#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 0.00-11.95 0.05 0.55 5.41 -1.26 -4.91 119.36 107.25 1tnn n ILE 2 Ca 0.00 2.65 -0.13 0.00 1.00 0.00 0.00 62.75 66.28 1tnn n ILE 2 Cb 0.00 -5.94 -0.09 0.00 -0.71 0.00 0.00 39.64 32.90 1tnn n ILE 2 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1tnn h LEU 3 N 3.68 -0.13 -6.91 1.39 4.07 -1.48 -3.44 115.31 112.49 1tnn h LEU 3 Ca -0.22 -0.32 -0.24 0.00 0.08 0.00 0.00 57.88 57.19 1tnn h LEU 3 Cb 0.50 0.03 -0.33 0.00 1.08 0.00 0.00 40.66 41.95 1tnn h LEU 3 CO 0.00 0.26 -0.55 -0.89 -1.08 0.00 0.00 178.44 176.19 1tnn s THR 4 N -4.55 -0.43 0.56 0.22 2.01 -1.10 -4.94 115.64 107.41 1tnn s THR 4 Ca -0.15 0.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.88 1tnn s THR 4 Cb 0.02 -0.61 0.01 0.00 0.01 0.00 0.00 72.50 71.94 1tnn s THR 4 CO 0.61 -0.05 0.84 -1.59 -0.69 0.00 0.00 174.62 173.75 1tnn s LYS 5 N 2.42 2.88 1.15 4.92 -2.85 -1.26 -2.33 119.74 124.68 1tnn s LYS 5 Ca 0.05 -0.19 -0.19 0.00 -1.00 0.00 0.00 55.97 54.64 1tnn s LYS 5 Cb -0.14 -2.35 0.27 0.00 -2.06 0.00 0.00 37.83 33.55 1tnn s LYS 5 CO -0.11 -0.63 1.17 -1.25 0.10 0.00 0.00 175.35 174.63 1tnn s PRO 6 N -4.89 -0.86 -0.14 1.78 0.04 -1.26 -4.97 135.00 124.71 1tnn s PRO 6 Ca 0.53 -0.20 0.17 0.00 0.04 0.00 0.00 61.00 61.54 1tnn s PRO 6 Cb -0.10 -1.65 0.43 0.00 0.04 0.00 0.00 34.50 33.21 1tnn s PRO 6 CO 0.43 -3.45 1.20 2.89 0.04 0.00 0.00 177.00 178.11 1tnn n ARG 7 N -4.54 1.11 -1.15 4.56 1.85 -1.26 -5.04 116.66 112.19 1tnn n ARG 7 Ca 0.14 -2.88 0.14 0.00 -1.00 0.00 0.00 57.85 54.25 1tnn n ARG 7 Cb 0.60 -1.06 -0.05 0.00 -1.05 0.00 0.00 32.46 30.90 1tnn n ARG 7 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1tnn n SER 8 N -0.49 -6.32 0.00 2.89 7.64 -1.26 -4.95 113.62 111.13 1tnn n SER 8 Ca 0.15 0.64 0.00 0.00 1.01 0.00 0.00 58.87 60.67 1tnn n SER 8 Cb 0.87 -3.67 0.00 0.00 -1.01 0.00 0.00 64.21 60.41 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 -3.53 -1.64 -3.43 1.43 0.00 -0.89 -4.94 117.12 104.13 1tnn n MET 9 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 57.70 57.54 1tnn n MET 9 Cb 0.63 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.74 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 -2.81 -0.44 0.40 3.17 2.01 -1.26 -2.70 115.64 114.01 1tnn s THR 10 Ca 0.00 -0.12 0.08 0.00 0.31 0.00 0.00 61.69 61.96 1tnn s THR 10 Cb 0.00 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 1tnn s THR 10 CO 0.00 -0.19 0.26 0.68 -0.69 0.00 0.00 174.62 174.69 1tnn s VAL 11 N 2.41 2.66 -0.12 3.82 -7.23 -0.61 -4.93 120.40 116.40 1tnn s VAL 11 Ca 0.09 -1.53 -0.09 0.00 -1.81 0.00 0.00 61.98 58.64 1tnn s VAL 11 Cb -0.16 -3.01 -0.03 0.00 0.56 0.00 0.00 36.38 33.75 1tnn s VAL 11 CO -0.14 -0.04 -0.18 -1.22 -0.31 0.00 0.00 175.10 173.20 1tnn n TYR 12 N -1.36 0.59 -3.19 2.82 4.02 -1.26 -1.73 117.16 117.05 1tnn n TYR 12 Ca 0.00 0.25 0.05 0.00 -0.01 0.00 0.00 57.90 58.19 1tnn n TYR 12 Cb 0.62 -0.61 -0.02 0.00 -0.02 0.00 0.00 39.34 39.31 1tnn n TYR 12 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1tnn s GLU 13 N -2.14 0.26 -0.89 -0.72 2.12 -1.26 -1.73 118.70 114.35 1tnn s GLU 13 Ca -0.15 0.50 0.00 0.00 0.36 0.00 0.00 54.97 55.68 1tnn s GLU 13 Cb 0.02 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.69 1tnn s GLU 13 CO 0.22 -0.25 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 1tnn n GLY 14 N 5.38 0.97 0.00 -1.50 0.00 -1.26 -4.69 105.19 104.09 1tnn n GLY 14 Ca -0.06 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.02 0.00 0.00 1.61 0.00 -1.26 -4.67 120.64 114.30 1tnn n GLU 15 Ca -0.08 0.28 0.00 0.00 0.00 0.00 0.00 57.16 57.36 1tnn n GLU 15 Cb 0.37 -1.12 0.00 0.00 0.00 0.00 0.00 31.44 30.68 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 -1.35 0.00 -2.32 4.31 7.64 -1.26 -5.01 113.62 115.64 1tnn n SER 16 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1tnn n SER 16 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 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 -1.94 -0.71 -2.47 -0.43 0.00 -1.26 -3.53 120.51 110.17 1tnn n ALA 17 Ca 0.00 0.11 -0.38 0.00 0.00 0.00 0.00 53.44 53.17 1tnn n ALA 17 Cb 0.00 -1.51 -0.03 0.00 0.00 0.00 0.00 19.45 17.91 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 -4.82 3.39 -1.13 0.00 3.52 -1.26 -4.02 118.95 114.64 1tnn s ARG 18 Ca 0.00 -0.94 -0.21 0.00 -0.13 0.00 0.00 55.73 54.45 1tnn s ARG 18 Cb 0.00 -5.26 0.05 0.00 -1.56 0.00 0.00 34.95 28.18 1tnn s ARG 18 CO 0.00 -2.41 1.59 -0.06 -0.81 0.00 0.00 175.30 173.61 1tnn s PHE 19 N 5.92 2.59 -0.52 5.12 0.08 -0.63 -4.84 117.98 125.70 1tnn s PHE 19 Ca 0.50 -1.06 -0.17 0.00 0.12 0.00 0.00 56.93 56.31 1tnn s PHE 19 Cb -0.02 -4.68 0.09 0.00 -0.57 0.00 0.00 43.02 37.84 1tnn s PHE 19 CO -0.07 -1.86 0.53 0.45 -0.10 0.00 0.00 175.22 174.16 1tnn s SER 20 N 4.83 6.18 0.09 1.36 0.15 -1.26 -1.46 113.70 123.58 1tnn s SER 20 Ca 0.50 -1.34 0.01 0.00 0.70 0.00 0.00 55.95 55.82 1tnn s SER 20 Cb 0.01 -2.24 0.01 0.00 -1.71 0.00 0.00 66.02 62.10 1tnn s SER 20 CO -0.02 -0.84 0.09 0.00 1.20 0.00 0.00 173.24 173.67 1tnn s ASP 22 N -1.52 0.22 -0.21 0.00 2.15 -0.98 -2.66 116.67 113.67 1tnn s ASP 22 Ca 0.07 -0.52 -0.20 0.00 0.43 0.00 0.00 52.55 52.33 1tnn s ASP 22 Cb -0.01 0.16 0.05 0.00 -0.30 0.00 0.00 42.92 42.82 1tnn s ASP 22 CO 0.04 -0.39 0.56 0.42 -0.17 0.00 0.00 175.17 175.63 1tnn s THR 23 N -1.98 0.00 0.73 1.71 -4.23 -1.00 -1.18 115.64 109.70 1tnn s THR 23 Ca -0.11 -0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.30 1tnn s THR 23 Cb -0.06 -0.78 0.05 0.00 1.34 0.00 0.00 72.50 73.05 1tnn s THR 23 CO -0.02 -0.00 1.09 -0.62 -0.54 0.00 0.00 174.62 174.52 1tnn s ASP 24 N 0.28 4.90 0.00 3.99 -1.08 -1.26 -4.59 116.67 118.91 1tnn s ASP 24 Ca -0.00 0.75 0.00 0.00 -0.52 0.00 0.00 52.55 52.78 1tnn s ASP 24 Cb -0.04 -1.40 0.00 0.00 -1.46 0.00 0.00 42.92 40.02 1tnn s ASP 24 CO 0.01 -1.62 0.00 0.61 0.52 0.00 0.00 175.17 174.69 1tnn n GLY 25 N -3.06 1.75 2.72 2.66 0.00 -1.26 -3.99 105.19 104.01 1tnn n GLY 25 Ca 0.07 -0.75 -0.02 0.00 0.00 0.00 0.00 46.02 45.33 1tnn n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tnn s GLU 26 N 0.12 0.31 -0.09 1.61 2.02 -1.26 -4.36 118.70 117.05 1tnn s GLU 26 Ca 0.00 -0.26 -0.10 0.00 0.02 0.00 0.00 54.97 54.63 1tnn s GLU 26 Cb 0.00 -0.00 -0.05 0.00 0.10 0.00 0.00 34.13 34.18 1tnn s GLU 26 CO 0.00 -0.40 0.23 -1.25 0.02 0.00 0.00 175.26 173.86 1tnn s PRO 27 N 1.24 3.69 0.13 0.39 0.04 -1.26 -4.86 135.00 134.36 1tnn s PRO 27 Ca 0.22 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.30 1tnn s PRO 27 Cb 0.09 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1tnn s PRO 27 CO -0.11 0.68 0.00 0.28 0.04 0.00 0.00 177.00 177.89 1tnn n VAL 28 N 2.15-11.04 -0.14 -0.36 0.31 -1.26 -4.93 118.33 103.06 1tnn n VAL 28 Ca -0.17 2.75 0.00 0.00 -0.01 0.00 0.00 64.34 66.91 1tnn n VAL 28 Cb 0.54 -4.78 0.00 0.00 -0.91 0.00 0.00 33.84 28.69 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 0.52 -4.16 5.55 -0.04 -1.26 -4.59 135.00 132.92 1tnn n PRO 29 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 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 -0.25 0.78 0.13 0.52 2.01 -0.87 -4.83 115.64 113.13 1tnn s THR 30 Ca 0.00 -1.71 0.04 0.00 0.31 0.00 0.00 61.69 60.33 1tnn s THR 30 Cb 0.00 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 1tnn s THR 30 CO 0.00 -0.69 -0.10 0.54 -0.69 0.00 0.00 174.62 173.68 1tnn s VAL 31 N -2.87 1.12 -0.44 3.82 0.11 -1.26 -0.65 120.40 120.23 1tnn s VAL 31 Ca 0.07 -1.94 0.08 0.00 -2.93 0.00 0.00 61.98 57.25 1tnn s VAL 31 Cb 0.00 -1.72 0.30 0.00 -1.53 0.00 0.00 36.38 33.43 1tnn s VAL 31 CO -0.02 -0.69 0.88 0.41 -3.33 0.00 0.00 175.10 172.36 1tnn n THR 32 N 0.02 -0.14 -1.60 5.04 -1.04 0.48 -4.86 114.28 112.18 1tnn n THR 32 Ca -0.12 -2.57 -0.46 0.00 -2.04 0.00 0.00 64.05 58.86 1tnn n THR 32 Cb 0.60 0.58 -0.02 0.00 -1.82 0.00 0.00 70.33 69.66 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 0.83 1.38 -3.64 -1.42 7.02 -1.26 -2.71 117.44 117.64 1tnn n TRP 33 Ca 0.13 0.67 -0.02 0.00 -1.02 0.00 0.00 57.50 57.25 1tnn n TRP 33 Cb 0.65 -2.28 -0.03 0.00 -2.42 0.00 0.00 31.31 27.22 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 0.47 -0.05 -0.30 -0.99 2.34 -0.71 -3.37 118.68 116.07 1tnn s LEU 34 Ca 0.64 0.03 0.02 0.00 0.06 0.00 0.00 54.13 54.89 1tnn s LEU 34 Cb -0.74 1.12 0.19 0.00 -0.56 0.00 0.00 46.19 46.20 1tnn s LEU 34 CO 0.56 -0.06 1.27 -1.14 -1.06 0.00 0.00 176.35 175.93 1tnn n ARG 35 N 0.31 0.01 -1.71 1.48 0.00 -1.26 -2.14 116.66 113.36 1tnn n ARG 35 Ca 0.01 -0.51 -0.16 0.00 -0.00 0.00 0.00 57.85 57.19 1tnn n ARG 35 Cb 0.58 -0.00 -0.05 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 0.09 -1.51 -1.56 -0.14 0.00 -1.26 -4.78 118.16 108.99 1tnn n LYS 36 Ca -0.18 0.91 -0.07 0.00 0.00 0.00 0.00 58.31 58.97 1tnn n LYS 36 Cb 0.70 -5.29 0.09 0.00 0.00 0.00 0.00 35.03 30.54 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 -0.45 4.68 1.39 3.14 0.00 -1.26 -4.92 105.19 107.77 1tnn n GLY 37 Ca -0.17 -1.75 -0.01 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.69 -0.35 -1.85 1.61 7.27 -1.26 -3.90 117.38 118.20 1tnn n GLN 38 Ca 0.26 0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.37 1tnn n GLN 38 Cb 0.87 -2.66 0.00 0.00 2.41 0.00 0.00 30.24 30.86 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 -1.99 0.00 -2.18 1.69 0.24 -1.26 -2.15 118.33 112.67 1tnn n VAL 39 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1tnn n VAL 39 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 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 -1.77 0.00 -4.29 1.34 4.32 -1.22 -4.04 117.00 111.35 1tnn n LEU 40 Ca 0.00 0.42 -0.44 0.00 -0.02 0.00 0.00 56.01 55.97 1tnn n LEU 40 Cb 0.33 -0.85 -0.02 0.00 -1.62 0.00 0.00 43.42 41.25 1tnn n LEU 40 CO 0.00 0.00 0.53 -0.44 -1.22 0.00 0.00 177.39 176.26 1tnn s SER 41 N -1.71 6.76 -0.72 -1.43 0.01 -0.92 -4.76 113.70 110.94 1tnn s SER 41 Ca 0.00 -3.20 -0.09 0.00 1.31 0.00 0.00 55.95 53.97 1tnn s SER 41 Cb 0.00 -2.14 0.01 0.00 0.21 0.00 0.00 66.02 64.10 1tnn s SER 41 CO 0.00 -0.39 0.63 0.35 0.41 0.00 0.00 173.24 174.24 1tnn n THR 42 N 3.21 -4.83 -1.24 1.44 -2.24 -1.26 -4.78 114.28 104.58 1tnn n THR 42 Ca 0.18 0.02 -0.19 0.00 -2.27 0.00 0.00 64.05 61.79 1tnn n THR 42 Cb 0.42 -3.85 -0.12 0.00 -2.10 0.00 0.00 70.33 64.68 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 -1.88 5.86 -1.82 3.42 7.64 -1.26 -4.70 113.62 120.87 1tnn n SER 43 Ca -0.21 -2.82 -0.11 0.00 1.01 0.00 0.00 58.87 56.74 1tnn n SER 43 Cb 0.65 -1.33 -0.03 0.00 -1.01 0.00 0.00 64.21 62.49 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 1.75 -0.45 0.00 -0.43 0.00 -1.26 -4.28 120.51 115.84 1tnn n ALA 44 Ca 0.46 0.14 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1tnn n ALA 44 Cb 0.74 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -2.20 0.00 -2.76 0.00 3.00 -1.26 -5.11 116.66 108.34 1tnn n ARG 45 Ca -0.12 0.00 -0.40 0.00 -0.01 0.00 0.00 57.85 57.32 1tnn n ARG 45 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.88 1tnn n ARG 45 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1tnn s HIS 46 N -0.98 3.91 -1.23 -1.55 3.76 -1.26 -2.92 115.29 115.03 1tnn s HIS 46 Ca 0.00 1.85 -0.05 0.00 -0.15 0.00 0.00 55.06 56.71 1tnn s HIS 46 Cb 0.00 -3.00 0.19 0.00 1.11 0.00 0.00 32.58 30.88 1tnn s HIS 46 CO 0.00 0.36 2.13 0.94 -0.85 0.00 0.00 174.74 177.32 1tnn n GLN 47 N 2.03 4.67 -2.05 1.40 7.27 0.48 -4.37 117.38 126.81 1tnn n GLN 47 Ca -0.00 -3.83 -0.43 0.00 0.07 0.00 0.00 57.00 52.81 1tnn n GLN 47 Cb 0.48 -2.62 -0.03 0.00 2.41 0.00 0.00 30.24 30.48 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 -1.82 3.59 -0.23 1.69 1.01 -1.26 -2.84 120.40 120.54 1tnn s VAL 48 Ca 0.47 0.65 -0.03 0.00 0.00 0.00 0.00 61.98 63.07 1tnn s VAL 48 Cb 0.17 -3.63 0.12 0.00 0.00 0.00 0.00 36.38 33.04 1tnn s VAL 48 CO -0.08 -0.29 0.31 0.42 0.00 0.00 0.00 175.10 175.47 1tnn s THR 49 N 5.60 -0.49 -0.04 3.92 -4.23 0.10 -4.78 115.64 115.72 1tnn s THR 49 Ca 0.75 -0.11 -0.30 0.00 -1.18 0.00 0.00 61.69 60.86 1tnn s THR 49 Cb -0.26 -0.77 -0.02 0.00 1.34 0.00 0.00 72.50 72.79 1tnn s THR 49 CO 0.31 -0.17 0.98 0.28 -0.54 0.00 0.00 174.62 175.48 1tnn s THR 50 N 2.45 4.85 1.03 3.99 -1.32 -1.26 -1.49 115.64 123.89 1tnn s THR 50 Ca 0.10 2.03 -0.17 0.00 -1.21 0.00 0.00 61.69 62.44 1tnn s THR 50 Cb -0.15 -4.31 0.22 0.00 -1.51 0.00 0.00 72.50 66.75 1tnn s THR 50 CO -0.15 0.11 1.26 -0.89 -2.21 0.00 0.00 174.62 172.74 1tnn s THR 51 N 1.36 1.88 0.19 5.08 2.01 0.26 -4.85 115.64 121.58 1tnn s THR 51 Ca 0.50 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 62.31 1tnn s THR 51 Cb -0.20 -2.85 0.15 0.00 0.01 0.00 0.00 72.50 69.61 1tnn s THR 51 CO 0.24 0.00 1.60 0.11 -0.69 0.00 0.00 174.62 175.88 1tnn h LYS 52 N -1.92 -0.13 -0.02 4.92 6.56 -2.02 -2.75 116.57 121.21 1tnn h LYS 52 Ca -0.45 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.15 1tnn h LYS 52 Cb 1.25 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.94 1tnn h LYS 52 CO 0.37 -0.09 0.00 0.66 -2.06 0.00 0.00 179.45 178.33 1tnn n TYR 53 N -5.44 0.07 -4.28 -1.35 4.01 -1.26 -4.79 117.16 104.12 1tnn n TYR 53 Ca 0.05 -0.91 -0.16 0.00 -0.16 0.00 0.00 57.90 56.71 1tnn n TYR 53 Cb 0.35 -0.14 -0.09 0.00 -0.31 0.00 0.00 39.34 39.14 1tnn n TYR 53 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1tnn s LYS 54 N -2.57 1.47 -0.11 -0.72 1.02 -1.04 -2.38 119.74 115.42 1tnn s LYS 54 Ca 0.28 -1.82 -0.02 0.00 0.02 0.00 0.00 55.97 54.43 1tnn s LYS 54 Cb 0.24 0.08 0.04 0.00 -0.52 0.00 0.00 37.83 37.67 1tnn s LYS 54 CO 0.03 -0.45 0.00 0.45 -0.92 0.00 0.00 175.35 174.46 1tnn s SER 55 N -3.29 1.98 0.00 2.83 0.15 -1.09 0.93 113.70 115.21 1tnn s SER 55 Ca 0.38 -0.29 0.03 0.00 0.70 0.00 0.00 55.95 56.77 1tnn s SER 55 Cb 0.06 -0.52 -0.03 0.00 -1.71 0.00 0.00 66.02 63.81 1tnn s SER 55 CO 0.17 -0.21 -0.07 -0.89 1.20 0.00 0.00 173.24 173.44 1tnn s THR 56 N 1.92 3.64 -0.37 6.45 2.01 -0.56 -1.60 115.64 127.14 1tnn s THR 56 Ca 0.04 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.27 1tnn s THR 56 Cb -0.13 -2.58 0.12 0.00 0.01 0.00 0.00 72.50 69.92 1tnn s THR 56 CO -0.06 0.40 0.18 0.12 -0.69 0.00 0.00 174.62 174.56 1tnn s PHE 57 N -0.99 1.46 0.26 4.92 5.36 -0.54 0.00 117.98 128.45 1tnn s PHE 57 Ca 0.17 -1.89 -0.08 0.00 -0.96 0.00 0.00 56.93 54.16 1tnn s PHE 57 Cb -0.11 -1.52 -0.07 0.00 -0.34 0.00 0.00 43.02 40.98 1tnn s PHE 57 CO 0.07 -0.83 0.57 -2.00 -1.46 0.00 0.00 175.22 171.57 1tnn s GLU 58 N 1.06 3.76 -0.52 10.12 -6.30 -1.13 -1.60 118.70 124.09 1tnn s GLU 58 Ca 0.15 0.22 0.05 0.00 -2.50 0.00 0.00 54.97 52.89 1tnn s GLU 58 Cb -0.21 -2.62 0.19 0.00 0.00 0.00 0.00 34.13 31.48 1tnn s GLU 58 CO -0.10 0.26 0.46 -0.89 0.02 0.00 0.00 175.26 175.00 1tnn n ILE 59 N -0.44 0.07 -3.07 -3.70 5.41 -1.23 -0.39 119.36 116.01 1tnn n ILE 59 Ca 0.00 -4.13 -0.33 0.00 1.00 0.00 0.00 62.75 59.29 1tnn n ILE 59 Cb 0.53 -1.90 -0.06 0.00 -0.71 0.00 0.00 39.64 37.49 1tnn n ILE 59 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1tnn s SER 60 N -0.85 6.86 -1.42 4.38 1.04 -1.15 -3.97 113.70 118.59 1tnn s SER 60 Ca 0.32 1.38 -0.01 0.00 0.48 0.00 0.00 55.95 58.11 1tnn s SER 60 Cb 0.05 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1tnn s SER 60 CO -0.16 -0.19 0.35 -1.54 0.98 0.00 0.00 173.24 172.69 1tnn n SER 61 N -0.21 -0.28 -4.12 7.02 3.41 -1.26 -4.30 113.62 113.87 1tnn n SER 61 Ca 0.03 -1.06 -0.34 0.00 -0.26 0.00 0.00 58.87 57.24 1tnn n SER 61 Cb 0.53 -2.76 0.11 0.00 -0.26 0.00 0.00 64.21 61.82 1tnn n SER 61 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1tnn n VAL 62 N -4.44 0.00 -1.97 -3.33 0.24 -1.25 -4.87 118.33 102.70 1tnn n VAL 62 Ca -0.31 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 1tnn n VAL 62 Cb 0.68 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 1tnn n VAL 62 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1tnn n GLN 63 N -0.03 0.00 -0.36 7.34 1.13 -1.26 -4.91 117.38 119.28 1tnn n GLN 63 Ca -0.00 0.00 0.35 0.00 -1.94 0.00 0.00 57.00 55.41 1tnn n GLN 63 Cb 0.66 0.00 0.72 0.00 0.11 0.00 0.00 30.24 31.74 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 2.00 3.06 -1.11 -1.58 0.00 -1.99 -2.71 119.26 116.93 1tnn h ALA 64 Ca 0.00 -0.02 -0.75 0.00 0.00 0.00 0.00 54.91 54.14 1tnn h ALA 64 Cb 0.00 0.09 -0.15 0.00 0.00 0.00 0.00 17.79 17.73 1tnn h ALA 64 CO 0.00 -1.44 1.87 0.45 0.00 0.00 0.00 179.25 180.13 1tnn n SER 65 N -4.24 5.06 0.00 0.00 2.88 -1.26 -4.67 113.62 111.40 1tnn n SER 65 Ca 0.28 -3.05 0.00 0.00 -1.33 0.00 0.00 58.87 54.77 1tnn n SER 65 Cb 1.28 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 1tnn n SER 65 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1tnn n ASP 66 N 4.74 0.00 0.00 -3.46 8.00 -1.02 -4.88 116.55 119.92 1tnn n ASP 66 Ca 0.40 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.90 1tnn n ASP 66 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1tnn n ASP 66 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1tnn n GLU 67 N 0.00 0.00 0.00 -1.24 0.28 -1.24 -4.64 120.64 113.80 1tnn n GLU 67 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1tnn n GLU 67 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 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 -0.61 1.11 -1.84 0.00 0.24 -4.13 105.19 99.96 1tnn n GLY 68 Ca 0.00 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 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 0.16 -4.06 1.61 6.94 -1.26 -1.16 115.26 117.48 1tnn n ASN 69 Ca 0.00 0.13 -0.27 0.00 -0.02 0.00 0.00 54.58 54.41 1tnn n ASN 69 Cb 0.00 -0.30 -0.17 0.00 -2.36 0.00 0.00 39.78 36.96 1tnn n ASN 69 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1tnn s TYR 70 N 2.54 1.85 0.42 -2.53 1.51 -0.23 -4.69 117.35 116.21 1tnn s TYR 70 Ca 0.42 -0.80 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1tnn s TYR 70 Cb -0.44 -1.33 0.01 0.00 -0.11 0.00 0.00 41.96 40.09 1tnn s TYR 70 CO 0.18 -0.40 0.12 0.43 -1.11 0.00 0.00 175.55 174.77 1tnn n SER 71 N 4.00 2.88 -3.55 2.29 7.64 -0.91 -1.47 113.62 124.51 1tnn n SER 71 Ca -0.20 -2.70 -0.26 0.00 1.01 0.00 0.00 58.87 56.71 1tnn n SER 71 Cb 0.52 0.17 -0.15 0.00 -1.01 0.00 0.00 64.21 63.74 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 -2.38 -0.12 -0.45 0.44 0.11 -0.85 -1.74 120.40 115.41 1tnn s VAL 72 Ca 0.09 -0.49 -0.22 0.00 -2.93 0.00 0.00 61.98 58.42 1tnn s VAL 72 Cb -0.01 -0.82 0.03 0.00 -1.53 0.00 0.00 36.38 34.04 1tnn s VAL 72 CO 0.06 -0.52 0.74 -0.69 -3.33 0.00 0.00 175.10 171.35 1tnn s VAL 73 N 2.15 4.71 -0.12 2.04 1.01 -1.10 -1.19 120.40 127.91 1tnn s VAL 73 Ca 0.07 0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.38 1tnn s VAL 73 Cb -0.16 -4.29 0.01 0.00 0.00 0.00 0.00 36.38 31.95 1tnn s VAL 73 CO -0.26 -0.68 -0.20 0.68 0.00 0.00 0.00 175.10 174.64 1tnn s VAL 74 N 3.13 1.84 0.00 2.92 -7.23 -0.43 0.18 120.40 120.80 1tnn s VAL 74 Ca 0.27 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.58 1tnn s VAL 74 Cb -0.13 -1.63 0.00 0.00 0.56 0.00 0.00 36.38 35.18 1tnn s VAL 74 CO 0.21 0.51 0.00 -0.62 -0.31 0.00 0.00 175.10 174.89 1tnn n GLU 75 N 3.94 0.70 -3.03 4.82 -0.58 0.17 0.91 120.64 127.57 1tnn n GLU 75 Ca -0.20 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.39 1tnn n GLU 75 Cb 0.52 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 31.39 1tnn n GLU 75 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1tnn n ASN 76 N -2.53 0.50 -1.36 1.62 2.85 -0.45 -2.04 115.26 113.85 1tnn n ASN 76 Ca 0.00 -3.02 -0.03 0.00 -0.11 0.00 0.00 54.58 51.42 1tnn n ASN 76 Cb 0.00 -0.26 -0.01 0.00 1.24 0.00 0.00 39.78 40.74 1tnn n ASN 76 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1tnn n SER 77 N 0.20 -0.95 0.00 1.20 7.64 -1.26 -2.98 113.62 117.46 1tnn n SER 77 Ca 0.19 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1tnn n SER 77 Cb 0.70 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 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 -1.46 0.00 -0.90 1.43 4.07 -1.26 -4.99 120.64 117.53 1tnn n GLU 78 Ca -0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.07 1tnn n GLU 78 Cb 0.18 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.56 1tnn n GLU 78 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1tnn n GLY 79 N 0.00 6.16 3.28 8.31 0.00 -1.16 -5.16 105.19 116.62 1tnn n GLY 79 Ca 0.00 -2.11 -0.18 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.35 1.13 -0.38 1.61 -2.85 -1.26 -1.34 119.74 116.29 1tnn s LYS 80 Ca 0.00 -1.35 0.04 0.00 -1.00 0.00 0.00 55.97 53.66 1tnn s LYS 80 Cb 0.00 -0.99 0.18 0.00 -2.06 0.00 0.00 37.83 34.96 1tnn s LYS 80 CO 0.00 0.18 0.71 -0.65 0.10 0.00 0.00 175.35 175.69 1tnn s GLN 81 N -2.97 0.67 0.47 1.78 -0.21 0.26 -4.47 119.66 115.18 1tnn s GLN 81 Ca 0.13 -0.13 0.06 0.00 0.02 0.00 0.00 55.36 55.44 1tnn s GLN 81 Cb -0.04 0.10 -0.02 0.00 1.00 0.00 0.00 33.01 34.05 1tnn s GLN 81 CO 0.04 -0.99 0.20 -1.21 -2.12 0.00 0.00 175.29 171.20 1tnn s GLU 82 N 2.00 2.22 0.32 2.91 8.01 -1.25 -1.32 118.70 131.59 1tnn s GLU 82 Ca 0.15 -2.01 -0.02 0.00 0.01 0.00 0.00 54.97 53.10 1tnn s GLU 82 Cb -0.03 -1.91 0.01 0.00 -4.31 0.00 0.00 34.13 27.89 1tnn s GLU 82 CO -0.11 -0.29 0.46 0.00 0.01 0.00 0.00 175.26 175.33 1tnn n ALA 83 N -1.37 -0.39 -3.51 5.21 0.00 -0.33 -4.92 120.51 115.20 1tnn n ALA 83 Ca -0.05 -1.46 -0.16 0.00 0.00 0.00 0.00 53.44 51.77 1tnn n ALA 83 Cb 0.65 1.17 -0.07 0.00 0.00 0.00 0.00 19.45 21.21 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 -2.69 0.90 0.00 0.00 -1.05 -1.26 -2.01 118.70 112.60 1tnn s GLU 84 Ca 0.26 0.49 0.00 0.00 -0.15 0.00 0.00 54.97 55.57 1tnn s GLU 84 Cb -0.01 0.43 0.00 0.00 -0.44 0.00 0.00 34.13 34.11 1tnn s GLU 84 CO 0.18 -0.22 0.00 1.97 0.95 0.00 0.00 175.26 178.15 1tnn n PHE 85 N 1.70 0.00 -3.36 4.83 -1.74 -0.54 -4.95 117.46 113.40 1tnn n PHE 85 Ca -0.17 0.00 -0.03 0.00 -0.56 0.00 0.00 57.45 56.69 1tnn n PHE 85 Cb 0.56 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.51 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 -1.59 -0.81 -0.29 1.97 -1.32 -1.26 -1.07 115.64 111.27 1tnn s THR 86 Ca 0.00 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.43 1tnn s THR 86 Cb 0.00 -0.89 0.02 0.00 -1.51 0.00 0.00 72.50 70.12 1tnn s THR 86 CO 0.00 -0.03 0.04 -0.22 -2.21 0.00 0.00 174.62 172.20 1tnn s LEU 87 N 2.72 3.72 0.32 9.08 2.96 -0.31 -2.09 118.68 135.08 1tnn s LEU 87 Ca 0.11 -0.85 0.06 0.00 -0.22 0.00 0.00 54.13 53.23 1tnn s LEU 87 Cb -0.14 -1.80 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 1tnn s LEU 87 CO -0.18 -0.19 0.46 -0.89 -1.32 0.00 0.00 176.35 174.23 1tnn s THR 88 N 1.42 4.39 -0.15 3.68 2.01 -1.10 0.81 115.64 126.69 1tnn s THR 88 Ca 0.01 -0.95 -0.04 0.00 0.31 0.00 0.00 61.69 61.02 1tnn s THR 88 Cb -0.17 -3.54 0.06 0.00 0.01 0.00 0.00 72.50 68.86 1tnn s THR 88 CO 0.00 -0.22 0.11 0.27 -0.69 0.00 0.00 174.62 174.09 1tnn s ILE 89 N -2.16 -0.13 0.00 1.82 -0.00 -1.25 -1.58 121.20 117.91 1tnn s ILE 89 Ca 0.42 -0.05 0.00 0.00 -0.00 0.00 0.00 60.65 61.03 1tnn s ILE 89 Cb -0.09 -0.51 0.00 0.00 -0.00 0.00 0.00 42.46 41.85 1tnn s ILE 89 CO 0.31 -0.19 0.00 0.00 -0.00 0.00 0.00 174.94 175.07 1tnn n GLN 90 N 5.29 1.82 0.00 0.37 1.13 -0.70 -4.90 117.38 120.38 1tnn n GLN 90 Ca -0.06 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 1tnn n GLN 90 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.84 1tnn n GLN 90 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98