#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 0.00-10.31 0.04 5.15 2.08 -1.26 -4.87 119.36 110.19 1tnn n ILE 2 Ca 0.00 1.30 -0.11 0.00 0.56 0.00 0.00 62.75 64.50 1tnn n ILE 2 Cb 0.00 -6.49 -0.04 0.00 -0.75 0.00 0.00 39.64 32.36 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 2.69 -0.40 -7.37 1.39 4.07 -1.84 -3.44 115.31 110.42 1tnn h LEU 3 Ca -0.04 0.06 -0.13 0.00 0.08 0.00 0.00 57.88 57.86 1tnn h LEU 3 Cb 0.52 0.17 -0.23 0.00 1.08 0.00 0.00 40.66 42.21 1tnn h LEU 3 CO 0.13 -0.19 -0.26 -0.89 -1.08 0.00 0.00 178.44 176.16 1tnn s THR 4 N -6.15 0.01 0.10 0.22 2.01 -1.25 -4.94 115.64 105.64 1tnn s THR 4 Ca -0.14 -0.10 -0.07 0.00 0.31 0.00 0.00 61.69 61.68 1tnn s THR 4 Cb 0.09 -0.56 -0.06 0.00 0.01 0.00 0.00 72.50 71.98 1tnn s THR 4 CO 0.67 -0.06 0.38 -0.75 -0.69 0.00 0.00 174.62 174.17 1tnn s LYS 5 N -0.16 3.68 0.51 4.92 2.20 -1.26 -2.11 119.74 127.52 1tnn s LYS 5 Ca -0.03 0.04 -0.20 0.00 -0.36 0.00 0.00 55.97 55.41 1tnn s LYS 5 Cb -0.03 -2.94 -0.07 0.00 -1.51 0.00 0.00 37.83 33.28 1tnn s LYS 5 CO 0.02 0.53 1.09 -1.25 -0.36 0.00 0.00 175.35 175.37 1tnn s PRO 6 N -2.22 3.58 0.00 4.03 0.04 -1.26 -4.95 135.00 134.21 1tnn s PRO 6 Ca 0.36 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1tnn s PRO 6 Cb -0.13 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1tnn s PRO 6 CO 0.20 -0.64 0.00 2.89 0.04 0.00 0.00 177.00 179.49 1tnn n ARG 7 N -1.12 0.88 -4.07 4.56 1.85 -1.26 -4.95 116.66 112.55 1tnn n ARG 7 Ca 0.10 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.85 1tnn n ARG 7 Cb 0.52 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.86 1tnn n ARG 7 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1tnn s SER 8 N -1.07 0.12 0.00 2.89 0.01 -1.26 -4.71 113.70 109.68 1tnn s SER 8 Ca 0.00 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 56.12 1tnn s SER 8 Cb 0.00 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.77 1tnn s SER 8 CO 0.00 -1.08 0.00 1.15 0.41 0.00 0.00 173.24 173.72 1tnn n MET 9 N -0.38 -2.36 -3.76 12.44 0.00 -0.77 -4.98 117.12 117.32 1tnn n MET 9 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 57.70 57.41 1tnn n MET 9 Cb 0.63 0.00 -0.16 0.00 0.00 0.00 0.00 33.22 33.69 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 -2.47 0.71 0.00 3.17 2.01 -1.26 -2.66 115.64 115.13 1tnn s THR 10 Ca 0.00 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.19 1tnn s THR 10 Cb 0.00 -1.25 0.00 0.00 0.01 0.00 0.00 72.50 71.26 1tnn s THR 10 CO 0.00 -0.30 0.00 1.33 -0.69 0.00 0.00 174.62 174.96 1tnn n VAL 11 N 4.97 0.00 -0.01 3.82 0.24 -0.27 -4.90 118.33 122.18 1tnn n VAL 11 Ca -0.08 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.18 1tnn n VAL 11 Cb 0.46 -0.52 -0.01 0.00 -1.47 0.00 0.00 33.84 32.30 1tnn n VAL 11 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1tnn n TYR 12 N -0.14 0.00 -2.68 6.34 4.02 -1.26 -1.47 117.16 121.97 1tnn n TYR 12 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.84 1tnn n TYR 12 Cb 0.00 -0.22 0.06 0.00 -0.02 0.00 0.00 39.34 39.16 1tnn n TYR 12 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1tnn n GLU 13 N -3.91 0.21 -0.44 -0.72 2.13 -1.26 -3.01 120.64 113.64 1tnn n GLU 13 Ca -0.06 -0.89 0.00 0.00 0.66 0.00 0.00 57.16 56.87 1tnn n GLU 13 Cb 0.23 -0.35 0.00 0.00 0.27 0.00 0.00 31.44 31.59 1tnn n GLU 13 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1tnn n GLY 14 N 1.79 1.39 0.65 8.31 0.00 -1.26 -3.88 105.19 112.19 1tnn n GLY 14 Ca 0.05 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.33 1.86 0.00 1.61 0.00 -1.26 -4.65 120.64 116.86 1tnn n GLU 15 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 57.16 55.85 1tnn n GLU 15 Cb 0.09 -1.47 0.00 0.00 0.00 0.00 0.00 31.44 30.06 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 0.57 0.00 0.00 4.31 7.64 -1.26 -5.01 113.62 119.87 1tnn n SER 16 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1tnn n SER 16 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.00 0.00 -0.89 -0.43 0.00 -1.26 -4.93 120.51 113.00 1tnn n ALA 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1tnn n ALA 17 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1tnn n ALA 17 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1tnn n ARG 18 N 14.00 -2.52 -3.35 0.00 0.00 -1.26 -5.00 116.66 118.52 1tnn n ARG 18 Ca 0.00 1.84 -0.24 0.00 -0.00 0.00 0.00 57.85 59.45 1tnn n ARG 18 Cb 0.00 -2.04 -0.09 0.00 0.00 0.00 0.00 32.46 30.32 1tnn n ARG 18 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1tnn s PHE 19 N -1.93 0.54 -0.47 -0.14 0.08 0.37 -4.89 117.98 111.53 1tnn s PHE 19 Ca 0.00 -1.75 -0.21 0.00 0.12 0.00 0.00 56.93 55.09 1tnn s PHE 19 Cb 0.00 -0.73 0.03 0.00 -0.57 0.00 0.00 43.02 41.75 1tnn s PHE 19 CO 0.00 -0.89 0.70 0.45 -0.10 0.00 0.00 175.22 175.38 1tnn s SER 20 N 0.63 6.32 0.36 1.36 0.15 -1.26 -2.07 113.70 119.19 1tnn s SER 20 Ca 0.26 -0.43 0.07 0.00 0.70 0.00 0.00 55.95 56.55 1tnn s SER 20 Cb -0.07 -2.34 -0.01 0.00 -1.71 0.00 0.00 66.02 61.89 1tnn s SER 20 CO -0.10 -0.88 0.43 0.00 1.20 0.00 0.00 173.24 173.89 1tnn s ASP 22 N -4.16 3.63 -0.30 0.00 1.11 -0.90 -1.28 116.67 114.78 1tnn s ASP 22 Ca 0.46 -1.35 -0.19 0.00 0.18 0.00 0.00 52.55 51.65 1tnn s ASP 22 Cb -0.08 -0.35 0.19 0.00 1.07 0.00 0.00 42.92 43.75 1tnn s ASP 22 CO 0.30 -0.45 1.23 0.28 1.18 0.00 0.00 175.17 177.71 1tnn s THR 23 N -2.79 0.00 0.29 -1.27 -1.32 -0.69 -2.75 115.64 107.12 1tnn s THR 23 Ca 0.35 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.89 1tnn s THR 23 Cb 0.09 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 70.02 1tnn s THR 23 CO 0.17 0.00 -0.04 -0.62 -2.21 0.00 0.00 174.62 171.92 1tnn s ASP 24 N 0.81 2.80 0.00 8.08 -1.08 -1.26 -4.54 116.67 121.48 1tnn s ASP 24 Ca -0.04 -1.22 0.00 0.00 -0.52 0.00 0.00 52.55 50.77 1tnn s ASP 24 Cb -0.03 -0.17 0.00 0.00 -1.46 0.00 0.00 42.92 41.25 1tnn s ASP 24 CO -0.12 -0.38 0.00 0.61 0.52 0.00 0.00 175.17 175.80 1tnn n GLY 25 N -0.62 0.99 2.74 2.66 0.00 -1.26 -4.26 105.19 105.44 1tnn n GLY 25 Ca -0.05 -0.72 -0.17 0.00 0.00 0.00 0.00 46.02 45.08 1tnn n GLY 25 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tnn s GLU 26 N -0.26 0.69 1.06 1.61 -6.30 -1.26 -3.57 118.70 110.67 1tnn s GLU 26 Ca 0.00 -0.98 -0.18 0.00 -2.50 0.00 0.00 54.97 51.31 1tnn s GLU 26 Cb 0.00 -0.74 0.25 0.00 0.00 0.00 0.00 34.13 33.64 1tnn s GLU 26 CO 0.00 -1.22 1.30 -0.35 0.02 0.00 0.00 175.26 175.01 1tnn n PRO 27 N 4.04 -1.76 -1.41 4.30 -0.04 -1.26 -4.78 135.00 134.10 1tnn n PRO 27 Ca 0.13 -2.03 -0.45 0.00 -0.04 0.00 0.00 63.50 61.12 1tnn n PRO 27 Cb 0.46 -1.46 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 1tnn n PRO 27 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1tnn n VAL 28 N -4.12 1.66 -0.30 0.52 0.31 -1.23 -4.34 118.33 110.83 1tnn n VAL 28 Ca 0.17 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1tnn n VAL 28 Cb 0.59 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 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 0.97 0.10 -4.47 5.55 -0.04 -1.26 -4.66 135.00 131.19 1tnn n PRO 29 Ca 0.14 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.37 1tnn n PRO 29 Cb 0.32 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.67 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 -0.50 1.80 0.16 0.52 2.01 -1.24 -4.91 115.64 113.49 1tnn s THR 30 Ca 0.00 -2.13 0.08 0.00 0.31 0.00 0.00 61.69 59.95 1tnn s THR 30 Cb 0.00 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 1tnn s THR 30 CO 0.00 -0.23 -0.17 0.54 -0.69 0.00 0.00 174.62 174.07 1tnn s VAL 31 N -2.90 1.76 -0.43 3.82 0.11 -1.26 -1.30 120.40 120.20 1tnn s VAL 31 Ca 0.31 -1.92 0.05 0.00 -2.93 0.00 0.00 61.98 57.50 1tnn s VAL 31 Cb 0.04 -1.82 0.20 0.00 -1.53 0.00 0.00 36.38 33.26 1tnn s VAL 31 CO 0.14 -0.35 0.47 0.41 -3.33 0.00 0.00 175.10 172.44 1tnn n THR 32 N 0.27 -0.86 -1.88 5.04 -1.04 0.18 -4.92 114.28 111.07 1tnn n THR 32 Ca -0.13 -3.10 -0.42 0.00 -2.04 0.00 0.00 64.05 58.36 1tnn n THR 32 Cb 0.57 -1.16 -0.03 0.00 -1.82 0.00 0.00 70.33 67.90 1tnn n THR 32 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1tnn s TRP 33 N -0.08 2.96 -0.24 -1.42 0.52 -1.26 -2.07 118.94 117.36 1tnn s TRP 33 Ca 0.33 0.68 -0.33 0.00 0.02 0.00 0.00 56.10 56.80 1tnn s TRP 33 Cb 0.08 -3.98 0.16 0.00 -1.15 0.00 0.00 33.47 28.58 1tnn s TRP 33 CO -0.16 -3.49 1.27 -0.48 0.02 0.00 0.00 176.95 174.10 1tnn s LEU 34 N 0.54 -0.11 0.00 2.99 2.34 -0.45 -3.62 118.68 120.37 1tnn s LEU 34 Ca 0.68 0.06 0.00 0.00 0.06 0.00 0.00 54.13 54.93 1tnn s LEU 34 Cb -0.45 1.28 0.00 0.00 -0.56 0.00 0.00 46.19 46.45 1tnn s LEU 34 CO 0.37 -0.14 0.00 -1.14 -1.06 0.00 0.00 176.35 174.38 1tnn n ARG 35 N 0.25 0.00 -1.65 1.48 0.00 -1.26 -1.89 116.66 113.58 1tnn n ARG 35 Ca -0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.69 1tnn n ARG 35 Cb 0.58 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.99 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 -1.48 -0.69 -0.14 0.00 -1.26 -4.76 118.16 109.83 1tnn n LYS 36 Ca 0.00 0.87 0.06 0.00 0.00 0.00 0.00 58.31 59.24 1tnn n LYS 36 Cb 0.00 -5.22 0.19 0.00 0.00 0.00 0.00 35.03 30.00 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 -0.41 4.71 2.37 3.14 0.00 -1.26 -4.94 105.19 108.80 1tnn n GLY 37 Ca -0.16 -1.26 -0.08 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.95 -2.05 -4.15 1.61 0.00 -1.26 -3.26 117.38 107.31 1tnn n GLN 38 Ca 0.18 0.46 -0.37 0.00 -0.00 0.00 0.00 57.00 57.26 1tnn n GLN 38 Cb 0.74 -3.97 -0.07 0.00 0.00 0.00 0.00 30.24 26.93 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 -2.50 0.00 0.00 1.69 0.24 -1.26 -4.24 118.33 112.25 1tnn n VAL 39 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1tnn n VAL 39 Cb 0.57 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 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 -3.60 0.00 0.00 1.34 4.32 -1.20 -4.36 117.00 113.49 1tnn n LEU 40 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.09 1tnn n LEU 40 Cb 0.39 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 1tnn n LEU 40 CO 0.84 0.00 0.00 -1.54 -1.22 0.00 0.00 177.39 175.47 1tnn n SER 41 N 2.40 0.00 -3.35 -1.43 3.41 -1.26 -3.00 113.62 110.39 1tnn n SER 41 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 1tnn n SER 41 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 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 0.00 5.04 0.00 6.66 -2.24 -1.26 -4.18 114.28 118.30 1tnn n THR 42 Ca 0.00 -4.27 0.00 0.00 -2.27 0.00 0.00 64.05 57.51 1tnn n THR 42 Cb 0.00 -1.96 0.00 0.00 -2.10 0.00 0.00 70.33 66.27 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 1.45 0.00 0.00 3.42 7.64 -1.16 -4.85 113.62 120.11 1tnn n SER 43 Ca 0.59 0.01 0.00 0.00 1.01 0.00 0.00 58.87 60.48 1tnn n SER 43 Cb 0.29 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 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 -1.11 -0.15 -2.65 -0.43 0.00 -1.26 -4.85 120.51 110.06 1tnn n ALA 44 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1tnn n ALA 44 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 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 -1.56 1.08 -3.64 0.00 3.00 -1.26 -5.01 116.66 109.27 1tnn n ARG 45 Ca 0.00 -1.10 -0.32 0.00 -0.01 0.00 0.00 57.85 56.41 1tnn n ARG 45 Cb 0.00 0.27 -0.05 0.00 0.00 0.00 0.00 32.46 32.68 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 0.12 3.50 -1.15 -1.55 3.76 -1.26 -4.44 115.29 114.28 1tnn s HIS 46 Ca 0.09 0.63 -0.04 0.00 -0.15 0.00 0.00 55.06 55.60 1tnn s HIS 46 Cb 0.36 -2.06 0.25 0.00 1.11 0.00 0.00 32.58 32.24 1tnn s HIS 46 CO -0.10 0.46 1.84 0.94 -0.85 0.00 0.00 174.74 177.03 1tnn n GLN 47 N 0.34 4.67 -2.53 1.40 7.27 -0.23 -4.43 117.38 123.87 1tnn n GLN 47 Ca -0.04 -4.20 -0.40 0.00 0.07 0.00 0.00 57.00 52.43 1tnn n GLN 47 Cb 0.52 -2.59 -0.05 0.00 2.41 0.00 0.00 30.24 30.53 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 -2.42 3.61 0.22 1.69 -7.23 -1.26 -2.00 120.40 113.01 1tnn s VAL 48 Ca 0.40 1.55 -0.16 0.00 -1.81 0.00 0.00 61.98 61.96 1tnn s VAL 48 Cb 0.13 -3.96 0.02 0.00 0.56 0.00 0.00 36.38 33.13 1tnn s VAL 48 CO -0.02 0.32 0.52 0.42 -0.31 0.00 0.00 175.10 176.02 1tnn s THR 49 N -1.25 0.02 -0.29 5.32 -4.23 0.23 -4.88 115.64 110.55 1tnn s THR 49 Ca 0.46 -1.01 -0.14 0.00 -1.18 0.00 0.00 61.69 59.82 1tnn s THR 49 Cb -0.29 -1.81 0.13 0.00 1.34 0.00 0.00 72.50 71.87 1tnn s THR 49 CO 0.37 -0.09 0.81 -0.89 -0.54 0.00 0.00 174.62 174.28 1tnn s THR 50 N -3.92 -0.35 0.29 3.99 2.01 -1.26 -1.28 115.64 115.12 1tnn s THR 50 Ca 0.13 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.93 1tnn s THR 50 Cb -0.01 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.52 1tnn s THR 50 CO 0.02 0.00 0.71 0.42 -0.69 0.00 0.00 174.62 175.08 1tnn s THR 51 N 2.04 0.00 0.00 -0.82 -4.23 -0.86 -5.00 115.64 106.78 1tnn s THR 51 Ca -0.07 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 1tnn s THR 51 Cb -0.07 -2.10 0.00 0.00 1.34 0.00 0.00 72.50 71.68 1tnn s THR 51 CO -0.18 0.00 0.00 2.29 -0.54 0.00 0.00 174.62 176.19 1tnn n LYS 52 N -0.46 0.00 -0.90 3.99 2.85 -1.26 -1.48 118.16 120.90 1tnn n LYS 52 Ca -0.04 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.14 1tnn n LYS 52 Cb 0.59 0.00 0.19 0.00 -0.65 0.00 0.00 35.03 35.17 1tnn n LYS 52 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1tnn n TYR 53 N 11.95 1.39 -3.68 5.58 4.02 -1.26 -4.98 117.16 130.17 1tnn n TYR 53 Ca 0.00 -1.68 -0.14 0.00 -0.01 0.00 0.00 57.90 56.07 1tnn n TYR 53 Cb 0.00 -0.56 -0.08 0.00 -0.02 0.00 0.00 39.34 38.67 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 -3.28 0.69 0.09 -0.72 1.02 -0.55 -1.70 119.74 115.29 1tnn s LYS 54 Ca 0.47 0.39 0.10 0.00 0.02 0.00 0.00 55.97 56.95 1tnn s LYS 54 Cb 0.42 0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 38.02 1tnn s LYS 54 CO 0.01 -0.14 -0.26 0.45 -0.92 0.00 0.00 175.35 174.48 1tnn s SER 55 N -0.39 3.29 -0.08 2.83 0.15 -0.41 -2.02 113.70 117.07 1tnn s SER 55 Ca -0.05 -0.67 -0.00 0.00 0.70 0.00 0.00 55.95 55.92 1tnn s SER 55 Cb -0.03 -0.27 0.02 0.00 -1.71 0.00 0.00 66.02 64.03 1tnn s SER 55 CO 0.03 0.21 -0.04 -0.89 1.20 0.00 0.00 173.24 173.75 1tnn s THR 56 N -0.95 0.71 -0.28 6.45 2.01 -0.40 -0.76 115.64 122.41 1tnn s THR 56 Ca 0.13 -0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.05 1tnn s THR 56 Cb -0.10 -0.77 0.07 0.00 0.01 0.00 0.00 72.50 71.70 1tnn s THR 56 CO 0.04 0.30 -0.07 0.12 -0.69 0.00 0.00 174.62 174.33 1tnn s PHE 57 N 1.62 3.37 -0.19 4.92 2.19 -0.88 0.74 117.98 129.75 1tnn s PHE 57 Ca 0.01 -2.45 0.01 0.00 0.33 0.00 0.00 56.93 54.83 1tnn s PHE 57 Cb -0.13 -2.14 0.04 0.00 -1.31 0.00 0.00 43.02 39.49 1tnn s PHE 57 CO -0.05 -0.89 -0.09 -2.00 1.83 0.00 0.00 175.22 174.02 1tnn s GLU 58 N 1.07 1.91 -1.33 10.12 -6.30 -0.85 -0.48 118.70 122.84 1tnn s GLU 58 Ca -0.05 -0.78 -0.17 0.00 -2.50 0.00 0.00 54.97 51.47 1tnn s GLU 58 Cb -0.20 -2.34 0.07 0.00 0.00 0.00 0.00 34.13 31.66 1tnn s GLU 58 CO -0.05 -0.43 1.82 -0.89 0.02 0.00 0.00 175.26 175.73 1tnn n ILE 59 N 4.72 3.87 -1.75 -3.70 5.41 -1.26 -1.06 119.36 125.59 1tnn n ILE 59 Ca -0.14 -3.93 -0.42 0.00 1.00 0.00 0.00 62.75 59.26 1tnn n ILE 59 Cb 0.47 -2.40 -0.03 0.00 -0.71 0.00 0.00 39.64 36.96 1tnn n ILE 59 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1tnn s SER 60 N 3.95 6.46 -0.77 4.38 0.01 -1.26 -3.07 113.70 123.40 1tnn s SER 60 Ca 0.52 2.70 -0.00 0.00 1.31 0.00 0.00 55.95 60.47 1tnn s SER 60 Cb 0.06 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1tnn s SER 60 CO 0.04 -0.99 0.66 -0.24 0.41 0.00 0.00 173.24 173.12 1tnn n SER 61 N 5.95 -6.50 -4.50 2.44 2.88 -1.25 -4.82 113.62 107.82 1tnn n SER 61 Ca 0.18 -0.46 -0.40 0.00 -1.33 0.00 0.00 58.87 56.86 1tnn n SER 61 Cb 0.39 -3.70 0.03 0.00 -0.75 0.00 0.00 64.21 60.18 1tnn n SER 61 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1tnn n VAL 62 N -2.12 2.27 -4.12 2.46 0.31 -1.17 -4.82 118.33 111.13 1tnn n VAL 62 Ca -0.14 -0.50 -0.15 0.00 -0.01 0.00 0.00 64.34 63.54 1tnn n VAL 62 Cb 0.59 -0.76 -0.05 0.00 -0.91 0.00 0.00 33.84 32.71 1tnn n VAL 62 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1tnn s GLN 63 N -1.98 1.87 1.47 5.55 -0.21 -1.26 -4.88 119.66 120.23 1tnn s GLN 63 Ca 0.67 -1.80 0.00 0.00 0.02 0.00 0.00 55.36 54.25 1tnn s GLN 63 Cb -0.51 0.42 0.00 0.00 1.00 0.00 0.00 33.01 33.92 1tnn s GLN 63 CO 0.55 -0.76 0.00 0.00 -2.12 0.00 0.00 175.29 172.96 1tnn n ALA 64 N -0.57 0.00 -3.15 6.09 0.00 -1.26 -4.09 120.51 117.54 1tnn n ALA 64 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.51 1tnn n ALA 64 Cb 0.62 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.65 -0.25 0.00 1.04 -1.26 -5.04 113.70 103.54 1tnn s SER 65 Ca 0.00 0.13 -0.01 0.00 0.48 0.00 0.00 55.95 56.55 1tnn s SER 65 Cb 0.00 1.43 -0.17 0.00 0.10 0.00 0.00 66.02 67.38 1tnn s SER 65 CO 0.00 -0.12 -0.19 0.47 0.98 0.00 0.00 173.24 174.38 1tnn n ASP 66 N 5.23 1.99 0.00 7.02 9.92 -1.26 -4.98 116.55 134.46 1tnn n ASP 66 Ca 0.06 -0.03 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 1tnn n ASP 66 Cb 0.56 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 40.53 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 -3.44 0.00 0.00 -1.24 0.28 -1.26 -4.75 120.64 110.23 1tnn n GLU 67 Ca -0.46 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.54 1tnn n GLU 67 Cb 0.98 -0.53 0.00 0.00 1.43 0.00 0.00 31.44 33.31 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 1.41 0.00 -1.84 0.00 -0.88 -3.42 105.19 100.47 1tnn n GLY 68 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 0.05 0.00 -4.24 1.61 3.02 -1.26 -3.05 115.26 111.38 1tnn n ASN 69 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.24 1tnn n ASN 69 Cb 0.00 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.00 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 2.38 -0.02 3.10 2.02 0.15 -4.67 117.35 120.31 1tnn s TYR 70 Ca 0.00 -0.77 0.06 0.00 -0.37 0.00 0.00 57.07 56.00 1tnn s TYR 70 Cb 0.00 -1.57 -0.02 0.00 -0.40 0.00 0.00 41.96 39.97 1tnn s TYR 70 CO 0.00 -0.26 -0.22 -1.12 -1.57 0.00 0.00 175.55 172.39 1tnn s SER 71 N -0.03 2.57 -0.40 2.29 0.01 -0.80 -0.74 113.70 116.61 1tnn s SER 71 Ca -0.07 -0.40 -0.13 0.00 1.31 0.00 0.00 55.95 56.66 1tnn s SER 71 Cb -0.14 -0.35 0.03 0.00 0.21 0.00 0.00 66.02 65.76 1tnn s SER 71 CO 0.05 0.26 0.27 0.54 0.41 0.00 0.00 173.24 174.76 1tnn s VAL 72 N -0.44 4.96 -0.41 3.43 0.11 -0.71 -1.35 120.40 125.99 1tnn s VAL 72 Ca 0.07 -0.78 -0.22 0.00 -2.93 0.00 0.00 61.98 58.12 1tnn s VAL 72 Cb -0.09 -3.78 0.02 0.00 -1.53 0.00 0.00 36.38 30.99 1tnn s VAL 72 CO -0.00 -0.30 0.71 -0.69 -3.33 0.00 0.00 175.10 171.49 1tnn s VAL 73 N 1.62 4.77 -0.29 2.04 1.01 -0.88 -1.12 120.40 127.55 1tnn s VAL 73 Ca 0.04 0.44 -0.05 0.00 0.00 0.00 0.00 61.98 62.40 1tnn s VAL 73 Cb -0.19 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 31.99 1tnn s VAL 73 CO 0.08 -0.55 0.05 -0.69 0.00 0.00 0.00 175.10 173.99 1tnn s VAL 74 N 3.00 3.65 0.00 2.92 1.01 0.25 0.51 120.40 131.73 1tnn s VAL 74 Ca 0.27 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1tnn s VAL 74 Cb -0.13 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1tnn s VAL 74 CO 0.19 0.07 0.00 -0.62 0.00 0.00 0.00 175.10 174.75 1tnn n GLU 75 N 4.80 3.41 -3.61 2.72 4.71 -0.42 -1.11 120.64 131.15 1tnn n GLU 75 Ca -0.15 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 56.99 1tnn n GLU 75 Cb 0.47 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.89 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 -1.00 -0.09 0.61 1.62 3.84 -0.67 -3.72 114.94 115.53 1tnn s ASN 76 Ca 0.00 -0.08 0.26 0.00 0.21 0.00 0.00 52.86 53.25 1tnn s ASN 76 Cb 0.00 0.16 1.24 0.00 -0.55 0.00 0.00 41.25 42.09 1tnn s ASN 76 CO 0.00 -0.27 1.67 0.77 -2.79 0.00 0.00 177.10 176.48 1tnn h SER 77 N 2.00 0.00 -0.01 -4.21 4.64 -1.83 -2.93 113.55 111.21 1tnn h SER 77 Ca -0.21 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.91 1tnn h SER 77 Cb 1.19 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.12 1tnn h SER 77 CO 0.26 0.00 -0.33 1.21 -0.87 0.00 0.00 176.83 177.10 1tnn n GLU 78 N -3.34 1.25 -3.84 4.77 2.13 -1.26 -5.06 120.64 115.29 1tnn n GLU 78 Ca 0.10 -1.65 -0.06 0.00 0.66 0.00 0.00 57.16 56.21 1tnn n GLU 78 Cb 0.87 0.09 0.02 0.00 0.27 0.00 0.00 31.44 32.69 1tnn n GLU 78 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1tnn s GLY 79 N -1.20 0.25 -0.21 8.31 0.00 -1.11 -5.17 107.32 108.19 1tnn s GLY 79 Ca 0.18 -0.56 -0.13 0.00 0.00 0.00 0.00 44.72 44.21 1tnn s GLY 79 CO -0.10 1.02 0.51 1.25 0.00 0.00 0.00 173.10 175.79 1tnn s LYS 80 N -2.23 0.53 0.13 2.90 2.36 -1.26 -1.68 119.74 120.49 1tnn s LYS 80 Ca 0.19 0.90 -0.02 0.00 -2.55 0.00 0.00 55.97 54.48 1tnn s LYS 80 Cb -0.04 0.09 0.01 0.00 -1.05 0.00 0.00 37.83 36.84 1tnn s LYS 80 CO 0.09 -0.14 0.21 1.04 1.55 0.00 0.00 175.35 178.10 1tnn n GLN 81 N 3.96 0.30 -3.82 4.03 1.13 -0.27 -4.96 117.38 117.76 1tnn n GLN 81 Ca -0.20 -0.94 0.01 0.00 -1.94 0.00 0.00 57.00 53.92 1tnn n GLN 81 Cb 0.57 0.98 0.01 0.00 0.11 0.00 0.00 30.24 31.90 1tnn n GLN 81 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1tnn s GLU 82 N -2.21 0.62 -0.28 -1.09 -1.05 -1.26 -0.58 118.70 112.85 1tnn s GLU 82 Ca 0.09 -0.38 0.01 0.00 -0.15 0.00 0.00 54.97 54.54 1tnn s GLU 82 Cb -0.01 0.19 0.16 0.00 -0.44 0.00 0.00 34.13 34.03 1tnn s GLU 82 CO 0.07 -0.29 0.41 0.00 0.95 0.00 0.00 175.26 176.40 1tnn s ALA 83 N -2.29 -1.26 0.51 -0.84 0.00 -0.28 -4.91 121.76 112.70 1tnn s ALA 83 Ca 0.21 0.43 -0.13 0.00 0.00 0.00 0.00 51.96 52.47 1tnn s ALA 83 Cb 0.01 -2.02 -0.06 0.00 0.00 0.00 0.00 23.12 21.04 1tnn s ALA 83 CO -0.01 -1.65 0.92 -1.21 0.00 0.00 0.00 175.76 173.82 1tnn s GLU 84 N 2.56 3.79 0.00 0.00 0.41 -1.26 -1.73 118.70 122.46 1tnn s GLU 84 Ca 0.11 0.72 0.00 0.00 -0.41 0.00 0.00 54.97 55.38 1tnn s GLU 84 Cb -0.13 -2.21 0.00 0.00 -1.78 0.00 0.00 34.13 30.01 1tnn s GLU 84 CO -0.27 -0.28 0.00 1.97 -0.49 0.00 0.00 175.26 176.19 1tnn n PHE 85 N -1.85 -0.63 -3.66 1.61 -1.74 0.08 -4.93 117.46 106.35 1tnn n PHE 85 Ca 0.05 0.00 -0.05 0.00 -0.56 0.00 0.00 57.45 56.88 1tnn n PHE 85 Cb 0.54 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.47 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 -2.71 -0.57 -0.64 1.97 -4.23 -1.26 0.31 115.64 108.52 1tnn s THR 86 Ca 0.00 0.06 0.02 0.00 -1.18 0.00 0.00 61.69 60.58 1tnn s THR 86 Cb 0.00 -0.86 0.16 0.00 1.34 0.00 0.00 72.50 73.14 1tnn s THR 86 CO 0.00 0.02 0.43 -0.22 -0.54 0.00 0.00 174.62 174.31 1tnn s LEU 87 N 2.36 4.84 0.85 4.79 2.96 -1.17 -1.85 118.68 131.46 1tnn s LEU 87 Ca -0.06 -3.27 -0.12 0.00 -0.22 0.00 0.00 54.13 50.45 1tnn s LEU 87 Cb -0.10 -1.73 0.10 0.00 0.50 0.00 0.00 46.19 44.96 1tnn s LEU 87 CO -0.17 -0.22 1.13 -0.89 -1.32 0.00 0.00 176.35 174.88 1tnn s THR 88 N -0.66 2.41 -0.26 3.68 2.01 -1.09 -2.07 115.64 119.66 1tnn s THR 88 Ca 0.20 0.13 -0.02 0.00 0.31 0.00 0.00 61.69 62.31 1tnn s THR 88 Cb -0.17 -2.94 0.12 0.00 0.01 0.00 0.00 72.50 69.51 1tnn s THR 88 CO -0.06 -0.17 0.25 0.27 -0.69 0.00 0.00 174.62 174.21 1tnn s ILE 89 N -3.30 -0.33 -1.35 1.82 -0.00 -1.24 -1.11 121.20 115.69 1tnn s ILE 89 Ca 0.62 -0.40 -0.15 0.00 -0.00 0.00 0.00 60.65 60.72 1tnn s ILE 89 Cb -0.14 -0.88 0.08 0.00 -0.00 0.00 0.00 42.46 41.52 1tnn s ILE 89 CO 0.53 -0.42 1.91 1.67 -0.00 0.00 0.00 174.94 178.63 1tnn n GLN 90 N 5.30 3.14 0.00 0.37 -0.06 -0.54 -4.86 117.38 120.74 1tnn n GLN 90 Ca -0.04 -3.12 0.00 0.00 -2.00 0.00 0.00 57.00 51.84 1tnn n GLN 90 Cb 0.47 -3.29 0.00 0.00 -4.06 0.00 0.00 30.24 23.35 1tnn n GLN 90 CO 0.00 0.00 0.00 0.36 -0.20 0.00 0.00 177.06 177.22