#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 0.00-11.13 -0.09 0.55 2.08 -1.26 -4.90 119.36 104.61 1tnn n ILE 2 Ca 0.00 1.49 -0.11 0.00 0.56 0.00 0.00 62.75 64.69 1tnn n ILE 2 Cb 0.00 -6.77 -0.04 0.00 -0.75 0.00 0.00 39.64 32.08 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 2.78 0.45 -7.09 1.39 4.07 -1.45 -3.44 115.31 112.01 1tnn h LEU 3 Ca -0.01 -0.30 -0.04 0.00 0.08 0.00 0.00 57.88 57.61 1tnn h LEU 3 Cb 0.36 -0.12 -0.25 0.00 1.08 0.00 0.00 40.66 41.73 1tnn h LEU 3 CO 0.13 0.63 -0.29 -0.89 -1.08 0.00 0.00 178.44 176.94 1tnn s THR 4 N -5.04 -0.70 0.38 0.22 2.01 -1.15 -4.96 115.64 106.41 1tnn s THR 4 Ca -0.14 0.11 -0.19 0.00 0.31 0.00 0.00 61.69 61.78 1tnn s THR 4 Cb 0.08 -0.77 -0.10 0.00 0.01 0.00 0.00 72.50 71.72 1tnn s THR 4 CO 0.75 0.05 0.87 -1.59 -0.69 0.00 0.00 174.62 174.01 1tnn s LYS 5 N 2.61 4.18 0.15 4.92 0.00 -1.26 -2.20 119.74 128.13 1tnn s LYS 5 Ca -0.04 0.98 -0.30 0.00 0.00 0.00 0.00 55.97 56.61 1tnn s LYS 5 Cb -0.12 -2.31 -0.08 0.00 0.00 0.00 0.00 37.83 35.33 1tnn s LYS 5 CO -0.15 0.06 1.23 -1.25 0.00 0.00 0.00 175.35 175.24 1tnn s PRO 6 N -3.02 4.45 0.00 1.78 0.04 -1.26 -4.97 135.00 132.01 1tnn s PRO 6 Ca 0.58 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.52 1tnn s PRO 6 Cb -0.10 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1tnn s PRO 6 CO 0.15 -0.19 0.00 -2.13 0.04 0.00 0.00 177.00 174.88 1tnn n ARG 7 N 3.02 1.51 -3.24 4.56 0.63 -1.26 -4.70 116.66 117.18 1tnn n ARG 7 Ca 0.06 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.89 1tnn n ARG 7 Cb 0.45 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.32 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 -0.50 0.00 6.15 7.64 -1.26 -4.34 113.62 121.30 1tnn n SER 8 Ca 0.00 -2.25 0.00 0.00 1.01 0.00 0.00 58.87 57.63 1tnn n SER 8 Cb 0.00 1.10 0.00 0.00 -1.01 0.00 0.00 64.21 64.30 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 -1.07 -3.33 1.43 0.00 -0.24 -4.93 117.12 108.62 1tnn n MET 9 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.62 1tnn n MET 9 Cb 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.50 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 -3.00 -0.57 0.00 3.17 2.01 -1.26 -2.39 115.64 113.60 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 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.54 1tnn s THR 10 CO 0.00 -0.34 0.00 1.33 -0.69 0.00 0.00 174.62 174.92 1tnn n VAL 11 N 5.29 0.00 -0.06 3.82 0.24 0.38 -4.84 118.33 123.16 1tnn n VAL 11 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.22 1tnn n VAL 11 Cb 0.48 -1.34 -0.03 0.00 -1.47 0.00 0.00 33.84 31.49 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 -1.01 0.00 -3.21 6.34 4.01 -1.26 -1.52 117.16 120.51 1tnn n TYR 12 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.78 1tnn n TYR 12 Cb 0.00 -0.41 -0.02 0.00 -0.31 0.00 0.00 39.34 38.60 1tnn n TYR 12 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1tnn s GLU 13 N -2.57 0.21 -1.72 -0.72 -1.05 -1.26 -2.75 118.70 108.84 1tnn s GLU 13 Ca -0.21 0.43 0.00 0.00 -0.15 0.00 0.00 54.97 55.03 1tnn s GLU 13 Cb 0.04 0.24 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 1tnn s GLU 13 CO 0.30 -0.18 0.00 0.41 0.95 0.00 0.00 175.26 176.74 1tnn n GLY 14 N 5.28 1.57 0.00 -3.83 0.00 -1.26 -4.91 105.19 102.04 1tnn n GLY 14 Ca -0.07 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1tnn n GLY 14 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1tnn n GLU 15 N -1.90 2.71 0.00 1.61 -0.58 -1.26 -4.43 120.64 116.80 1tnn n GLU 15 Ca -0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 1tnn n GLU 15 Cb 0.61 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.48 1tnn n GLU 15 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1tnn n SER 16 N 0.00 0.00 -2.24 1.62 7.64 -1.26 -4.18 113.62 115.20 1tnn n SER 16 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.71 1tnn n SER 16 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 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 -0.61 -2.51 -0.43 0.00 -1.26 -4.10 120.51 108.60 1tnn n ALA 17 Ca 0.00 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.19 1tnn n ALA 17 Cb 0.00 -1.86 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 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 -4.73 4.55 -0.46 0.00 3.00 -1.26 -2.00 118.95 118.05 1tnn s ARG 18 Ca 0.00 1.54 0.03 0.00 0.00 0.00 0.00 55.73 57.29 1tnn s ARG 18 Cb 0.00 -3.40 0.15 0.00 0.00 0.00 0.00 34.95 31.69 1tnn s ARG 18 CO 0.00 -0.05 0.29 -0.06 0.00 0.00 0.00 175.30 175.48 1tnn s PHE 19 N 0.75 1.90 -0.09 -0.53 0.08 -0.29 -4.95 117.98 114.85 1tnn s PHE 19 Ca 0.53 -2.45 -0.18 0.00 0.12 0.00 0.00 56.93 54.95 1tnn s PHE 19 Cb -0.24 -1.72 -0.04 0.00 -0.57 0.00 0.00 43.02 40.45 1tnn s PHE 19 CO 0.29 -0.76 0.49 0.45 -0.10 0.00 0.00 175.22 175.59 1tnn s SER 20 N 0.13 6.74 0.32 1.36 0.15 -1.26 -1.88 113.70 119.26 1tnn s SER 20 Ca 0.21 0.88 0.08 0.00 0.70 0.00 0.00 55.95 57.83 1tnn s SER 20 Cb -0.16 -2.30 -0.06 0.00 -1.71 0.00 0.00 66.02 61.79 1tnn s SER 20 CO -0.06 0.04 -0.08 0.00 1.20 0.00 0.00 173.24 174.35 1tnn s ASP 22 N -3.54 1.89 -0.24 0.00 2.15 -0.93 -0.62 116.67 115.38 1tnn s ASP 22 Ca 0.31 -0.57 -0.21 0.00 0.43 0.00 0.00 52.55 52.52 1tnn s ASP 22 Cb 0.03 -0.10 0.06 0.00 -0.30 0.00 0.00 42.92 42.62 1tnn s ASP 22 CO 0.15 0.00 0.62 0.42 -0.17 0.00 0.00 175.17 176.19 1tnn s THR 23 N -1.07 -0.00 0.62 1.71 -4.23 -0.91 -1.12 115.64 110.64 1tnn s THR 23 Ca 0.01 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.48 1tnn s THR 23 Cb -0.09 -0.87 0.03 0.00 1.34 0.00 0.00 72.50 72.91 1tnn s THR 23 CO 0.02 0.00 0.91 -0.62 -0.54 0.00 0.00 174.62 174.39 1tnn s ASP 24 N 0.44 5.25 -0.07 3.99 2.15 -1.26 -4.70 116.67 122.48 1tnn s ASP 24 Ca -0.01 0.46 -0.31 0.00 0.43 0.00 0.00 52.55 53.12 1tnn s ASP 24 Cb -0.05 -1.32 0.11 0.00 -0.30 0.00 0.00 42.92 41.37 1tnn s ASP 24 CO -0.01 -1.26 1.01 -0.83 -0.17 0.00 0.00 175.17 173.91 1tnn s GLY 25 N -4.40 -0.40 -0.35 2.66 0.00 -1.26 -4.17 107.32 99.40 1tnn s GLY 25 Ca 0.56 1.19 0.00 0.00 0.00 0.00 0.00 44.72 46.48 1tnn s GLY 25 CO 0.43 0.39 0.26 1.85 0.00 0.00 0.00 173.10 176.03 1tnn s GLU 26 N -2.87 0.52 -0.12 2.90 -6.30 -1.26 -3.17 118.70 108.40 1tnn s GLU 26 Ca 0.07 -1.02 -0.08 0.00 -2.50 0.00 0.00 54.97 51.43 1tnn s GLU 26 Cb -0.01 -1.06 -0.04 0.00 0.00 0.00 0.00 34.13 33.01 1tnn s GLU 26 CO -0.07 -1.17 0.17 -1.25 0.02 0.00 0.00 175.26 172.95 1tnn s PRO 27 N 1.38 3.61 0.08 4.30 0.04 -1.26 -4.46 135.00 138.69 1tnn s PRO 27 Ca 0.16 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.11 1tnn s PRO 27 Cb -0.19 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1tnn s PRO 27 CO -0.07 0.69 0.00 0.28 0.04 0.00 0.00 177.00 177.94 1tnn n VAL 28 N 2.23 -9.80 -0.34 -0.36 0.31 -1.19 -4.72 118.33 104.47 1tnn n VAL 28 Ca -0.19 2.40 0.00 0.00 -0.01 0.00 0.00 64.34 66.54 1tnn n VAL 28 Cb 0.54 -4.50 0.00 0.00 -0.91 0.00 0.00 33.84 28.97 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 1.88 0.51 -4.18 5.55 -0.04 -1.26 -4.41 135.00 133.04 1tnn n PRO 29 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 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 -0.39 0.64 0.08 0.52 2.01 -0.88 -4.91 115.64 112.72 1tnn s THR 30 Ca 0.00 -1.94 0.03 0.00 0.31 0.00 0.00 61.69 60.09 1tnn s THR 30 Cb 0.00 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 1tnn s THR 30 CO 0.00 -0.76 -0.09 0.54 -0.69 0.00 0.00 174.62 173.62 1tnn s VAL 31 N -3.67 0.81 -0.44 3.82 0.11 -1.26 -0.66 120.40 119.12 1tnn s VAL 31 Ca 0.15 -1.52 0.05 0.00 -2.93 0.00 0.00 61.98 57.74 1tnn s VAL 31 Cb 0.06 -1.20 0.17 0.00 -1.53 0.00 0.00 36.38 33.88 1tnn s VAL 31 CO -0.02 -0.54 0.52 -0.89 -3.33 0.00 0.00 175.10 170.84 1tnn s THR 32 N -2.27 -0.50 0.43 5.04 2.01 0.22 -4.92 115.64 115.64 1tnn s THR 32 Ca 0.02 -1.22 -0.26 0.00 0.31 0.00 0.00 61.69 60.53 1tnn s THR 32 Cb -0.04 -0.48 -0.09 0.00 0.01 0.00 0.00 72.50 71.90 1tnn s THR 32 CO -0.00 -0.45 1.44 0.26 -0.69 0.00 0.00 174.62 175.18 1tnn s TRP 33 N 0.99 2.51 -0.29 4.92 0.52 -1.26 -1.83 118.94 124.49 1tnn s TRP 33 Ca 0.25 1.23 -0.17 0.00 0.02 0.00 0.00 56.10 57.44 1tnn s TRP 33 Cb -0.04 -3.95 0.17 0.00 -1.15 0.00 0.00 33.47 28.49 1tnn s TRP 33 CO -0.08 -2.94 1.08 -0.48 0.02 0.00 0.00 176.95 174.54 1tnn s LEU 34 N -2.51 -0.36 -0.26 2.99 0.05 -0.62 -2.31 118.68 115.66 1tnn s LEU 34 Ca 0.58 0.58 -0.04 0.00 0.05 0.00 0.00 54.13 55.30 1tnn s LEU 34 Cb -0.45 1.53 0.01 0.00 -2.05 0.00 0.00 46.19 45.24 1tnn s LEU 34 CO 0.58 -0.09 -0.01 -0.60 -0.55 0.00 0.00 176.35 175.69 1tnn s ARG 35 N 1.17 3.00 -1.61 1.48 6.06 -1.26 -2.87 118.95 124.92 1tnn s ARG 35 Ca -0.08 -0.88 0.00 0.00 -2.50 0.00 0.00 55.73 52.27 1tnn s ARG 35 Cb -0.03 -3.13 0.00 0.00 0.06 0.00 0.00 34.95 31.85 1tnn s ARG 35 CO -0.13 -0.39 0.00 1.63 -2.50 0.00 0.00 175.30 173.91 1tnn n LYS 36 N 4.76 -1.57 -2.68 5.12 5.02 -1.26 -2.86 118.16 124.69 1tnn n LYS 36 Ca -0.16 0.90 -0.05 0.00 -2.02 0.00 0.00 58.31 56.98 1tnn n LYS 36 Cb 0.48 -5.31 0.01 0.00 -0.02 0.00 0.00 35.03 30.18 1tnn n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1tnn n GLY 37 N -0.50 -1.18 0.86 0.72 0.00 -1.26 -4.99 105.19 98.84 1tnn n GLY 37 Ca -0.17 0.87 0.02 0.00 0.00 0.00 0.00 46.02 46.74 1tnn n GLY 37 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tnn n GLN 38 N -0.67 0.16 -1.68 1.61 6.02 -1.14 -5.09 117.38 116.59 1tnn n GLN 38 Ca 0.07 -1.60 0.00 0.00 -0.01 0.00 0.00 57.00 55.46 1tnn n GLN 38 Cb 0.42 -0.43 0.00 0.00 1.02 0.00 0.00 30.24 31.25 1tnn n GLN 38 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1tnn n VAL 39 N 0.05 -0.46 0.53 5.09 0.24 -1.25 -4.74 118.33 117.80 1tnn n VAL 39 Ca 0.04 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.41 1tnn n VAL 39 Cb 0.87 -1.35 0.31 0.00 -1.47 0.00 0.00 33.84 32.20 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 1.89 0.00 0.00 1.34 4.32 -0.98 -4.67 117.00 118.90 1tnn n LEU 40 Ca 0.00 0.43 0.00 0.00 -0.02 0.00 0.00 56.01 56.42 1tnn n LEU 40 Cb 0.00 -0.43 0.00 0.00 -1.62 0.00 0.00 43.42 41.37 1tnn n LEU 40 CO 0.00 -0.23 0.00 -1.54 -1.22 0.00 0.00 177.39 174.40 1tnn n SER 41 N -1.43 -0.07 -3.61 -1.43 3.41 -1.26 -4.49 113.62 104.75 1tnn n SER 41 Ca 0.04 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.25 1tnn n SER 41 Cb 0.14 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.09 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 -0.60 4.72 0.05 6.66 -2.24 -1.26 -4.01 114.28 117.60 1tnn n THR 42 Ca 0.00 -4.08 0.01 0.00 -2.27 0.00 0.00 64.05 57.71 1tnn n THR 42 Cb 0.00 -2.27 -0.01 0.00 -2.10 0.00 0.00 70.33 65.95 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 2.93 2.23 0.03 3.42 7.64 -1.26 -4.91 113.62 123.71 1tnn n SER 43 Ca 0.56 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1tnn n SER 43 Cb 0.29 1.04 0.00 0.00 -1.01 0.00 0.00 64.21 64.54 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 -1.29 2.97 -1.54 -0.43 0.00 -1.26 -5.03 120.51 113.92 1tnn n ALA 44 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1tnn n ALA 44 Cb 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.48 1tnn n ALA 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1tnn n ARG 45 N -2.73 0.00 -3.93 0.00 0.63 -1.26 -4.89 116.66 104.48 1tnn n ARG 45 Ca 0.00 -0.07 -0.21 0.00 -0.92 0.00 0.00 57.85 56.65 1tnn n ARG 45 Cb 0.00 0.49 -0.04 0.00 0.45 0.00 0.00 32.46 33.37 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 0.00 3.06 -0.86 -0.14 3.76 -1.26 -3.96 115.29 115.89 1tnn s HIS 46 Ca 0.00 -0.19 0.01 0.00 -0.15 0.00 0.00 55.06 54.73 1tnn s HIS 46 Cb 0.00 -1.62 0.30 0.00 1.11 0.00 0.00 32.58 32.37 1tnn s HIS 46 CO -0.00 0.34 1.27 0.94 -0.85 0.00 0.00 174.74 176.44 1tnn n GLN 47 N -1.31 3.96 -1.85 1.40 7.27 -0.61 -4.46 117.38 121.77 1tnn n GLN 47 Ca -0.05 -4.67 -0.31 0.00 0.07 0.00 0.00 57.00 52.03 1tnn n GLN 47 Cb 0.59 -2.38 0.02 0.00 2.41 0.00 0.00 30.24 30.87 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 -3.38 4.25 0.08 1.69 -7.23 -1.26 -2.10 120.40 112.46 1tnn s VAL 48 Ca 0.39 0.84 -0.26 0.00 -1.81 0.00 0.00 61.98 61.13 1tnn s VAL 48 Cb 0.15 -3.57 0.09 0.00 0.56 0.00 0.00 36.38 33.61 1tnn s VAL 48 CO -0.02 -0.85 1.16 0.28 -0.31 0.00 0.00 175.10 175.35 1tnn s THR 49 N -2.92 0.00 -0.21 5.32 -1.32 0.24 -4.90 115.64 111.86 1tnn s THR 49 Ca 0.58 -0.39 -0.27 0.00 -1.21 0.00 0.00 61.69 60.41 1tnn s THR 49 Cb -0.13 -2.77 0.08 0.00 -1.51 0.00 0.00 72.50 68.17 1tnn s THR 49 CO 0.48 0.00 0.77 -0.89 -2.21 0.00 0.00 174.62 172.78 1tnn s THR 50 N -2.20 0.00 0.00 5.08 2.01 -1.26 -1.79 115.64 117.49 1tnn s THR 50 Ca 0.23 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.23 1tnn s THR 50 Cb -0.01 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.50 1tnn s THR 50 CO 0.02 0.00 0.00 1.07 -0.69 0.00 0.00 174.62 175.02 1tnn n THR 51 N 2.04 0.00 0.00 -0.82 5.66 -0.61 -4.96 114.28 115.59 1tnn n THR 51 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1tnn n THR 51 Cb 0.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 1tnn n THR 51 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1tnn n LYS 52 N 0.00 0.00 -0.28 1.09 4.81 -1.26 -3.74 118.16 118.78 1tnn n LYS 52 Ca 0.00 0.52 0.07 0.00 -0.87 0.00 0.00 58.31 58.03 1tnn n LYS 52 Cb 0.00 -0.91 0.10 0.00 0.02 0.00 0.00 35.03 34.24 1tnn n LYS 52 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1tnn n TYR 53 N -1.57 0.00 -3.71 5.64 4.02 -1.26 -4.83 117.16 115.45 1tnn n TYR 53 Ca 0.00 -0.72 -0.12 0.00 -0.01 0.00 0.00 57.90 57.06 1tnn n TYR 53 Cb 0.00 -0.13 -0.12 0.00 -0.02 0.00 0.00 39.34 39.07 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 -1.95 0.26 0.61 -0.72 1.02 -1.25 -2.14 119.74 115.57 1tnn s LYS 54 Ca 0.23 0.65 0.08 0.00 0.02 0.00 0.00 55.97 56.95 1tnn s LYS 54 Cb 0.21 -0.06 0.10 0.00 -0.52 0.00 0.00 37.83 37.55 1tnn s LYS 54 CO 0.01 -0.18 0.84 0.45 -0.92 0.00 0.00 175.35 175.54 1tnn s SER 55 N 1.49 4.94 -0.26 2.83 0.15 0.21 -1.57 113.70 121.49 1tnn s SER 55 Ca -0.08 -0.76 -0.12 0.00 0.70 0.00 0.00 55.95 55.68 1tnn s SER 55 Cb -0.10 0.26 0.09 0.00 -1.71 0.00 0.00 66.02 64.56 1tnn s SER 55 CO -0.10 -1.46 0.61 0.42 1.20 0.00 0.00 173.24 173.91 1tnn s THR 56 N -2.76 -0.31 -0.18 6.45 -4.23 -0.74 -1.48 115.64 112.38 1tnn s THR 56 Ca 0.63 0.03 -0.01 0.00 -1.18 0.00 0.00 61.69 61.16 1tnn s THR 56 Cb -0.06 -0.90 0.05 0.00 1.34 0.00 0.00 72.50 72.94 1tnn s THR 56 CO 0.40 0.01 -0.01 0.12 -0.54 0.00 0.00 174.62 174.61 1tnn s PHE 57 N 2.00 1.45 -0.12 3.99 5.36 -0.79 0.82 117.98 130.69 1tnn s PHE 57 Ca -0.08 -1.03 0.01 0.00 -0.96 0.00 0.00 56.93 54.87 1tnn s PHE 57 Cb -0.08 -1.19 -0.01 0.00 -0.34 0.00 0.00 43.02 41.39 1tnn s PHE 57 CO -0.18 -0.62 -0.15 -1.21 -1.46 0.00 0.00 175.22 171.60 1tnn s GLU 58 N 1.72 3.24 -1.17 10.12 2.02 -0.89 -1.14 118.70 132.60 1tnn s GLU 58 Ca -0.01 -0.72 -0.08 0.00 0.02 0.00 0.00 54.97 54.18 1tnn s GLU 58 Cb -0.16 -2.55 0.24 0.00 0.10 0.00 0.00 34.13 31.75 1tnn s GLU 58 CO -0.07 0.25 1.54 -0.89 0.02 0.00 0.00 175.26 176.11 1tnn n ILE 59 N 3.40 4.75 -0.73 -1.63 5.41 -0.85 -1.58 119.36 128.13 1tnn n ILE 59 Ca -0.18 -5.19 -0.03 0.00 1.00 0.00 0.00 62.75 58.35 1tnn n ILE 59 Cb 0.53 -2.31 0.29 0.00 -0.71 0.00 0.00 39.64 37.44 1tnn n ILE 59 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1tnn n SER 60 N 2.97 4.63 -1.74 4.38 2.88 -1.26 -4.08 113.62 121.41 1tnn n SER 60 Ca 0.32 -3.00 -0.03 0.00 -1.33 0.00 0.00 58.87 54.83 1tnn n SER 60 Cb 0.36 -0.71 0.03 0.00 -0.75 0.00 0.00 64.21 63.15 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 -0.95 -4.61 -3.46 2.88 -1.26 -4.53 113.62 101.75 1tnn n SER 61 Ca 0.33 -1.73 -0.46 0.00 -1.33 0.00 0.00 58.87 55.68 1tnn n SER 61 Cb 1.22 0.39 -0.02 0.00 -0.75 0.00 0.00 64.21 65.05 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 -0.67 1.46 0.00 2.46 3.14 -1.25 -4.70 118.33 118.76 1tnn n VAL 62 Ca -0.17 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 60.85 1tnn n VAL 62 Cb 0.70 -1.10 0.00 0.00 -1.06 0.00 0.00 33.84 32.38 1tnn n VAL 62 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1tnn n GLN 63 N 1.27 0.75 0.22 1.45 7.27 -1.26 -4.69 117.38 122.40 1tnn n GLN 63 Ca 0.11 0.00 0.14 0.00 0.07 0.00 0.00 57.00 57.32 1tnn n GLN 63 Cb 0.30 0.00 0.75 0.00 2.41 0.00 0.00 30.24 33.70 1tnn n GLN 63 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1tnn h ALA 64 N -2.02 1.04 0.00 1.69 0.00 -2.01 -3.40 119.26 114.56 1tnn h ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1tnn h ALA 64 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1tnn h ALA 64 CO 0.00 -0.04 0.00 -1.13 0.00 0.00 0.00 179.25 178.08 1tnn n SER 65 N -2.50 0.00 -0.21 0.00 3.41 -1.26 -4.92 113.62 108.14 1tnn n SER 65 Ca -0.02 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.68 1tnn n SER 65 Cb 0.10 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.19 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 2.06 -0.13 4.04 9.92 -1.26 -5.11 116.55 126.07 1tnn n ASP 66 Ca 0.00 -3.14 0.01 0.00 -0.53 0.00 0.00 54.79 51.13 1tnn n ASP 66 Cb 0.00 -0.43 -0.00 0.00 -0.64 0.00 0.00 41.12 40.05 1tnn n ASP 66 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1tnn n GLU 67 N -1.25 -0.10 0.00 -1.24 0.28 -1.26 -4.89 120.64 112.18 1tnn n GLU 67 Ca 0.15 0.07 0.00 0.00 -0.16 0.00 0.00 57.16 57.22 1tnn n GLU 67 Cb 0.66 -0.12 0.00 0.00 1.43 0.00 0.00 31.44 33.41 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 -0.28 -0.10 0.03 -1.84 0.00 -1.12 -4.43 105.19 97.45 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 -1.61 0.00 -4.14 1.61 3.02 -1.26 -2.89 115.26 109.99 1tnn n ASN 69 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.32 1tnn n ASN 69 Cb 0.00 -0.01 -0.15 0.00 -0.61 0.00 0.00 39.78 39.01 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 0.08 1.40 0.47 3.10 2.02 0.12 -4.66 117.35 119.88 1tnn s TYR 70 Ca 0.01 -0.28 0.02 0.00 -0.37 0.00 0.00 57.07 56.45 1tnn s TYR 70 Cb -0.01 -0.89 -0.02 0.00 -0.40 0.00 0.00 41.96 40.64 1tnn s TYR 70 CO 0.00 -0.01 0.06 -1.54 -1.57 0.00 0.00 175.55 172.49 1tnn s SER 71 N -0.50 3.58 -0.20 2.29 1.04 -1.14 -0.90 113.70 117.88 1tnn s SER 71 Ca 0.06 -1.68 -0.05 0.00 0.48 0.00 0.00 55.95 54.76 1tnn s SER 71 Cb -0.06 0.55 0.07 0.00 0.10 0.00 0.00 66.02 66.67 1tnn s SER 71 CO -0.00 -0.90 0.09 0.54 0.98 0.00 0.00 173.24 173.95 1tnn s VAL 72 N -3.01 -0.03 -0.48 5.02 0.11 -0.76 -1.59 120.40 119.66 1tnn s VAL 72 Ca 0.13 -0.33 -0.25 0.00 -2.93 0.00 0.00 61.98 58.60 1tnn s VAL 72 Cb 0.02 -0.70 0.03 0.00 -1.53 0.00 0.00 36.38 34.19 1tnn s VAL 72 CO 0.08 -0.37 0.93 -0.69 -3.33 0.00 0.00 175.10 171.72 1tnn s VAL 73 N 2.10 4.45 -0.29 2.04 1.01 -0.76 -0.59 120.40 128.36 1tnn s VAL 73 Ca 0.03 0.68 -0.03 0.00 0.00 0.00 0.00 61.98 62.66 1tnn s VAL 73 Cb -0.16 -4.45 0.03 0.00 0.00 0.00 0.00 36.38 31.80 1tnn s VAL 73 CO -0.15 -0.88 0.01 -0.69 0.00 0.00 0.00 175.10 173.39 1tnn s VAL 74 N 3.80 3.22 0.00 2.92 1.01 0.24 0.68 120.40 132.27 1tnn s VAL 74 Ca 0.36 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1tnn s VAL 74 Cb -0.10 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1tnn s VAL 74 CO 0.25 0.02 0.00 -0.62 0.00 0.00 0.00 175.10 174.75 1tnn n GLU 75 N 4.70 0.40 -3.81 2.72 1.02 0.16 -0.47 120.64 125.37 1tnn n GLU 75 Ca -0.14 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 56.90 1tnn n GLU 75 Cb 0.45 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.82 1tnn n GLU 75 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1tnn s ASN 76 N -1.00 -0.08 0.65 1.62 2.47 -0.34 -2.06 114.94 116.20 1tnn s ASN 76 Ca 0.00 -0.61 0.29 0.00 0.42 0.00 0.00 52.86 52.96 1tnn s ASN 76 Cb 0.00 0.46 1.59 0.00 -1.45 0.00 0.00 41.25 41.85 1tnn s ASN 76 CO 0.00 -0.89 1.89 0.28 -3.72 0.00 0.00 177.10 174.66 1tnn h SER 77 N 2.46 0.00 -0.25 -4.21 0.02 -1.78 -2.90 113.55 106.89 1tnn h SER 77 Ca -0.32 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.40 1tnn h SER 77 Cb 1.24 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.54 1tnn h SER 77 CO 0.47 0.00 -0.60 1.21 -1.14 0.00 0.00 176.83 176.77 1tnn n GLU 78 N -2.85 1.34 -2.45 3.45 2.13 -1.26 -5.00 120.64 116.00 1tnn n GLU 78 Ca -0.02 -2.16 0.01 0.00 0.66 0.00 0.00 57.16 55.65 1tnn n GLU 78 Cb 0.38 -0.36 0.00 0.00 0.27 0.00 0.00 31.44 31.73 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 -0.82 0.40 3.25 8.31 0.00 -1.10 -5.16 105.19 110.07 1tnn n GLY 79 Ca -0.04 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.00 0.53 0.32 1.61 2.20 -1.26 -1.20 119.74 119.94 1tnn s LYS 80 Ca 0.08 0.22 -0.00 0.00 -0.36 0.00 0.00 55.97 55.90 1tnn s LYS 80 Cb -0.00 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.57 1tnn s LYS 80 CO -0.01 -0.11 0.41 1.04 -0.36 0.00 0.00 175.35 176.33 1tnn n GLN 81 N 2.20 0.59 -3.69 4.03 3.00 0.38 -4.93 117.38 118.97 1tnn n GLN 81 Ca -0.17 -2.64 -0.00 0.00 -0.01 0.00 0.00 57.00 54.18 1tnn n GLN 81 Cb 0.57 2.46 -0.01 0.00 0.00 0.00 0.00 30.24 33.26 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 -2.82 0.73 0.36 -1.09 -1.05 -1.26 -0.59 118.70 112.98 1tnn s GLU 82 Ca 0.28 -0.41 0.00 0.00 -0.15 0.00 0.00 54.97 54.69 1tnn s GLU 82 Cb -0.00 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 33.93 1tnn s GLU 82 CO 0.20 -0.34 0.46 0.00 0.95 0.00 0.00 175.26 176.54 1tnn n ALA 83 N -0.50 -0.12 -3.39 -0.84 0.00 0.24 -4.88 120.51 111.02 1tnn n ALA 83 Ca -0.07 -1.75 -0.15 0.00 0.00 0.00 0.00 53.44 51.47 1tnn n ALA 83 Cb 0.62 1.41 -0.05 0.00 0.00 0.00 0.00 19.45 21.43 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 -2.95 1.05 0.00 0.00 -1.05 -1.26 -1.84 118.70 112.65 1tnn s GLU 84 Ca 0.32 -0.08 0.00 0.00 -0.15 0.00 0.00 54.97 55.07 1tnn s GLU 84 Cb -0.00 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 34.17 1tnn s GLU 84 CO 0.23 -0.37 0.00 1.97 0.95 0.00 0.00 175.26 178.05 1tnn n PHE 85 N 0.56 0.00 -3.92 4.83 -1.74 -0.07 -4.88 117.46 112.23 1tnn n PHE 85 Ca -0.19 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.62 1tnn n PHE 85 Cb 0.59 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.56 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 -2.18 0.00 -0.41 1.97 -4.23 -1.26 -0.70 115.64 108.83 1tnn s THR 86 Ca 0.00 -1.19 -0.01 0.00 -1.18 0.00 0.00 61.69 59.31 1tnn s THR 86 Cb 0.00 -2.17 0.20 0.00 1.34 0.00 0.00 72.50 71.87 1tnn s THR 86 CO 0.00 0.00 0.90 -0.22 -0.54 0.00 0.00 174.62 174.76 1tnn s LEU 87 N -2.98 -0.85 1.00 4.79 2.96 -1.14 -1.08 118.68 121.39 1tnn s LEU 87 Ca 0.17 -0.82 -0.17 0.00 -0.22 0.00 0.00 54.13 53.09 1tnn s LEU 87 Cb -0.04 1.10 0.22 0.00 0.50 0.00 0.00 46.19 47.98 1tnn s LEU 87 CO 0.09 -0.05 1.31 -0.89 -1.32 0.00 0.00 176.35 175.49 1tnn s THR 88 N 1.24 1.95 -0.05 3.68 2.01 -1.01 -2.80 115.64 120.66 1tnn s THR 88 Ca 0.23 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.21 1tnn s THR 88 Cb 0.05 -2.95 0.04 0.00 0.01 0.00 0.00 72.50 69.65 1tnn s THR 88 CO -0.09 0.00 0.10 0.27 -0.69 0.00 0.00 174.62 174.21 1tnn s ILE 89 N -3.83 -0.10 -1.34 1.82 -0.00 -1.25 -0.47 121.20 116.03 1tnn s ILE 89 Ca 0.75 0.26 -0.14 0.00 -0.00 0.00 0.00 60.65 61.52 1tnn s ILE 89 Cb -0.04 -0.19 0.10 0.00 -0.00 0.00 0.00 42.46 42.33 1tnn s ILE 89 CO 0.54 0.11 1.92 0.00 -0.00 0.00 0.00 174.94 177.50 1tnn n GLN 90 N 4.58 3.19 0.00 0.37 1.13 -0.57 -4.93 117.38 121.15 1tnn n GLN 90 Ca -0.19 -3.16 0.00 0.00 -1.94 0.00 0.00 57.00 51.71 1tnn n GLN 90 Cb 0.51 -3.22 0.00 0.00 0.11 0.00 0.00 30.24 27.64 1tnn n GLN 90 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98