnn s THR 56 N -2.99 0.02 -0.23 6.45 -4.23 -0.63 -0.63 115.64 113.41 1tnn s THR 56 Ca -0.02 -0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 1tnn s THR 56 Cb 0.01 -0.27 0.03 0.00 1.34 0.00 0.00 72.50 73.61 1tnn s THR 56 CO -0.06 -0.08 -0.12 0.12 -0.54 0.00 0.00 174.62 173.93 1tnn s PHE 57 N -0.22 3.01 -0.51 3.99 5.36 -0.91 0.11 117.98 128.81 1tnn s PHE 57 Ca -0.03 -1.75 -0.16 0.00 -0.96 0.00 0.00 56.93 54.03 1tnn s PHE 57 Cb -0.02 -1.98 0.11 0.00 -0.34 0.00 0.00 43.02 40.78 1tnn s PHE 57 CO 0.00 -0.79 0.46 -2.00 -1.46 0.00 0.00 175.22 171.44 1tnn s GLU 58 N 1.26 2.99 -0.85 10.12 -6.30 -1.10 -1.47 118.70 123.35 1tnn s GLU 58 Ca -0.00 -1.55 -0.25 0.00 -2.50 0.00 0.00 54.97 50.67 1tnn s GLU 58 Cb -0.16 -4.23 -0.04 0.00 0.00 0.00 0.00 34.13 29.70 1tnn s GLU 58 CO -0.08 -1.21 1.93 0.42 0.02 0.00 0.00 175.26 176.34 1tnn s ILE 59 N 1.65 3.44 0.09 -3.70 1.01 -1.12 -0.84 121.20 121.72 1tnn s ILE 59 Ca 0.04 -0.28 0.05 0.00 0.00 0.00 0.00 60.65 60.46 1tnn s ILE 59 Cb -0.27 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 1tnn s ILE 59 CO 0.05 -0.95 -0.04 -0.94 0.00 0.00 0.00 174.94 173.06 1tnn s SER 60 N 8.02 4.80 -1.23 3.58 1.04 -1.26 -3.51 113.70 125.14 1tnn s SER 60 Ca 0.69 -0.24 -0.03 0.00 0.48 0.00 0.00 55.95 56.86 1tnn s SER 60 Cb -0.08 -1.08 0.02 0.00 0.10 0.00 0.00 66.02 64.99 1tnn s SER 60 CO 0.03 0.19 0.21 -1.54 0.98 0.00 0.00 173.24 173.11 1tnn n SER 61 N 0.71 -4.28 -4.77 7.02 3.41 -1.26 -4.02 113.62 110.43 1tnn n SER 61 Ca -0.12 -0.04 -0.36 0.00 -0.26 0.00 0.00 58.87 58.09 1tnn n SER 61 Cb 0.52 -3.58 0.00 0.00 -0.26 0.00 0.00 64.21 60.89 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 -2.81 3.07 0.00 -3.33 0.11 -1.26 -4.84 120.40 111.34 1tnn s VAL 62 Ca 0.15 0.72 0.00 0.00 -2.93 0.00 0.00 61.98 59.92 1tnn s VAL 62 Cb -0.08 -3.32 0.00 0.00 -1.53 0.00 0.00 36.38 31.45 1tnn s VAL 62 CO 0.18 -0.09 0.00 0.00 -3.33 0.00 0.00 175.10 171.86 1tnn n GLN 63 N -1.00 3.57 -0.70 1.54 1.13 -1.26 -4.69 117.38 115.97 1tnn n GLN 63 Ca 0.10 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 55.03 1tnn n GLN 63 Cb 0.50 0.00 0.07 0.00 0.11 0.00 0.00 30.24 30.92 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 4.40 -2.72 -1.58 0.00 -1.26 -4.15 120.51 112.20 1tnn n ALA 64 Ca 0.00 -1.50 -0.06 0.00 0.00 0.00 0.00 53.44 51.88 1tnn n ALA 64 Cb 0.00 -1.27 0.04 0.00 0.00 0.00 0.00 19.45 18.22 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 -0.08 1.38 0.00 0.00 7.64 -1.26 -4.85 113.62 116.45 1tnn n SER 65 Ca 0.30 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.71 1tnn n SER 65 Cb 0.90 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1tnn n SER 65 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1tnn n ASP 66 N -0.27 0.00 -0.78 6.43 8.00 -1.26 -5.16 116.55 123.52 1tnn n ASP 66 Ca 0.08 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.66 1tnn n ASP 66 Cb 0.81 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.89 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 -1.08 -1.34 0.00 -1.24 0.28 -1.26 -4.87 120.64 111.13 1tnn n GLU 67 Ca 0.00 0.94 0.00 0.00 -0.16 0.00 0.00 57.16 57.94 1tnn n GLU 67 Cb 0.00 -1.75 0.00 0.00 1.43 0.00 0.00 31.44 31.12 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 -2.58 0.50 0.00 -1.84 0.00 -0.86 -4.60 105.19 95.82 1tnn n GLY 68 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.76 0.00 -1.32 1.61 4.13 -1.25 -3.16 115.26 114.50 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 -0.83 -3.63 3.10 4.01 0.60 -4.45 117.16 115.96 1tnn n TYR 70 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.68 1tnn n TYR 70 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 1tnn n TYR 70 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1tnn s SER 71 N -0.61 -0.23 -0.40 7.72 1.04 0.02 -1.66 113.70 119.58 1tnn s SER 71 Ca 0.00 0.40 -0.11 0.00 0.48 0.00 0.00 55.95 56.72 1tnn s SER 71 Cb 0.00 0.39 0.05 0.00 0.10 0.00 0.00 66.02 66.56 1tnn s SER 71 CO 0.00 -0.11 0.25 0.54 0.98 0.00 0.00 173.24 174.90 1tnn s VAL 72 N -0.20 4.56 -0.51 5.02 0.11 0.10 -0.29 120.40 129.19 1tnn s VAL 72 Ca 0.05 -1.06 -0.25 0.00 -2.93 0.00 0.00 61.98 57.79 1tnn s VAL 72 Cb -0.04 -3.65 0.03 0.00 -1.53 0.00 0.00 36.38 31.20 1tnn s VAL 72 CO -0.09 -0.37 0.96 -0.69 -3.33 0.00 0.00 175.10 171.58 1tnn s VAL 73 N 1.53 4.39 -0.25 2.04 1.01 -0.83 -0.99 120.40 127.29 1tnn s VAL 73 Ca 0.02 0.57 -0.05 0.00 0.00 0.00 0.00 61.98 62.52 1tnn s VAL 73 Cb -0.21 -4.51 -0.01 0.00 0.00 0.00 0.00 36.38 31.65 1tnn s VAL 73 CO 0.05 -1.00 0.02 0.68 0.00 0.00 0.00 175.10 174.85 1tnn s VAL 74 N 3.96 3.76 0.46 2.92 -7.23 -0.40 0.78 120.40 124.65 1tnn s VAL 74 Ca 0.35 -0.48 0.07 0.00 -1.81 0.00 0.00 61.98 60.11 1tnn s VAL 74 Cb -0.11 -2.79 0.07 0.00 0.56 0.00 0.00 36.38 34.11 1tnn s VAL 74 CO 0.23 0.30 0.60 -0.62 -0.31 0.00 0.00 175.10 175.30 1tnn n GLU 75 N 4.84 0.71 -4.19 4.82 1.02 -1.26 -0.68 120.64 125.89 1tnn n GLU 75 Ca -0.17 -2.51 -0.13 0.00 -0.02 0.00 0.00 57.16 54.33 1tnn n GLU 75 Cb 0.50 -0.13 -0.09 0.00 -0.02 0.00 0.00 31.44 31.70 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 -3.81 0.44 0.62 1.62 2.47 -0.79 -1.86 114.94 113.64 1tnn s ASN 76 Ca 0.45 -1.42 0.26 0.00 0.42 0.00 0.00 52.86 52.57 1tnn s ASN 76 Cb -0.04 0.45 1.23 0.00 -1.45 0.00 0.00 41.25 41.44 1tnn s ASN 76 CO 0.29 -0.93 1.67 0.77 -3.72 0.00 0.00 177.10 175.17 1tnn h SER 77 N 2.47 0.00 -0.10 -4.21 4.64 -1.90 -2.90 113.55 111.55 1tnn h SER 77 Ca -0.33 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.77 1tnn h SER 77 Cb 1.25 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.16 1tnn h SER 77 CO 0.48 0.00 -0.44 -1.84 -0.87 0.00 0.00 176.83 174.16 1tnn n GLU 78 N -3.30 1.22 -3.74 4.77 0.00 -1.26 -5.13 120.64 113.20 1tnn n GLU 78 Ca 0.09 -1.91 -0.06 0.00 0.00 0.00 0.00 57.16 55.28 1tnn n GLU 78 Cb 0.85 -0.12 0.03 0.00 0.00 0.00 0.00 31.44 32.19 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 -0.67 0.86 3.47 -1.84 0.00 -1.10 -5.18 105.19 100.73 1tnn n GLY 79 Ca -0.04 -1.21 -0.11 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.07 0.61 0.29 1.61 0.00 -1.26 -1.88 119.74 117.03 1tnn s LYS 80 Ca 0.18 0.92 0.03 0.00 0.00 0.00 0.00 55.97 57.11 1tnn s LYS 80 Cb -0.04 0.18 -0.01 0.00 0.00 0.00 0.00 37.83 37.95 1tnn s LYS 80 CO 0.09 -0.12 0.31 1.04 0.00 0.00 0.00 175.35 176.67 1tnn n GLN 81 N 3.64 0.45 -3.58 1.78 1.13 0.14 -4.96 117.38 115.97 1tnn n GLN 81 Ca -0.18 -2.64 -0.06 0.00 -1.94 0.00 0.00 57.00 52.18 1tnn n GLN 81 Cb 0.57 2.31 -0.02 0.00 0.11 0.00 0.00 30.24 33.20 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 0.69 0.19 -1.09 1.03 -1.26 -1.27 118.70 114.04 1tnn s GLU 82 Ca 0.30 -0.29 -0.01 0.00 0.03 0.00 0.00 54.97 55.00 1tnn s GLU 82 Cb 0.01 0.29 -0.04 0.00 -0.80 0.00 0.00 34.13 33.59 1tnn s GLU 82 CO 0.21 -0.31 0.12 0.00 -1.33 0.00 0.00 175.26 173.96 1tnn s ALA 83 N -2.88 1.14 -0.02 -0.84 0.00 -0.17 -4.91 121.76 114.08 1tnn s ALA 83 Ca 0.08 -1.67 -0.12 0.00 0.00 0.00 0.00 51.96 50.25 1tnn s ALA 83 Cb -0.00 1.30 0.02 0.00 0.00 0.00 0.00 23.12 24.43 1tnn s ALA 83 CO -0.06 -0.57 0.25 -1.83 0.00 0.00 0.00 175.76 173.56 1tnn s GLU 84 N -4.14 0.56 0.00 0.00 -1.05 -1.26 -0.72 118.70 112.09 1tnn s GLU 84 Ca 0.37 -0.18 0.00 0.00 -0.15 0.00 0.00 54.97 55.01 1tnn s GLU 84 Cb 0.07 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 34.01 1tnn s GLU 84 CO 0.11 -0.14 0.00 1.97 0.95 0.00 0.00 175.26 178.14 1tnn n PHE 85 N 1.56 -0.63 -3.53 4.83 -1.74 -0.66 -4.87 117.46 112.42 1tnn n PHE 85 Ca -0.21 0.00 -0.06 0.00 -0.56 0.00 0.00 57.45 56.62 1tnn n PHE 85 Cb 0.56 0.00 -0.07 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 -2.98 -0.73 -0.46 1.97 -4.23 -1.26 -0.29 115.64 107.65 1tnn s THR 86 Ca 0.00 0.07 0.04 0.00 -1.18 0.00 0.00 61.69 60.61 1tnn s THR 86 Cb 0.00 -0.79 0.12 0.00 1.34 0.00 0.00 72.50 73.17 1tnn s THR 86 CO 0.00 0.01 0.20 -0.22 -0.54 0.00 0.00 174.62 174.06 1tnn s LEU 87 N 2.67 4.28 0.00 4.79 2.96 -1.19 -1.69 118.68 130.50 1tnn s LEU 87 Ca 0.04 -2.72 -0.09 0.00 -0.22 0.00 0.00 54.13 51.14 1tnn s LEU 87 Cb -0.13 -1.58 0.19 0.00 0.50 0.00 0.00 46.19 45.17 1tnn s LEU 87 CO -0.15 -0.28 1.17 0.41 -1.32 0.00 0.00 176.35 176.18 1tnn n THR 88 N 3.50 0.00 -4.26 3.68 -1.04 -1.10 -2.03 114.28 113.03 1tnn n THR 88 Ca 0.05 -1.23 -0.14 0.00 -2.04 0.00 0.00 64.05 60.69 1tnn n THR 88 Cb 0.35 -1.25 -0.10 0.00 -1.82 0.00 0.00 70.33 67.51 1tnn n THR 88 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1tnn s ILE 89 N -3.52 0.60 -1.03 12.58 -0.00 -1.24 -1.40 121.20 127.19 1tnn s ILE 89 Ca 0.71 -1.98 -0.06 0.00 -0.00 0.00 0.00 60.65 59.31 1tnn s ILE 89 Cb -0.03 -2.28 0.26 0.00 -0.00 0.00 0.00 42.46 40.41 1tnn s ILE 89 CO 0.48 -0.32 0.99 -1.58 -0.00 0.00 0.00 174.94 174.51 1tnn s GLN 90 N -3.96 3.85 0.00 0.37 2.00 -0.72 -4.88 119.66 116.32 1tnn s GLN 90 Ca 0.29 -3.25 0.00 0.00 -2.00 0.00 0.00 55.36 50.40 1tnn s GLN 90 Cb 0.07 -4.33 0.00 0.00 0.80 0.00 0.00 33.01 29.55 1tnn s GLN 90 CO 0.07 -1.25 0.00 1.63 -0.50 0.00 0.00 175.29 175.24