#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ott s ALA 8 N 0.00 1.61 0.01 0.55 0.00 -1.26 -4.89 121.76 117.78 2ott s ALA 8 Ca 0.00 0.32 -0.28 0.00 0.00 0.00 0.00 51.96 52.00 2ott s ALA 8 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 2ott s ALA 8 CO 0.00 -2.43 0.90 0.08 0.00 0.00 0.00 175.76 174.31 2ott s VAL 9 N -2.77 4.82 0.03 0.00 1.01 -1.26 -4.55 120.40 117.68 2ott s VAL 9 Ca 0.64 1.90 0.01 0.00 0.00 0.00 0.00 61.98 64.53 2ott s VAL 9 Cb -0.20 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 2ott s VAL 9 CO 0.58 0.23 0.07 -1.61 0.00 0.00 0.00 175.10 174.36 2ott s GLU 10 N 0.67 2.95 0.34 2.72 2.02 0.15 -4.86 118.70 122.70 2ott s GLU 10 Ca 0.47 -0.58 0.03 0.00 0.02 0.00 0.00 54.97 54.91 2ott s GLU 10 Cb -0.21 -2.78 -0.05 0.00 0.10 0.00 0.00 34.13 31.20 2ott s GLU 10 CO 0.26 0.61 0.09 -1.54 0.02 0.00 0.00 175.26 174.70 2ott s SER 11 N -1.96 2.29 -0.19 -0.19 1.04 -1.26 -1.90 113.70 111.54 2ott s SER 11 Ca 0.25 -1.49 -0.31 0.00 0.48 0.00 0.00 55.95 54.87 2ott s SER 11 Cb -0.12 0.18 0.15 0.00 0.10 0.00 0.00 66.02 66.33 2ott s SER 11 CO 0.16 -0.75 1.15 -0.60 0.98 0.00 0.00 173.24 174.18 2ott s ARG 12 N -3.85 0.38 -0.21 4.02 3.52 -0.39 -4.86 118.95 117.56 2ott s ARG 12 Ca 0.32 -0.02 -0.02 0.00 -0.13 0.00 0.00 55.73 55.88 2ott s ARG 12 Cb 0.06 0.18 0.00 0.00 -1.56 0.00 0.00 34.95 33.63 2ott s ARG 12 CO 0.15 -0.14 -0.09 -0.51 -0.81 0.00 0.00 175.30 173.90 2ott s LEU 13 N -1.56 2.70 -0.10 -0.88 1.43 -1.26 -0.69 118.68 118.32 2ott s LEU 13 Ca 0.05 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 2ott s LEU 13 Cb -0.01 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 2ott s LEU 13 CO -0.04 -0.02 -0.11 -0.69 0.23 0.00 0.00 176.35 175.72 2ott s VAL 14 N 1.42 3.26 0.00 -1.59 1.01 -0.28 -4.63 120.40 119.59 2ott s VAL 14 Ca 0.05 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.42 2ott s VAL 14 Cb -0.14 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.90 2ott s VAL 14 CO -0.06 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.21 2ott n GLY 15 N 2.90 0.34 3.94 4.51 0.00 -1.26 -1.08 105.19 114.54 2ott n GLY 15 Ca -0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 2ott n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ott s GLY 16 N -1.55 1.68 0.00 -0.02 0.00 -1.14 -4.95 107.32 101.35 2ott s GLY 16 Ca 0.00 -0.97 0.21 0.00 0.00 0.00 0.00 44.72 43.97 2ott s GLY 16 CO 0.00 -0.65 1.69 -1.14 0.00 0.00 0.00 173.10 172.99 2ott n SER 17 N -2.58 0.00 -3.17 1.64 3.41 -1.26 -4.65 113.62 107.00 2ott n SER 17 Ca 0.06 0.28 -0.17 0.00 -0.26 0.00 0.00 58.87 58.77 2ott n SER 17 Cb 0.59 -0.41 -0.05 0.00 -0.26 0.00 0.00 64.21 64.08 2ott n SER 17 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2ott s SER 18 N -2.82 1.37 0.00 4.04 1.04 -1.26 -5.02 113.70 111.06 2ott s SER 18 Ca 0.15 -1.65 0.18 0.00 0.48 0.00 0.00 55.95 55.10 2ott s SER 18 Cb 0.14 0.64 0.80 0.00 0.10 0.00 0.00 66.02 67.70 2ott s SER 18 CO 0.36 -1.24 1.57 2.30 0.98 0.00 0.00 173.24 177.21 2ott n ILE 19 N -0.62 0.70 1.69 -1.02 -5.35 -1.26 -2.47 119.36 111.03 2ott n ILE 19 Ca 0.04 0.17 0.10 0.00 -0.27 0.00 0.00 62.75 62.79 2ott n ILE 19 Cb 0.62 -0.87 0.47 0.00 -1.74 0.00 0.00 39.64 38.11 2ott n ILE 19 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ott s GLU 21 N -1.91 0.78 0.00 0.00 -1.05 -1.03 -0.70 118.70 114.78 2ott s GLU 21 Ca 0.29 -0.04 0.00 0.00 -0.15 0.00 0.00 54.97 55.07 2ott s GLU 21 Cb 0.14 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 34.19 2ott s GLU 21 CO 0.23 -0.22 0.00 0.41 0.95 0.00 0.00 175.26 176.63 2ott n GLY 22 N 1.21 -0.58 3.75 -3.83 0.00 -0.25 -2.86 105.19 102.63 2ott n GLY 22 Ca -0.21 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 2ott n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ott s THR 23 N -1.49 3.26 0.05 2.61 2.01 -0.24 -0.84 115.64 121.00 2ott s THR 23 Ca 0.00 1.17 -0.30 0.00 0.31 0.00 0.00 61.69 62.86 2ott s THR 23 Cb 0.00 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.72 2ott s THR 23 CO 0.00 0.24 1.06 -0.69 -0.69 0.00 0.00 174.62 174.54 2ott s VAL 24 N -0.63 4.46 0.07 3.82 1.01 0.29 -1.12 120.40 128.30 2ott s VAL 24 Ca 0.50 1.82 0.08 0.00 0.00 0.00 0.00 61.98 64.39 2ott s VAL 24 Cb -0.35 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 31.83 2ott s VAL 24 CO 0.42 0.17 -0.23 -1.61 0.00 0.00 0.00 175.10 173.86 2ott s GLU 25 N 0.78 1.41 0.20 2.72 2.02 0.13 -1.14 118.70 124.83 2ott s GLU 25 Ca 0.53 -1.08 0.01 0.00 0.02 0.00 0.00 54.97 54.46 2ott s GLU 25 Cb -0.25 -1.62 -0.05 0.00 0.10 0.00 0.00 34.13 32.31 2ott s GLU 25 CO 0.29 0.40 0.04 0.14 0.02 0.00 0.00 175.26 176.16 2ott s VAL 26 N -0.92 0.58 -0.26 2.63 -7.23 0.38 -1.26 120.40 114.32 2ott s VAL 26 Ca 0.09 -1.99 -0.25 0.00 -1.81 0.00 0.00 61.98 58.02 2ott s VAL 26 Cb -0.09 -2.32 0.10 0.00 0.56 0.00 0.00 36.38 34.63 2ott s VAL 26 CO 0.03 -0.28 0.90 -0.60 -0.31 0.00 0.00 175.10 174.84 2ott s ARG 27 N -3.97 0.66 0.00 4.82 3.52 -0.80 -1.80 118.95 121.38 2ott s ARG 27 Ca 0.30 0.71 0.00 0.00 -0.13 0.00 0.00 55.73 56.61 2ott s ARG 27 Cb 0.07 0.32 0.00 0.00 -1.56 0.00 0.00 34.95 33.78 2ott s ARG 27 CO 0.08 -0.09 0.00 0.94 -0.81 0.00 0.00 175.30 175.41 2ott n GLN 28 N 2.27 0.00 -3.47 5.12 7.27 -1.26 -0.68 117.38 126.62 2ott n GLN 28 Ca -0.13 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.52 2ott n GLN 28 Cb 0.56 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.17 2ott n GLN 28 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 2ott s GLY 29 N -0.28 3.07 0.24 1.69 0.00 -1.26 -4.92 107.32 105.86 2ott s GLY 29 Ca 0.00 -3.75 -0.14 0.00 0.00 0.00 0.00 44.72 40.83 2ott s GLY 29 CO 0.00 1.26 0.49 0.00 0.00 0.00 0.00 173.10 174.85 2ott s ALA 30 N -1.06 -0.34 0.64 3.20 0.00 -1.26 -5.11 121.76 117.82 2ott s ALA 30 Ca 0.27 -0.80 -0.15 0.00 0.00 0.00 0.00 51.96 51.28 2ott s ALA 30 Cb -0.10 1.03 -0.01 0.00 0.00 0.00 0.00 23.12 24.05 2ott s ALA 30 CO -0.09 -0.86 1.09 -0.65 0.00 0.00 0.00 175.76 175.25 2ott s GLN 31 N -4.00 2.99 0.42 0.00 -0.21 -1.26 -5.03 119.66 112.57 2ott s GLN 31 Ca 0.21 1.31 -0.24 0.00 0.02 0.00 0.00 55.36 56.66 2ott s GLN 31 Cb -0.01 -1.98 -0.08 0.00 1.00 0.00 0.00 33.01 31.94 2ott s GLN 31 CO 0.08 -1.09 1.11 -1.58 -2.12 0.00 0.00 175.29 171.68 2ott s TRP 32 N -2.40 3.10 0.05 0.91 0.52 -1.26 -4.59 118.94 115.27 2ott s TRP 32 Ca 0.66 1.59 -0.11 0.00 0.02 0.00 0.00 56.10 58.26 2ott s TRP 32 Cb -0.19 -3.25 0.01 0.00 -1.15 0.00 0.00 33.47 28.89 2ott s TRP 32 CO 0.40 -1.03 0.23 0.00 0.02 0.00 0.00 176.95 176.57 2ott s ALA 33 N -1.59 -0.44 0.59 0.98 0.00 -0.74 -4.96 121.76 115.59 2ott s ALA 33 Ca 0.60 -0.24 -0.20 0.00 0.00 0.00 0.00 51.96 52.12 2ott s ALA 33 Cb -0.25 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 2ott s ALA 33 CO 0.31 -0.39 1.34 0.00 0.00 0.00 0.00 175.76 177.02 2ott s ALA 34 N -2.71 2.65 -0.01 0.00 0.00 -1.26 -0.47 121.76 119.96 2ott s ALA 34 Ca -0.04 1.31 -0.24 0.00 0.00 0.00 0.00 51.96 52.99 2ott s ALA 34 Cb -0.00 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 2ott s ALA 34 CO -0.05 -1.49 0.72 -1.17 0.00 0.00 0.00 175.76 173.78 2ott s LEU 35 N -3.86 4.39 -0.04 0.00 2.96 -0.29 -0.53 118.68 121.31 2ott s LEU 35 Ca 0.76 1.30 -0.12 0.00 -0.22 0.00 0.00 54.13 55.85 2ott s LEU 35 Cb -0.40 -3.13 -0.05 0.00 0.50 0.00 0.00 46.19 43.11 2ott s LEU 35 CO 0.45 -0.03 0.33 0.00 -1.32 0.00 0.00 176.35 175.77 2ott s ASP 37 N -1.04 1.82 -0.36 0.00 -1.08 0.24 -4.60 116.67 111.65 2ott s ASP 37 Ca 0.21 -0.82 0.05 0.00 -0.52 0.00 0.00 52.55 51.47 2ott s ASP 37 Cb -0.15 -0.04 0.17 0.00 -1.46 0.00 0.00 42.92 41.44 2ott s ASP 37 CO 0.10 -0.19 0.50 -0.94 0.52 0.00 0.00 175.17 175.17 2ott s SER 38 N -2.47 -0.32 0.00 -0.34 1.04 -1.26 -4.62 113.70 105.72 2ott s SER 38 Ca 0.08 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.68 2ott s SER 38 Cb -0.04 1.37 0.00 0.00 0.10 0.00 0.00 66.02 67.45 2ott s SER 38 CO 0.02 -0.25 0.00 -0.24 0.98 0.00 0.00 173.24 173.75 2ott n SER 43 N 4.68 0.00 0.21 7.02 2.88 -1.26 -5.23 113.62 121.91 2ott n SER 43 Ca 0.08 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.77 2ott n SER 43 Cb 0.51 0.00 0.74 0.00 -0.75 0.00 0.00 64.21 64.71 2ott n SER 43 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2ott h SER 44 N 0.00 0.00 -0.31 -3.46 0.02 -2.01 -3.12 113.55 104.66 2ott h SER 44 Ca 0.00 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 2ott h SER 44 Cb 0.00 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 2ott h SER 44 CO 0.00 0.00 -0.14 -0.07 -1.14 0.00 0.00 176.83 175.48 2ott h LEU 45 N 0.00 -0.47 -1.10 5.07 3.38 -2.00 -1.27 115.31 118.92 2ott h LEU 45 Ca 0.00 0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2ott h LEU 45 Cb 0.08 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2ott h LEU 45 CO 0.00 -0.17 0.05 -0.09 0.09 0.00 0.00 178.44 178.31 2ott h ARG 46 N -0.09 0.68 0.01 1.13 2.43 -1.79 -2.71 114.38 114.04 2ott h ARG 46 Ca 0.16 -0.15 -0.20 0.00 -0.81 0.00 0.00 59.98 58.98 2ott h ARG 46 Cb 0.33 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2ott h ARG 46 CO -0.37 0.66 -0.93 -1.49 -1.51 0.00 0.00 179.97 176.33 2ott h TRP 47 N 0.65 0.08 -0.48 2.20 -0.00 -1.55 -2.21 115.95 114.64 2ott h TRP 47 Ca 0.14 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.89 58.95 2ott h TRP 47 Cb 0.34 -0.01 -0.02 0.00 -0.00 0.00 0.00 29.16 29.47 2ott h TRP 47 CO 0.02 0.95 0.20 1.49 -0.00 0.00 0.00 178.44 181.10 2ott h GLU 48 N 0.02 0.71 -0.30 0.49 4.57 -1.08 0.81 114.58 119.81 2ott h GLU 48 Ca -0.02 -0.12 0.03 0.00 -1.18 0.00 0.00 59.36 58.06 2ott h GLU 48 Cb 1.62 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 30.07 2ott h GLU 48 CO 0.13 0.63 0.13 0.93 -1.18 0.00 0.00 179.01 179.65 2ott h GLU 49 N 0.64 0.27 -0.64 1.92 4.39 -1.29 -1.44 114.58 118.42 2ott h GLU 49 Ca 0.16 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.87 2ott h GLU 49 Cb 0.18 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 2ott h GLU 49 CO -0.02 0.18 0.40 0.28 -1.16 0.00 0.00 179.01 178.69 2ott h VAL 50 N 0.27 1.09 -0.27 3.13 2.07 -0.95 -0.51 116.25 121.09 2ott h VAL 50 Ca 0.13 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 2ott h VAL 50 Cb 0.07 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 2ott h VAL 50 CO -0.11 0.14 0.14 0.00 0.02 0.00 0.00 177.57 177.77 2ott h ARG 52 N 0.31 0.00 0.00 0.00 2.47 -0.92 -2.08 114.38 114.16 2ott h ARG 52 Ca 0.09 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.76 2ott h ARG 52 Cb 0.07 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 2ott h ARG 52 CO -0.01 0.57 -0.24 1.49 0.56 0.00 0.00 179.97 182.34 2ott h GLU 53 N 0.00 0.00 0.00 0.04 4.81 -1.06 0.47 114.58 118.84 2ott h GLU 53 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2ott h GLU 53 Cb 1.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2ott h GLU 53 CO 0.07 0.24 0.00 1.04 -0.73 0.00 0.00 179.01 179.63 2ott n GLN 54 N -3.94 0.19 -2.22 1.92 1.13 -0.82 -4.91 117.38 108.74 2ott n GLN 54 Ca -0.02 0.05 -0.13 0.00 -1.94 0.00 0.00 57.00 54.96 2ott n GLN 54 Cb 0.32 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.16 2ott n GLN 54 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2ott n GLN 55 N -1.39 -1.06 -1.73 -1.09 7.27 0.16 -5.03 117.38 114.51 2ott n GLN 55 Ca 0.09 0.66 -0.10 0.00 0.07 0.00 0.00 57.00 57.72 2ott n GLN 55 Cb 0.25 -4.89 0.04 0.00 2.41 0.00 0.00 30.24 28.05 2ott n GLN 55 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2ott n GLY 57 N 1.60 -0.23 3.81 0.00 0.00 0.19 -4.48 105.19 106.09 2ott n GLY 57 Ca 0.08 -1.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.02 2ott n GLY 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ott s SER 58 N -1.00 5.32 0.22 1.61 0.01 -1.26 -4.29 113.70 114.32 2ott s SER 58 Ca 0.00 1.64 -0.31 0.00 1.31 0.00 0.00 55.95 58.59 2ott s SER 58 Cb 0.00 -2.50 -0.11 0.00 0.21 0.00 0.00 66.02 63.62 2ott s SER 58 CO 0.00 -1.48 1.58 0.54 0.41 0.00 0.00 173.24 174.29 2ott s VAL 59 N -3.01 2.35 -0.45 3.43 0.11 -1.26 -0.69 120.40 120.88 2ott s VAL 59 Ca 0.58 0.27 0.12 0.00 -2.93 0.00 0.00 61.98 60.02 2ott s VAL 59 Cb -0.14 -3.17 -0.14 0.00 -1.53 0.00 0.00 36.38 31.39 2ott s VAL 59 CO 0.54 0.03 0.45 -0.46 -3.33 0.00 0.00 175.10 172.34 2ott n ASN 60 N 3.20 0.89 -3.66 3.54 2.04 0.10 -4.79 115.26 116.58 2ott n ASN 60 Ca 0.11 -0.62 -0.02 0.00 -0.44 0.00 0.00 54.58 53.61 2ott n ASN 60 Cb 0.38 1.11 -0.01 0.00 -2.53 0.00 0.00 39.78 38.73 2ott n ASN 60 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 2ott s SER 61 N -2.37 -0.16 0.07 0.53 1.04 -1.03 -5.00 113.70 106.78 2ott s SER 61 Ca 0.03 -0.22 -0.26 0.00 0.48 0.00 0.00 55.95 55.98 2ott s SER 61 Cb 0.09 0.33 0.07 0.00 0.10 0.00 0.00 66.02 66.60 2ott s SER 61 CO 0.49 -0.59 0.62 -0.72 0.98 0.00 0.00 173.24 174.01 2ott s TYR 62 N -2.88 -0.57 -0.06 5.02 1.13 -1.26 -1.26 117.35 117.48 2ott s TYR 62 Ca 0.12 0.63 -0.09 0.00 -1.41 0.00 0.00 57.07 56.32 2ott s TYR 62 Cb 0.01 0.48 0.02 0.00 -1.10 0.00 0.00 41.96 41.37 2ott s TYR 62 CO -0.02 -0.74 0.23 -0.98 -2.51 0.00 0.00 175.55 171.53 2ott s ARG 63 N -2.68 0.40 0.04 -3.49 1.70 -0.45 -4.97 118.95 109.49 2ott s ARG 63 Ca -0.04 0.07 -0.27 0.00 -0.47 0.00 0.00 55.73 55.02 2ott s ARG 63 Cb -0.01 0.18 -0.05 0.00 -0.57 0.00 0.00 34.95 34.51 2ott s ARG 63 CO -0.03 -0.08 0.83 0.08 -1.08 0.00 0.00 175.30 175.02 2ott s VAL 64 N -0.48 4.75 0.14 4.99 1.01 -1.26 -0.92 120.40 128.63 2ott s VAL 64 Ca -0.06 1.77 0.08 0.00 0.00 0.00 0.00 61.98 63.78 2ott s VAL 64 Cb -0.04 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 2ott s VAL 64 CO 0.01 0.30 -0.12 -0.76 0.00 0.00 0.00 175.10 174.54 2ott s LEU 65 N 0.26 2.92 0.00 3.92 1.43 -0.44 -4.81 118.68 121.95 2ott s LEU 65 Ca 0.42 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 2ott s LEU 65 Cb -0.21 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.34 2ott s LEU 65 CO 0.25 0.14 0.00 0.47 0.23 0.00 0.00 176.35 177.44 2ott n ASP 66 N 0.42 -3.71 -4.59 2.29 10.43 -1.26 -1.78 116.55 118.35 2ott n ASP 66 Ca -0.13 0.00 -0.47 0.00 2.57 0.00 0.00 54.79 56.77 2ott n ASP 66 Cb 0.54 -1.42 -0.03 0.00 1.84 0.00 0.00 41.12 42.05 2ott n ASP 66 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2ott n ALA 67 N 1.00 -0.43 -0.95 2.24 0.00 -1.26 -2.00 120.51 119.11 2ott n ALA 67 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2ott n ALA 67 Cb 0.15 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.56 2ott n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ott n GLY 68 N 1.69 0.54 3.38 0.00 0.00 -1.26 -5.01 105.19 104.53 2ott n GLY 68 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2ott n GLY 68 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ott s ASP 69 N -2.04 5.80 0.53 1.61 -1.08 -0.85 -4.96 116.67 115.68 2ott s ASP 69 Ca 0.00 -1.05 0.34 0.00 -0.52 0.00 0.00 52.55 51.32 2ott s ASP 69 Cb 0.00 -2.05 1.43 0.00 -1.46 0.00 0.00 42.92 40.84 2ott s ASP 69 CO 0.00 -0.42 1.99 1.55 0.52 0.00 0.00 175.17 178.81 2ott h PRO 70 N 8.48 0.00 -0.01 4.34 0.13 -1.95 -2.50 132.00 140.49 2ott h PRO 70 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2ott h PRO 70 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2ott h PRO 70 CO 0.69 0.00 -0.08 0.25 -0.23 0.00 0.00 178.00 178.64 2ott n THR 71 N -2.98 0.00 -2.58 1.56 -2.24 -1.26 -3.06 114.28 103.72 2ott n THR 71 Ca 0.00 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.26 2ott n THR 71 Cb 0.27 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.46 2ott n THR 71 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2ott s SER 72 N -2.29 7.04 0.27 3.42 0.15 -0.95 -4.88 113.70 116.45 2ott s SER 72 Ca 0.34 1.49 0.07 0.00 0.70 0.00 0.00 55.95 58.54 2ott s SER 72 Cb 0.21 -2.54 -0.06 0.00 -1.71 0.00 0.00 66.02 61.92 2ott s SER 72 CO 0.43 -0.71 -0.06 0.00 1.20 0.00 0.00 173.24 174.10 2ott s ARG 73 N 3.31 1.51 0.00 5.44 1.04 -1.26 -1.19 118.95 127.80 2ott s ARG 73 Ca 0.48 -1.75 0.00 0.00 -1.04 0.00 0.00 55.73 53.41 2ott s ARG 73 Cb -0.17 -1.11 0.00 0.00 -2.04 0.00 0.00 34.95 31.62 2ott s ARG 73 CO 0.09 0.05 0.00 0.41 -0.04 0.00 0.00 175.30 175.81 2ott n GLY 74 N -0.55 -0.81 3.29 3.88 0.00 -0.22 -4.44 105.19 106.34 2ott n GLY 74 Ca -0.06 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 2ott n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ott s LEU 75 N 0.00 2.43 0.00 0.99 1.43 0.31 -1.96 118.68 121.89 2ott s LEU 75 Ca 0.00 -0.85 -0.04 0.00 -1.03 0.00 0.00 54.13 52.21 2ott s LEU 75 Cb 0.00 -0.68 -0.01 0.00 0.03 0.00 0.00 46.19 45.53 2ott s LEU 75 CO 0.00 -0.10 0.06 0.12 0.23 0.00 0.00 176.35 176.66 2ott s PHE 76 N -2.18 0.10 -0.13 0.29 2.19 0.30 -0.05 117.98 118.49 2ott s PHE 76 Ca 0.13 -0.22 -0.03 0.00 0.33 0.00 0.00 56.93 57.14 2ott s PHE 76 Cb -0.05 -0.09 0.05 0.00 -1.31 0.00 0.00 43.02 41.62 2ott s PHE 76 CO 0.05 -0.21 0.04 0.00 1.83 0.00 0.00 175.22 176.93 2ott n PRO 78 N 5.15 3.63 -3.64 0.00 -0.04 -1.26 -4.81 135.00 134.03 2ott n PRO 78 Ca -0.07 -3.49 -0.07 0.00 -0.04 0.00 0.00 63.50 59.83 2ott n PRO 78 Cb 0.49 -2.93 -0.07 0.00 -0.04 0.00 0.00 33.50 30.95 2ott n PRO 78 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2ott s HIS 79 N 0.42 -0.39 0.20 0.54 3.76 -1.26 -5.07 115.29 113.47 2ott s HIS 79 Ca 0.40 0.93 -0.12 0.00 -0.15 0.00 0.00 55.06 56.12 2ott s HIS 79 Cb 0.10 0.38 0.23 0.00 1.11 0.00 0.00 32.58 34.40 2ott s HIS 79 CO -0.00 -0.19 1.71 0.37 -0.85 0.00 0.00 174.74 175.77 2ott h GLN 80 N 4.25 0.22 -5.68 1.40 5.75 -1.95 -3.40 115.11 115.69 2ott h GLN 80 Ca -0.28 -0.01 -0.66 0.00 -0.15 0.00 0.00 58.65 57.55 2ott h GLN 80 Cb 1.18 -0.05 -0.18 0.00 1.07 0.00 0.00 27.48 29.51 2ott h GLN 80 CO 0.14 0.14 -0.63 0.15 -2.65 0.00 0.00 178.83 175.98 2ott s LYS 81 N -6.13 3.31 0.18 1.69 1.02 -1.26 -4.60 119.74 113.95 2ott s LYS 81 Ca -0.13 -0.45 -0.15 0.00 0.02 0.00 0.00 55.97 55.27 2ott s LYS 81 Cb 0.17 -2.87 0.16 0.00 -0.52 0.00 0.00 37.83 34.77 2ott s LYS 81 CO 0.73 0.50 1.67 -0.07 -0.92 0.00 0.00 175.35 177.26 2ott h LEU 82 N 5.85 -0.30 0.00 3.17 4.07 -1.92 -1.19 115.31 124.99 2ott h LEU 82 Ca -0.43 0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.66 2ott h LEU 82 Cb 1.19 0.24 0.00 0.00 1.08 0.00 0.00 40.66 43.17 2ott h LEU 82 CO 0.59 -0.11 0.02 -1.54 -1.08 0.00 0.00 178.44 176.32 2ott n SER 83 N -5.28 0.00 -0.67 -0.43 3.41 -1.26 -1.38 113.62 108.01 2ott n SER 83 Ca 0.05 0.19 0.04 0.00 -0.26 0.00 0.00 58.87 58.89 2ott n SER 83 Cb 0.26 -0.19 0.20 0.00 -0.26 0.00 0.00 64.21 64.22 2ott n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ott n GLN 84 N -1.17 1.64 -3.66 4.33 6.02 -0.45 -4.97 117.38 119.12 2ott n GLN 84 Ca 0.00 -3.19 -0.38 0.00 -0.01 0.00 0.00 57.00 53.42 2ott n GLN 84 Cb 0.02 -1.66 -0.12 0.00 1.02 0.00 0.00 30.24 29.50 2ott n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ott h HIS 86 N 8.35 0.00 -2.65 0.00 3.86 -1.93 -3.43 115.15 119.35 2ott h HIS 86 Ca -0.32 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 58.78 2ott h HIS 86 Cb 1.15 0.00 -0.24 0.00 1.06 0.00 0.00 27.41 29.37 2ott h HIS 86 CO 0.64 0.28 -0.22 -2.00 0.86 0.00 0.00 177.93 177.49 2ott s GLU 87 N -3.26 0.49 0.14 2.45 2.56 -1.26 -4.99 118.70 114.83 2ott s GLU 87 Ca 0.04 0.67 -0.08 0.00 0.00 0.00 0.00 54.97 55.60 2ott s GLU 87 Cb 0.08 0.18 -0.06 0.00 2.00 0.00 0.00 34.13 36.33 2ott s GLU 87 CO 0.69 -0.09 0.42 -0.51 -0.56 0.00 0.00 175.26 175.21 2ott s LEU 88 N 0.54 4.27 0.06 2.70 1.43 -1.26 -4.86 118.68 121.56 2ott s LEU 88 Ca -0.02 0.73 0.04 0.00 -1.03 0.00 0.00 54.13 53.85 2ott s LEU 88 Cb -0.04 -3.29 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 2ott s LEU 88 CO -0.03 0.06 -0.00 0.26 0.23 0.00 0.00 176.35 176.87 2ott s TRP 89 N -1.61 3.01 0.14 0.29 0.51 -0.16 -4.89 118.94 116.23 2ott s TRP 89 Ca 0.40 0.00 -0.26 0.00 -2.12 0.00 0.00 56.10 54.12 2ott s TRP 89 Cb -0.13 -1.58 -0.07 0.00 -0.81 0.00 0.00 33.47 30.89 2ott s TRP 89 CO 0.22 0.47 0.80 -1.21 -0.51 0.00 0.00 176.95 176.71 2ott s GLU 90 N -2.06 4.58 -0.32 4.98 2.02 -1.26 -0.54 118.70 126.10 2ott s GLU 90 Ca 0.24 1.18 0.02 0.00 0.02 0.00 0.00 54.97 56.42 2ott s GLU 90 Cb -0.12 -3.30 0.10 0.00 0.10 0.00 0.00 34.13 30.92 2ott s GLU 90 CO 0.16 0.47 0.07 0.50 0.02 0.00 0.00 175.26 176.47 2ott s ARG 91 N -0.80 1.15 0.00 1.61 3.52 -0.83 -4.92 118.95 118.68 2ott s ARG 91 Ca 0.38 -1.47 0.14 0.00 -0.13 0.00 0.00 55.73 54.64 2ott s ARG 91 Cb -0.23 -2.63 0.49 0.00 -1.56 0.00 0.00 34.95 31.02 2ott s ARG 91 CO 0.26 -0.94 1.37 0.09 -0.81 0.00 0.00 175.30 175.27 2ott n ASN 92 N 4.54 1.49 -3.49 -2.12 3.02 -1.26 -1.06 115.26 116.39 2ott n ASN 92 Ca 0.00 -1.86 -0.15 0.00 -0.03 0.00 0.00 54.58 52.54 2ott n ASN 92 Cb 0.42 -0.15 -0.04 0.00 -0.61 0.00 0.00 39.78 39.40 2ott n ASN 92 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2ott s SER 93 N -1.24 -0.60 -1.59 6.41 1.04 -1.24 -4.59 113.70 111.90 2ott s SER 93 Ca 0.25 0.39 -0.03 0.00 0.48 0.00 0.00 55.95 57.03 2ott s SER 93 Cb 0.13 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.82 2ott s SER 93 CO 0.18 -0.76 0.32 -1.22 0.98 0.00 0.00 173.24 172.74 2ott n TYR 94 N 0.36 -1.55 -2.39 5.02 4.01 -0.82 -4.89 117.16 116.90 2ott n TYR 94 Ca -0.18 0.28 -0.43 0.00 -0.16 0.00 0.00 57.90 57.41 2ott n TYR 94 Cb 0.60 -4.06 -0.02 0.00 -0.31 0.00 0.00 39.34 35.55 2ott n TYR 94 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ott s LYS 96 N 3.00 3.86 0.78 0.00 1.02 -1.26 -4.68 119.74 122.47 2ott s LYS 96 Ca 0.57 0.37 -0.04 0.00 0.02 0.00 0.00 55.97 56.90 2ott s LYS 96 Cb -0.24 -3.76 0.15 0.00 -0.52 0.00 0.00 37.83 33.47 2ott s LYS 96 CO 0.19 -0.69 1.08 0.15 -0.92 0.00 0.00 175.35 175.16 2ott s LYS 97 N 2.85 1.37 -0.02 1.68 1.02 -0.73 -0.59 119.74 125.31 2ott s LYS 97 Ca 0.29 -1.05 0.01 0.00 0.02 0.00 0.00 55.97 55.23 2ott s LYS 97 Cb -0.14 -2.23 0.02 0.00 -0.52 0.00 0.00 37.83 34.95 2ott s LYS 97 CO 0.13 -1.71 -0.02 0.08 -0.92 0.00 0.00 175.35 172.92 2ott s VAL 98 N -3.32 0.24 -0.25 3.17 1.01 -1.26 -1.33 120.40 118.67 2ott s VAL 98 Ca 0.69 -0.01 -0.08 0.00 0.00 0.00 0.00 61.98 62.58 2ott s VAL 98 Cb -0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 2ott s VAL 98 CO 0.46 0.13 0.08 0.12 0.00 0.00 0.00 175.10 175.89 2ott s PHE 99 N 0.66 3.09 -0.07 5.22 5.36 -0.10 -0.55 117.98 131.60 2ott s PHE 99 Ca -0.07 -0.40 0.01 0.00 -0.96 0.00 0.00 56.93 55.51 2ott s PHE 99 Cb -0.10 -2.25 -0.03 0.00 -0.34 0.00 0.00 43.02 40.30 2ott s PHE 99 CO -0.01 -0.35 -0.09 0.08 -1.46 0.00 0.00 175.22 173.39 2ott s VAL 100 N 1.62 3.52 -0.16 3.12 1.01 -0.02 -1.33 120.40 128.16 2ott s VAL 100 Ca 0.06 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.51 2ott s VAL 100 Cb -0.15 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.81 2ott s VAL 100 CO 0.04 0.59 -0.19 0.28 0.00 0.00 0.00 175.10 175.82 2ott s THR 101 N -0.65 1.93 0.17 3.92 -1.32 -0.39 -1.09 115.64 118.21 2ott s THR 101 Ca 0.10 -0.87 0.02 0.00 -1.21 0.00 0.00 61.69 59.73 2ott s THR 101 Cb -0.11 -1.74 -0.04 0.00 -1.51 0.00 0.00 72.50 69.10 2ott s THR 101 CO 0.02 0.52 0.31 0.00 -2.21 0.00 0.00 174.62 173.26 2ott s GLN 103 N -3.35 2.35 0.00 0.00 -0.21 0.13 -4.74 119.66 113.84 2ott s GLN 103 Ca 0.35 1.61 0.00 0.00 0.02 0.00 0.00 55.36 57.34 2ott s GLN 103 Cb -0.11 -1.87 0.00 0.00 1.00 0.00 0.00 33.01 32.03 2ott s GLN 103 CO 0.29 -1.64 0.42 -0.25 -2.12 0.00 0.00 175.29 171.98