#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 -9.32 0.12 0.55 2.08 -1.26 -4.85 119.36 106.68 1tnn n ILE 2 Ca 0.00 0.40 0.02 0.00 0.56 0.00 0.00 62.75 63.73 1tnn n ILE 2 Cb 0.00 -6.38 0.37 0.00 -0.75 0.00 0.00 39.64 32.88 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 1.41 0.21 -7.00 1.39 4.07 -1.14 -3.44 115.31 110.81 1tnn h LEU 3 Ca -0.12 -0.05 -0.00 0.00 0.08 0.00 0.00 57.88 57.78 1tnn h LEU 3 Cb 1.09 -0.06 -0.22 0.00 1.08 0.00 0.00 40.66 42.55 1tnn h LEU 3 CO 0.24 0.41 0.17 -0.89 -1.08 0.00 0.00 178.44 177.29 1tnn s THR 4 N -4.63 0.00 0.07 0.22 2.01 -1.01 -4.89 115.64 107.42 1tnn s THR 4 Ca -0.05 0.00 0.02 0.00 0.31 0.00 0.00 61.69 61.97 1tnn s THR 4 Cb 0.15 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 1tnn s THR 4 CO 0.74 0.00 0.12 -0.54 -0.69 0.00 0.00 174.62 174.24 1tnn s LYS 5 N 0.67 3.06 0.04 4.92 3.01 -1.26 -2.00 119.74 128.18 1tnn s LYS 5 Ca -0.02 -0.60 -0.30 0.00 -1.01 0.00 0.00 55.97 54.04 1tnn s LYS 5 Cb -0.05 -2.83 -0.05 0.00 -1.01 0.00 0.00 37.83 33.89 1tnn s LYS 5 CO -0.05 0.58 1.13 -1.25 0.51 0.00 0.00 175.35 176.28 1tnn s PRO 6 N -2.39 4.47 0.00 -1.68 0.04 -1.26 -4.94 135.00 129.24 1tnn s PRO 6 Ca 0.31 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1tnn s PRO 6 Cb -0.12 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1tnn s PRO 6 CO 0.23 -0.20 0.00 -2.13 0.04 0.00 0.00 177.00 174.95 1tnn n ARG 7 N 3.92 2.44 -3.23 4.56 0.63 -1.26 -4.66 116.66 119.07 1tnn n ARG 7 Ca 0.08 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.90 1tnn n ARG 7 Cb 0.48 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.35 1tnn n ARG 7 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1tnn n SER 8 N 0.00 -0.59 0.00 6.15 7.64 -1.26 -4.42 113.62 121.14 1tnn n SER 8 Ca 0.00 -2.26 0.00 0.00 1.01 0.00 0.00 58.87 57.62 1tnn n SER 8 Cb 0.00 1.22 0.00 0.00 -1.01 0.00 0.00 64.21 64.42 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 -0.37 -1.60 -3.52 1.43 0.00 -0.78 -4.95 117.12 107.33 1tnn n MET 9 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 57.70 57.56 1tnn n MET 9 Cb 0.36 0.00 -0.13 0.00 0.00 0.00 0.00 33.22 33.45 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 -2.86 -0.35 0.51 3.17 2.01 -1.26 -2.67 115.64 114.19 1tnn s THR 10 Ca 0.00 -0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.01 1tnn s THR 10 Cb 0.00 -0.63 0.05 0.00 0.01 0.00 0.00 72.50 71.92 1tnn s THR 10 CO 0.00 -0.14 0.40 1.33 -0.69 0.00 0.00 174.62 175.52 1tnn n VAL 11 N 5.33 0.00 -0.09 3.82 0.24 -0.84 -4.91 118.33 121.88 1tnn n VAL 11 Ca -0.05 -2.01 -0.15 0.00 -2.04 0.00 0.00 64.34 60.09 1tnn n VAL 11 Cb 0.50 -0.09 -0.05 0.00 -1.47 0.00 0.00 33.84 32.73 1tnn n VAL 11 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1tnn n TYR 12 N -1.72 0.00 -3.20 6.34 9.36 -1.26 -2.16 117.16 124.52 1tnn n TYR 12 Ca -0.01 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.25 1tnn n TYR 12 Cb 0.58 -0.59 -0.03 0.00 -0.63 0.00 0.00 39.34 38.67 1tnn n TYR 12 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1tnn s GLU 13 N -2.60 0.12 -1.11 2.98 -6.30 -1.26 -0.83 118.70 109.70 1tnn s GLU 13 Ca -0.27 0.26 0.00 0.00 -2.50 0.00 0.00 54.97 52.45 1tnn s GLU 13 Cb 0.07 0.15 0.00 0.00 0.00 0.00 0.00 34.13 34.35 1tnn s GLU 13 CO 0.38 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.97 1tnn n GLY 14 N 5.15 0.03 0.10 -1.50 0.00 -1.25 -4.78 105.19 102.93 1tnn n GLY 14 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.95 1tnn n GLY 14 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1tnn h GLU 15 N 0.00 0.00 0.00 1.61 4.39 -1.92 -3.45 114.58 115.21 1tnn h GLU 15 Ca -0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1tnn h GLU 15 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1tnn h GLU 15 CO 0.35 0.31 0.00 0.45 -1.16 0.00 0.00 179.01 178.95 1tnn n SER 16 N -2.93 0.00 -2.06 1.42 2.88 -1.26 -5.00 113.62 106.67 1tnn n SER 16 Ca -0.07 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.37 1tnn n SER 16 Cb 0.81 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.25 1tnn n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1tnn n ALA 17 N 0.00 -0.60 -1.77 -1.46 0.00 -1.26 -3.36 120.51 112.06 1tnn n ALA 17 Ca 0.00 0.10 -0.41 0.00 0.00 0.00 0.00 53.44 53.14 1tnn n ALA 17 Cb 0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.22 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 -4.29 4.19 0.03 0.00 3.52 -1.26 -4.12 118.95 117.02 1tnn s ARG 18 Ca 0.00 2.35 -0.02 0.00 -0.13 0.00 0.00 55.73 57.93 1tnn s ARG 18 Cb 0.00 -2.98 -0.02 0.00 -1.56 0.00 0.00 34.95 30.39 1tnn s ARG 18 CO 0.00 -0.38 -0.00 -0.06 -0.81 0.00 0.00 175.30 174.05 1tnn s PHE 19 N -1.15 0.33 -0.29 5.12 0.08 0.43 -4.98 117.98 117.52 1tnn s PHE 19 Ca 0.52 -0.69 -0.15 0.00 0.12 0.00 0.00 56.93 56.73 1tnn s PHE 19 Cb -0.42 -0.24 0.14 0.00 -0.57 0.00 0.00 43.02 41.93 1tnn s PHE 19 CO 0.56 -0.29 0.90 0.45 -0.10 0.00 0.00 175.22 176.75 1tnn s SER 20 N -2.07 -0.65 0.33 1.36 0.15 -1.26 -1.29 113.70 110.27 1tnn s SER 20 Ca -0.06 0.98 0.01 0.00 0.70 0.00 0.00 55.95 57.58 1tnn s SER 20 Cb -0.02 1.47 -0.00 0.00 -1.71 0.00 0.00 66.02 65.75 1tnn s SER 20 CO -0.05 -0.15 0.02 0.00 1.20 0.00 0.00 173.24 174.27 1tnn s ASP 22 N -2.87 0.81 -0.26 0.00 -1.08 -0.85 -1.67 116.67 110.76 1tnn s ASP 22 Ca 0.03 -0.44 -0.19 0.00 -0.52 0.00 0.00 52.55 51.43 1tnn s ASP 22 Cb 0.00 0.01 0.07 0.00 -1.46 0.00 0.00 42.92 41.54 1tnn s ASP 22 CO 0.02 -0.14 0.67 0.42 0.52 0.00 0.00 175.17 176.66 1tnn s THR 23 N -1.09 -0.00 0.62 1.71 -4.23 -0.91 -0.52 115.64 111.22 1tnn s THR 23 Ca -0.07 0.01 -0.05 0.00 -1.18 0.00 0.00 61.69 60.39 1tnn s THR 23 Cb -0.08 -0.95 0.03 0.00 1.34 0.00 0.00 72.50 72.84 1tnn s THR 23 CO 0.00 0.00 0.92 1.51 -0.54 0.00 0.00 174.62 176.52 1tnn s ASP 24 N 0.99 5.32 0.06 3.99 1.47 -1.26 -4.58 116.67 122.65 1tnn s ASP 24 Ca -0.05 0.56 -0.04 0.00 1.18 0.00 0.00 52.55 54.20 1tnn s ASP 24 Cb -0.05 -1.44 0.01 0.00 -0.34 0.00 0.00 42.92 41.10 1tnn s ASP 24 CO -0.09 -1.23 0.20 0.61 0.68 0.00 0.00 175.17 175.33 1tnn n GLY 25 N -2.66 1.39 2.92 2.12 0.00 -1.26 -3.80 105.19 103.91 1tnn n GLY 25 Ca 0.06 -1.00 0.01 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.01 0.47 -0.22 1.61 -1.05 -1.26 -3.70 118.70 112.53 1tnn s GLU 26 Ca 0.04 -0.21 -0.21 0.00 -0.15 0.00 0.00 54.97 54.45 1tnn s GLU 26 Cb -0.01 0.04 -0.02 0.00 -0.44 0.00 0.00 34.13 33.70 1tnn s GLU 26 CO 0.02 -0.66 0.64 -1.25 0.95 0.00 0.00 175.26 174.95 1tnn s PRO 27 N 1.78 4.16 0.48 -4.83 0.04 -1.26 -4.84 135.00 130.53 1tnn s PRO 27 Ca 0.17 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1tnn s PRO 27 Cb 0.01 -3.61 0.00 0.00 0.04 0.00 0.00 34.50 30.94 1tnn s PRO 27 CO -0.11 -0.33 0.00 0.28 0.04 0.00 0.00 177.00 176.88 1tnn n VAL 28 N 4.94 -5.22 -1.32 -0.36 0.31 -1.24 -4.91 118.33 110.52 1tnn n VAL 28 Ca -0.01 2.40 -0.08 0.00 -0.01 0.00 0.00 64.34 66.64 1tnn n VAL 28 Cb 0.49 -3.25 0.06 0.00 -0.91 0.00 0.00 33.84 30.23 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 -0.50 -0.33 -4.41 5.55 -0.04 -1.25 -4.34 135.00 129.68 1tnn n PRO 29 Ca 0.00 -0.60 -0.22 0.00 -0.04 0.00 0.00 63.50 62.64 1tnn n PRO 29 Cb 0.00 -0.38 -0.10 0.00 -0.04 0.00 0.00 33.50 32.97 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 -1.77 2.17 0.01 0.52 2.01 -0.86 -4.82 115.64 112.90 1tnn s THR 30 Ca 0.22 -2.27 -0.01 0.00 0.31 0.00 0.00 61.69 59.94 1tnn s THR 30 Cb -0.01 -2.16 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 1tnn s THR 30 CO 0.15 -0.43 -0.00 0.54 -0.69 0.00 0.00 174.62 174.19 1tnn s VAL 31 N -2.55 0.06 -0.37 3.82 0.11 -1.26 -0.55 120.40 119.65 1tnn s VAL 31 Ca 0.25 -0.46 0.02 0.00 -2.93 0.00 0.00 61.98 58.86 1tnn s VAL 31 Cb -0.04 -0.16 0.15 0.00 -1.53 0.00 0.00 36.38 34.81 1tnn s VAL 31 CO 0.11 -0.25 0.32 -0.89 -3.33 0.00 0.00 175.10 171.05 1tnn s THR 32 N -0.75 -0.07 0.32 5.04 2.01 0.13 -4.96 115.64 117.36 1tnn s THR 32 Ca -0.08 -1.52 -0.29 0.00 0.31 0.00 0.00 61.69 60.11 1tnn s THR 32 Cb -0.05 -0.90 -0.10 0.00 0.01 0.00 0.00 72.50 71.45 1tnn s THR 32 CO -0.00 -0.82 1.42 0.26 -0.69 0.00 0.00 174.62 174.78 1tnn s TRP 33 N 1.07 2.89 0.00 4.92 0.52 -1.26 -2.54 118.94 124.53 1tnn s TRP 33 Ca 0.20 1.19 0.00 0.00 0.02 0.00 0.00 56.10 57.51 1tnn s TRP 33 Cb -0.15 -3.84 0.00 0.00 -1.15 0.00 0.00 33.47 28.32 1tnn s TRP 33 CO -0.03 -2.53 0.00 1.47 0.02 0.00 0.00 176.95 175.88 1tnn n LEU 34 N 1.23 0.00 0.00 2.99 -0.00 -0.67 -3.90 117.00 116.65 1tnn n LEU 34 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 1tnn n LEU 34 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.82 1tnn n LEU 34 CO 0.61 0.00 0.00 -1.14 -0.00 0.00 0.00 177.39 176.86 1tnn n ARG 35 N -0.04 0.00 -1.68 1.47 0.00 -1.26 -2.31 116.66 112.84 1tnn n ARG 35 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.70 1tnn n ARG 35 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 1tnn n ARG 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1tnn n LYS 36 N 0.00 -1.52 -1.15 -0.14 4.81 -1.26 -4.75 118.16 114.15 1tnn n LYS 36 Ca 0.00 0.82 0.01 0.00 -0.87 0.00 0.00 58.31 58.27 1tnn n LYS 36 Cb 0.00 -5.18 0.13 0.00 0.02 0.00 0.00 35.03 30.00 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 -0.42 4.15 3.15 3.14 0.00 -1.26 -4.85 105.19 109.09 1tnn n GLY 37 Ca -0.15 -1.38 -0.14 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.65 -2.67 -4.52 1.61 7.27 -1.26 -3.03 117.38 114.13 1tnn n GLN 38 Ca 0.19 0.81 -0.42 0.00 0.07 0.00 0.00 57.00 57.65 1tnn n GLN 38 Cb 0.84 -5.56 -0.08 0.00 2.41 0.00 0.00 30.24 27.86 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 -3.23 -0.14 -2.21 1.69 0.24 -1.26 -1.21 118.33 112.22 1tnn n VAL 39 Ca -0.09 -0.05 -0.03 0.00 -2.04 0.00 0.00 64.34 62.13 1tnn n VAL 39 Cb 0.62 -0.58 -0.00 0.00 -1.47 0.00 0.00 33.84 32.40 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 -4.12 -0.23 0.00 1.34 4.32 -1.17 -4.47 117.00 112.66 1tnn n LEU 40 Ca 0.07 0.36 0.00 0.00 -0.02 0.00 0.00 56.01 56.42 1tnn n LEU 40 Cb 0.48 -1.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.13 1tnn n LEU 40 CO 0.95 -0.05 0.00 -1.20 -1.22 0.00 0.00 177.39 175.88 1tnn n SER 41 N -1.12 0.00 0.00 -1.43 7.64 -0.35 -4.60 113.62 113.76 1tnn n SER 41 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1tnn n SER 41 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1tnn n SER 41 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1tnn n THR 42 N 0.00 0.00 0.00 0.44 -2.24 -1.26 -4.78 114.28 106.44 1tnn n THR 42 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1tnn n THR 42 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.68 0.00 0.21 3.42 7.64 0.40 -2.40 113.62 122.20 1tnn n SER 43 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 1tnn n SER 43 Cb 0.00 0.00 0.45 0.00 -1.01 0.00 0.00 64.21 63.65 1tnn n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tnn h ALA 44 N 0.00 1.58 0.00 -0.43 0.00 -1.98 -3.33 119.26 115.10 1tnn h ALA 44 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1tnn h ALA 44 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1tnn h ALA 44 CO 0.00 0.31 -0.12 0.54 0.00 0.00 0.00 179.25 179.98 1tnn n ARG 45 N -4.24 3.01 -3.90 0.00 1.74 -1.26 -5.08 116.66 106.93 1tnn n ARG 45 Ca -0.02 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.96 1tnn n ARG 45 Cb 0.30 -0.35 -0.09 0.00 -1.02 0.00 0.00 32.46 31.31 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 -0.51 0.16 -0.83 -1.55 3.76 -1.25 -4.22 115.29 110.85 1tnn s HIS 46 Ca 0.00 -0.46 -0.02 0.00 -0.15 0.00 0.00 55.06 54.43 1tnn s HIS 46 Cb 0.00 -0.11 0.31 0.00 1.11 0.00 0.00 32.58 33.89 1tnn s HIS 46 CO 0.00 -0.40 2.10 0.94 -0.85 0.00 0.00 174.74 176.53 1tnn n GLN 47 N 0.64 3.02 -1.25 1.40 7.27 -0.51 -0.45 117.38 127.50 1tnn n GLN 47 Ca -0.18 -3.50 -0.31 0.00 0.07 0.00 0.00 57.00 53.08 1tnn n GLN 47 Cb 0.59 -2.28 0.10 0.00 2.41 0.00 0.00 30.24 31.06 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 -4.61 3.20 0.06 1.69 1.01 -1.01 -2.84 120.40 117.90 1tnn s VAL 48 Ca 0.52 0.39 -0.26 0.00 0.00 0.00 0.00 61.98 62.62 1tnn s VAL 48 Cb 0.40 -2.88 0.09 0.00 0.00 0.00 0.00 36.38 34.00 1tnn s VAL 48 CO -0.36 -0.51 1.18 0.28 0.00 0.00 0.00 175.10 175.69 1tnn s THR 49 N -2.91 0.00 -0.08 3.92 -1.32 0.13 -4.85 115.64 110.53 1tnn s THR 49 Ca 0.62 -0.35 -0.15 0.00 -1.21 0.00 0.00 61.69 60.60 1tnn s THR 49 Cb -0.17 -2.69 0.03 0.00 -1.51 0.00 0.00 72.50 68.16 1tnn s THR 49 CO 0.56 0.00 0.37 -0.89 -2.21 0.00 0.00 174.62 172.45 1tnn s THR 50 N -2.23 0.03 0.44 5.08 2.01 -1.26 -1.93 115.64 117.78 1tnn s THR 50 Ca 0.23 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.02 1tnn s THR 50 Cb -0.00 -0.59 -0.00 0.00 0.01 0.00 0.00 72.50 71.91 1tnn s THR 50 CO 0.01 -0.12 0.03 0.41 -0.69 0.00 0.00 174.62 174.26 1tnn n THR 51 N 2.06 0.00 -0.17 -0.82 -1.04 0.19 -4.92 114.28 109.57 1tnn n THR 51 Ca -0.17 -2.17 -0.10 0.00 -2.04 0.00 0.00 64.05 59.57 1tnn n THR 51 Cb 0.57 0.50 -0.08 0.00 -1.82 0.00 0.00 70.33 69.50 1tnn n THR 51 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1tnn h LYS 52 N 0.00 -0.21 0.00 -2.82 3.11 -2.00 -3.25 116.57 111.39 1tnn h LYS 52 Ca -0.36 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.49 1tnn h LYS 52 Cb 1.14 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.42 1tnn h LYS 52 CO 0.60 -0.14 -0.10 0.66 -2.81 0.00 0.00 179.45 177.65 1tnn n TYR 53 N -4.78 0.00 -3.67 1.91 4.02 -1.26 -4.65 117.16 108.73 1tnn n TYR 53 Ca -0.01 -0.57 -0.10 0.00 -0.01 0.00 0.00 57.90 57.21 1tnn n TYR 53 Cb 0.25 -0.09 -0.11 0.00 -0.02 0.00 0.00 39.34 39.37 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 -1.53 0.29 0.50 -0.72 1.02 -1.23 -2.15 119.74 115.93 1tnn s LYS 54 Ca 0.14 0.90 0.06 0.00 0.02 0.00 0.00 55.97 57.09 1tnn s LYS 54 Cb 0.13 0.15 0.06 0.00 -0.52 0.00 0.00 37.83 37.65 1tnn s LYS 54 CO 0.01 -0.23 0.53 0.45 -0.92 0.00 0.00 175.35 175.19 1tnn n SER 55 N 5.08 2.25 -3.64 2.83 2.88 -0.67 -0.64 113.62 121.72 1tnn n SER 55 Ca -0.12 -2.54 -0.02 0.00 -1.33 0.00 0.00 58.87 54.86 1tnn n SER 55 Cb 0.51 -0.19 -0.04 0.00 -0.75 0.00 0.00 64.21 63.73 1tnn n SER 55 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1tnn s THR 56 N -2.33 0.00 -0.02 2.46 -1.32 -0.81 -1.08 115.64 112.54 1tnn s THR 56 Ca 0.40 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.89 1tnn s THR 56 Cb -0.03 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.98 1tnn s THR 56 CO 0.25 0.00 -0.02 0.12 -2.21 0.00 0.00 174.62 172.76 1tnn s PHE 57 N -1.04 0.42 0.24 9.09 5.36 -0.41 0.21 117.98 131.85 1tnn s PHE 57 Ca 0.08 -0.06 0.08 0.00 -0.96 0.00 0.00 56.93 56.07 1tnn s PHE 57 Cb -0.01 -0.41 -0.05 0.00 -0.34 0.00 0.00 43.02 42.21 1tnn s PHE 57 CO -0.07 -0.11 -0.14 -2.00 -1.46 0.00 0.00 175.22 171.45 1tnn s GLU 58 N 0.68 1.46 -0.32 10.12 -6.30 -1.13 -0.43 118.70 122.79 1tnn s GLU 58 Ca -0.07 -1.68 -0.00 0.00 -2.50 0.00 0.00 54.97 50.72 1tnn s GLU 58 Cb -0.11 -1.28 0.10 0.00 0.00 0.00 0.00 34.13 32.85 1tnn s GLU 58 CO -0.01 0.18 0.10 0.42 0.02 0.00 0.00 175.26 175.97 1tnn s ILE 59 N -2.88 1.07 -0.22 -3.70 1.01 -1.21 -1.42 121.20 113.85 1tnn s ILE 59 Ca 0.26 -1.56 0.15 0.00 0.00 0.00 0.00 60.65 59.50 1tnn s ILE 59 Cb -0.01 -1.81 0.69 0.00 0.01 0.00 0.00 42.46 41.35 1tnn s ILE 59 CO 0.10 -0.67 1.61 -0.24 0.00 0.00 0.00 174.94 175.74 1tnn n SER 60 N 4.73 4.86 -2.53 3.58 2.88 -1.26 -3.92 113.62 121.96 1tnn n SER 60 Ca -0.01 -3.01 -0.03 0.00 -1.33 0.00 0.00 58.87 54.49 1tnn n SER 60 Cb 0.42 -0.63 -0.03 0.00 -0.75 0.00 0.00 64.21 63.22 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 0.06 -0.94 -4.52 -3.46 2.88 -1.26 -4.70 113.62 101.68 1tnn n SER 61 Ca 0.26 -1.49 -0.48 0.00 -1.33 0.00 0.00 58.87 55.83 1tnn n SER 61 Cb 1.08 0.90 -0.03 0.00 -0.75 0.00 0.00 64.21 65.41 1tnn n SER 61 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1tnn n VAL 62 N -0.46 1.59 -1.74 2.46 3.14 -1.26 -4.81 118.33 117.25 1tnn n VAL 62 Ca -0.27 -0.40 0.00 0.00 -2.96 0.00 0.00 64.34 60.71 1tnn n VAL 62 Cb 0.61 -0.56 0.00 0.00 -1.06 0.00 0.00 33.84 32.84 1tnn n VAL 62 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1tnn n GLN 63 N 1.12 3.91 -0.37 1.45 1.13 -1.26 -4.90 117.38 118.46 1tnn n GLN 63 Ca 0.14 0.00 0.30 0.00 -1.94 0.00 0.00 57.00 55.50 1tnn n GLN 63 Cb 0.26 0.00 0.56 0.00 0.11 0.00 0.00 30.24 31.17 1tnn n GLN 63 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1tnn h ALA 64 N 0.81 2.31 -3.56 -1.58 0.00 -1.98 -3.40 119.26 111.86 1tnn h ALA 64 Ca 0.00 0.16 -0.36 0.00 0.00 0.00 0.00 54.91 54.71 1tnn h ALA 64 Cb 0.00 0.19 0.16 0.00 0.00 0.00 0.00 17.79 18.14 1tnn h ALA 64 CO 0.00 -0.94 0.24 -1.13 0.00 0.00 0.00 179.25 177.42 1tnn n SER 65 N -4.90 -0.91 -1.21 0.00 3.41 -1.26 -4.88 113.62 103.87 1tnn n SER 65 Ca 0.34 -1.26 -0.00 0.00 -0.26 0.00 0.00 58.87 57.69 1tnn n SER 65 Cb 1.19 -0.88 -0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1tnn n SER 65 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1tnn n ASP 66 N -4.18 -2.59 0.00 4.04 -0.08 -1.26 -4.99 116.55 107.49 1tnn n ASP 66 Ca 0.14 0.17 0.00 0.00 -1.51 0.00 0.00 54.79 53.59 1tnn n ASP 66 Cb 0.51 -1.41 0.00 0.00 2.34 0.00 0.00 41.12 42.56 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 0.17 0.25 0.00 -0.67 0.28 -1.25 -4.59 120.64 114.84 1tnn n GLU 67 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 1tnn n GLU 67 Cb 0.01 -0.02 0.00 0.00 1.43 0.00 0.00 31.44 32.86 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 -0.26 3.02 -1.84 0.00 -0.24 -4.46 105.19 101.41 1tnn n GLY 68 Ca 0.00 -0.19 -0.55 0.00 0.00 0.00 0.00 46.02 45.28 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 0.82 -3.98 1.61 0.23 -1.26 -0.11 115.26 112.57 1tnn n ASN 69 Ca 0.00 0.78 -0.25 0.00 -0.53 0.00 0.00 54.58 54.59 1tnn n ASN 69 Cb 0.00 -0.78 -0.17 0.00 -2.08 0.00 0.00 39.78 36.75 1tnn n ASN 69 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 1tnn s TYR 70 N 4.15 1.38 0.33 -2.53 1.51 -0.52 -4.70 117.35 116.97 1tnn s TYR 70 Ca 0.99 -0.54 0.02 0.00 -1.01 0.00 0.00 57.07 56.54 1tnn s TYR 70 Cb -1.31 -1.06 -0.01 0.00 -0.11 0.00 0.00 41.96 39.47 1tnn s TYR 70 CO 0.63 -0.32 0.09 0.43 -1.11 0.00 0.00 175.55 175.28 1tnn n SER 71 N 4.07 1.60 -3.55 2.29 7.64 -0.98 -1.50 113.62 123.19 1tnn n SER 71 Ca -0.21 -2.68 -0.24 0.00 1.01 0.00 0.00 58.87 56.75 1tnn n SER 71 Cb 0.51 0.68 -0.15 0.00 -1.01 0.00 0.00 64.21 64.24 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 -2.65 -0.18 -0.41 0.44 0.11 -0.56 -1.67 120.40 115.48 1tnn s VAL 72 Ca 0.12 -0.25 -0.23 0.00 -2.93 0.00 0.00 61.98 58.69 1tnn s VAL 72 Cb 0.01 -0.68 0.02 0.00 -1.53 0.00 0.00 36.38 34.19 1tnn s VAL 72 CO 0.09 -0.33 0.80 0.68 -3.33 0.00 0.00 175.10 173.01 1tnn s VAL 73 N 2.20 4.67 -0.28 2.04 -7.23 -1.05 -1.57 120.40 119.19 1tnn s VAL 73 Ca 0.05 0.67 -0.04 0.00 -1.81 0.00 0.00 61.98 60.85 1tnn s VAL 73 Cb -0.16 -4.28 0.02 0.00 0.56 0.00 0.00 36.38 32.52 1tnn s VAL 73 CO -0.15 -0.59 0.02 -0.69 -0.31 0.00 0.00 175.10 173.38 1tnn s VAL 74 N 3.24 3.45 0.09 1.32 1.01 -0.56 -0.69 120.40 128.26 1tnn s VAL 74 Ca 0.31 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1tnn s VAL 74 Cb -0.12 -2.80 0.02 0.00 0.00 0.00 0.00 36.38 33.48 1tnn s VAL 74 CO 0.20 0.09 0.11 -0.62 0.00 0.00 0.00 175.10 174.89 1tnn n GLU 75 N 4.77 -0.26 -3.03 2.72 1.02 0.29 -1.06 120.64 125.09 1tnn n GLU 75 Ca -0.15 -0.18 -0.15 0.00 -0.02 0.00 0.00 57.16 56.66 1tnn n GLU 75 Cb 0.47 -0.12 0.00 0.00 -0.02 0.00 0.00 31.44 31.77 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 -3.09 0.40 -1.55 1.62 5.15 -0.65 -2.03 115.26 115.12 1tnn n ASN 76 Ca 0.01 -3.04 -0.06 0.00 -0.60 0.00 0.00 54.58 50.89 1tnn n ASN 76 Cb 0.05 -0.20 -0.02 0.00 -0.53 0.00 0.00 39.78 39.08 1tnn n ASN 76 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1tnn n SER 77 N 0.21 -1.88 0.00 1.20 3.41 -1.26 -2.91 113.62 112.39 1tnn n SER 77 Ca 0.19 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1tnn n SER 77 Cb 0.70 -1.91 0.00 0.00 -0.26 0.00 0.00 64.21 62.74 1tnn n SER 77 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1tnn n GLU 78 N -1.77 0.00 -2.09 4.33 2.13 -1.26 -4.97 120.64 117.01 1tnn n GLU 78 Ca -0.07 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.68 1tnn n GLU 78 Cb 0.31 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.02 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 2.73 3.17 8.31 0.00 -1.14 -5.14 105.19 113.11 1tnn n GLY 79 Ca 0.00 -2.20 -0.11 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.73 0.30 0.16 1.61 2.20 -1.26 -1.64 119.74 118.39 1tnn s LYS 80 Ca 0.12 0.69 0.03 0.00 -0.36 0.00 0.00 55.97 56.45 1tnn s LYS 80 Cb -0.01 -0.05 -0.01 0.00 -1.51 0.00 0.00 37.83 36.25 1tnn s LYS 80 CO 0.07 -0.17 0.10 1.04 -0.36 0.00 0.00 175.35 176.04 1tnn n GLN 81 N 4.34 0.43 -3.63 4.03 3.00 -0.22 -4.93 117.38 120.41 1tnn n GLN 81 Ca -0.23 -1.52 -0.07 0.00 -0.01 0.00 0.00 57.00 55.17 1tnn n GLN 81 Cb 0.54 1.07 -0.06 0.00 0.00 0.00 0.00 30.24 31.79 1tnn n GLN 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 1tnn s GLU 82 N -2.65 0.34 -0.25 -1.09 4.04 -1.26 -1.50 118.70 116.34 1tnn s GLU 82 Ca 0.14 0.26 0.00 0.00 0.04 0.00 0.00 54.97 55.41 1tnn s GLU 82 Cb 0.01 0.16 0.07 0.00 0.02 0.00 0.00 34.13 34.39 1tnn s GLU 82 CO 0.10 -0.07 -0.01 0.00 -1.84 0.00 0.00 175.26 173.45 1tnn s ALA 83 N -0.33 1.78 -0.00 -0.84 0.00 -0.61 -4.95 121.76 116.81 1tnn s ALA 83 Ca 0.04 -1.36 -0.04 0.00 0.00 0.00 0.00 51.96 50.60 1tnn s ALA 83 Cb -0.03 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 1tnn s ALA 83 CO -0.07 -1.30 0.21 -1.21 0.00 0.00 0.00 175.76 173.39 1tnn s GLU 84 N 1.48 3.49 0.00 0.00 0.41 -1.26 -1.50 118.70 121.32 1tnn s GLU 84 Ca -0.01 -0.23 0.00 0.00 -0.41 0.00 0.00 54.97 54.31 1tnn s GLU 84 Cb -0.18 -3.09 0.00 0.00 -1.78 0.00 0.00 34.13 29.08 1tnn s GLU 84 CO -0.09 0.66 0.00 1.97 -0.49 0.00 0.00 175.26 177.31 1tnn n PHE 85 N 1.01 0.00 -3.23 1.61 -1.74 -0.56 -4.97 117.46 109.57 1tnn n PHE 85 Ca -0.11 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 56.77 1tnn n PHE 85 Cb 0.53 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.49 1tnn n PHE 85 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 1tnn s THR 86 N -0.66 -0.83 -0.29 1.97 -1.32 -1.26 -1.44 115.64 111.80 1tnn s THR 86 Ca 0.00 -0.04 -0.03 0.00 -1.21 0.00 0.00 61.69 60.41 1tnn s THR 86 Cb 0.00 -0.93 0.04 0.00 -1.51 0.00 0.00 72.50 70.10 1tnn s THR 86 CO 0.00 -0.06 0.01 -0.22 -2.21 0.00 0.00 174.62 172.15 1tnn s LEU 87 N 2.73 3.80 0.65 9.08 2.96 0.85 -1.87 118.68 136.87 1tnn s LEU 87 Ca 0.17 -1.08 0.03 0.00 -0.22 0.00 0.00 54.13 53.03 1tnn s LEU 87 Cb -0.15 -1.75 0.10 0.00 0.50 0.00 0.00 46.19 44.89 1tnn s LEU 87 CO -0.20 -0.23 0.89 0.42 -1.32 0.00 0.00 176.35 175.91 1tnn s THR 88 N 1.33 2.23 0.00 3.68 -4.23 -1.09 -1.08 115.64 116.48 1tnn s THR 88 Ca -0.02 -0.74 -0.11 0.00 -1.18 0.00 0.00 61.69 59.64 1tnn s THR 88 Cb -0.19 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.18 1tnn s THR 88 CO -0.01 0.00 0.22 0.27 -0.54 0.00 0.00 174.62 174.56 1tnn s ILE 89 N -2.93 0.08 -0.72 2.99 -5.25 -1.25 -1.98 121.20 112.13 1tnn s ILE 89 Ca 0.64 -0.63 0.04 0.00 -0.99 0.00 0.00 60.65 59.71 1tnn s ILE 89 Cb -0.06 -0.58 0.17 0.00 2.95 0.00 0.00 42.46 44.94 1tnn s ILE 89 CO 0.42 -0.34 0.52 -1.58 -1.79 0.00 0.00 174.94 172.17 1tnn s GLN 90 N -1.53 2.55 0.00 0.37 -0.44 -0.01 -4.92 119.66 115.68 1tnn s GLN 90 Ca -0.13 -3.33 0.00 0.00 -2.50 0.00 0.00 55.36 49.40 1tnn s GLN 90 Cb -0.06 -3.49 0.00 0.00 -1.64 0.00 0.00 33.01 27.83 1tnn s GLN 90 CO 0.02 -1.28 0.22 1.63 0.50 0.00 0.00 175.29 176.38