#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bed s LYS 4 N 0.00 3.97 -0.05 -0.52 1.02 -0.23 -4.82 119.74 119.10 3bed s LYS 4 Ca 0.00 1.65 0.03 0.00 0.02 0.00 0.00 55.97 57.67 3bed s LYS 4 Cb 0.00 -2.49 -0.03 0.00 -0.52 0.00 0.00 37.83 34.80 3bed s LYS 4 CO 0.00 -0.34 -0.12 -1.17 -0.92 0.00 0.00 175.35 172.80 3bed s LEU 5 N -2.81 2.87 -0.04 3.17 2.96 -1.26 -0.55 118.68 123.01 3bed s LEU 5 Ca 0.60 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.38 3bed s LEU 5 Cb -0.26 -1.60 0.02 0.00 0.50 0.00 0.00 46.19 44.85 3bed s LEU 5 CO 0.32 0.35 -0.06 -0.63 -1.32 0.00 0.00 176.35 175.01 3bed s ILE 6 N -0.77 0.60 0.49 6.68 1.01 -0.32 -1.70 121.20 127.18 3bed s ILE 6 Ca 0.12 -0.17 0.08 0.00 0.00 0.00 0.00 60.65 60.68 3bed s ILE 6 Cb -0.11 -0.60 0.03 0.00 0.01 0.00 0.00 42.46 41.79 3bed s ILE 6 CO 0.01 0.23 0.56 -0.76 0.00 0.00 0.00 174.94 174.99 3bed s LEU 7 N 0.78 3.27 0.00 2.97 1.43 0.30 -0.84 118.68 126.59 3bed s LEU 7 Ca -0.11 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 3bed s LEU 7 Cb -0.14 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.12 3bed s LEU 7 CO 0.01 -0.96 0.00 -1.54 0.23 0.00 0.00 176.35 174.08 3bed n SER 9 N -1.88 0.00 -4.76 2.29 3.41 -0.77 -1.24 113.62 110.67 3bed n SER 9 Ca 0.08 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.27 3bed n SER 9 Cb 0.61 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.55 3bed n SER 9 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3bed s HIS 10 N -2.00 2.78 0.00 7.33 3.76 -1.26 -4.36 115.29 121.54 3bed s HIS 10 Ca 0.00 0.94 0.00 0.00 -0.15 0.00 0.00 55.06 55.85 3bed s HIS 10 Cb 0.00 -3.99 0.00 0.00 1.11 0.00 0.00 32.58 29.70 3bed s HIS 10 CO 0.00 -3.21 0.00 0.41 -0.85 0.00 0.00 174.74 171.09 3bed n GLY 11 N 1.76 1.04 3.38 -2.22 0.00 -1.26 -4.64 105.19 103.25 3bed n GLY 11 Ca 0.06 -0.60 -0.45 0.00 0.00 0.00 0.00 46.02 45.03 3bed n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bed s ARG 12 N 0.00 3.90 0.00 1.61 0.52 -1.26 -4.51 118.95 119.21 3bed s ARG 12 Ca 0.00 -2.61 0.00 0.00 -0.52 0.00 0.00 55.73 52.60 3bed s ARG 12 Cb 0.00 -4.69 0.00 0.00 0.52 0.00 0.00 34.95 30.78 3bed s ARG 12 CO 0.00 -1.46 0.00 0.00 0.02 0.00 0.00 175.30 173.86 3bed n ALA 14 N 4.36 0.00 -0.28 2.13 0.00 -1.26 -1.65 120.51 123.81 3bed n ALA 14 Ca 0.24 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.69 3bed n ALA 14 Cb 0.44 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.03 3bed n ALA 14 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3bed h GLU 15 N 0.00 0.78 0.00 0.00 4.81 -1.89 -1.33 114.58 116.95 3bed h GLU 15 Ca 0.00 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.00 3bed h GLU 15 Cb 0.00 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 3bed h GLU 15 CO 0.00 0.52 -0.83 0.93 -0.73 0.00 0.00 179.01 178.89 3bed h GLU 16 N 0.81 0.04 -0.86 1.92 4.39 -1.73 -2.28 114.58 116.87 3bed h GLU 16 Ca 0.37 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 60.03 3bed h GLU 16 Cb 0.27 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.90 3bed h GLU 16 CO -0.21 0.85 0.56 1.15 -1.16 0.00 0.00 179.01 180.19 3bed h THR 17 N 0.02 1.23 -0.22 1.13 2.02 -1.70 0.11 112.91 115.50 3bed h THR 17 Ca -0.02 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 3bed h THR 17 Cb 1.47 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3bed h THR 17 CO 0.11 0.22 0.10 0.25 0.37 0.00 0.00 175.52 176.57 3bed h LEU 18 N 1.17 0.30 -0.71 2.58 5.85 -1.10 0.43 115.31 123.84 3bed h LEU 18 Ca 0.31 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3bed h LEU 18 Cb -0.12 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 3bed h LEU 18 CO -0.07 0.37 0.44 0.00 -0.34 0.00 0.00 178.44 178.84 3bed h ALA 19 N 0.94 0.90 -0.86 1.25 0.00 -1.05 -0.69 119.26 119.76 3bed h ALA 19 Ca 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3bed h ALA 19 Cb 0.16 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3bed h ALA 19 CO -0.01 0.36 0.50 0.77 0.00 0.00 0.00 179.25 180.88 3bed h SER 20 N 0.96 1.04 -0.81 0.00 0.02 -0.60 -2.40 113.55 111.77 3bed h SER 20 Ca 0.26 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3bed h SER 20 Cb -0.05 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.19 3bed h SER 20 CO -0.05 0.81 0.46 0.74 -1.14 0.00 0.00 176.83 177.65 3bed h THR 21 N 1.19 1.24 0.00 -2.27 2.02 -0.21 -3.28 112.91 111.60 3bed h THR 21 Ca 0.31 -0.57 -0.09 0.00 0.77 0.00 0.00 66.41 66.83 3bed h THR 21 Cb -0.02 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.48 3bed h THR 21 CO -0.05 0.26 0.21 0.00 0.37 0.00 0.00 175.52 176.31 3bed n GLN 22 N -4.35 0.86 0.00 6.66 6.02 -0.33 -1.13 117.38 125.11 3bed n GLN 22 Ca 0.09 -0.45 0.00 0.00 -0.01 0.00 0.00 57.00 56.63 3bed n GLN 22 Cb 0.09 -1.73 0.00 0.00 1.02 0.00 0.00 30.24 29.62 3bed n GLN 22 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3bed n ILE 24 N 2.86 0.00 0.05 5.09 5.41 -1.24 -1.08 119.36 130.45 3bed n ILE 24 Ca 0.18 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.94 3bed n ILE 24 Cb 0.37 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.30 3bed n ILE 24 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 3bed n VAL 25 N 0.00 0.00 -4.52 1.39 0.24 -0.28 -5.11 118.33 110.04 3bed n VAL 25 Ca 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 3bed n VAL 25 Cb 0.00 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.39 3bed n VAL 25 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bed n GLY 26 N 0.26 1.41 0.07 7.63 0.00 -0.24 -3.41 105.19 110.91 3bed n GLY 26 Ca 0.01 -0.69 0.09 0.00 0.00 0.00 0.00 46.02 45.43 3bed n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3bed n GLU 27 N 10.00 0.09 0.28 1.61 4.71 -1.26 -2.36 120.64 133.72 3bed n GLU 27 Ca 0.00 0.39 0.14 0.00 -0.01 0.00 0.00 57.16 57.68 3bed n GLU 27 Cb 0.00 -1.70 0.86 0.00 -1.01 0.00 0.00 31.44 29.59 3bed n GLU 27 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 3bed h LEU 28 N 0.00 0.00 -8.47 -4.62 3.38 -1.93 -3.36 115.31 100.31 3bed h LEU 28 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 3bed h LEU 28 Cb 0.24 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.88 3bed h LEU 28 CO 0.00 0.00 0.70 0.00 0.09 0.00 0.00 178.44 179.23 3bed s ALA 29 N -4.71 3.08 -0.26 1.53 0.00 -0.99 -4.82 121.76 115.58 3bed s ALA 29 Ca -0.05 -1.24 -0.02 0.00 0.00 0.00 0.00 51.96 50.66 3bed s ALA 29 Cb 0.15 -3.87 0.08 0.00 0.00 0.00 0.00 23.12 19.49 3bed s ALA 29 CO 0.57 -2.59 0.07 0.34 0.00 0.00 0.00 175.76 174.15 3bed s ASP 30 N 3.06 3.59 0.05 0.00 2.15 -1.26 -4.92 116.67 119.34 3bed s ASP 30 Ca 0.33 -1.30 0.06 0.00 0.43 0.00 0.00 52.55 52.06 3bed s ASP 30 Cb -0.11 -0.74 -0.02 0.00 -0.30 0.00 0.00 42.92 41.74 3bed s ASP 30 CO 0.19 -0.37 -0.16 0.00 -0.17 0.00 0.00 175.17 174.67 3bed s ALA 31 N 1.73 1.30 0.67 3.66 0.00 -1.26 -4.62 121.76 123.24 3bed s ALA 31 Ca 0.05 -0.93 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 3bed s ALA 31 Cb -0.17 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.76 3bed s ALA 31 CO -0.19 0.24 1.09 0.00 0.00 0.00 0.00 175.76 176.91 3bed s ALA 32 N -0.96 2.49 -0.07 0.00 0.00 -0.69 -4.86 121.76 117.67 3bed s ALA 32 Ca 0.02 0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.44 3bed s ALA 32 Cb -0.09 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.76 3bed s ALA 32 CO 0.02 -1.29 -0.14 0.42 0.00 0.00 0.00 175.76 174.76 3bed s ILE 33 N -2.52 1.27 -0.25 0.00 -1.09 -1.26 -0.54 121.20 116.82 3bed s ILE 33 Ca 0.65 -0.57 -0.01 0.00 -2.23 0.00 0.00 60.65 58.48 3bed s ILE 33 Cb -0.19 -1.14 0.03 0.00 -1.58 0.00 0.00 42.46 39.58 3bed s ILE 33 CO 0.45 0.38 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.78 3bed s VAL 34 N 0.53 2.79 0.00 2.92 1.01 -0.37 -4.98 120.40 122.30 3bed s VAL 34 Ca -0.13 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.77 3bed s VAL 34 Cb -0.15 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.80 3bed s VAL 34 CO 0.04 0.19 0.00 -1.20 0.00 0.00 0.00 175.10 174.13 3bed n SER 35 N 4.65 1.20 -3.89 3.32 7.64 -1.26 -1.85 113.62 123.43 3bed n SER 35 Ca -0.16 -0.25 -0.09 0.00 1.01 0.00 0.00 58.87 59.38 3bed n SER 35 Cb 0.47 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.62 3bed n SER 35 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3bed s THR 37 N 0.99 0.01 0.30 0.44 -4.23 -1.26 -4.70 115.64 107.19 3bed s THR 37 Ca 0.00 -1.13 0.24 0.00 -1.18 0.00 0.00 61.69 59.62 3bed s THR 37 Cb 0.00 -1.96 0.24 0.00 1.34 0.00 0.00 72.50 72.13 3bed s THR 37 CO 0.00 -0.05 1.94 0.00 -0.54 0.00 0.00 174.62 175.97 3bed h ALA 38 N 2.19 1.18 -0.07 3.99 0.00 -2.01 -2.44 119.26 122.09 3bed h ALA 38 Ca -0.25 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.34 3bed h ALA 38 Cb 1.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3bed h ALA 38 CO 0.34 0.24 -0.56 1.49 0.00 0.00 0.00 179.25 180.76 3bed h GLU 39 N 0.00 0.22 0.28 0.00 4.22 -2.05 -3.30 114.58 113.95 3bed h GLU 39 Ca -0.00 -0.14 -0.01 0.00 0.08 0.00 0.00 59.36 59.28 3bed h GLU 39 Cb 0.54 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 3bed h GLU 39 CO 0.03 0.73 -0.16 -0.44 -2.18 0.00 0.00 179.01 176.98 3bed h ASP 40 N 0.17 -0.39 -0.59 1.04 3.32 -1.84 -3.47 116.42 114.66 3bed h ASP 40 Ca -0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3bed h ASP 40 Cb 1.05 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3bed h ASP 40 CO 0.09 -0.26 0.00 0.61 -1.72 0.00 0.00 179.24 177.95 3bed n GLY 41 N -1.28 -0.16 0.07 2.75 0.00 -1.22 -1.15 105.19 104.20 3bed n GLY 41 Ca -0.09 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 3bed n GLY 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3bed h LEU 42 N 0.00 0.10 -0.47 0.99 5.85 -1.95 -2.11 115.31 117.72 3bed h LEU 42 Ca 0.00 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.50 3bed h LEU 42 Cb 0.00 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3bed h LEU 42 CO 0.00 0.17 -0.19 0.77 -0.34 0.00 0.00 178.44 178.84 3bed h SER 43 N 0.02 0.99 -0.49 1.25 4.64 -1.99 0.57 113.55 118.55 3bed h SER 43 Ca 0.03 -0.39 -0.04 0.00 -0.47 0.00 0.00 61.79 60.92 3bed h SER 43 Cb 0.09 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 3bed h SER 43 CO -0.00 1.16 0.15 1.23 -0.87 0.00 0.00 176.83 178.50 3bed h GLY 44 N 0.82 0.82 0.97 -0.77 0.00 -1.11 -0.83 103.07 102.96 3bed h GLY 44 Ca 0.11 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 3bed h GLY 44 CO 0.06 0.45 0.14 -0.84 0.00 0.00 0.00 176.54 176.35 3bed h THR 45 N 0.66 1.09 -0.80 4.70 2.02 -1.25 -1.51 112.91 117.81 3bed h THR 45 Ca 0.16 -0.22 0.09 0.00 0.77 0.00 0.00 66.41 67.22 3bed h THR 45 Cb 0.27 0.82 -0.07 0.00 -1.74 0.00 0.00 68.15 67.43 3bed h THR 45 CO -0.01 0.09 0.44 1.56 0.37 0.00 0.00 175.52 177.98 3bed h GLN 46 N 0.28 0.72 -0.44 6.66 4.20 -0.67 -1.54 115.11 124.33 3bed h GLN 46 Ca 0.08 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.64 3bed h GLN 46 Cb 0.02 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3bed h GLN 46 CO -0.02 0.48 -0.15 0.00 -0.67 0.00 0.00 178.83 178.47 3bed h ALA 47 N 1.45 0.91 -0.22 3.87 0.00 -0.85 0.88 119.26 125.30 3bed h ALA 47 Ca 0.39 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3bed h ALA 47 Cb 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3bed h ALA 47 CO -0.25 0.62 0.05 0.87 0.00 0.00 0.00 179.25 180.54 3bed h LYS 48 N 0.73 0.36 -0.49 0.00 1.57 -0.97 -1.20 116.57 116.56 3bed h LYS 48 Ca 0.11 -0.09 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 3bed h LYS 48 Cb 0.66 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 3bed h LYS 48 CO 0.05 0.47 -0.14 1.25 -0.57 0.00 0.00 179.45 180.51 3bed h LEU 49 N 0.18 0.97 -1.21 2.94 5.85 -1.12 -3.07 115.31 119.83 3bed h LEU 49 Ca 0.07 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 3bed h LEU 49 Cb 0.28 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3bed h LEU 49 CO 0.00 1.11 0.24 0.00 -0.34 0.00 0.00 178.44 179.45 3bed h ALA 50 N 0.89 1.39 -0.62 1.25 0.00 -0.60 -0.56 119.26 121.00 3bed h ALA 50 Ca 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3bed h ALA 50 Cb 0.70 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3bed h ALA 50 CO 0.05 0.47 0.30 0.00 0.00 0.00 0.00 179.25 180.08 3bed h ALA 51 N 1.48 1.36 -0.05 0.00 0.00 -1.13 0.26 119.26 121.18 3bed h ALA 51 Ca 0.19 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3bed h ALA 51 Cb 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3bed h ALA 51 CO -0.02 0.50 -0.18 0.82 0.00 0.00 0.00 179.25 180.37 3bed h ILE 52 N 0.88 1.45 -0.09 0.00 2.04 -1.30 -2.59 117.51 117.89 3bed h ILE 52 Ca 0.22 -1.60 -0.12 0.00 1.00 0.00 0.00 64.86 64.35 3bed h ILE 52 Cb 0.08 2.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 3bed h ILE 52 CO -0.03 0.45 -0.49 -0.07 0.00 0.00 0.00 178.15 178.01 3bed h LEU 53 N -0.32 0.26 -0.30 1.44 3.38 -0.96 -2.22 115.31 116.58 3bed h LEU 53 Ca -0.01 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.65 3bed h LEU 53 Cb 0.82 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3bed h LEU 53 CO 0.04 0.71 -0.53 0.50 0.09 0.00 0.00 178.44 179.25 3bed h LYS 54 N 0.19 0.88 0.00 1.13 3.64 -1.04 -0.86 116.57 120.51 3bed h LYS 54 Ca 0.01 -0.55 -0.06 0.00 -1.27 0.00 0.00 60.65 58.77 3bed h LYS 54 Cb 0.94 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 3bed h LYS 54 CO 0.08 1.19 -0.30 1.49 -2.27 0.00 0.00 179.45 179.63 3bed h GLU 55 N 0.67 0.00 0.06 1.90 4.22 -1.11 -3.02 114.58 117.30 3bed h GLU 55 Ca 0.02 0.00 -0.28 0.00 0.08 0.00 0.00 59.36 59.17 3bed h GLU 55 Cb 1.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 3bed h GLU 55 CO 0.12 0.30 -1.48 0.00 -2.18 0.00 0.00 179.01 175.77 3bed h ALA 56 N 1.70 0.43 -0.45 2.92 0.00 -1.28 -3.51 119.26 119.07 3bed h ALA 56 Ca -0.00 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.74 3bed h ALA 56 Cb 0.67 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3bed h ALA 56 CO 0.04 1.29 0.00 0.41 0.00 0.00 0.00 179.25 180.99 3bed n GLY 57 N 1.58 -0.37 2.80 0.00 0.00 -0.34 -4.51 105.19 104.35 3bed n GLY 57 Ca -0.14 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 3bed n GLY 57 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3bed n ASN 58 N -1.33 3.73 -4.28 1.61 5.15 -1.26 -4.89 115.26 113.99 3bed n ASN 58 Ca 0.00 -2.78 -0.27 0.00 -0.60 0.00 0.00 54.58 50.93 3bed n ASN 58 Cb 0.00 -1.51 -0.14 0.00 -0.53 0.00 0.00 39.78 37.60 3bed n ASN 58 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3bed s VAL 59 N 3.62 1.80 0.10 3.44 -7.23 -1.26 -4.99 120.40 115.88 3bed s VAL 59 Ca 0.50 -1.24 -0.35 0.00 -1.81 0.00 0.00 61.98 59.08 3bed s VAL 59 Cb 0.14 -1.55 -0.15 0.00 0.56 0.00 0.00 36.38 35.38 3bed s VAL 59 CO -0.04 0.26 1.52 -2.65 -0.31 0.00 0.00 175.10 173.89 3bed n PRO 60 N 1.86 1.78 -3.81 4.82 -0.02 -1.26 -4.65 135.00 133.72 3bed n PRO 60 Ca -0.17 0.64 -0.13 0.00 -2.02 0.00 0.00 63.50 61.83 3bed n PRO 60 Cb 0.53 -2.37 -0.12 0.00 -0.02 0.00 0.00 33.50 31.51 3bed n PRO 60 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3bed s THR 61 N 1.07 -0.00 -0.12 3.45 2.01 -0.56 -1.07 115.64 120.42 3bed s THR 61 Ca 0.82 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.83 3bed s THR 61 Cb -0.79 -0.27 0.02 0.00 0.01 0.00 0.00 72.50 71.48 3bed s THR 61 CO 0.43 0.00 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.00 3bed s LEU 62 N 0.11 1.63 -0.20 4.42 2.96 0.29 -0.80 118.68 127.09 3bed s LEU 62 Ca -0.00 -0.43 -0.16 0.00 -0.22 0.00 0.00 54.13 53.32 3bed s LEU 62 Cb -0.01 -1.08 -0.04 0.00 0.50 0.00 0.00 46.19 45.55 3bed s LEU 62 CO 0.00 -0.03 0.39 -0.69 -1.32 0.00 0.00 176.35 174.70 3bed s VAL 63 N 1.26 5.21 -0.43 1.68 1.01 -0.16 -1.18 120.40 127.79 3bed s VAL 63 Ca -0.01 0.69 -0.16 0.00 0.00 0.00 0.00 61.98 62.50 3bed s VAL 63 Cb -0.14 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.55 3bed s VAL 63 CO -0.06 0.26 0.38 -0.76 0.00 0.00 0.00 175.10 174.93 3bed s LEU 64 N 1.25 5.10 0.08 3.92 1.43 -0.02 -0.65 118.68 129.77 3bed s LEU 64 Ca 0.19 -0.89 -0.00 0.00 -1.03 0.00 0.00 54.13 52.40 3bed s LEU 64 Cb -0.15 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 3bed s LEU 64 CO 0.08 -0.56 0.23 0.00 0.23 0.00 0.00 176.35 176.33 3bed s ALA 65 N 1.89 3.99 0.14 4.21 0.00 0.44 -4.33 121.76 128.11 3bed s ALA 65 Ca 0.08 -0.84 -0.15 0.00 0.00 0.00 0.00 51.96 51.05 3bed s ALA 65 Cb -0.19 -1.85 0.02 0.00 0.00 0.00 0.00 23.12 21.10 3bed s ALA 65 CO 0.11 0.79 1.68 0.38 0.00 0.00 0.00 175.76 178.72 3bed h ASP 66 N 2.96 0.65 0.00 0.00 2.03 -1.91 -1.51 116.42 118.64 3bed h ASP 66 Ca -0.45 -0.18 0.00 0.00 -0.73 0.00 0.00 57.03 55.66 3bed h ASP 66 Cb 1.16 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 39.50 3bed h ASP 66 CO 0.75 0.66 0.00 -0.11 -1.03 0.00 0.00 179.24 179.51 3bed n LEU 67 N -4.57 0.00 0.00 0.15 7.94 -1.26 -2.94 117.00 116.32 3bed n LEU 67 Ca 0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 3bed n LEU 67 Cb 0.17 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.12 3bed n LEU 67 CO 0.38 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.27 3bed n GLY 69 N 0.00 0.00 3.82 -3.96 0.00 -1.26 -4.37 105.19 99.41 3bed n GLY 69 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3bed n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bed s GLY 70 N 0.00 1.88 0.26 -0.02 0.00 -1.26 -4.83 107.32 103.35 3bed s GLY 70 Ca 0.00 0.20 -0.03 0.00 0.00 0.00 0.00 44.72 44.89 3bed s GLY 70 CO 0.00 0.51 1.85 0.00 0.00 0.00 0.00 173.10 175.46 3bed h THR 71 N -0.10 1.02 -0.24 0.90 1.03 -1.99 0.84 112.91 114.37 3bed h THR 71 Ca -0.45 -0.35 0.04 0.00 -0.01 0.00 0.00 66.41 65.64 3bed h THR 71 Cb 1.21 -0.09 -0.03 0.00 -1.07 0.00 0.00 68.15 68.17 3bed h THR 71 CO 0.58 0.19 0.02 -0.65 -0.01 0.00 0.00 175.52 175.64 3bed h PRO 72 N 1.01 0.10 -0.68 0.00 0.11 -1.91 0.18 132.00 130.81 3bed h PRO 72 Ca 0.42 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.48 3bed h PRO 72 Cb 0.25 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 3bed h PRO 72 CO -0.20 0.07 0.26 0.00 -0.21 0.00 0.00 178.00 177.91 3bed h ASN 74 N 0.99 1.08 -0.56 0.00 2.35 -0.27 -2.75 115.58 116.43 3bed h ASN 74 Ca 0.23 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 3bed h ASN 74 Cb 0.22 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 3bed h ASN 74 CO -0.02 0.90 0.18 0.58 -1.65 0.00 0.00 177.43 177.42 3bed h VAL 75 N 1.18 1.24 -0.15 2.81 2.07 -0.70 -3.42 116.25 119.28 3bed h VAL 75 Ca 0.29 -0.80 -0.27 0.00 0.82 0.00 0.00 66.70 66.75 3bed h VAL 75 Cb 0.09 0.70 0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3bed h VAL 75 CO -0.04 0.30 0.77 0.00 0.02 0.00 0.00 177.57 178.62 3bed n ALA 76 N -2.38 1.02 -1.20 1.67 0.00 -0.74 -5.03 120.51 113.85 3bed n ALA 76 Ca 0.03 -2.62 0.00 0.00 0.00 0.00 0.00 53.44 50.84 3bed n ALA 76 Cb 0.20 -3.49 0.00 0.00 0.00 0.00 0.00 19.45 16.16 3bed n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bed n ALA 79 N 15.21 -0.11 0.00 0.00 0.00 -1.26 -4.99 120.51 129.36 3bed n ALA 79 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3bed n ALA 79 Cb 0.45 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.57 3bed n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bed n GLY 81 N -0.77 0.00 0.18 0.00 0.00 -1.26 -1.42 105.19 101.92 3bed n GLY 81 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3bed n GLY 81 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3bed n THR 82 N 0.00 1.28 -3.66 2.61 -1.04 -1.26 -4.94 114.28 107.27 3bed n THR 82 Ca 0.00 -0.41 -0.39 0.00 -2.04 0.00 0.00 64.05 61.21 3bed n THR 82 Cb 0.00 -1.53 -0.11 0.00 -1.82 0.00 0.00 70.33 66.87 3bed n THR 82 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3bed s TYR 83 N -2.44 3.34 -0.79 -1.42 2.02 -0.51 -4.98 117.35 112.58 3bed s TYR 83 Ca -0.31 -1.61 0.21 0.00 -0.37 0.00 0.00 57.07 54.99 3bed s TYR 83 Cb 0.10 -2.80 0.86 0.00 -0.40 0.00 0.00 41.96 39.72 3bed s TYR 83 CO 0.47 -0.83 1.66 -0.35 -1.57 0.00 0.00 175.55 174.92 3bed n PRO 84 N 4.85 0.10 -0.38 -1.71 -0.04 -1.26 -2.33 135.00 134.22 3bed n PRO 84 Ca -0.10 0.27 0.08 0.00 -0.04 0.00 0.00 63.50 63.70 3bed n PRO 84 Cb 0.43 -1.67 0.24 0.00 -0.04 0.00 0.00 33.50 32.47 3bed n PRO 84 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3bed n GLN 85 N -1.85 3.10 -3.45 0.54 6.02 -1.26 -4.95 117.38 115.53 3bed n GLN 85 Ca 0.04 -2.56 -0.38 0.00 -0.01 0.00 0.00 57.00 54.09 3bed n GLN 85 Cb 0.25 -1.65 -0.06 0.00 1.02 0.00 0.00 30.24 29.80 3bed n GLN 85 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3bed s LEU 86 N -1.96 4.38 0.18 1.08 2.96 -0.98 -1.50 118.68 122.84 3bed s LEU 86 Ca 0.37 0.85 0.06 0.00 -0.22 0.00 0.00 54.13 55.19 3bed s LEU 86 Cb 0.26 -2.59 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 3bed s LEU 86 CO 0.14 0.19 -0.12 -0.13 -1.32 0.00 0.00 176.35 175.12 3bed s ARG 87 N -0.33 1.22 -0.01 1.98 1.81 0.02 -4.96 118.95 118.67 3bed s ARG 87 Ca 0.23 -1.54 0.00 0.00 -1.72 0.00 0.00 55.73 52.70 3bed s ARG 87 Cb -0.16 -0.89 0.02 0.00 -0.45 0.00 0.00 34.95 33.48 3bed s ARG 87 CO 0.11 0.12 0.02 0.08 -0.68 0.00 0.00 175.30 174.95 3bed s VAL 88 N -3.15 -0.02 -0.09 3.52 1.01 -1.26 -0.98 120.40 119.44 3bed s VAL 88 Ca 0.21 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.35 3bed s VAL 88 Cb 0.01 -0.08 0.01 0.00 0.00 0.00 0.00 36.38 36.32 3bed s VAL 88 CO 0.04 0.07 -0.15 -0.69 0.00 0.00 0.00 175.10 174.37 3bed s VAL 89 N 0.76 1.41 0.40 2.92 1.01 0.17 -4.96 120.40 122.11 3bed s VAL 89 Ca -0.06 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.34 3bed s VAL 89 Cb -0.09 -1.28 -0.00 0.00 0.00 0.00 0.00 36.38 35.01 3bed s VAL 89 CO -0.02 0.42 0.57 0.00 0.00 0.00 0.00 175.10 176.06 3bed s ALA 90 N 0.72 4.11 0.00 5.51 0.00 -1.26 -0.42 121.76 130.42 3bed s ALA 90 Ca -0.13 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.47 3bed s ALA 90 Cb -0.16 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.13 3bed s ALA 90 CO 0.03 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.98 3bed n GLY 91 N -1.85 1.00 3.25 0.00 0.00 -0.61 -4.87 105.19 102.12 3bed n GLY 91 Ca 0.02 -0.32 -0.59 0.00 0.00 0.00 0.00 46.02 45.13 3bed n GLY 91 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3bed n LEU 92 N 0.00 1.01 -4.35 0.99 7.94 -0.96 -4.98 117.00 116.65 3bed n LEU 92 Ca 0.00 1.03 -0.18 0.00 -1.11 0.00 0.00 56.01 55.75 3bed n LEU 92 Cb 0.04 -0.77 -0.10 0.00 0.53 0.00 0.00 43.42 43.13 3bed n LEU 92 CO 0.00 -0.77 -0.25 0.54 -1.11 0.00 0.00 177.39 175.81 3bed s ASN 93 N 2.51 1.53 0.28 1.96 2.20 -1.26 -4.92 114.94 117.23 3bed s ASN 93 Ca 0.91 -1.41 0.00 0.00 -0.94 0.00 0.00 52.86 51.42 3bed s ASN 93 Cb -1.30 0.15 0.41 0.00 -2.00 0.00 0.00 41.25 38.51 3bed s ASN 93 CO 0.70 -0.73 1.77 0.25 -2.94 0.00 0.00 177.10 176.15 3bed h LEU 94 N 2.29 0.64 -1.71 3.54 5.85 -1.96 -2.74 115.31 121.21 3bed h LEU 94 Ca -0.38 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.18 3bed h LEU 94 Cb 1.25 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3bed h LEU 94 CO 0.62 0.75 0.00 0.00 -0.34 0.00 0.00 178.44 179.47 3bed n ALA 95 N -2.48 1.12 0.00 1.25 0.00 -1.26 -1.19 120.51 117.95 3bed n ALA 95 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3bed n ALA 95 Cb 0.32 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.91 3bed n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bed n ALA 97 N 0.74 0.00 -0.06 0.00 0.00 -1.04 -1.02 120.51 119.13 3bed n ALA 97 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3bed n ALA 97 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3bed n ALA 97 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3bed h ILE 98 N 0.00 1.18 -0.18 0.00 2.04 -1.45 -1.52 117.51 117.58 3bed h ILE 98 Ca 0.00 -0.55 -0.10 0.00 1.00 0.00 0.00 64.86 65.21 3bed h ILE 98 Cb 0.00 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3bed h ILE 98 CO 0.00 0.18 -0.33 -0.33 0.00 0.00 0.00 178.15 177.67 3bed h GLU 99 N 0.17 0.37 -0.74 2.37 4.39 -1.33 -2.20 114.58 117.61 3bed h GLU 99 Ca 0.07 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.55 3bed h GLU 99 Cb 0.21 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 3bed h GLU 99 CO -0.00 0.66 0.23 0.00 -1.16 0.00 0.00 179.01 178.73 3bed h ALA 100 N 1.34 0.97 -0.65 3.43 0.00 -1.77 -0.56 119.26 122.02 3bed h ALA 100 Ca 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3bed h ALA 100 Cb 0.73 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3bed h ALA 100 CO 0.06 0.66 0.27 0.00 0.00 0.00 0.00 179.25 180.24 3bed h ALA 101 N 1.12 1.24 0.00 0.00 0.00 -0.69 -3.26 119.26 117.67 3bed h ALA 101 Ca 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3bed h ALA 101 Cb 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3bed h ALA 101 CO -0.01 0.56 -0.97 1.33 0.00 0.00 0.00 179.25 180.16 3bed n VAL 102 N -4.31 0.00 -2.25 0.00 0.24 -0.90 -4.75 118.33 106.36 3bed n VAL 102 Ca 0.06 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.34 61.92 3bed n VAL 102 Cb 0.17 0.99 -0.03 0.00 -1.47 0.00 0.00 33.84 33.50 3bed n VAL 102 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3bed s SER 103 N -2.95 6.93 0.00 -1.34 0.15 -0.23 -4.91 113.70 111.35 3bed s SER 103 Ca 0.08 2.30 0.12 0.00 0.70 0.00 0.00 55.95 59.15 3bed s SER 103 Cb 0.15 -2.60 0.43 0.00 -1.71 0.00 0.00 66.02 62.30 3bed s SER 103 CO 0.84 -0.53 1.32 -0.81 1.20 0.00 0.00 173.24 175.26 3bed n PRO 104 N 3.15 1.55 -1.89 5.44 -0.04 -1.26 -4.94 135.00 137.01 3bed n PRO 104 Ca 0.08 -0.85 -0.42 0.00 -0.04 0.00 0.00 63.50 62.27 3bed n PRO 104 Cb 0.43 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.61 3bed n PRO 104 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3bed s VAL 105 N -1.73 2.80 -0.16 0.52 1.01 -1.26 -4.91 120.40 116.67 3bed s VAL 105 Ca 0.21 0.40 -0.26 0.00 0.00 0.00 0.00 61.98 62.33 3bed s VAL 105 Cb 0.11 -3.25 -0.24 0.00 0.00 0.00 0.00 36.38 33.00 3bed s VAL 105 CO 0.16 0.01 0.58 -0.33 0.00 0.00 0.00 175.10 175.52 3bed h GLU 106 N 7.83 0.01 -6.46 2.72 5.08 -2.00 -3.40 114.58 118.36 3bed h GLU 106 Ca -0.43 -0.02 -0.54 0.00 -1.00 0.00 0.00 59.36 57.37 3bed h GLU 106 Cb 1.20 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3bed h GLU 106 CO 0.93 1.01 0.63 1.21 -1.00 0.00 0.00 179.01 181.79 3bed s ASN 107 N -6.46 7.01 0.31 1.42 3.84 -1.26 -3.97 114.94 115.82 3bed s ASN 107 Ca -0.22 2.05 0.06 0.00 0.21 0.00 0.00 52.86 54.96 3bed s ASN 107 Cb 0.00 -2.58 0.50 0.00 -0.55 0.00 0.00 41.25 38.63 3bed s ASN 107 CO 0.66 -0.54 1.74 1.62 -2.79 0.00 0.00 177.10 177.80 3bed h VAL 108 N 4.57 1.28 -0.58 -5.21 3.04 -1.94 0.30 116.25 117.71 3bed h VAL 108 Ca -0.40 -1.33 -0.10 0.00 -1.01 0.00 0.00 66.70 63.86 3bed h VAL 108 Cb 1.20 1.52 -0.02 0.00 -2.01 0.00 0.00 31.29 31.99 3bed h VAL 108 CO 0.84 0.40 -0.01 0.44 -1.01 0.00 0.00 177.57 178.23 3bed h ASP 109 N 0.26 1.02 -0.37 3.17 3.32 -1.96 -1.35 116.42 120.50 3bed h ASP 109 Ca 0.03 -0.31 -0.11 0.00 0.02 0.00 0.00 57.03 56.66 3bed h ASP 109 Cb 0.70 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3bed h ASP 109 CO 0.05 1.08 -0.19 -0.08 -1.72 0.00 0.00 179.24 178.39 3bed h GLU 110 N 0.93 0.85 -0.43 3.56 4.81 -1.85 -1.96 114.58 120.49 3bed h GLU 110 Ca 0.16 -0.33 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 3bed h GLU 110 Cb 0.57 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3bed h GLU 110 CO 0.03 0.97 -0.06 1.25 -0.73 0.00 0.00 179.01 180.47 3bed h LEU 111 N 0.75 0.80 -0.07 1.64 5.85 -0.82 -1.43 115.31 122.02 3bed h LEU 111 Ca 0.11 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.50 3bed h LEU 111 Cb 0.71 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3bed h LEU 111 CO 0.05 0.95 -0.02 0.00 -0.34 0.00 0.00 178.44 179.08 3bed h ALA 112 N 0.87 0.05 -0.69 1.25 0.00 -1.13 -0.02 119.26 119.59 3bed h ALA 112 Ca 0.11 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3bed h ALA 112 Cb 0.58 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3bed h ALA 112 CO 0.03 -0.49 0.45 0.00 0.00 0.00 0.00 179.25 179.24 3bed h ALA 113 N 1.07 0.87 -0.44 0.00 0.00 -1.28 -0.72 119.26 118.75 3bed h ALA 113 Ca 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3bed h ALA 113 Cb 0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3bed h ALA 113 CO -0.08 0.31 0.13 -0.92 0.00 0.00 0.00 179.25 178.69 3bed h TYR 114 N 0.93 0.72 0.00 0.00 3.20 -0.98 -2.19 116.97 118.65 3bed h TYR 114 Ca 0.25 -0.08 -0.12 0.00 3.14 0.00 0.00 58.73 61.93 3bed h TYR 114 Cb -0.09 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 37.96 3bed h TYR 114 CO -0.02 0.66 -0.55 -0.07 -1.64 0.00 0.00 178.16 176.54 3bed h LEU 115 N 0.57 0.00 -0.35 2.82 3.38 -0.83 0.23 115.31 121.13 3bed h LEU 115 Ca 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3bed h LEU 115 Cb 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3bed h LEU 115 CO -0.00 0.55 0.20 0.74 0.09 0.00 0.00 178.44 180.02 3bed h THR 116 N 0.00 1.13 -0.35 0.22 2.02 -0.96 -0.01 112.91 114.97 3bed h THR 116 Ca -0.01 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 3bed h THR 116 Cb 0.97 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 3bed h THR 116 CO 0.07 0.13 0.17 -0.61 0.37 0.00 0.00 175.52 175.66 3bed h GLN 117 N 0.45 0.50 -0.07 6.66 -0.00 -0.90 -2.18 115.11 119.58 3bed h GLN 117 Ca 0.13 -0.07 0.02 0.00 -0.00 0.00 0.00 58.65 58.73 3bed h GLN 117 Cb 0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 27.48 27.40 3bed h GLN 117 CO -0.02 0.45 -0.08 0.82 0.00 0.00 0.00 178.83 179.99 3bed h ILE 118 N 0.43 0.77 -0.86 2.39 1.08 -0.83 -0.43 117.51 120.06 3bed h ILE 118 Ca 0.12 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.58 3bed h ILE 118 Cb 0.11 0.77 -0.04 0.00 -3.07 0.00 0.00 36.82 34.59 3bed h ILE 118 CO -0.02 0.00 0.48 1.23 -0.69 0.00 0.00 178.15 179.16 3bed h GLY 119 N -0.11 1.28 0.99 5.37 0.00 -0.93 -1.11 103.07 108.56 3bed h GLY 119 Ca 0.06 -0.57 -0.11 0.00 0.00 0.00 0.00 47.33 46.71 3bed h GLY 119 CO -0.13 0.54 -0.23 1.46 0.00 0.00 0.00 176.54 178.18 3bed h GLN 120 N 1.20 0.76 0.00 4.80 4.20 -1.14 -2.96 115.11 121.97 3bed h GLN 120 Ca 0.31 -0.36 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3bed h GLN 120 Cb 0.01 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 3bed h GLN 120 CO -0.05 0.98 -0.01 0.77 -0.67 0.00 0.00 178.83 179.85 3bed h SER 121 N 0.54 0.00 1.43 1.46 0.02 -0.79 -2.63 113.55 113.59 3bed h SER 121 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3bed h SER 121 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 3bed h SER 121 CO 0.06 0.01 0.00 0.00 -1.14 0.00 0.00 176.83 175.76 3bed n ALA 122 N -2.10 2.23 -2.51 3.77 0.00 -0.45 -4.63 120.51 116.82 3bed n ALA 122 Ca -0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 3bed n ALA 122 Cb 0.27 -1.46 -0.08 0.00 0.00 0.00 0.00 19.45 18.17 3bed n ALA 122 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3bed s VAL 123 N -3.12 5.05 0.05 0.00 1.01 -0.99 -5.04 120.40 117.35 3bed s VAL 123 Ca 0.10 -0.10 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 3bed s VAL 123 Cb 0.12 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.49 3bed s VAL 123 CO 0.58 -0.37 0.27 0.42 0.00 0.00 0.00 175.10 176.01 3bed s THR 124 N 2.27 0.10 0.08 3.92 -4.23 -1.26 -5.02 115.64 111.49 3bed s THR 124 Ca 0.15 -0.79 -0.27 0.00 -1.18 0.00 0.00 61.69 59.60 3bed s THR 124 Cb -0.16 -1.00 -0.06 0.00 1.34 0.00 0.00 72.50 72.63 3bed s THR 124 CO 0.14 -0.43 0.86 -0.89 -0.54 0.00 0.00 174.62 173.75 3bed s THR 125 N -2.79 4.62 -0.45 3.99 2.01 -1.26 -5.01 115.64 116.75 3bed s THR 125 Ca -0.03 1.83 -0.24 0.00 0.31 0.00 0.00 61.69 63.56 3bed s THR 125 Cb -0.00 -4.21 0.03 0.00 0.01 0.00 0.00 72.50 68.32 3bed s THR 125 CO -0.05 0.34 0.82 -0.63 -0.69 0.00 0.00 174.62 174.42 3bed s ILE 126 N -0.04 4.60 -0.37 1.82 -1.09 -1.26 -4.98 121.20 119.88 3bed s ILE 126 Ca 0.42 0.51 -0.07 0.00 -2.23 0.00 0.00 60.65 59.28 3bed s ILE 126 Cb -0.22 -4.35 0.06 0.00 -1.58 0.00 0.00 42.46 36.37 3bed s ILE 126 CO 0.26 -0.75 0.16 -1.81 -1.23 0.00 0.00 174.94 171.57 3bed s ASP 127 N 2.17 5.40 0.20 3.58 1.01 -1.26 -5.09 116.67 122.68 3bed s ASP 127 Ca 0.32 -1.32 -0.24 0.00 0.71 0.00 0.00 52.55 52.02 3bed s ASP 127 Cb -0.12 -1.90 -0.08 0.00 1.01 0.00 0.00 42.92 41.83 3bed s ASP 127 CO 0.24 -0.40 0.79 -0.76 0.21 0.00 0.00 175.17 175.24 3bed s LEU 128 N 1.39 4.51 0.00 1.23 2.01 -1.26 -5.33 118.68 121.23 3bed s LEU 128 Ca 0.00 1.62 0.00 0.00 0.01 0.00 0.00 54.13 55.77 3bed s LEU 128 Cb -0.21 -3.46 0.00 0.00 0.01 0.00 0.00 46.19 42.54 3bed s LEU 128 CO 0.02 0.14 0.00 -2.65 1.01 0.00 0.00 176.35 174.87