#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 -9.43 -0.18 0.55 2.08 -1.26 -4.87 119.36 106.25 1tnn n ILE 2 Ca 0.00 0.67 -0.04 0.00 0.56 0.00 0.00 62.75 63.94 1tnn n ILE 2 Cb 0.00 -6.43 0.15 0.00 -0.75 0.00 0.00 39.64 32.61 1tnn n ILE 2 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1tnn h LEU 3 N 1.95 0.87 -7.00 1.39 4.07 -1.27 -3.45 115.31 111.87 1tnn h LEU 3 Ca -0.13 -0.15 -0.01 0.00 0.08 0.00 0.00 57.88 57.66 1tnn h LEU 3 Cb 1.10 -0.23 -0.21 0.00 1.08 0.00 0.00 40.66 42.40 1tnn h LEU 3 CO 0.21 0.83 0.29 -0.89 -1.08 0.00 0.00 178.44 177.80 1tnn s THR 4 N -5.29 0.00 0.29 0.22 2.01 -1.14 -4.91 115.64 106.83 1tnn s THR 4 Ca -0.10 0.00 0.09 0.00 0.31 0.00 0.00 61.69 61.99 1tnn s THR 4 Cb 0.15 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 1tnn s THR 4 CO 0.81 0.00 0.04 -1.59 -0.69 0.00 0.00 174.62 173.19 1tnn s LYS 5 N -0.70 2.31 0.36 4.92 -2.85 -1.26 -2.00 119.74 120.51 1tnn s LYS 5 Ca -0.05 -1.48 -0.25 0.00 -1.00 0.00 0.00 55.97 53.19 1tnn s LYS 5 Cb -0.02 -2.15 -0.10 0.00 -2.06 0.00 0.00 37.83 33.51 1tnn s LYS 5 CO 0.04 0.28 1.00 -1.25 0.10 0.00 0.00 175.35 175.52 1tnn s PRO 6 N -3.73 4.37 0.00 1.78 0.04 -1.26 -4.85 135.00 131.35 1tnn s PRO 6 Ca 0.33 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1tnn s PRO 6 Cb -0.05 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.84 1tnn s PRO 6 CO 0.21 0.07 0.00 -2.13 0.04 0.00 0.00 177.00 175.18 1tnn n ARG 7 N 0.22 2.17 -4.09 4.56 0.63 -1.26 -4.59 116.66 114.29 1tnn n ARG 7 Ca 0.04 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.82 1tnn n ARG 7 Cb 0.50 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.36 1tnn n ARG 7 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1tnn s SER 8 N -1.36 0.88 0.00 6.15 0.01 -1.26 -4.24 113.70 113.87 1tnn s SER 8 Ca 0.00 -1.47 0.00 0.00 1.31 0.00 0.00 55.95 55.79 1tnn s SER 8 Cb 0.00 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.88 1tnn s SER 8 CO 0.00 -1.27 0.00 1.15 0.41 0.00 0.00 173.24 173.53 1tnn n MET 9 N -0.55 -1.36 -4.42 12.44 0.00 -0.73 -4.94 117.12 117.55 1tnn n MET 9 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 57.70 57.51 1tnn n MET 9 Cb 0.62 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.68 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 0.81 -0.09 3.17 2.01 -1.26 -2.48 115.64 114.81 1tnn s THR 10 Ca 0.00 -0.40 -0.06 0.00 0.31 0.00 0.00 61.69 61.53 1tnn s THR 10 Cb 0.00 -0.70 0.03 0.00 0.01 0.00 0.00 72.50 71.84 1tnn s THR 10 CO 0.00 0.24 0.21 0.68 -0.69 0.00 0.00 174.62 175.07 1tnn s VAL 11 N -0.01 -0.02 0.57 3.82 -7.23 -0.78 -4.86 120.40 111.89 1tnn s VAL 11 Ca 0.00 0.07 0.37 0.00 -1.81 0.00 0.00 61.98 60.61 1tnn s VAL 11 Cb -0.07 -0.32 0.54 0.00 0.56 0.00 0.00 36.38 37.10 1tnn s VAL 11 CO 0.00 0.03 1.68 1.88 -0.31 0.00 0.00 175.10 178.38 1tnn h TYR 12 N 6.42 0.00 0.00 2.82 -1.99 -1.92 -3.29 116.97 119.01 1tnn h TYR 12 Ca -0.32 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.41 1tnn h TYR 12 Cb 1.18 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.91 1tnn h TYR 12 CO 0.39 0.00 0.00 -0.85 -0.00 0.00 0.00 178.16 177.70 1tnn n GLU 13 N -3.89 0.00 -1.12 4.88 0.28 -1.26 -4.41 120.64 115.12 1tnn n GLU 13 Ca 0.27 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 57.08 1tnn n GLU 13 Cb 1.39 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 34.24 1tnn n GLU 13 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1tnn n GLY 14 N 0.00 3.99 0.84 -1.84 0.00 -1.26 -4.20 105.19 102.72 1tnn n GLY 14 Ca 0.00 -1.36 0.08 0.00 0.00 0.00 0.00 46.02 44.74 1tnn n GLY 14 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1tnn n GLU 15 N 0.85 2.88 0.00 1.61 -0.00 -1.26 -4.04 120.64 120.69 1tnn n GLU 15 Ca 0.37 -2.73 0.00 0.00 -0.00 0.00 0.00 57.16 54.80 1tnn n GLU 15 Cb 0.60 -1.76 0.00 0.00 -0.00 0.00 0.00 31.44 30.28 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 -0.40 0.00 -4.25 -1.84 7.64 -1.26 -5.04 113.62 108.47 1tnn n SER 16 Ca 0.20 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.71 1tnn n SER 16 Cb 0.83 0.16 0.04 0.00 -1.01 0.00 0.00 64.21 64.22 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 -1.73 -3.21 -3.63 -0.43 0.00 -1.26 -4.97 120.51 105.28 1tnn n ALA 17 Ca 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 53.44 53.13 1tnn n ALA 17 Cb 0.00 -1.48 -0.05 0.00 0.00 0.00 0.00 19.45 17.92 1tnn n ALA 17 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1tnn s ARG 18 N -1.80 0.21 0.05 0.00 1.70 -1.26 -3.87 118.95 113.97 1tnn s ARG 18 Ca 0.55 0.12 -0.03 0.00 -0.47 0.00 0.00 55.73 55.90 1tnn s ARG 18 Cb -0.37 0.10 -0.03 0.00 -0.57 0.00 0.00 34.95 34.08 1tnn s ARG 18 CO 0.68 -0.05 0.03 -0.06 -1.08 0.00 0.00 175.30 174.82 1tnn s PHE 19 N -0.60 0.37 -0.29 5.89 0.08 0.33 -4.79 117.98 118.96 1tnn s PHE 19 Ca 0.06 -0.82 -0.03 0.00 0.12 0.00 0.00 56.93 56.26 1tnn s PHE 19 Cb -0.02 -0.27 0.19 0.00 -0.57 0.00 0.00 43.02 42.35 1tnn s PHE 19 CO -0.08 -0.38 0.82 0.45 -0.10 0.00 0.00 175.22 175.92 1tnn s SER 20 N -2.59 -1.03 0.52 1.36 0.15 -1.26 -1.73 113.70 109.11 1tnn s SER 20 Ca 0.02 0.16 0.05 0.00 0.70 0.00 0.00 55.95 56.88 1tnn s SER 20 Cb 0.04 1.67 0.05 0.00 -1.71 0.00 0.00 66.02 66.07 1tnn s SER 20 CO -0.08 -0.19 0.42 0.00 1.20 0.00 0.00 173.24 174.59 1tnn s ASP 22 N -4.04 0.36 -0.23 0.00 2.15 -0.85 -1.77 116.67 112.29 1tnn s ASP 22 Ca 0.32 -0.66 -0.18 0.00 0.43 0.00 0.00 52.55 52.46 1tnn s ASP 22 Cb -0.03 0.13 0.07 0.00 -0.30 0.00 0.00 42.92 42.79 1tnn s ASP 22 CO 0.20 -0.39 0.60 0.42 -0.17 0.00 0.00 175.17 175.84 1tnn s THR 23 N -2.21 -0.00 0.52 1.71 -4.23 -1.09 -0.73 115.64 109.59 1tnn s THR 23 Ca -0.08 0.01 0.01 0.00 -1.18 0.00 0.00 61.69 60.45 1tnn s THR 23 Cb -0.04 -0.86 0.02 0.00 1.34 0.00 0.00 72.50 72.96 1tnn s THR 23 CO -0.04 0.01 0.75 -0.62 -0.54 0.00 0.00 174.62 174.18 1tnn s ASP 24 N 0.86 5.45 0.00 3.99 -1.08 -1.26 -4.67 116.67 119.96 1tnn s ASP 24 Ca -0.04 0.10 0.00 0.00 -0.52 0.00 0.00 52.55 52.09 1tnn s ASP 24 Cb -0.05 -1.10 0.00 0.00 -1.46 0.00 0.00 42.92 40.31 1tnn s ASP 24 CO -0.07 -1.00 0.00 0.61 0.52 0.00 0.00 175.17 175.23 1tnn n GLY 25 N -2.27 1.77 2.81 2.66 0.00 -1.26 -4.21 105.19 104.69 1tnn n GLY 25 Ca 0.06 -0.63 0.03 0.00 0.00 0.00 0.00 46.02 45.47 1tnn n GLY 25 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tnn s GLU 26 N 1.11 0.07 -0.18 1.61 -1.05 -1.26 -4.33 118.70 114.66 1tnn s GLU 26 Ca 0.00 -0.01 -0.15 0.00 -0.15 0.00 0.00 54.97 54.67 1tnn s GLU 26 Cb 0.00 0.01 -0.04 0.00 -0.44 0.00 0.00 34.13 33.66 1tnn s GLU 26 CO 0.00 -0.10 0.34 -1.25 0.95 0.00 0.00 175.26 175.20 1tnn s PRO 27 N 2.22 4.21 0.12 -4.83 0.04 -1.26 -4.53 135.00 130.98 1tnn s PRO 27 Ca 0.18 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.36 1tnn s PRO 27 Cb 0.03 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1tnn s PRO 27 CO -0.18 0.08 0.00 0.28 0.04 0.00 0.00 177.00 177.22 1tnn n VAL 28 N 4.02-11.44 -0.66 -0.36 0.31 -1.26 -4.96 118.33 103.98 1tnn n VAL 28 Ca -0.10 2.84 -0.02 0.00 -0.01 0.00 0.00 64.34 67.05 1tnn n VAL 28 Cb 0.51 -4.95 0.02 0.00 -0.91 0.00 0.00 33.84 28.51 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 1.90 -0.91 -4.42 5.55 -0.04 -1.26 -4.79 135.00 131.04 1tnn n PRO 29 Ca 0.00 -0.13 -0.21 0.00 -0.04 0.00 0.00 63.50 63.12 1tnn n PRO 29 Cb 0.00 -0.11 -0.10 0.00 -0.04 0.00 0.00 33.50 33.24 1tnn n PRO 29 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1tnn s THR 30 N -1.16 1.71 0.08 0.52 2.01 -0.88 -4.97 115.64 112.95 1tnn s THR 30 Ca 0.05 -2.16 0.04 0.00 0.31 0.00 0.00 61.69 59.93 1tnn s THR 30 Cb -0.00 -2.37 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 1tnn s THR 30 CO 0.04 -0.36 -0.10 0.54 -0.69 0.00 0.00 174.62 174.05 1tnn s VAL 31 N -2.97 0.89 -0.43 3.82 0.11 -1.26 -1.47 120.40 119.08 1tnn s VAL 31 Ca 0.28 -1.50 0.05 0.00 -2.93 0.00 0.00 61.98 57.89 1tnn s VAL 31 Cb 0.02 -1.19 0.19 0.00 -1.53 0.00 0.00 36.38 33.87 1tnn s VAL 31 CO 0.11 -0.49 0.47 0.41 -3.33 0.00 0.00 175.10 172.27 1tnn n THR 32 N 0.81 -0.85 -1.83 5.04 -1.04 0.26 -4.91 114.28 111.75 1tnn n THR 32 Ca -0.18 -2.99 -0.42 0.00 -2.04 0.00 0.00 64.05 58.43 1tnn n THR 32 Cb 0.57 -1.06 -0.03 0.00 -1.82 0.00 0.00 70.33 67.99 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 0.03 2.51 0.00 -1.42 0.52 -1.26 -2.12 118.94 117.19 1tnn s TRP 33 Ca 0.33 0.26 0.00 0.00 0.02 0.00 0.00 56.10 56.71 1tnn s TRP 33 Cb 0.07 -4.05 0.00 0.00 -1.15 0.00 0.00 33.47 28.33 1tnn s TRP 33 CO -0.16 -4.18 0.00 1.47 0.02 0.00 0.00 176.95 174.10 1tnn n LEU 34 N 5.11 0.00 -2.65 2.99 -0.00 -0.67 -3.90 117.00 117.88 1tnn n LEU 34 Ca 0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 56.14 1tnn n LEU 34 Cb 0.39 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.83 1tnn n LEU 34 CO 0.64 0.00 0.71 -1.14 -0.00 0.00 0.00 177.39 177.60 1tnn n ARG 35 N -0.00 0.01 -1.66 1.47 0.00 -1.26 -1.88 116.66 113.33 1tnn n ARG 35 Ca 0.00 -0.51 -0.17 0.00 -0.00 0.00 0.00 57.85 57.16 1tnn n ARG 35 Cb 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.39 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 -0.11 -1.47 -0.66 -0.14 4.81 -1.26 -4.78 118.16 114.55 1tnn n LYS 36 Ca -0.22 1.00 0.05 0.00 -0.87 0.00 0.00 58.31 58.26 1tnn n LYS 36 Cb 0.67 -5.38 0.20 0.00 0.02 0.00 0.00 35.03 30.55 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 -0.43 5.20 2.08 3.14 0.00 -1.26 -4.93 105.19 108.99 1tnn n GLY 37 Ca -0.18 -1.36 -0.07 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.10 -2.67 -3.99 1.61 -0.06 -1.26 -3.62 117.38 106.28 1tnn n GLN 38 Ca 0.20 0.31 -0.32 0.00 -2.00 0.00 0.00 57.00 55.18 1tnn n GLN 38 Cb 0.70 -3.73 -0.07 0.00 -4.06 0.00 0.00 30.24 23.08 1tnn n GLN 38 CO 0.00 0.00 0.00 1.33 -0.20 0.00 0.00 177.06 178.19 1tnn n VAL 39 N -2.78 -0.23 -0.05 1.69 0.24 -1.26 -4.26 118.33 111.68 1tnn n VAL 39 Ca -0.05 -0.11 -0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1tnn n VAL 39 Cb 0.54 -0.52 -0.00 0.00 -1.47 0.00 0.00 33.84 32.39 1tnn n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1tnn n LEU 40 N -3.56 -0.09 -3.27 1.34 -0.00 -1.24 -4.53 117.00 105.66 1tnn n LEU 40 Ca -0.01 -0.06 -0.23 0.00 -0.00 0.00 0.00 56.01 55.72 1tnn n LEU 40 Cb 0.43 -0.03 -0.08 0.00 -0.00 0.00 0.00 43.42 43.74 1tnn n LEU 40 CO 0.77 -0.07 -0.24 -1.54 -0.00 0.00 0.00 177.39 176.31 1tnn n SER 41 N 0.21 -1.03 -2.96 1.45 3.41 -1.26 -4.72 113.62 108.72 1tnn n SER 41 Ca 0.00 -2.49 -0.18 0.00 -0.26 0.00 0.00 58.87 55.95 1tnn n SER 41 Cb 0.02 -0.12 -0.00 0.00 -0.26 0.00 0.00 64.21 63.85 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 2.81 -0.84 -1.12 6.66 -2.24 -1.17 -4.79 114.28 113.58 1tnn n THR 42 Ca 0.27 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.87 1tnn n THR 42 Cb 0.50 -1.78 -0.03 0.00 -2.10 0.00 0.00 70.33 66.91 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 -2.08 6.21 0.00 3.42 7.64 -1.26 -4.73 113.62 122.82 1tnn n SER 43 Ca -0.07 -2.99 0.00 0.00 1.01 0.00 0.00 58.87 56.82 1tnn n SER 43 Cb 0.57 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 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 0.96 0.00 -1.22 -0.43 0.00 -1.26 -4.63 120.51 113.93 1tnn n ALA 44 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1tnn n ALA 44 Cb 0.61 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.65 0.00 -3.82 0.00 0.63 -1.26 -5.05 116.66 105.51 1tnn n ARG 45 Ca 0.00 -0.38 -0.12 0.00 -0.92 0.00 0.00 57.85 56.43 1tnn n ARG 45 Cb 0.08 -0.39 -0.10 0.00 0.45 0.00 0.00 32.46 32.49 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 -0.11 -0.94 -0.14 3.76 -1.26 -4.08 115.29 112.52 1tnn s HIS 46 Ca 0.00 0.22 -0.01 0.00 -0.15 0.00 0.00 55.06 55.12 1tnn s HIS 46 Cb 0.00 0.03 0.33 0.00 1.11 0.00 0.00 32.58 34.05 1tnn s HIS 46 CO 0.00 -0.25 1.86 0.94 -0.85 0.00 0.00 174.74 176.44 1tnn n GLN 47 N 1.95 4.43 -1.68 1.40 7.27 -0.47 -3.06 117.38 127.21 1tnn n GLN 47 Ca -0.19 -4.28 -0.31 0.00 0.07 0.00 0.00 57.00 52.30 1tnn n GLN 47 Cb 0.57 -2.39 0.04 0.00 2.41 0.00 0.00 30.24 30.87 1tnn n GLN 47 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1tnn s VAL 48 N -4.62 4.12 0.23 1.69 1.01 -1.26 -2.72 120.40 118.84 1tnn s VAL 48 Ca 0.44 0.69 -0.18 0.00 0.00 0.00 0.00 61.98 62.92 1tnn s VAL 48 Cb 0.28 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 33.16 1tnn s VAL 48 CO -0.23 -0.90 0.59 0.42 0.00 0.00 0.00 175.10 174.98 1tnn s THR 49 N -3.12 0.01 -0.29 3.92 -4.23 0.24 -4.47 115.64 107.71 1tnn s THR 49 Ca 0.57 -0.86 -0.16 0.00 -1.18 0.00 0.00 61.69 60.06 1tnn s THR 49 Cb -0.13 -1.74 0.14 0.00 1.34 0.00 0.00 72.50 72.10 1tnn s THR 49 CO 0.54 -0.05 0.92 -0.89 -0.54 0.00 0.00 174.62 174.61 1tnn s THR 50 N -3.90 -0.03 0.24 3.99 2.01 -1.26 -1.82 115.64 114.88 1tnn s THR 50 Ca 0.11 0.00 -0.22 0.00 0.31 0.00 0.00 61.69 61.89 1tnn s THR 50 Cb -0.03 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.52 1tnn s THR 50 CO 0.01 0.00 0.78 0.28 -0.69 0.00 0.00 174.62 175.00 1tnn s THR 51 N 1.45 0.00 0.00 -0.82 -1.32 -0.85 -5.00 115.64 109.10 1tnn s THR 51 Ca -0.09 -0.90 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 1tnn s THR 51 Cb -0.04 -1.99 0.00 0.00 -1.51 0.00 0.00 72.50 68.96 1tnn s THR 51 CO -0.16 0.00 0.00 2.29 -2.21 0.00 0.00 174.62 174.54 1tnn n LYS 52 N -0.46 0.00 -0.76 7.08 2.85 -1.26 -1.53 118.16 124.08 1tnn n LYS 52 Ca -0.05 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.19 1tnn n LYS 52 Cb 0.60 0.00 0.20 0.00 -0.65 0.00 0.00 35.03 35.18 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 12.42 0.95 -3.66 5.58 4.02 -1.26 -4.89 117.16 130.32 1tnn n TYR 53 Ca 0.00 -1.55 -0.15 0.00 -0.01 0.00 0.00 57.90 56.18 1tnn n TYR 53 Cb 0.00 -0.46 -0.07 0.00 -0.02 0.00 0.00 39.34 38.79 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 -3.23 0.84 0.27 -0.72 1.02 -0.58 -2.69 119.74 114.65 1tnn s LYS 54 Ca 0.44 -0.01 0.07 0.00 0.02 0.00 0.00 55.97 56.49 1tnn s LYS 54 Cb 0.40 0.38 -0.06 0.00 -0.52 0.00 0.00 37.83 38.04 1tnn s LYS 54 CO -0.01 -0.25 -0.08 0.45 -0.92 0.00 0.00 175.35 174.54 1tnn s SER 55 N -1.28 2.82 -0.12 2.83 0.15 -0.73 -2.00 113.70 115.36 1tnn s SER 55 Ca -0.12 -1.15 -0.06 0.00 0.70 0.00 0.00 55.95 55.32 1tnn s SER 55 Cb -0.03 -0.18 0.05 0.00 -1.71 0.00 0.00 66.02 64.16 1tnn s SER 55 CO 0.07 -0.28 0.27 -0.89 1.20 0.00 0.00 173.24 173.61 1tnn s THR 56 N -2.96 -0.13 -0.10 6.45 2.01 -0.76 -0.70 115.64 119.45 1tnn s THR 56 Ca 0.28 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.47 1tnn s THR 56 Cb 0.02 -0.43 0.01 0.00 0.01 0.00 0.00 72.50 72.12 1tnn s THR 56 CO 0.11 0.07 -0.16 0.12 -0.69 0.00 0.00 174.62 174.07 1tnn s PHE 57 N 1.55 2.00 0.19 4.92 5.36 -0.71 0.83 117.98 132.12 1tnn s PHE 57 Ca -0.07 -0.91 0.08 0.00 -0.96 0.00 0.00 56.93 55.06 1tnn s PHE 57 Cb -0.10 -1.43 -0.04 0.00 -0.34 0.00 0.00 43.02 41.10 1tnn s PHE 57 CO -0.09 -0.46 -0.15 -2.00 -1.46 0.00 0.00 175.22 171.06 1tnn s GLU 58 N 0.89 1.30 -0.35 10.12 -6.30 -1.10 0.12 118.70 123.38 1tnn s GLU 58 Ca -0.08 -1.53 -0.07 0.00 -2.50 0.00 0.00 54.97 50.79 1tnn s GLU 58 Cb -0.15 -1.15 0.05 0.00 0.00 0.00 0.00 34.13 32.87 1tnn s GLU 58 CO -0.00 0.20 0.13 0.42 0.02 0.00 0.00 175.26 176.03 1tnn s ILE 59 N -2.71 3.85 -0.09 -3.70 1.01 -1.25 -1.36 121.20 116.95 1tnn s ILE 59 Ca 0.20 -1.18 0.13 0.00 0.00 0.00 0.00 60.65 59.79 1tnn s ILE 59 Cb -0.02 -3.21 0.19 0.00 0.01 0.00 0.00 42.46 39.43 1tnn s ILE 59 CO 0.07 -0.24 1.09 -0.24 0.00 0.00 0.00 174.94 175.62 1tnn n SER 60 N 4.82 1.68 -1.72 3.58 2.88 -1.26 -3.98 113.62 119.62 1tnn n SER 60 Ca -0.12 -2.70 -0.02 0.00 -1.33 0.00 0.00 58.87 54.71 1tnn n SER 60 Cb 0.44 -0.34 0.04 0.00 -0.75 0.00 0.00 64.21 63.60 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 -0.98 -0.68 -4.74 -3.46 2.88 -1.26 -4.87 113.62 100.50 1tnn n SER 61 Ca 0.11 -1.45 -0.41 0.00 -1.33 0.00 0.00 58.87 55.78 1tnn n SER 61 Cb 0.63 0.30 -0.00 0.00 -0.75 0.00 0.00 64.21 64.38 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 -0.57 2.10 0.00 2.46 3.14 -1.26 -4.76 118.33 119.44 1tnn n VAL 62 Ca -0.11 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.77 1tnn n VAL 62 Cb 0.63 -1.80 0.00 0.00 -1.06 0.00 0.00 33.84 31.62 1tnn n VAL 62 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1tnn n GLN 63 N 0.40 1.09 -0.20 1.45 1.13 -1.26 -4.76 117.38 115.23 1tnn n GLN 63 Ca 0.03 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.16 1tnn n GLN 63 Cb 0.38 0.00 0.18 0.00 0.11 0.00 0.00 30.24 30.91 1tnn n GLN 63 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1tnn n ALA 64 N -3.00 2.44 0.00 -1.58 0.00 -1.26 -4.67 120.51 112.44 1tnn n ALA 64 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1tnn n ALA 64 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1tnn n ALA 64 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1tnn n SER 65 N 0.67 0.00 0.00 0.00 3.41 -1.26 -5.04 113.62 111.40 1tnn n SER 65 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1tnn n SER 65 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 0.14 -2.19 4.04 9.92 -1.26 -5.10 116.55 122.09 1tnn n ASP 66 Ca 0.00 -1.04 -0.00 0.00 -0.53 0.00 0.00 54.79 53.22 1tnn n ASP 66 Cb 0.00 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 -0.02 -0.51 0.00 -1.24 0.28 -1.26 -4.62 120.64 113.27 1tnn n GLU 67 Ca 0.00 0.42 0.00 0.00 -0.16 0.00 0.00 57.16 57.42 1tnn n GLU 67 Cb 0.34 -0.81 0.00 0.00 1.43 0.00 0.00 31.44 32.41 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 2.08 -0.44 3.61 -1.84 0.00 0.72 -4.61 105.19 104.71 1tnn n GLY 68 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1tnn n GLY 68 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1tnn s ASN 69 N -2.88 5.68 0.07 1.61 0.01 0.24 -2.82 114.94 116.86 1tnn s ASN 69 Ca 0.00 1.78 -0.02 0.00 -0.71 0.00 0.00 52.86 53.91 1tnn s ASN 69 Cb 0.00 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 1tnn s ASN 69 CO 0.00 -1.80 0.01 -0.31 -1.51 0.00 0.00 177.10 173.49 1tnn s TYR 70 N 7.52 0.54 0.03 2.20 2.02 -0.68 -4.82 117.35 124.16 1tnn s TYR 70 Ca 0.93 -1.04 0.05 0.00 -0.37 0.00 0.00 57.07 56.64 1tnn s TYR 70 Cb -0.31 -0.37 -0.02 0.00 -0.40 0.00 0.00 41.96 40.87 1tnn s TYR 70 CO 0.35 -0.43 -0.15 -1.12 -1.57 0.00 0.00 175.55 172.63 1tnn s SER 71 N -2.94 1.82 -0.42 2.29 0.01 -0.79 -1.68 113.70 112.00 1tnn s SER 71 Ca 0.10 -0.43 -0.15 0.00 1.31 0.00 0.00 55.95 56.77 1tnn s SER 71 Cb 0.07 -0.14 0.03 0.00 0.21 0.00 0.00 66.02 66.19 1tnn s SER 71 CO -0.08 0.08 0.32 0.54 0.41 0.00 0.00 173.24 174.51 1tnn s VAL 72 N -0.75 5.25 -0.42 3.43 0.11 0.38 -1.67 120.40 126.73 1tnn s VAL 72 Ca 0.03 -0.71 -0.23 0.00 -2.93 0.00 0.00 61.98 58.14 1tnn s VAL 72 Cb -0.08 -3.96 0.02 0.00 -1.53 0.00 0.00 36.38 30.83 1tnn s VAL 72 CO 0.01 -0.35 0.78 -0.69 -3.33 0.00 0.00 175.10 171.52 1tnn s VAL 73 N 1.69 4.68 -0.20 2.04 1.01 -0.90 -0.59 120.40 128.12 1tnn s VAL 73 Ca 0.05 0.59 -0.03 0.00 0.00 0.00 0.00 61.98 62.59 1tnn s VAL 73 Cb -0.20 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 1tnn s VAL 73 CO 0.10 -0.62 -0.06 -0.69 0.00 0.00 0.00 175.10 173.83 1tnn s VAL 74 N 3.23 3.35 0.74 2.92 1.01 0.43 0.89 120.40 132.97 1tnn s VAL 74 Ca 0.30 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 1tnn s VAL 74 Cb -0.12 -2.50 0.15 0.00 0.00 0.00 0.00 36.38 33.91 1tnn s VAL 74 CO 0.21 0.44 1.01 -0.62 0.00 0.00 0.00 175.10 176.14 1tnn n GLU 75 N 4.55 -0.28 -4.28 2.72 -0.58 -0.54 -0.52 120.64 121.70 1tnn n GLU 75 Ca -0.18 -2.52 -0.15 0.00 -0.42 0.00 0.00 57.16 53.89 1tnn n GLU 75 Cb 0.51 -0.75 -0.10 0.00 -0.57 0.00 0.00 31.44 30.53 1tnn n GLU 75 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1tnn s ASN 76 N -5.04 0.92 0.65 1.62 3.84 -0.78 -2.07 114.94 114.07 1tnn s ASN 76 Ca 0.65 -1.40 0.25 0.00 0.21 0.00 0.00 52.86 52.57 1tnn s ASN 76 Cb -0.03 0.24 1.32 0.00 -0.55 0.00 0.00 41.25 42.23 1tnn s ASN 76 CO 0.44 -0.78 1.75 0.77 -2.79 0.00 0.00 177.10 176.49 1tnn h SER 77 N 2.44 0.00 -0.12 -4.21 4.64 -1.87 -2.96 113.55 111.47 1tnn h SER 77 Ca -0.37 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.73 1tnn h SER 77 Cb 1.25 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.15 1tnn h SER 77 CO 0.58 0.00 -0.45 -1.84 -0.87 0.00 0.00 176.83 174.25 1tnn n GLU 78 N -3.03 1.26 -1.60 4.77 0.00 -1.26 -5.07 120.64 115.71 1tnn n GLU 78 Ca 0.02 -1.89 0.00 0.00 0.00 0.00 0.00 57.16 55.29 1tnn n GLU 78 Cb 0.59 -0.11 0.00 0.00 0.00 0.00 0.00 31.44 31.91 1tnn n GLU 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1tnn n GLY 79 N -0.79 1.02 3.22 -1.84 0.00 -1.12 -5.18 105.19 100.51 1tnn n GLY 79 Ca -0.05 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.98 0.46 0.23 1.61 0.00 -1.26 -1.87 119.74 116.93 1tnn s LYS 80 Ca 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 55.97 56.19 1tnn s LYS 80 Cb 0.00 0.22 0.01 0.00 0.00 0.00 0.00 37.83 38.06 1tnn s LYS 80 CO 0.00 -0.09 0.35 1.04 0.00 0.00 0.00 175.35 176.66 1tnn n GLN 81 N 2.42 0.51 -3.83 1.78 1.13 0.32 -4.93 117.38 114.78 1tnn n GLN 81 Ca -0.16 -1.66 0.01 0.00 -1.94 0.00 0.00 57.00 53.25 1tnn n GLN 81 Cb 0.57 1.70 0.01 0.00 0.11 0.00 0.00 30.24 32.63 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 -2.39 0.61 0.10 -1.09 1.03 -1.26 -0.43 118.70 115.28 1tnn s GLU 82 Ca 0.16 -0.37 -0.09 0.00 0.03 0.00 0.00 54.97 54.69 1tnn s GLU 82 Cb -0.01 0.18 0.00 0.00 -0.80 0.00 0.00 34.13 33.50 1tnn s GLU 82 CO 0.12 -0.28 0.22 0.00 -1.33 0.00 0.00 175.26 173.98 1tnn s ALA 83 N -2.27 -0.25 -0.01 -0.84 0.00 0.24 -4.87 121.76 113.76 1tnn s ALA 83 Ca 0.22 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.58 1tnn s ALA 83 Cb 0.01 0.56 0.01 0.00 0.00 0.00 0.00 23.12 23.70 1tnn s ALA 83 CO -0.00 -0.54 -0.02 -1.21 0.00 0.00 0.00 175.76 173.99 1tnn s GLU 84 N -3.87 0.21 0.13 0.00 0.41 -1.26 -0.47 118.70 113.84 1tnn s GLU 84 Ca 0.07 -0.03 -0.00 0.00 -0.41 0.00 0.00 54.97 54.59 1tnn s GLU 84 Cb 0.04 -0.26 -0.04 0.00 -1.78 0.00 0.00 34.13 32.09 1tnn s GLU 84 CO -0.09 -0.01 0.02 -0.59 -0.49 0.00 0.00 175.26 174.10 1tnn s PHE 85 N 0.26 0.90 -0.14 1.61 -0.71 -0.68 -4.89 117.98 114.33 1tnn s PHE 85 Ca -0.02 -1.14 -0.03 0.00 -1.04 0.00 0.00 56.93 54.70 1tnn s PHE 85 Cb -0.05 -0.52 0.05 0.00 -1.21 0.00 0.00 43.02 41.29 1tnn s PHE 85 CO -0.01 -0.40 0.05 0.95 -1.34 0.00 0.00 175.22 174.48 1tnn s THR 86 N -3.90 0.17 -0.01 -4.49 -4.23 -1.26 -1.68 115.64 100.23 1tnn s THR 86 Ca 0.21 -0.13 0.01 0.00 -1.18 0.00 0.00 61.69 60.59 1tnn s THR 86 Cb 0.07 -0.63 -0.04 0.00 1.34 0.00 0.00 72.50 73.24 1tnn s THR 86 CO 0.00 -0.09 0.01 -0.76 -0.54 0.00 0.00 174.62 173.24 1tnn s LEU 87 N 2.03 3.59 0.00 4.79 2.01 -1.13 -1.77 118.68 128.21 1tnn s LEU 87 Ca 0.02 0.04 0.03 0.00 0.01 0.00 0.00 54.13 54.23 1tnn s LEU 87 Cb -0.15 -2.03 -0.01 0.00 0.01 0.00 0.00 46.19 44.01 1tnn s LEU 87 CO -0.07 0.29 0.10 0.41 1.01 0.00 0.00 176.35 178.09 1tnn n THR 88 N 1.46 0.00 -3.73 5.49 -1.04 -1.03 0.26 114.28 115.69 1tnn n THR 88 Ca -0.15 -2.12 -0.30 0.00 -2.04 0.00 0.00 64.05 59.45 1tnn n THR 88 Cb 0.53 0.67 -0.14 0.00 -1.82 0.00 0.00 70.33 69.57 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 -2.84 1.16 -0.39 12.58 1.09 -1.25 -1.87 121.20 129.69 1tnn s ILE 89 Ca 0.14 -1.98 -0.28 0.00 -1.10 0.00 0.00 60.65 57.42 1tnn s ILE 89 Cb 0.01 -1.85 0.04 0.00 -1.06 0.00 0.00 42.46 39.60 1tnn s ILE 89 CO 0.10 -0.78 0.55 1.67 -0.10 0.00 0.00 174.94 176.38 1tnn n GLN 90 N 4.20 -1.95 0.00 2.79 0.00 -1.24 -4.93 117.38 116.25 1tnn n GLN 90 Ca 0.04 1.60 0.00 0.00 -0.00 0.00 0.00 57.00 58.64 1tnn n GLN 90 Cb 0.38 -3.01 0.00 0.00 0.00 0.00 0.00 30.24 27.61 1tnn n GLN 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69