#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 -9.67 -0.12 0.55 2.08 -1.26 -4.86 119.36 106.08 1tnn n ILE 2 Ca 0.00 -0.58 0.06 0.00 0.56 0.00 0.00 62.75 62.79 1tnn n ILE 2 Cb 0.00 -6.68 0.38 0.00 -0.75 0.00 0.00 39.64 32.59 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 -0.06 0.59 -7.03 1.39 4.07 -0.96 -3.43 115.31 109.87 1tnn h LEU 3 Ca -0.21 -0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.70 1tnn h LEU 3 Cb 1.11 -0.13 -0.21 0.00 1.08 0.00 0.00 40.66 42.51 1tnn h LEU 3 CO 0.35 0.39 0.10 -0.89 -1.08 0.00 0.00 178.44 177.31 1tnn s THR 4 N -5.60 0.00 0.02 0.22 2.01 -1.13 -4.91 115.64 106.25 1tnn s THR 4 Ca -0.09 -0.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.90 1tnn s THR 4 Cb 0.19 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 1tnn s THR 4 CO 0.76 -0.00 0.17 -0.54 -0.69 0.00 0.00 174.62 174.32 1tnn s LYS 5 N 0.32 3.34 0.12 4.92 1.02 -1.26 -1.95 119.74 126.25 1tnn s LYS 5 Ca -0.00 -0.42 -0.31 0.00 0.02 0.00 0.00 55.97 55.27 1tnn s LYS 5 Cb -0.05 -3.01 -0.07 0.00 -0.52 0.00 0.00 37.83 34.18 1tnn s LYS 5 CO 0.01 0.64 1.26 -1.25 -0.92 0.00 0.00 175.35 175.10 1tnn s PRO 6 N -2.14 4.41 0.00 -1.68 0.04 -1.26 -4.93 135.00 129.44 1tnn s PRO 6 Ca 0.29 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1tnn s PRO 6 Cb -0.13 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1tnn s PRO 6 CO 0.21 -0.27 0.00 0.54 0.04 0.00 0.00 177.00 177.52 1tnn n ARG 7 N 3.50 1.46 -3.86 4.56 3.00 -1.26 -4.64 116.66 119.42 1tnn n ARG 7 Ca 0.08 0.00 -0.17 0.00 -0.01 0.00 0.00 57.85 57.75 1tnn n ARG 7 Cb 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.84 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 0.00 0.00 0.55 7.64 -1.26 -4.54 113.62 116.01 1tnn n SER 8 Ca 0.00 -2.78 0.00 0.00 1.01 0.00 0.00 58.87 57.10 1tnn n SER 8 Cb 0.00 1.19 0.00 0.00 -1.01 0.00 0.00 64.21 64.39 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 -0.59 -1.62 -3.52 1.43 0.00 -0.75 -4.95 117.12 107.11 1tnn n MET 9 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.50 1tnn n MET 9 Cb 0.49 0.00 -0.14 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 -2.71 -0.21 0.00 3.17 2.01 -1.26 -2.60 115.64 114.03 1tnn s THR 10 Ca 0.00 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 61.63 1tnn s THR 10 Cb 0.00 -0.78 0.00 0.00 0.01 0.00 0.00 72.50 71.73 1tnn s THR 10 CO 0.00 -0.41 0.00 1.33 -0.69 0.00 0.00 174.62 174.85 1tnn n VAL 11 N 5.29 0.00 0.02 3.82 0.24 -0.43 -4.89 118.33 122.37 1tnn n VAL 11 Ca -0.05 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.22 1tnn n VAL 11 Cb 0.47 -0.72 -0.01 0.00 -1.47 0.00 0.00 33.84 32.12 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 -0.68 0.00 -3.15 6.34 4.02 -1.26 -1.72 117.16 120.71 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 -0.11 -0.01 0.00 -0.02 0.00 0.00 39.34 39.20 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 -2.18 0.19 -1.46 -0.72 2.12 -1.26 -3.06 118.70 112.32 1tnn s GLU 13 Ca -0.06 0.24 -0.03 0.00 0.36 0.00 0.00 54.97 55.48 1tnn s GLU 13 Cb 0.01 0.12 0.01 0.00 0.26 0.00 0.00 34.13 34.54 1tnn s GLU 13 CO 0.09 -0.30 0.29 0.41 -0.54 0.00 0.00 175.26 175.20 1tnn n GLY 14 N 5.26 -0.51 0.09 -1.50 0.00 -1.26 -4.83 105.19 102.44 1tnn n GLY 14 Ca 0.03 0.06 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 1tnn n GLY 14 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1tnn n GLU 15 N -3.43 0.64 0.00 1.61 0.00 -1.26 -4.89 120.64 113.30 1tnn n GLU 15 Ca -0.14 0.22 0.00 0.00 0.00 0.00 0.00 57.16 57.23 1tnn n GLU 15 Cb 0.62 -1.75 0.00 0.00 0.00 0.00 0.00 31.44 30.31 1tnn n GLU 15 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1tnn n SER 16 N -2.93 0.00 -2.92 4.31 7.64 -1.26 -5.05 113.62 113.41 1tnn n SER 16 Ca -0.17 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.70 1tnn n SER 16 Cb 0.99 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 64.17 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 -3.00 -1.79 -3.74 -0.43 0.00 -1.26 -4.56 120.51 105.73 1tnn n ALA 17 Ca 0.00 0.72 -0.15 0.00 0.00 0.00 0.00 53.44 54.01 1tnn n ALA 17 Cb 0.00 -1.76 -0.15 0.00 0.00 0.00 0.00 19.45 17.54 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 -0.19 0.04 -0.51 0.00 3.52 -1.26 -2.88 118.95 117.66 1tnn s ARG 18 Ca -0.09 0.34 0.05 0.00 -0.13 0.00 0.00 55.73 55.90 1tnn s ARG 18 Cb 0.01 -0.23 0.18 0.00 -1.56 0.00 0.00 34.95 33.34 1tnn s ARG 18 CO 0.23 -0.19 0.41 1.19 -0.81 0.00 0.00 175.30 176.12 1tnn n PHE 19 N 4.38 0.49 -3.21 5.12 3.01 -0.54 -4.84 117.46 121.88 1tnn n PHE 19 Ca -0.23 -3.65 -0.40 0.00 1.01 0.00 0.00 57.45 54.18 1tnn n PHE 19 Cb 0.51 -0.05 -0.07 0.00 -0.01 0.00 0.00 39.48 39.85 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 -0.53 6.49 0.54 4.37 0.15 -1.26 -1.96 113.70 121.50 1tnn s SER 20 Ca 0.31 0.60 0.05 0.00 0.70 0.00 0.00 55.95 57.61 1tnn s SER 20 Cb 0.02 -2.30 0.05 0.00 -1.71 0.00 0.00 66.02 62.09 1tnn s SER 20 CO -0.18 -0.28 0.43 0.00 1.20 0.00 0.00 173.24 174.40 1tnn s ASP 22 N -4.17 0.33 -0.25 0.00 2.15 -0.82 -1.78 116.67 112.12 1tnn s ASP 22 Ca 0.33 -0.42 -0.18 0.00 0.43 0.00 0.00 52.55 52.70 1tnn s ASP 22 Cb -0.03 0.07 0.07 0.00 -0.30 0.00 0.00 42.92 42.73 1tnn s ASP 22 CO 0.21 -0.22 0.65 0.42 -0.17 0.00 0.00 175.17 176.05 1tnn s THR 23 N -1.17 -0.00 0.60 1.71 -4.23 -0.99 -0.26 115.64 111.30 1tnn s THR 23 Ca -0.12 0.01 -0.03 0.00 -1.18 0.00 0.00 61.69 60.37 1tnn s THR 23 Cb -0.08 -0.92 0.03 0.00 1.34 0.00 0.00 72.50 72.87 1tnn s THR 23 CO -0.01 0.00 0.87 1.51 -0.54 0.00 0.00 174.62 176.46 1tnn s ASP 24 N 1.02 5.23 0.00 3.99 1.47 -1.26 -4.51 116.67 122.60 1tnn s ASP 24 Ca -0.05 0.30 0.00 0.00 1.18 0.00 0.00 52.55 53.98 1tnn s ASP 24 Cb -0.05 -1.16 0.00 0.00 -0.34 0.00 0.00 42.92 41.37 1tnn s ASP 24 CO -0.10 -1.24 0.00 0.61 0.68 0.00 0.00 175.17 175.12 1tnn n GLY 25 N -2.56 1.22 2.86 2.12 0.00 -1.26 -3.89 105.19 103.68 1tnn n GLY 25 Ca 0.07 -0.66 0.03 0.00 0.00 0.00 0.00 46.02 45.46 1tnn n GLY 25 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tnn s GLU 26 N 0.63 0.13 -0.25 1.61 -1.05 -1.26 -4.06 118.70 114.45 1tnn s GLU 26 Ca 0.00 -0.01 -0.20 0.00 -0.15 0.00 0.00 54.97 54.62 1tnn s GLU 26 Cb 0.00 0.02 -0.02 0.00 -0.44 0.00 0.00 34.13 33.69 1tnn s GLU 26 CO 0.00 -0.20 0.60 -1.25 0.95 0.00 0.00 175.26 175.35 1tnn s PRO 27 N 2.25 4.11 0.40 -4.83 0.04 -1.26 -4.87 135.00 130.84 1tnn s PRO 27 Ca 0.19 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.72 1tnn s PRO 27 Cb 0.02 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.92 1tnn s PRO 27 CO -0.17 -0.37 0.00 0.28 0.04 0.00 0.00 177.00 176.78 1tnn n VAL 28 N 5.11 -5.00 -0.25 -0.36 0.31 -1.26 -4.91 118.33 111.97 1tnn n VAL 28 Ca -0.02 2.31 0.00 0.00 -0.01 0.00 0.00 64.34 66.62 1tnn n VAL 28 Cb 0.49 -3.06 0.00 0.00 -0.91 0.00 0.00 33.84 30.36 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 -0.06 0.68 -4.34 5.55 -0.04 -1.25 -4.31 135.00 131.23 1tnn n PRO 29 Ca 0.00 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.28 1tnn n PRO 29 Cb 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.36 1tnn n PRO 29 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1tnn s THR 30 N -0.27 1.27 0.04 0.52 2.01 -0.90 -4.74 115.64 113.57 1tnn s THR 30 Ca 0.00 -2.08 0.02 0.00 0.31 0.00 0.00 61.69 59.94 1tnn s THR 30 Cb 0.00 -2.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.23 1tnn s THR 30 CO 0.00 -0.41 -0.07 0.54 -0.69 0.00 0.00 174.62 173.99 1tnn s VAL 31 N -3.27 0.47 -0.45 3.82 0.11 -1.26 -0.91 120.40 118.92 1tnn s VAL 31 Ca 0.26 -1.14 0.05 0.00 -2.93 0.00 0.00 61.98 58.22 1tnn s VAL 31 Cb 0.04 -0.66 0.18 0.00 -1.53 0.00 0.00 36.38 34.40 1tnn s VAL 31 CO 0.08 -0.46 0.48 -0.89 -3.33 0.00 0.00 175.10 170.97 1tnn s THR 32 N -1.65 -0.14 0.27 5.04 2.01 0.26 -4.90 115.64 116.53 1tnn s THR 32 Ca -0.09 -2.05 -0.30 0.00 0.31 0.00 0.00 61.69 59.56 1tnn s THR 32 Cb -0.08 -0.81 -0.11 0.00 0.01 0.00 0.00 72.50 71.51 1tnn s THR 32 CO -0.01 -0.80 1.54 0.26 -0.69 0.00 0.00 174.62 174.93 1tnn s TRP 33 N 0.36 2.85 -0.27 4.92 0.52 -1.26 -1.88 118.94 124.17 1tnn s TRP 33 Ca 0.32 0.85 -0.29 0.00 0.02 0.00 0.00 56.10 57.00 1tnn s TRP 33 Cb 0.02 -3.99 0.19 0.00 -1.15 0.00 0.00 33.47 28.54 1tnn s TRP 33 CO -0.14 -3.30 1.33 -0.48 0.02 0.00 0.00 176.95 174.38 1tnn s LEU 34 N -0.40 -0.07 -0.34 2.99 2.34 -0.70 -1.96 118.68 120.54 1tnn s LEU 34 Ca 0.62 0.08 -0.07 0.00 0.06 0.00 0.00 54.13 54.82 1tnn s LEU 34 Cb -0.46 1.17 0.20 0.00 -0.56 0.00 0.00 46.19 46.54 1tnn s LEU 34 CO 0.46 -0.06 1.07 -0.60 -1.06 0.00 0.00 176.35 176.16 1tnn s ARG 35 N -0.94 0.21 -1.72 1.48 3.00 -1.26 -2.59 118.95 117.13 1tnn s ARG 35 Ca 0.08 -0.17 0.00 0.00 -1.00 0.00 0.00 55.73 54.64 1tnn s ARG 35 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 34.95 34.94 1tnn s ARG 35 CO -0.08 -0.28 0.00 1.17 0.00 0.00 0.00 175.30 176.12 1tnn n LYS 36 N 3.01 -1.52 -1.91 5.12 0.00 -1.26 -4.75 118.16 116.84 1tnn n LYS 36 Ca 0.09 0.96 0.03 0.00 0.00 0.00 0.00 58.31 59.39 1tnn n LYS 36 Cb 0.64 -5.37 0.03 0.00 0.00 0.00 0.00 35.03 30.33 1tnn n LYS 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1tnn n GLY 37 N -0.48 1.26 5.14 3.14 0.00 -1.26 -5.05 105.19 107.94 1tnn n GLY 37 Ca -0.18 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 0.15 0.00 -3.68 1.61 7.27 -1.26 -4.30 117.38 117.17 1tnn n GLN 38 Ca 0.06 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 57.04 1tnn n GLN 38 Cb 1.04 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.59 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 -0.02 0.08 1.69 -7.23 -1.26 -4.48 120.40 109.17 1tnn s VAL 39 Ca 0.00 0.07 0.33 0.00 -1.81 0.00 0.00 61.98 60.57 1tnn s VAL 39 Cb 0.00 -0.70 0.39 0.00 0.56 0.00 0.00 36.38 36.62 1tnn s VAL 39 CO 0.00 0.03 1.98 -0.07 -0.31 0.00 0.00 175.10 176.73 1tnn h LEU 40 N 7.10 0.00 -8.06 1.32 4.07 -1.58 -3.37 115.31 114.79 1tnn h LEU 40 Ca -0.35 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.52 1tnn h LEU 40 Cb 1.19 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.90 1tnn h LEU 40 CO 0.26 0.00 0.94 -1.54 -1.08 0.00 0.00 178.44 177.02 1tnn n SER 41 N -3.03 -0.68 -3.92 -0.43 3.41 -1.26 -3.42 113.62 104.28 1tnn n SER 41 Ca 0.01 -1.42 -0.25 0.00 -0.26 0.00 0.00 58.87 56.95 1tnn n SER 41 Cb 0.29 -0.96 -0.08 0.00 -0.26 0.00 0.00 64.21 63.21 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 6.28 -0.74 0.00 6.66 -2.24 -1.26 -4.86 114.28 118.12 1tnn n THR 42 Ca 0.32 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1tnn n THR 42 Cb 0.39 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 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 -2.17 0.00 0.00 3.42 7.64 -1.22 -4.86 113.62 116.43 1tnn n SER 43 Ca -0.24 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.64 1tnn n SER 43 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 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 -1.83 0.00 -1.72 -0.43 0.00 -1.26 -4.73 120.51 110.54 1tnn n ALA 44 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1tnn n ALA 44 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1tnn n ALA 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1tnn n ARG 45 N -0.36 0.48 -2.33 0.00 1.74 -1.26 -5.08 116.66 109.84 1tnn n ARG 45 Ca 0.00 -1.67 -0.26 0.00 -0.77 0.00 0.00 57.85 55.15 1tnn n ARG 45 Cb 0.00 -0.83 0.05 0.00 -1.02 0.00 0.00 32.46 30.66 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 -1.06 3.07 -0.46 -1.55 3.76 -1.26 -4.09 115.29 113.71 1tnn s HIS 46 Ca 0.14 0.50 0.09 0.00 -0.15 0.00 0.00 55.06 55.64 1tnn s HIS 46 Cb 0.13 -2.94 0.35 0.00 1.11 0.00 0.00 32.58 31.24 1tnn s HIS 46 CO -0.00 -1.09 0.85 0.94 -0.85 0.00 0.00 174.74 174.58 1tnn n GLN 47 N -2.71 2.00 -0.67 1.40 7.27 -0.32 -4.13 117.38 120.22 1tnn n GLN 47 Ca 0.06 -4.02 -0.29 0.00 0.07 0.00 0.00 57.00 52.82 1tnn n GLN 47 Cb 0.59 -1.92 0.21 0.00 2.41 0.00 0.00 30.24 31.53 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 -3.42 2.11 0.36 1.69 1.01 -1.26 -2.75 120.40 118.14 1tnn s VAL 48 Ca 0.43 0.04 -0.13 0.00 0.00 0.00 0.00 61.98 62.32 1tnn s VAL 48 Cb 0.33 -2.13 0.04 0.00 0.00 0.00 0.00 36.38 34.62 1tnn s VAL 48 CO -0.10 -0.05 0.71 0.42 0.00 0.00 0.00 175.10 176.08 1tnn s THR 49 N -2.58 0.00 0.02 3.92 -4.23 0.24 -4.69 115.64 108.33 1tnn s THR 49 Ca 0.67 -1.14 -0.20 0.00 -1.18 0.00 0.00 61.69 59.84 1tnn s THR 49 Cb -0.23 -2.74 0.04 0.00 1.34 0.00 0.00 72.50 70.91 1tnn s THR 49 CO 0.61 0.00 0.45 -0.89 -0.54 0.00 0.00 174.62 174.25 1tnn s THR 50 N -2.65 0.04 0.35 3.99 2.01 -1.26 -2.02 115.64 116.11 1tnn s THR 50 Ca 0.19 -0.37 0.04 0.00 0.31 0.00 0.00 61.69 61.86 1tnn s THR 50 Cb -0.04 -0.91 -0.02 0.00 0.01 0.00 0.00 72.50 71.55 1tnn s THR 50 CO 0.13 -0.20 0.16 0.41 -0.69 0.00 0.00 174.62 174.43 1tnn n THR 51 N 0.66 0.00 -0.18 -0.82 -1.04 0.10 -4.90 114.28 108.10 1tnn n THR 51 Ca -0.19 -2.15 -0.11 0.00 -2.04 0.00 0.00 64.05 59.57 1tnn n THR 51 Cb 0.59 0.84 -0.08 0.00 -1.82 0.00 0.00 70.33 69.86 1tnn n THR 51 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1tnn h LYS 52 N 0.00 -0.22 0.00 -2.82 1.57 -2.02 -3.26 116.57 109.82 1tnn h LYS 52 Ca -0.27 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1tnn h LYS 52 Cb 1.09 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1tnn h LYS 52 CO 0.42 -0.15 -0.13 0.66 -0.57 0.00 0.00 179.45 179.67 1tnn n TYR 53 N -4.86 0.00 -3.71 -1.35 4.02 -1.26 -4.85 117.16 105.15 1tnn n TYR 53 Ca -0.02 -0.56 -0.11 0.00 -0.01 0.00 0.00 57.90 57.20 1tnn n TYR 53 Cb 0.26 -0.09 -0.11 0.00 -0.02 0.00 0.00 39.34 39.38 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 -1.54 0.38 0.47 -0.72 1.02 -1.23 -2.34 119.74 115.79 1tnn s LYS 54 Ca 0.15 0.69 0.08 0.00 0.02 0.00 0.00 55.97 56.91 1tnn s LYS 54 Cb 0.13 0.03 0.02 0.00 -0.52 0.00 0.00 37.83 37.49 1tnn s LYS 54 CO 0.01 -0.13 0.52 0.45 -0.92 0.00 0.00 175.35 175.29 1tnn s SER 55 N 1.08 5.15 -0.27 2.83 0.15 -0.74 0.01 113.70 121.92 1tnn s SER 55 Ca -0.07 -0.76 -0.08 0.00 0.70 0.00 0.00 55.95 55.73 1tnn s SER 55 Cb -0.07 -0.25 0.12 0.00 -1.71 0.00 0.00 66.02 64.11 1tnn s SER 55 CO -0.09 -0.90 0.57 -0.89 1.20 0.00 0.00 173.24 173.13 1tnn s THR 56 N -2.53 -0.88 -0.27 6.45 2.01 -0.86 -0.76 115.64 118.80 1tnn s THR 56 Ca 0.51 0.05 -0.10 0.00 0.31 0.00 0.00 61.69 62.46 1tnn s THR 56 Cb -0.05 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 1tnn s THR 56 CO 0.31 0.02 0.15 0.12 -0.69 0.00 0.00 174.62 174.53 1tnn s PHE 57 N 2.80 3.18 -0.33 4.92 5.36 -0.83 0.82 117.98 133.90 1tnn s PHE 57 Ca -0.03 -0.05 -0.05 0.00 -0.96 0.00 0.00 56.93 55.84 1tnn s PHE 57 Cb -0.12 -2.34 0.05 0.00 -0.34 0.00 0.00 43.02 40.27 1tnn s PHE 57 CO -0.17 -0.22 0.08 -2.00 -1.46 0.00 0.00 175.22 171.45 1tnn s GLU 58 N 1.71 2.52 -0.88 10.12 -6.30 -1.11 -1.46 118.70 123.30 1tnn s GLU 58 Ca 0.07 -1.25 -0.25 0.00 -2.50 0.00 0.00 54.97 51.04 1tnn s GLU 58 Cb -0.16 -3.39 0.00 0.00 0.00 0.00 0.00 34.13 30.59 1tnn s GLU 58 CO 0.09 -0.68 1.66 0.42 0.02 0.00 0.00 175.26 176.76 1tnn s ILE 59 N 1.34 3.64 0.24 -3.70 1.01 -1.14 -1.17 121.20 121.42 1tnn s ILE 59 Ca -0.02 -0.32 0.08 0.00 0.00 0.00 0.00 60.65 60.39 1tnn s ILE 59 Cb -0.20 -4.50 -0.04 0.00 0.01 0.00 0.00 42.46 37.73 1tnn s ILE 59 CO 0.01 -1.43 0.05 -0.94 0.00 0.00 0.00 174.94 172.63 1tnn s SER 60 N 6.35 4.85 -0.93 3.58 1.04 -1.26 -4.42 113.70 122.91 1tnn s SER 60 Ca 0.56 -0.49 -0.02 0.00 0.48 0.00 0.00 55.95 56.48 1tnn s SER 60 Cb -0.05 -1.03 0.02 0.00 0.10 0.00 0.00 66.02 65.05 1tnn s SER 60 CO 0.01 0.01 0.10 -1.54 0.98 0.00 0.00 173.24 172.80 1tnn n SER 61 N -0.82 -3.38 -4.56 7.02 3.41 -1.26 -4.35 113.62 109.69 1tnn n SER 61 Ca -0.07 0.12 -0.23 0.00 -0.26 0.00 0.00 58.87 58.43 1tnn n SER 61 Cb 0.58 -2.88 -0.06 0.00 -0.26 0.00 0.00 64.21 61.59 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 -2.58 3.21 0.64 -3.33 0.11 -1.26 -4.84 120.40 112.35 1tnn s VAL 62 Ca 0.08 -0.14 0.01 0.00 -2.93 0.00 0.00 61.98 59.01 1tnn s VAL 62 Cb -0.04 -3.49 0.12 0.00 -1.53 0.00 0.00 36.38 31.44 1tnn s VAL 62 CO 0.10 -0.46 0.88 0.00 -3.33 0.00 0.00 175.10 172.29 1tnn n GLN 63 N 8.88 0.04 0.00 1.54 6.02 -1.26 -4.69 117.38 127.91 1tnn n GLN 63 Ca 0.41 -2.47 0.00 0.00 -0.01 0.00 0.00 57.00 54.93 1tnn n GLN 63 Cb 0.46 -0.55 0.00 0.00 1.02 0.00 0.00 30.24 31.17 1tnn n GLN 63 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1tnn n ALA 64 N -2.86 0.00 0.00 -1.58 0.00 -1.26 -4.29 120.51 110.52 1tnn n ALA 64 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1tnn n ALA 64 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 2.50 0.00 -0.79 0.00 3.41 -1.26 -5.04 113.62 112.44 1tnn n SER 65 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.68 1tnn n SER 65 Cb 0.00 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.18 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 0.00 3.41 0.00 4.04 8.00 -1.26 -5.08 116.55 125.66 1tnn n ASP 66 Ca 0.00 -3.15 0.00 0.00 0.71 0.00 0.00 54.79 52.35 1tnn n ASP 66 Cb 0.00 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 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 -0.77 0.00 0.00 -1.24 0.28 -1.26 -4.87 120.64 112.78 1tnn n GLU 67 Ca 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.22 1tnn n GLU 67 Cb 0.87 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.74 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 0.22 0.00 -1.84 0.00 -0.85 -4.09 105.19 98.63 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 -0.73 0.00 -4.38 1.61 4.13 -1.25 -3.26 115.26 111.37 1tnn n ASN 69 Ca 0.00 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 55.94 1tnn n ASN 69 Cb 0.00 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.10 1tnn n ASN 69 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1tnn s TYR 70 N 0.00 2.67 0.48 3.10 2.02 0.12 -4.67 117.35 121.06 1tnn s TYR 70 Ca 0.00 -0.48 0.02 0.00 -0.37 0.00 0.00 57.07 56.24 1tnn s TYR 70 Cb 0.00 -1.69 -0.01 0.00 -0.40 0.00 0.00 41.96 39.85 1tnn s TYR 70 CO 0.00 -0.06 0.04 -1.12 -1.57 0.00 0.00 175.55 172.84 1tnn s SER 71 N -0.20 3.72 -0.18 2.29 0.01 -1.07 -0.80 113.70 117.46 1tnn s SER 71 Ca -0.01 -1.67 -0.05 0.00 1.31 0.00 0.00 55.95 55.54 1tnn s SER 71 Cb -0.13 0.54 0.06 0.00 0.21 0.00 0.00 66.02 66.70 1tnn s SER 71 CO 0.03 -0.89 0.08 0.54 0.41 0.00 0.00 173.24 173.42 1tnn s VAL 72 N -2.98 0.01 -0.49 3.43 0.11 -0.99 -1.72 120.40 117.77 1tnn s VAL 72 Ca 0.11 -0.25 -0.25 0.00 -2.93 0.00 0.00 61.98 58.65 1tnn s VAL 72 Cb 0.02 -0.67 0.03 0.00 -1.53 0.00 0.00 36.38 34.23 1tnn s VAL 72 CO 0.07 -0.29 0.94 -0.69 -3.33 0.00 0.00 175.10 171.79 1tnn s VAL 73 N 2.09 4.43 -0.22 2.04 1.01 -0.79 -1.02 120.40 127.94 1tnn s VAL 73 Ca 0.02 0.61 -0.01 0.00 0.00 0.00 0.00 61.98 62.60 1tnn s VAL 73 Cb -0.16 -4.47 0.02 0.00 0.00 0.00 0.00 36.38 31.76 1tnn s VAL 73 CO -0.10 -0.93 -0.10 0.68 0.00 0.00 0.00 175.10 174.65 1tnn s VAL 74 N 3.85 2.74 0.00 2.92 -7.23 0.24 0.90 120.40 123.82 1tnn s VAL 74 Ca 0.35 -0.88 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 1tnn s VAL 74 Cb -0.11 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.54 1tnn s VAL 74 CO 0.24 0.35 0.00 -0.62 -0.31 0.00 0.00 175.10 174.76 1tnn n GLU 75 N 4.68 -0.18 -3.12 4.82 1.02 -0.09 -0.39 120.64 127.39 1tnn n GLU 75 Ca -0.18 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.79 1tnn n GLU 75 Cb 0.49 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.89 1tnn n GLU 75 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1tnn n ASN 76 N -2.99 0.67 -1.45 1.62 5.15 -0.56 -2.12 115.26 115.58 1tnn n ASN 76 Ca 0.00 -3.02 -0.06 0.00 -0.60 0.00 0.00 54.58 50.89 1tnn n ASN 76 Cb 0.00 -0.45 -0.02 0.00 -0.53 0.00 0.00 39.78 38.78 1tnn n ASN 76 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1tnn n SER 77 N 0.25 -1.78 0.00 1.20 7.64 -1.26 -2.95 113.62 116.72 1tnn n SER 77 Ca 0.22 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.30 1tnn n SER 77 Cb 0.68 -1.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.03 1tnn n SER 77 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1tnn n GLU 78 N -1.67 0.00 -1.66 1.43 2.13 -1.26 -4.96 120.64 114.66 1tnn n GLU 78 Ca -0.06 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.74 1tnn n GLU 78 Cb 0.28 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.99 1tnn n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1tnn n GLY 79 N 0.00 3.14 2.87 8.31 0.00 -1.15 -5.15 105.19 113.20 1tnn n GLY 79 Ca 0.00 -2.18 -0.12 0.00 0.00 0.00 0.00 46.02 43.72 1tnn n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tnn s LYS 80 N -2.11 0.02 0.33 1.61 1.02 -1.26 -1.50 119.74 117.85 1tnn s LYS 80 Ca 0.01 0.00 0.05 0.00 0.02 0.00 0.00 55.97 56.05 1tnn s LYS 80 Cb -0.00 -0.04 -0.02 0.00 -0.52 0.00 0.00 37.83 37.24 1tnn s LYS 80 CO 0.01 -0.01 0.31 -0.65 -0.92 0.00 0.00 175.35 174.10 1tnn s GLN 81 N 0.07 1.76 -0.00 1.68 -1.52 0.48 -4.91 119.66 117.21 1tnn s GLN 81 Ca -0.01 -1.94 -0.29 0.00 -1.95 0.00 0.00 55.36 51.18 1tnn s GLN 81 Cb -0.01 0.35 0.10 0.00 -0.22 0.00 0.00 33.01 33.23 1tnn s GLN 81 CO -0.00 -0.67 0.89 -1.83 -0.25 0.00 0.00 175.29 173.43 1tnn s GLU 82 N -3.40 0.83 0.25 2.91 4.04 -1.26 -0.59 118.70 121.49 1tnn s GLU 82 Ca 0.38 -0.31 0.05 0.00 0.04 0.00 0.00 54.97 55.13 1tnn s GLU 82 Cb 0.02 0.38 -0.02 0.00 0.02 0.00 0.00 34.13 34.53 1tnn s GLU 82 CO 0.25 -0.36 0.17 0.00 -1.84 0.00 0.00 175.26 173.48 1tnn n ALA 83 N -0.25 0.48 -3.57 -0.84 0.00 -0.19 -4.91 120.51 111.23 1tnn n ALA 83 Ca -0.09 -1.41 -0.10 0.00 0.00 0.00 0.00 53.44 51.84 1tnn n ALA 83 Cb 0.62 1.08 -0.05 0.00 0.00 0.00 0.00 19.45 21.10 1tnn n ALA 83 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1tnn s GLU 84 N -3.01 0.64 0.00 0.00 4.04 -1.26 -2.36 118.70 116.75 1tnn s GLU 84 Ca 0.24 0.09 0.00 0.00 0.04 0.00 0.00 54.97 55.34 1tnn s GLU 84 Cb 0.01 0.30 0.00 0.00 0.02 0.00 0.00 34.13 34.46 1tnn s GLU 84 CO 0.17 -0.21 0.00 1.97 -1.84 0.00 0.00 175.26 175.35 1tnn n PHE 85 N 0.60 -0.59 -3.66 4.83 -1.74 0.02 -4.87 117.46 112.05 1tnn n PHE 85 Ca -0.10 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.70 1tnn n PHE 85 Cb 0.58 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.48 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 -2.70 -0.55 -0.53 1.97 -4.23 -1.26 0.12 115.64 108.45 1tnn s THR 86 Ca 0.00 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 1tnn s THR 86 Cb 0.00 -0.65 0.14 0.00 1.34 0.00 0.00 72.50 73.33 1tnn s THR 86 CO 0.00 0.07 0.30 -0.22 -0.54 0.00 0.00 174.62 174.23 1tnn s LEU 87 N 2.44 4.87 0.00 4.79 2.96 -1.20 -1.81 118.68 130.73 1tnn s LEU 87 Ca -0.03 -2.71 -0.11 0.00 -0.22 0.00 0.00 54.13 51.06 1tnn s LEU 87 Cb -0.11 -1.75 0.15 0.00 0.50 0.00 0.00 46.19 44.97 1tnn s LEU 87 CO -0.13 -0.35 0.82 0.41 -1.32 0.00 0.00 176.35 175.78 1tnn n THR 88 N 3.60 0.00 -4.48 3.68 -1.04 -1.07 -2.02 114.28 112.95 1tnn n THR 88 Ca 0.05 -0.57 -0.23 0.00 -2.04 0.00 0.00 64.05 61.26 1tnn n THR 88 Cb 0.37 -1.60 -0.06 0.00 -1.82 0.00 0.00 70.33 67.22 1tnn n THR 88 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1tnn n ILE 89 N -3.31 0.00 -3.15 12.58 -0.00 -1.23 -1.32 119.36 122.93 1tnn n ILE 89 Ca 0.10 -2.04 0.05 0.00 -0.00 0.00 0.00 62.75 60.86 1tnn n ILE 89 Cb 0.37 0.65 -0.01 0.00 -0.00 0.00 0.00 39.64 40.64 1tnn n ILE 89 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.55 174.97 1tnn s GLN 90 N -3.39 0.33 0.00 0.38 2.00 -0.70 -4.78 119.66 113.50 1tnn s GLN 90 Ca 0.13 0.55 0.00 0.00 -2.00 0.00 0.00 55.36 54.04 1tnn s GLN 90 Cb 0.01 0.30 0.00 0.00 0.80 0.00 0.00 33.01 34.12 1tnn s GLN 90 CO 0.09 -0.39 0.25 0.36 -0.50 0.00 0.00 175.29 175.11