#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 -9.60 -0.16 0.55 2.08 -1.26 -4.86 119.36 106.12 1tnn n ILE 2 Ca 0.00 1.05 -0.04 0.00 0.56 0.00 0.00 62.75 64.33 1tnn n ILE 2 Cb 0.00 -6.28 0.17 0.00 -0.75 0.00 0.00 39.64 32.77 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 2.50 0.83 -7.04 1.39 4.07 -1.24 -3.45 115.31 112.37 1tnn h LEU 3 Ca -0.08 -0.15 -0.05 0.00 0.08 0.00 0.00 57.88 57.68 1tnn h LEU 3 Cb 0.75 -0.22 -0.21 0.00 1.08 0.00 0.00 40.66 42.06 1tnn h LEU 3 CO 0.15 0.81 0.08 -0.89 -1.08 0.00 0.00 178.44 177.52 1tnn s THR 4 N -5.25 0.00 0.12 0.22 2.01 -1.08 -4.90 115.64 106.76 1tnn s THR 4 Ca -0.10 -0.00 0.04 0.00 0.31 0.00 0.00 61.69 61.94 1tnn s THR 4 Cb 0.15 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 1tnn s THR 4 CO 0.81 -0.00 0.08 -0.54 -0.69 0.00 0.00 174.62 174.27 1tnn s LYS 5 N 0.26 2.78 -0.06 4.92 3.01 -1.26 -2.01 119.74 127.38 1tnn s LYS 5 Ca -0.01 -0.82 -0.30 0.00 -1.01 0.00 0.00 55.97 53.84 1tnn s LYS 5 Cb -0.04 -2.63 -0.02 0.00 -1.01 0.00 0.00 37.83 34.12 1tnn s LYS 5 CO 0.01 0.52 1.04 -1.25 0.51 0.00 0.00 175.35 176.18 1tnn s PRO 6 N -2.68 4.45 0.00 -1.68 0.04 -1.26 -4.88 135.00 128.99 1tnn s PRO 6 Ca 0.29 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1tnn s PRO 6 Cb -0.11 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 30.92 1tnn s PRO 6 CO 0.21 -0.25 0.00 -2.13 0.04 0.00 0.00 177.00 174.87 1tnn n ARG 7 N 4.64 1.80 -2.76 4.56 3.00 -1.26 -4.61 116.66 122.03 1tnn n ARG 7 Ca 0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.86 1tnn n ARG 7 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.92 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 -0.02 0.00 6.15 7.64 -1.26 -4.50 113.62 121.64 1tnn n SER 8 Ca 0.00 -1.73 0.00 0.00 1.01 0.00 0.00 58.87 58.15 1tnn n SER 8 Cb 0.00 0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 -0.23 -1.49 -3.41 1.43 0.00 -0.76 -4.95 117.12 107.70 1tnn n MET 9 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 57.70 57.59 1tnn n MET 9 Cb 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.32 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 -2.91 -0.48 0.20 3.17 2.01 -1.26 -2.56 115.64 113.81 1tnn s THR 10 Ca 0.00 -0.10 0.03 0.00 0.31 0.00 0.00 61.69 61.93 1tnn s THR 10 Cb 0.00 -0.76 0.03 0.00 0.01 0.00 0.00 72.50 71.78 1tnn s THR 10 CO 0.00 -0.16 0.22 1.33 -0.69 0.00 0.00 174.62 175.31 1tnn n VAL 11 N 5.34 0.00 -0.05 3.82 0.24 -0.46 -4.88 118.33 122.34 1tnn n VAL 11 Ca -0.04 -0.74 -0.07 0.00 -2.04 0.00 0.00 64.34 61.44 1tnn n VAL 11 Cb 0.50 -0.57 -0.02 0.00 -1.47 0.00 0.00 33.84 32.27 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 -1.20 0.00 -3.30 6.34 4.02 -1.26 -2.09 117.16 119.66 1tnn n TYR 12 Ca 0.02 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.94 1tnn n TYR 12 Cb 0.22 -0.37 -0.04 0.00 -0.02 0.00 0.00 39.34 39.13 1tnn n TYR 12 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 1tnn s GLU 13 N -2.60 0.18 -1.88 -0.72 -1.05 -1.26 -1.51 118.70 109.85 1tnn s GLU 13 Ca -0.20 0.45 0.00 0.00 -0.15 0.00 0.00 54.97 55.06 1tnn s GLU 13 Cb 0.03 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 1tnn s GLU 13 CO 0.30 -0.06 0.00 0.41 0.95 0.00 0.00 175.26 176.85 1tnn n GLY 14 N 4.80 1.69 0.00 -3.83 0.00 -1.26 -4.94 105.19 101.65 1tnn n GLY 14 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.89 2.24 0.00 1.61 0.00 -1.26 -4.51 120.64 116.83 1tnn n GLU 15 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.98 1tnn n GLU 15 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.09 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 0.00 0.00 -2.71 4.31 7.64 -1.26 -4.14 113.62 117.46 1tnn n SER 16 Ca 0.00 0.18 -0.04 0.00 1.01 0.00 0.00 58.87 60.02 1tnn n SER 16 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 -1.28 -2.93 -2.72 -0.43 0.00 -1.26 -4.01 120.51 107.88 1tnn n ALA 17 Ca 0.00 1.75 -0.17 0.00 0.00 0.00 0.00 53.44 55.02 1tnn n ALA 17 Cb 0.00 -3.58 -0.14 0.00 0.00 0.00 0.00 19.45 15.73 1tnn n ALA 17 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1tnn s ARG 18 N -0.48 0.59 -0.42 0.00 0.52 -1.26 -1.26 118.95 116.63 1tnn s ARG 18 Ca -0.21 -0.31 0.05 0.00 -0.52 0.00 0.00 55.73 54.75 1tnn s ARG 18 Cb 0.01 -0.56 0.19 0.00 0.52 0.00 0.00 34.95 35.12 1tnn s ARG 18 CO 0.56 0.15 0.44 1.19 0.02 0.00 0.00 175.30 177.65 1tnn n PHE 19 N 2.77 -1.31 -3.61 -0.53 3.72 0.22 -4.80 117.46 113.93 1tnn n PHE 19 Ca -0.14 -3.04 -0.37 0.00 -0.05 0.00 0.00 57.45 53.85 1tnn n PHE 19 Cb 0.57 0.37 -0.09 0.00 -0.94 0.00 0.00 39.48 39.39 1tnn n PHE 19 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1tnn s SER 20 N -0.08 6.17 0.17 4.37 0.15 -1.26 -1.92 113.70 121.30 1tnn s SER 20 Ca 0.33 0.18 0.00 0.00 0.70 0.00 0.00 55.95 57.16 1tnn s SER 20 Cb 0.06 -2.13 -0.00 0.00 -1.71 0.00 0.00 66.02 62.24 1tnn s SER 20 CO -0.17 0.03 0.00 0.00 1.20 0.00 0.00 173.24 174.31 1tnn s ASP 22 N -1.92 -0.08 -0.21 0.00 2.15 -0.85 -2.80 116.67 112.96 1tnn s ASP 22 Ca 0.00 -0.16 -0.19 0.00 0.43 0.00 0.00 52.55 52.63 1tnn s ASP 22 Cb 0.00 0.31 0.05 0.00 -0.30 0.00 0.00 42.92 42.98 1tnn s ASP 22 CO 0.00 -0.52 0.55 0.42 -0.17 0.00 0.00 175.17 175.45 1tnn s THR 23 N -2.04 -0.00 0.94 1.71 -4.23 -1.18 -0.70 115.64 110.14 1tnn s THR 23 Ca -0.09 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.30 1tnn s THR 23 Cb -0.03 -0.76 0.16 0.00 1.34 0.00 0.00 72.50 73.20 1tnn s THR 23 CO -0.01 0.00 1.10 -0.62 -0.54 0.00 0.00 174.62 174.56 1tnn s ASP 24 N 0.30 3.14 0.00 3.99 2.15 -1.26 -4.60 116.67 120.38 1tnn s ASP 24 Ca -0.00 1.20 0.00 0.00 0.43 0.00 0.00 52.55 54.18 1tnn s ASP 24 Cb -0.04 -1.86 0.00 0.00 -0.30 0.00 0.00 42.92 40.72 1tnn s ASP 24 CO 0.01 -2.81 0.00 0.61 -0.17 0.00 0.00 175.17 172.81 1tnn n GLY 25 N -1.44 2.85 2.67 2.66 0.00 -1.26 -4.06 105.19 106.61 1tnn n GLY 25 Ca 0.06 -1.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.02 1tnn n GLY 25 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1tnn n GLU 26 N 0.00 0.14 -3.97 1.61 0.00 -1.26 -4.48 120.64 112.68 1tnn n GLU 26 Ca 0.00 -0.75 -0.33 0.00 0.00 0.00 0.00 57.16 56.08 1tnn n GLU 26 Cb 0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 31.44 31.17 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 0.27 3.30 0.08 5.31 0.04 -1.26 -4.48 135.00 138.26 1tnn s PRO 27 Ca 0.26 -0.40 0.00 0.00 0.04 0.00 0.00 61.00 60.90 1tnn s PRO 27 Cb 0.19 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.73 1tnn s PRO 27 CO -0.09 0.66 0.00 0.28 0.04 0.00 0.00 177.00 177.88 1tnn n VAL 28 N 0.93-10.81 -1.32 -0.36 0.31 -1.26 -4.90 118.33 100.92 1tnn n VAL 28 Ca -0.11 2.63 -0.18 0.00 -0.01 0.00 0.00 64.34 66.67 1tnn n VAL 28 Cb 0.52 -4.92 0.14 0.00 -0.91 0.00 0.00 33.84 28.67 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 1.89 -1.31 -4.46 5.55 -0.04 -1.26 -4.76 135.00 130.62 1tnn n PRO 29 Ca 0.00 -1.20 -0.27 0.00 -0.04 0.00 0.00 63.50 61.99 1tnn n PRO 29 Cb 0.00 -0.90 -0.09 0.00 -0.04 0.00 0.00 33.50 32.47 1tnn n PRO 29 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1tnn s THR 30 N -2.60 2.02 0.06 0.52 -4.23 -0.86 -4.94 115.64 105.62 1tnn s THR 30 Ca 0.45 -1.89 -0.06 0.00 -1.18 0.00 0.00 61.69 59.01 1tnn s THR 30 Cb -0.02 -2.91 -0.01 0.00 1.34 0.00 0.00 72.50 70.89 1tnn s THR 30 CO 0.33 0.00 0.12 0.54 -0.54 0.00 0.00 174.62 175.07 1tnn s VAL 31 N -2.69 0.15 -0.43 2.29 0.11 -1.26 -1.77 120.40 116.80 1tnn s VAL 31 Ca 0.35 -1.24 0.07 0.00 -2.93 0.00 0.00 61.98 58.23 1tnn s VAL 31 Cb 0.07 -1.18 0.25 0.00 -1.53 0.00 0.00 36.38 33.98 1tnn s VAL 31 CO 0.18 -0.68 0.67 0.41 -3.33 0.00 0.00 175.10 172.36 1tnn n THR 32 N 0.32 -0.41 -1.66 5.04 -1.04 0.33 -4.89 114.28 111.97 1tnn n THR 32 Ca -0.17 -2.99 -0.48 0.00 -2.04 0.00 0.00 64.05 58.37 1tnn n THR 32 Cb 0.60 -0.53 -0.05 0.00 -1.82 0.00 0.00 70.33 68.54 1tnn n THR 32 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1tnn n TRP 33 N 1.49 2.16 -3.62 -1.42 7.02 -1.26 -2.74 117.44 119.06 1tnn n TRP 33 Ca 0.16 0.27 -0.03 0.00 -1.02 0.00 0.00 57.50 56.88 1tnn n TRP 33 Cb 0.57 -2.54 -0.02 0.00 -2.42 0.00 0.00 31.31 26.90 1tnn n TRP 33 CO 0.00 0.00 0.00 -0.48 -2.02 0.00 0.00 177.69 175.19 1tnn s LEU 34 N 1.80 -0.07 0.00 -0.99 2.34 -0.69 -4.03 118.68 117.05 1tnn s LEU 34 Ca 0.84 0.01 0.00 0.00 0.06 0.00 0.00 54.13 55.04 1tnn s LEU 34 Cb -0.75 1.19 0.00 0.00 -0.56 0.00 0.00 46.19 46.07 1tnn s LEU 34 CO 0.44 -0.11 0.00 -1.14 -1.06 0.00 0.00 176.35 174.48 1tnn n ARG 35 N 0.03 0.00 -1.71 1.48 0.00 -1.26 -2.35 116.66 112.85 1tnn n ARG 35 Ca 0.03 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.71 1tnn n ARG 35 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.98 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 -1.51 -0.77 -0.14 4.81 -1.26 -4.77 118.16 114.52 1tnn n LYS 36 Ca 0.00 0.94 0.06 0.00 -0.87 0.00 0.00 58.31 58.44 1tnn n LYS 36 Cb 0.00 -5.33 0.17 0.00 0.02 0.00 0.00 35.03 29.89 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 -0.46 4.32 3.24 3.14 0.00 -1.26 -4.97 105.19 109.21 1tnn n GLY 37 Ca -0.17 -1.22 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.80 -2.21 -3.91 1.61 0.00 -1.26 -2.37 117.38 108.43 1tnn n GLN 38 Ca 0.16 0.90 -0.30 0.00 -0.00 0.00 0.00 57.00 57.76 1tnn n GLN 38 Cb 0.78 -5.84 -0.05 0.00 0.00 0.00 0.00 30.24 25.14 1tnn n GLN 38 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 1tnn n VAL 39 N -3.17 -0.19 -3.82 1.69 0.24 -1.26 -0.56 118.33 111.25 1tnn n VAL 39 Ca -0.07 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 61.98 1tnn n VAL 39 Cb 0.62 -0.62 0.02 0.00 -1.47 0.00 0.00 33.84 32.39 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 -3.68 -2.77 0.00 1.34 4.32 -1.00 -4.50 117.00 110.71 1tnn n LEU 40 Ca 0.07 -0.83 0.00 0.00 -0.02 0.00 0.00 56.01 55.24 1tnn n LEU 40 Cb 0.47 -2.57 0.00 0.00 -1.62 0.00 0.00 43.42 39.71 1tnn n LEU 40 CO 0.68 0.43 0.00 -0.24 -1.22 0.00 0.00 177.39 177.05 1tnn n SER 41 N -2.95 0.00 0.00 -1.43 2.88 0.28 -4.51 113.62 107.89 1tnn n SER 41 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1tnn n SER 41 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1tnn n SER 41 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1tnn n THR 42 N 0.00 0.00 0.00 2.46 -2.24 -1.26 -4.88 114.28 108.36 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 -0.24 -0.57 0.00 0.00 175.07 174.26 1tnn n SER 43 N 0.00 0.00 -0.18 3.42 2.88 0.17 -4.62 113.62 115.29 1tnn n SER 43 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1tnn n SER 43 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 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 0.26 0.00 -1.46 0.00 -1.98 -3.30 119.26 112.79 1tnn h ALA 44 Ca 0.00 0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1tnn h ALA 44 Cb 0.00 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1tnn h ALA 44 CO 0.00 -0.50 -1.54 -2.13 0.00 0.00 0.00 179.25 175.09 1tnn n ARG 45 N -5.41 1.24 -3.69 0.00 0.63 -1.26 -5.04 116.66 103.13 1tnn n ARG 45 Ca 0.05 0.03 -0.24 0.00 -0.92 0.00 0.00 57.85 56.78 1tnn n ARG 45 Cb 0.31 -1.19 -0.00 0.00 0.45 0.00 0.00 32.46 32.03 1tnn n ARG 45 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1tnn s HIS 46 N -2.19 1.85 -0.55 -0.14 3.76 -1.24 -3.62 115.29 113.15 1tnn s HIS 46 Ca -0.09 -0.74 0.04 0.00 -0.15 0.00 0.00 55.06 54.11 1tnn s HIS 46 Cb 0.03 -2.02 0.39 0.00 1.11 0.00 0.00 32.58 32.09 1tnn s HIS 46 CO 0.26 -0.49 1.22 0.94 -0.85 0.00 0.00 174.74 175.82 1tnn n GLN 47 N -1.78 3.41 -1.43 1.40 7.27 0.52 0.43 117.38 127.20 1tnn n GLN 47 Ca 0.02 -4.48 -0.33 0.00 0.07 0.00 0.00 57.00 52.28 1tnn n GLN 47 Cb 0.63 -2.26 0.09 0.00 2.41 0.00 0.00 30.24 31.11 1tnn n GLN 47 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1tnn s VAL 48 N -5.17 2.57 0.07 1.69 -7.23 -1.26 -1.99 120.40 109.08 1tnn s VAL 48 Ca 0.48 0.26 -0.26 0.00 -1.81 0.00 0.00 61.98 60.65 1tnn s VAL 48 Cb 0.37 -2.76 0.09 0.00 0.56 0.00 0.00 36.38 34.64 1tnn s VAL 48 CO -0.20 -0.17 1.18 0.28 -0.31 0.00 0.00 175.10 175.88 1tnn s THR 49 N -2.19 0.00 -0.29 5.32 -1.32 0.34 -4.66 115.64 112.84 1tnn s THR 49 Ca 0.71 -0.35 -0.13 0.00 -1.21 0.00 0.00 61.69 60.71 1tnn s THR 49 Cb -0.26 -2.82 0.11 0.00 -1.51 0.00 0.00 72.50 68.02 1tnn s THR 49 CO 0.46 0.00 0.70 -0.89 -2.21 0.00 0.00 174.62 172.68 1tnn s THR 50 N -2.15 -0.55 0.44 5.08 2.01 -1.26 -1.34 115.64 117.87 1tnn s THR 50 Ca 0.25 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.23 1tnn s THR 50 Cb -0.01 -1.00 0.09 0.00 0.01 0.00 0.00 72.50 71.59 1tnn s THR 50 CO 0.02 0.00 0.60 0.41 -0.69 0.00 0.00 174.62 174.95 1tnn n THR 51 N 4.93 0.00 -0.04 -0.82 -1.04 0.11 -4.91 114.28 112.49 1tnn n THR 51 Ca -0.15 -0.86 -0.03 0.00 -2.04 0.00 0.00 64.05 60.97 1tnn n THR 51 Cb 0.53 -1.18 -0.02 0.00 -1.82 0.00 0.00 70.33 67.84 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 -0.07 -0.24 -2.82 6.56 -2.03 -3.14 116.57 114.84 1tnn h LYS 52 Ca -0.20 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.33 1tnn h LYS 52 Cb 0.70 0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 32.34 1tnn h LYS 52 CO 0.20 -0.04 -0.05 0.66 -2.06 0.00 0.00 179.45 178.16 1tnn n TYR 53 N -3.34 0.80 -4.10 -1.35 4.01 -1.26 -4.87 117.16 107.05 1tnn n TYR 53 Ca -0.01 -1.18 -0.15 0.00 -0.16 0.00 0.00 57.90 56.41 1tnn n TYR 53 Cb 0.07 -0.35 -0.04 0.00 -0.31 0.00 0.00 39.34 38.71 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 -3.00 1.93 -0.07 -0.72 1.02 -1.19 -3.12 119.74 114.59 1tnn s LYS 54 Ca 0.41 -1.79 -0.15 0.00 0.02 0.00 0.00 55.97 54.46 1tnn s LYS 54 Cb 0.36 0.44 0.03 0.00 -0.52 0.00 0.00 37.83 38.14 1tnn s LYS 54 CO 0.04 -0.80 0.36 0.45 -0.92 0.00 0.00 175.35 174.48 1tnn s SER 55 N -3.25 -0.30 0.01 2.83 0.15 -1.12 0.04 113.70 112.06 1tnn s SER 55 Ca 0.31 0.39 0.01 0.00 0.70 0.00 0.00 55.95 57.36 1tnn s SER 55 Cb -0.00 0.51 -0.01 0.00 -1.71 0.00 0.00 66.02 64.80 1tnn s SER 55 CO 0.21 -0.33 -0.04 -0.89 1.20 0.00 0.00 173.24 173.39 1tnn s THR 56 N -0.71 0.26 -0.07 6.45 2.01 -0.45 -1.29 115.64 121.83 1tnn s THR 56 Ca -0.08 -0.51 -0.00 0.00 0.31 0.00 0.00 61.69 61.40 1tnn s THR 56 Cb -0.04 -0.30 0.02 0.00 0.01 0.00 0.00 72.50 72.20 1tnn s THR 56 CO 0.03 -0.17 -0.04 0.12 -0.69 0.00 0.00 174.62 173.87 1tnn s PHE 57 N -0.68 0.96 -0.09 4.92 5.36 -0.81 0.13 117.98 127.77 1tnn s PHE 57 Ca -0.05 -0.35 0.03 0.00 -0.96 0.00 0.00 56.93 55.60 1tnn s PHE 57 Cb -0.05 -0.90 0.01 0.00 -0.34 0.00 0.00 43.02 41.74 1tnn s PHE 57 CO -0.00 -0.34 -0.19 -2.00 -1.46 0.00 0.00 175.22 171.23 1tnn s GLU 58 N 1.54 2.50 -1.06 10.12 2.12 -0.84 -0.61 118.70 132.48 1tnn s GLU 58 Ca -0.00 -0.69 -0.12 0.00 0.36 0.00 0.00 54.97 54.51 1tnn s GLU 58 Cb -0.13 -1.94 0.23 0.00 0.26 0.00 0.00 34.13 32.55 1tnn s GLU 58 CO -0.04 0.12 1.12 0.42 -0.54 0.00 0.00 175.26 176.33 1tnn s ILE 59 N 0.48 5.57 -0.21 -3.70 1.01 -0.39 -0.36 121.20 123.60 1tnn s ILE 59 Ca -0.17 -2.85 0.15 0.00 0.00 0.00 0.00 60.65 57.78 1tnn s ILE 59 Cb -0.17 -4.67 0.51 0.00 0.01 0.00 0.00 42.46 38.14 1tnn s ILE 59 CO 0.07 -1.29 1.42 -0.24 0.00 0.00 0.00 174.94 174.90 1tnn n SER 60 N 4.06 3.46 -1.29 3.58 2.88 -1.26 -4.14 113.62 120.92 1tnn n SER 60 Ca 0.25 -3.21 -0.06 0.00 -1.33 0.00 0.00 58.87 54.53 1tnn n SER 60 Cb 0.43 -0.56 -0.03 0.00 -0.75 0.00 0.00 64.21 63.29 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 -0.72 -1.03 -4.76 -3.46 2.88 -1.26 -4.51 113.62 100.75 1tnn n SER 61 Ca 0.24 -1.95 -0.38 0.00 -1.33 0.00 0.00 58.87 55.45 1tnn n SER 61 Cb 0.92 0.36 0.01 0.00 -0.75 0.00 0.00 64.21 64.75 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 0.02 2.57 0.24 2.46 0.11 -1.24 -4.71 120.40 119.86 1tnn s VAL 62 Ca 0.02 0.45 0.11 0.00 -2.93 0.00 0.00 61.98 59.63 1tnn s VAL 62 Cb 0.08 -3.24 -0.05 0.00 -1.53 0.00 0.00 36.38 31.64 1tnn s VAL 62 CO -0.02 0.02 -0.21 -1.10 -3.33 0.00 0.00 175.10 170.46 1tnn s GLN 63 N -2.63 1.60 1.27 1.54 -1.52 -1.26 -4.25 119.66 114.40 1tnn s GLN 63 Ca 0.64 -1.67 0.00 0.00 -1.95 0.00 0.00 55.36 52.38 1tnn s GLN 63 Cb -0.36 -1.74 0.00 0.00 -0.22 0.00 0.00 33.01 30.69 1tnn s GLN 63 CO 0.44 0.34 0.00 0.00 -0.25 0.00 0.00 175.29 175.82 1tnn n ALA 64 N -0.30 0.00 -3.26 6.09 0.00 -1.26 -4.34 120.51 117.44 1tnn n ALA 64 Ca -0.08 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.39 1tnn n ALA 64 Cb 0.59 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.00 1tnn n ALA 64 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1tnn s SER 65 N -4.00 -0.26 -0.12 0.00 1.04 -1.26 -4.69 113.70 104.41 1tnn s SER 65 Ca 0.00 0.36 0.15 0.00 0.48 0.00 0.00 55.95 56.93 1tnn s SER 65 Cb 0.00 1.30 0.28 0.00 0.10 0.00 0.00 66.02 67.70 1tnn s SER 65 CO 0.00 -0.05 1.14 0.47 0.98 0.00 0.00 173.24 175.78 1tnn n ASP 66 N 4.71 1.77 -0.07 7.02 8.00 -1.26 -5.11 116.55 131.60 1tnn n ASP 66 Ca -0.07 -3.05 0.00 0.00 0.71 0.00 0.00 54.79 52.38 1tnn n ASP 66 Cb 0.54 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 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 -1.03 0.00 0.00 -1.24 0.28 -1.26 -4.89 120.64 112.50 1tnn n GLU 67 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 1tnn n GLU 67 Cb 0.69 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.56 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 0.13 0.00 -1.84 0.00 -0.72 -4.37 105.19 98.39 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 -0.92 0.00 -4.37 1.61 3.02 -1.25 -3.32 115.26 110.03 1tnn n ASN 69 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.23 1tnn n ASN 69 Cb 0.00 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.02 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 0.00 2.59 0.05 3.10 2.02 0.92 -4.70 117.35 121.33 1tnn s TYR 70 Ca 0.00 -0.46 0.05 0.00 -0.37 0.00 0.00 57.07 56.28 1tnn s TYR 70 Cb 0.00 -1.64 -0.03 0.00 -0.40 0.00 0.00 41.96 39.89 1tnn s TYR 70 CO 0.00 -0.04 -0.13 -1.12 -1.57 0.00 0.00 175.55 172.68 1tnn s SER 71 N -0.34 1.58 -0.40 2.29 0.01 -0.99 -0.93 113.70 114.91 1tnn s SER 71 Ca 0.02 -0.53 -0.14 0.00 1.31 0.00 0.00 55.95 56.61 1tnn s SER 71 Cb -0.13 -0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.06 1tnn s SER 71 CO 0.02 -0.04 0.28 0.54 0.41 0.00 0.00 173.24 174.46 1tnn s VAL 72 N -1.08 5.15 -0.39 3.43 0.11 0.05 -1.70 120.40 125.96 1tnn s VAL 72 Ca -0.01 -0.69 -0.22 0.00 -2.93 0.00 0.00 61.98 58.12 1tnn s VAL 72 Cb -0.09 -3.87 0.01 0.00 -1.53 0.00 0.00 36.38 30.90 1tnn s VAL 72 CO 0.02 -0.30 0.72 -0.69 -3.33 0.00 0.00 175.10 171.52 1tnn s VAL 73 N 1.66 4.77 0.37 2.04 1.01 -1.11 -1.01 120.40 128.14 1tnn s VAL 73 Ca 0.04 0.59 0.08 0.00 0.00 0.00 0.00 61.98 62.69 1tnn s VAL 73 Cb -0.19 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 31.93 1tnn s VAL 73 CO 0.09 -0.49 -0.00 0.68 0.00 0.00 0.00 175.10 175.38 1tnn s VAL 74 N 3.00 2.28 0.06 2.92 -7.23 0.04 0.12 120.40 121.60 1tnn s VAL 74 Ca 0.28 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.44 1tnn s VAL 74 Cb -0.13 -2.84 -0.01 0.00 0.56 0.00 0.00 36.38 33.97 1tnn s VAL 74 CO 0.18 -0.12 0.05 -0.62 -0.31 0.00 0.00 175.10 174.28 1tnn n GLU 75 N -0.95 0.13 -4.18 4.82 4.71 -0.73 -0.79 120.64 123.65 1tnn n GLU 75 Ca -0.04 -0.61 -0.12 0.00 -0.01 0.00 0.00 57.16 56.38 1tnn n GLU 75 Cb 0.64 0.49 -0.10 0.00 -1.01 0.00 0.00 31.44 31.46 1tnn n GLU 75 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 1tnn s ASN 76 N -1.43 0.14 0.62 1.62 3.84 -0.66 -2.03 114.94 117.04 1tnn s ASN 76 Ca 0.07 -1.34 0.24 0.00 0.21 0.00 0.00 52.86 52.04 1tnn s ASN 76 Cb 0.00 0.39 1.18 0.00 -0.55 0.00 0.00 41.25 42.27 1tnn s ASN 76 CO 0.05 -0.86 1.64 0.77 -2.79 0.00 0.00 177.10 175.91 1tnn h SER 77 N 2.61 0.00 -0.04 -4.21 4.64 -1.86 -2.96 113.55 111.73 1tnn h SER 77 Ca -0.35 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.75 1tnn h SER 77 Cb 1.25 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.17 1tnn h SER 77 CO 0.52 0.00 -0.38 1.21 -0.87 0.00 0.00 176.83 177.31 1tnn n GLU 78 N -3.22 1.23 -1.87 4.77 2.13 -1.26 -5.10 120.64 117.32 1tnn n GLU 78 Ca 0.08 -1.79 -0.00 0.00 0.66 0.00 0.00 57.16 56.11 1tnn n GLU 78 Cb 0.84 -0.02 0.00 0.00 0.27 0.00 0.00 31.44 32.53 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 -0.74 0.94 3.25 8.31 0.00 -1.12 -5.19 105.19 110.65 1tnn n GLY 79 Ca -0.05 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.00 1.16 0.02 1.61 1.02 -1.26 -1.66 119.74 118.62 1tnn s LYS 80 Ca 0.03 -1.46 -0.28 0.00 0.02 0.00 0.00 55.97 54.28 1tnn s LYS 80 Cb -0.00 0.30 0.10 0.00 -0.52 0.00 0.00 37.83 37.71 1tnn s LYS 80 CO 0.00 -0.39 1.24 1.14 -0.92 0.00 0.00 175.35 176.43 1tnn s GLN 81 N -4.08 0.54 -0.01 1.68 -2.07 0.03 -4.84 119.66 110.90 1tnn s GLN 81 Ca 0.29 -0.33 -0.19 0.00 -1.82 0.00 0.00 55.36 53.31 1tnn s GLN 81 Cb 0.06 0.16 0.06 0.00 -1.09 0.00 0.00 33.01 32.20 1tnn s GLN 81 CO 0.07 -0.25 0.85 -0.85 -1.32 0.00 0.00 175.29 173.79 1tnn n GLU 82 N -0.70 0.12 -3.82 9.60 0.28 -1.26 -0.78 120.64 124.09 1tnn n GLU 82 Ca -0.02 -0.51 -0.09 0.00 -0.16 0.00 0.00 57.16 56.37 1tnn n GLU 82 Cb 0.60 0.85 -0.04 0.00 1.43 0.00 0.00 31.44 34.28 1tnn n GLU 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1tnn s ALA 83 N -1.67 -0.79 0.02 -1.84 0.00 -0.18 -4.91 121.76 112.40 1tnn s ALA 83 Ca 0.20 -0.40 -0.17 0.00 0.00 0.00 0.00 51.96 51.59 1tnn s ALA 83 Cb -0.01 0.90 0.03 0.00 0.00 0.00 0.00 23.12 24.04 1tnn s ALA 83 CO -0.00 -0.84 0.38 -1.83 0.00 0.00 0.00 175.76 173.47 1tnn s GLU 84 N -3.91 0.83 0.00 0.00 4.04 -1.26 -0.77 118.70 117.63 1tnn s GLU 84 Ca 0.12 -0.29 0.00 0.00 0.04 0.00 0.00 54.97 54.84 1tnn s GLU 84 Cb -0.01 0.37 0.00 0.00 0.02 0.00 0.00 34.13 34.51 1tnn s GLU 84 CO 0.01 -0.26 0.00 1.97 -1.84 0.00 0.00 175.26 175.13 1tnn n PHE 85 N 0.79 -0.78 -3.66 4.83 -1.74 -0.11 -4.86 117.46 111.92 1tnn n PHE 85 Ca -0.19 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.61 1tnn n PHE 85 Cb 0.58 0.00 -0.10 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 -2.81 -0.61 -0.51 1.97 -4.23 -1.26 -0.06 115.64 108.13 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 -0.66 0.13 0.00 1.34 0.00 0.00 72.50 73.31 1tnn s THR 86 CO 0.00 0.07 0.28 -0.22 -0.54 0.00 0.00 174.62 174.21 1tnn s LEU 87 N 2.54 4.90 0.00 4.79 2.96 -1.21 -1.84 118.68 130.83 1tnn s LEU 87 Ca -0.02 -2.63 -0.18 0.00 -0.22 0.00 0.00 54.13 51.08 1tnn s LEU 87 Cb -0.12 -1.75 0.26 0.00 0.50 0.00 0.00 46.19 45.08 1tnn s LEU 87 CO -0.13 -0.37 1.17 0.41 -1.32 0.00 0.00 176.35 176.11 1tnn n THR 88 N 3.72 0.00 -3.99 3.68 -1.04 -1.06 -1.75 114.28 113.84 1tnn n THR 88 Ca 0.04 -0.69 -0.08 0.00 -2.04 0.00 0.00 64.05 61.28 1tnn n THR 88 Cb 0.38 -1.37 -0.09 0.00 -1.82 0.00 0.00 70.33 67.42 1tnn n THR 88 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1tnn s ILE 89 N -3.34 0.17 -0.74 12.58 1.09 -1.24 -1.36 121.20 128.36 1tnn s ILE 89 Ca 0.71 -1.44 0.04 0.00 -1.10 0.00 0.00 60.65 58.86 1tnn s ILE 89 Cb -0.04 -1.25 0.24 0.00 -1.06 0.00 0.00 42.46 40.35 1tnn s ILE 89 CO 0.52 -0.79 0.82 1.67 -0.10 0.00 0.00 174.94 177.06 1tnn n GLN 90 N 0.31 2.73 0.00 2.79 0.00 -0.57 -4.90 117.38 117.74 1tnn n GLN 90 Ca -0.16 -4.62 0.00 0.00 -0.00 0.00 0.00 57.00 52.22 1tnn n GLN 90 Cb 0.60 -2.32 0.00 0.00 0.00 0.00 0.00 30.24 28.53 1tnn n GLN 90 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42