#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hdg s ALA 8 N 0.00 2.90 -0.20 3.52 0.00 -1.26 -4.86 121.76 121.86 3hdg s ALA 8 Ca 0.00 1.00 -0.29 0.00 0.00 0.00 0.00 51.96 52.67 3hdg s ALA 8 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3hdg s ALA 8 CO 0.00 -0.82 1.04 -1.17 0.00 0.00 0.00 175.76 174.81 3hdg s LEU 9 N -3.24 4.14 -0.18 0.00 2.96 -1.26 -4.99 118.68 116.10 3hdg s LEU 9 Ca 0.67 1.43 -0.15 0.00 -0.22 0.00 0.00 54.13 55.86 3hdg s LEU 9 Cb -0.30 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.80 3hdg s LEU 9 CO 0.36 -0.62 0.33 -0.54 -1.32 0.00 0.00 176.35 174.57 3hdg s LYS 10 N 2.91 4.21 -0.09 1.98 1.02 -1.26 -4.39 119.74 124.12 3hdg s LYS 10 Ca 0.45 0.12 0.04 0.00 0.02 0.00 0.00 55.97 56.61 3hdg s LYS 10 Cb -0.16 -3.49 -0.00 0.00 -0.52 0.00 0.00 37.83 33.66 3hdg s LYS 10 CO 0.09 0.09 -0.23 0.42 -0.92 0.00 0.00 175.35 174.81 3hdg s ILE 11 N 0.91 2.17 -0.18 2.17 1.01 0.52 -0.04 121.20 127.75 3hdg s ILE 11 Ca 0.17 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.81 3hdg s ILE 11 Cb -0.14 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.50 3hdg s ILE 11 CO 0.06 0.56 -0.09 -0.22 0.00 0.00 0.00 174.94 175.25 3hdg s LEU 12 N 0.18 2.78 -0.21 2.97 2.96 0.51 -0.90 118.68 126.96 3hdg s LEU 12 Ca -0.14 -0.38 -0.07 0.00 -0.22 0.00 0.00 54.13 53.33 3hdg s LEU 12 Cb -0.17 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 3hdg s LEU 12 CO 0.07 0.06 0.05 -0.63 -1.32 0.00 0.00 176.35 174.58 3hdg s ILE 13 N 0.99 4.40 -0.33 6.68 1.01 0.11 -0.29 121.20 133.76 3hdg s ILE 13 Ca -0.01 -0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.52 3hdg s ILE 13 Cb -0.15 -3.01 0.10 0.00 0.01 0.00 0.00 42.46 39.41 3hdg s ILE 13 CO -0.01 0.40 0.05 -0.69 0.00 0.00 0.00 174.94 174.69 3hdg s VAL 14 N 1.05 2.04 -0.03 2.92 1.01 0.14 0.83 120.40 128.36 3hdg s VAL 14 Ca 0.04 -2.15 -0.00 0.00 0.00 0.00 0.00 61.98 59.87 3hdg s VAL 14 Cb -0.14 -2.49 0.03 0.00 0.00 0.00 0.00 36.38 33.77 3hdg s VAL 14 CO 0.03 -0.58 0.02 -0.70 0.00 0.00 0.00 175.10 173.87 3hdg s GLU 15 N 1.03 0.15 0.36 2.72 2.56 -0.54 -0.82 118.70 124.16 3hdg s GLU 15 Ca 0.10 0.16 0.26 0.00 0.00 0.00 0.00 54.97 55.48 3hdg s GLU 15 Cb -0.19 -0.42 0.73 0.00 2.00 0.00 0.00 34.13 36.25 3hdg s GLU 15 CO -0.11 -0.18 1.74 0.38 -0.56 0.00 0.00 175.26 176.53 3hdg h ASP 16 N 7.47 0.00 -3.29 -1.70 3.04 -1.81 -3.37 116.42 116.75 3hdg h ASP 16 Ca -0.39 0.00 -0.58 0.00 -3.24 0.00 0.00 57.03 52.82 3hdg h ASP 16 Cb 1.13 0.00 -0.07 0.00 -1.04 0.00 0.00 39.33 39.34 3hdg h ASP 16 CO 0.43 0.00 0.42 -0.62 -2.04 0.00 0.00 179.24 177.43 3hdg s ASP 17 N -5.36 6.94 0.15 4.15 2.15 -1.26 -4.94 116.67 118.49 3hdg s ASP 17 Ca 0.07 1.16 -0.18 0.00 0.43 0.00 0.00 52.55 54.03 3hdg s ASP 17 Cb 0.08 -2.45 0.05 0.00 -0.30 0.00 0.00 42.92 40.30 3hdg s ASP 17 CO 0.59 -0.43 1.71 0.74 -0.17 0.00 0.00 175.17 177.61 3hdg h THR 18 N 5.25 0.77 0.12 1.71 2.02 -1.99 0.54 112.91 121.34 3hdg h THR 18 Ca -0.28 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 3hdg h THR 18 Cb 1.12 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 3hdg h THR 18 CO 0.85 0.02 -0.06 0.44 0.37 0.00 0.00 175.52 177.14 3hdg h ASP 19 N 0.09 -0.14 -0.12 4.18 3.32 -1.97 -2.08 116.42 119.70 3hdg h ASP 19 Ca 0.15 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 3hdg h ASP 19 Cb 0.20 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3hdg h ASP 19 CO -0.25 -0.09 -0.17 0.00 -1.72 0.00 0.00 179.24 177.00 3hdg h ALA 20 N 0.70 1.17 -0.14 3.45 0.00 -1.94 -1.92 119.26 120.59 3hdg h ALA 20 Ca -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3hdg h ALA 20 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3hdg h ALA 20 CO 0.03 0.53 0.01 -0.09 0.00 0.00 0.00 179.25 179.73 3hdg h ARG 21 N 0.46 0.24 -0.15 0.00 2.43 -0.76 -1.25 114.38 115.36 3hdg h ARG 21 Ca 0.08 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 3hdg h ARG 21 Cb 0.57 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3hdg h ARG 21 CO 0.04 0.46 -0.36 0.93 -1.51 0.00 0.00 179.97 179.52 3hdg h GLU 22 N -0.00 0.30 -0.03 0.20 5.08 -1.33 -0.92 114.58 117.88 3hdg h GLU 22 Ca 0.04 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3hdg h GLU 22 Cb 0.34 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3hdg h GLU 22 CO 0.01 0.63 0.00 2.35 -1.00 0.00 0.00 179.01 181.00 3hdg h TRP 23 N 0.26 0.06 -0.46 4.33 7.01 -1.23 0.01 115.95 125.93 3hdg h TRP 23 Ca 0.03 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.08 3hdg h TRP 23 Cb 0.76 -0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.76 3hdg h TRP 23 CO 0.02 0.31 0.17 -0.07 -2.79 0.00 0.00 178.44 176.08 3hdg h LEU 24 N -0.21 0.18 -0.17 0.65 3.38 -1.02 -1.21 115.31 116.92 3hdg h LEU 24 Ca 0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hdg h LEU 24 Cb 0.29 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3hdg h LEU 24 CO 0.00 0.14 0.11 -1.28 0.09 0.00 0.00 178.44 177.49 3hdg h SER 25 N 0.34 0.20 -0.13 -0.43 0.87 -0.99 -1.52 113.55 111.88 3hdg h SER 25 Ca 0.21 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 3hdg h SER 25 Cb 0.21 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 3hdg h SER 25 CO -0.21 0.17 0.08 0.74 -0.53 0.00 0.00 176.83 177.08 3hdg h THR 26 N 0.21 1.03 -0.23 2.23 2.02 -0.64 -0.23 112.91 117.30 3hdg h THR 26 Ca 0.06 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3hdg h THR 26 Cb 0.01 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3hdg h THR 26 CO -0.01 0.03 0.12 0.40 0.37 0.00 0.00 175.52 176.43 3hdg h ILE 27 N 0.17 1.12 -0.47 3.11 1.08 -1.17 -2.96 117.51 118.39 3hdg h ILE 27 Ca 0.05 -0.31 -0.07 0.00 -0.39 0.00 0.00 64.86 64.14 3hdg h ILE 27 Cb -0.02 0.91 -0.02 0.00 -3.07 0.00 0.00 36.82 34.63 3hdg h ILE 27 CO -0.01 0.11 0.03 0.40 -0.69 0.00 0.00 178.15 177.99 3hdg h ILE 28 N 0.26 1.26 0.00 -0.67 2.04 -1.19 -2.95 117.51 116.25 3hdg h ILE 28 Ca 0.08 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 64.95 3hdg h ILE 28 Cb 0.07 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3hdg h ILE 28 CO -0.01 0.35 0.00 -1.54 0.00 0.00 0.00 178.15 176.94 3hdg n SER 29 N -4.40 0.61 0.26 1.72 3.41 -0.11 0.04 113.62 115.15 3hdg n SER 29 Ca 0.00 0.67 0.17 0.00 -0.26 0.00 0.00 58.87 59.45 3hdg n SER 29 Cb 0.28 -0.79 0.62 0.00 -0.26 0.00 0.00 64.21 64.06 3hdg n SER 29 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3hdg h ASN 30 N 0.00 0.00 0.00 4.04 -0.00 -1.35 -3.30 115.58 114.97 3hdg h ASN 30 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 3hdg h ASN 30 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.62 3hdg h ASN 30 CO 0.00 0.00 -0.87 1.41 -0.00 0.00 0.00 177.43 177.97 3hdg n HIS 31 N -3.04 0.00 -4.00 0.67 8.25 -0.61 -5.01 115.22 111.48 3hdg n HIS 31 Ca 0.01 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.18 3hdg n HIS 31 Cb 0.33 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.27 3hdg n HIS 31 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hdg s PHE 32 N -1.80 2.05 0.02 4.41 0.08 0.11 -5.04 117.98 117.81 3hdg s PHE 32 Ca 0.00 -1.14 -0.23 0.00 0.12 0.00 0.00 56.93 55.68 3hdg s PHE 32 Cb 0.00 -1.53 -0.17 0.00 -0.57 0.00 0.00 43.02 40.75 3hdg s PHE 32 CO 0.00 -0.64 1.39 -1.00 -0.10 0.00 0.00 175.22 174.87 3hdg h PRO 33 N 8.07 0.13 -5.69 0.24 0.13 -1.84 -3.32 132.00 129.71 3hdg h PRO 33 Ca -0.37 -0.05 -0.47 0.00 -0.87 0.00 0.00 66.00 64.24 3hdg h PRO 33 Cb 1.13 -0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.20 3hdg h PRO 33 CO 0.51 0.47 1.46 -1.21 -0.23 0.00 0.00 178.00 179.00 3hdg s GLU 34 N -4.68 3.12 -0.06 0.86 0.41 -1.26 -4.91 118.70 112.17 3hdg s GLU 34 Ca -0.15 -1.34 0.02 0.00 -0.41 0.00 0.00 54.97 53.09 3hdg s GLU 34 Cb 0.04 -5.33 0.02 0.00 -1.78 0.00 0.00 34.13 27.07 3hdg s GLU 34 CO 0.70 -3.16 -0.10 0.08 -0.49 0.00 0.00 175.26 172.29 3hdg s VAL 35 N 8.02 1.00 0.13 2.63 1.01 -1.26 -0.36 120.40 131.57 3hdg s VAL 35 Ca 0.61 -0.39 0.07 0.00 0.00 0.00 0.00 61.98 62.27 3hdg s VAL 35 Cb 0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 3hdg s VAL 35 CO 0.08 0.33 -0.16 0.26 0.00 0.00 0.00 175.10 175.61 3hdg s TRP 36 N 0.77 1.53 -0.01 5.22 0.51 -0.08 -5.00 118.94 121.88 3hdg s TRP 36 Ca -0.13 -0.51 -0.02 0.00 -2.12 0.00 0.00 56.10 53.32 3hdg s TRP 36 Cb -0.15 -0.80 -0.00 0.00 -0.81 0.00 0.00 33.47 31.71 3hdg s TRP 36 CO 0.02 0.19 0.04 -1.54 -0.51 0.00 0.00 176.95 175.15 3hdg s SER 37 N -2.38 0.02 0.12 2.95 1.04 -1.26 0.05 113.70 114.24 3hdg s SER 37 Ca 0.09 -0.05 0.05 0.00 0.48 0.00 0.00 55.95 56.52 3hdg s SER 37 Cb -0.06 0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 3hdg s SER 37 CO 0.04 -0.11 -0.13 0.00 0.98 0.00 0.00 173.24 174.02 3hdg s ALA 38 N -0.41 1.43 -2.96 5.32 0.00 0.24 -4.93 121.76 120.45 3hdg s ALA 38 Ca -0.05 -1.29 0.24 0.00 0.00 0.00 0.00 51.96 50.86 3hdg s ALA 38 Cb -0.03 -0.05 0.20 0.00 0.00 0.00 0.00 23.12 23.25 3hdg s ALA 38 CO -0.00 0.06 1.27 0.41 0.00 0.00 0.00 175.76 177.50 3hdg n GLY 39 N 0.48 1.04 3.73 0.00 0.00 -1.26 -1.47 105.19 107.71 3hdg n GLY 39 Ca -0.15 -0.69 -0.07 0.00 0.00 0.00 0.00 46.02 45.10 3hdg n GLY 39 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3hdg s ASP 40 N -1.96 -0.31 0.59 1.61 1.47 -1.26 -3.73 116.67 113.07 3hdg s ASP 40 Ca 0.29 -0.40 0.31 0.00 1.18 0.00 0.00 52.55 53.92 3hdg s ASP 40 Cb 0.20 0.63 1.84 0.00 -0.34 0.00 0.00 42.92 45.25 3hdg s ASP 40 CO 0.30 -1.13 2.24 1.23 0.68 0.00 0.00 175.17 178.50 3hdg h GLY 41 N 2.00 0.00 0.25 2.12 0.00 -1.40 -1.29 103.07 104.76 3hdg h GLY 41 Ca -0.23 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 3hdg h GLY 41 CO 0.27 0.00 -0.04 0.83 0.00 0.00 0.00 176.54 177.60 3hdg h GLU 42 N 0.00 -0.10 -0.67 4.80 5.08 -1.87 -1.00 114.58 120.83 3hdg h GLU 42 Ca -0.00 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 3hdg h GLU 42 Cb 0.05 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 3hdg h GLU 42 CO 0.00 0.47 0.39 0.93 -1.00 0.00 0.00 179.01 179.80 3hdg h GLU 43 N -0.85 0.71 -0.55 2.33 5.08 -1.96 -1.12 114.58 118.23 3hdg h GLU 43 Ca -0.01 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.38 3hdg h GLU 43 Cb 0.61 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 3hdg h GLU 43 CO 0.02 0.47 0.21 0.78 -1.00 0.00 0.00 179.01 179.49 3hdg h GLY 44 N 0.73 0.75 1.38 -3.84 0.00 -1.26 0.20 103.07 101.04 3hdg h GLY 44 Ca 0.29 -0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.41 3hdg h GLY 44 CO -0.16 0.01 -0.12 -2.09 0.00 0.00 0.00 176.54 174.19 3hdg h GLU 45 N 0.40 0.73 -0.07 4.80 4.81 -0.50 -1.20 114.58 123.55 3hdg h GLU 45 Ca 0.27 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3hdg h GLU 45 Cb 0.29 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 3hdg h GLU 45 CO -0.26 0.83 -0.04 -0.09 -0.73 0.00 0.00 179.01 178.72 3hdg h ARG 46 N 0.67 0.16 -0.70 1.92 2.43 -0.31 -2.28 114.38 116.26 3hdg h ARG 46 Ca 0.11 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3hdg h ARG 46 Cb 0.59 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 3hdg h ARG 46 CO 0.04 0.55 0.46 -0.07 -1.51 0.00 0.00 179.97 179.43 3hdg h LEU 47 N -0.23 0.72 0.05 3.80 3.38 -0.58 -0.23 115.31 122.23 3hdg h LEU 47 Ca 0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hdg h LEU 47 Cb 0.50 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3hdg h LEU 47 CO 0.01 0.49 -0.03 0.15 0.09 0.00 0.00 178.44 179.16 3hdg h PHE 48 N 0.83 -0.07 -0.58 1.13 3.57 -1.04 -0.87 116.94 119.91 3hdg h PHE 48 Ca 0.28 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 3hdg h PHE 48 Cb 0.07 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 3hdg h PHE 48 CO -0.00 0.06 0.28 0.78 -2.23 0.00 0.00 178.31 177.20 3hdg h GLY 49 N -0.18 0.87 1.21 2.40 0.00 -0.94 0.43 103.07 106.87 3hdg h GLY 49 Ca -0.01 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 46.79 3hdg h GLY 49 CO 0.01 0.39 -0.22 1.41 0.00 0.00 0.00 176.54 178.13 3hdg h LEU 50 N 0.81 0.92 -1.39 3.11 3.38 -0.71 -3.36 115.31 118.07 3hdg h LEU 50 Ca 0.20 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3hdg h LEU 50 Cb 0.09 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3hdg h LEU 50 CO -0.03 1.10 0.00 1.41 0.09 0.00 0.00 178.44 181.01 3hdg n HIS 51 N -4.11 0.00 -3.55 1.13 8.25 -0.36 -5.05 115.22 111.53 3hdg n HIS 51 Ca 0.00 -0.11 -0.21 0.00 -0.26 0.00 0.00 57.72 57.14 3hdg n HIS 51 Cb 0.45 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.55 3hdg n HIS 51 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hdg n ALA 52 N -0.11 -2.24 -1.44 -1.41 0.00 0.15 -4.87 120.51 110.60 3hdg n ALA 52 Ca 0.00 -0.25 -0.32 0.00 0.00 0.00 0.00 53.44 52.87 3hdg n ALA 52 Cb 0.07 -0.79 0.06 0.00 0.00 0.00 0.00 19.45 18.78 3hdg n ALA 52 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hdg s PRO 53 N -4.73 2.64 0.00 0.00 0.04 -1.26 -4.94 135.00 126.74 3hdg s PRO 53 Ca 0.08 1.32 -0.04 0.00 0.04 0.00 0.00 61.00 62.41 3hdg s PRO 53 Cb -0.05 -1.93 -0.28 0.00 0.04 0.00 0.00 34.50 32.28 3hdg s PRO 53 CO 0.64 -1.37 0.86 -0.44 0.04 0.00 0.00 177.00 176.73 3hdg h ASP 54 N -0.33 0.41 -4.59 6.66 3.32 -0.80 -3.46 116.42 117.63 3hdg h ASP 54 Ca -0.46 -0.56 -0.69 0.00 0.02 0.00 0.00 57.03 55.34 3hdg h ASP 54 Cb 1.24 -0.13 -0.30 0.00 0.22 0.00 0.00 39.33 40.36 3hdg h ASP 54 CO 0.53 1.47 -0.89 -0.69 -1.72 0.00 0.00 179.24 177.94 3hdg s VAL 55 N -2.62 2.03 -0.13 -1.35 1.01 -0.53 -0.51 120.40 118.31 3hdg s VAL 55 Ca -0.09 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 60.80 3hdg s VAL 55 Cb 0.07 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.78 3hdg s VAL 55 CO 0.86 0.57 -0.17 -0.63 0.00 0.00 0.00 175.10 175.73 3hdg s ILE 56 N -0.61 1.69 -0.32 2.22 1.01 -0.43 -0.36 121.20 124.39 3hdg s ILE 56 Ca 0.10 -0.74 -0.03 0.00 0.00 0.00 0.00 60.65 59.98 3hdg s ILE 56 Cb -0.10 -1.54 0.05 0.00 0.01 0.00 0.00 42.46 40.89 3hdg s ILE 56 CO -0.01 0.48 0.06 -0.63 0.00 0.00 0.00 174.94 174.83 3hdg s ILE 57 N 1.10 3.26 0.05 2.92 1.01 0.60 -0.44 121.20 129.69 3hdg s ILE 57 Ca -0.03 -1.39 0.04 0.00 0.00 0.00 0.00 60.65 59.26 3hdg s ILE 57 Cb -0.14 -2.91 -0.02 0.00 0.01 0.00 0.00 42.46 39.39 3hdg s ILE 57 CO -0.05 -0.20 -0.11 0.28 0.00 0.00 0.00 174.94 174.86 3hdg s THR 58 N 1.28 0.84 0.85 2.92 -1.32 -0.50 0.23 115.64 119.94 3hdg s THR 58 Ca -0.03 -1.12 -0.12 0.00 -1.21 0.00 0.00 61.69 59.22 3hdg s THR 58 Cb -0.20 -0.83 0.10 0.00 -1.51 0.00 0.00 72.50 70.06 3hdg s THR 58 CO -0.00 -0.25 1.13 -0.62 -2.21 0.00 0.00 174.62 172.67 3hdg s ASP 59 N -1.52 4.06 -0.10 8.08 -1.08 -0.00 -1.03 116.67 125.08 3hdg s ASP 59 Ca -0.05 1.07 -0.11 0.00 -0.52 0.00 0.00 52.55 52.94 3hdg s ASP 59 Cb -0.09 -1.70 -0.04 0.00 -1.46 0.00 0.00 42.92 39.63 3hdg s ASP 59 CO 0.01 -2.22 -0.22 -0.38 0.52 0.00 0.00 175.17 172.89 3hdg n ILE 60 N -3.56 1.08 -2.96 4.11 5.41 -1.26 -3.62 119.36 118.56 3hdg n ILE 60 Ca 0.07 0.24 -0.39 0.00 1.00 0.00 0.00 62.75 63.67 3hdg n ILE 60 Cb 0.58 -2.01 -0.06 0.00 -0.71 0.00 0.00 39.64 37.44 3hdg n ILE 60 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3hdg s ARG 61 N -2.30 4.59 0.35 0.38 0.52 -1.26 -1.11 118.95 120.11 3hdg s ARG 61 Ca -0.18 1.18 0.01 0.00 -0.52 0.00 0.00 55.73 56.22 3hdg s ARG 61 Cb 0.02 -3.27 -0.03 0.00 0.52 0.00 0.00 34.95 32.19 3hdg s ARG 61 CO 0.27 0.54 0.55 -1.25 0.02 0.00 0.00 175.30 175.43 3hdg s PRO 63 N -1.06 3.42 0.00 3.54 0.04 -1.26 -4.88 135.00 134.80 3hdg s PRO 63 Ca 0.36 -0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.00 3hdg s PRO 63 Cb -0.23 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.64 3hdg s PRO 63 CO 0.26 0.12 0.00 1.63 0.04 0.00 0.00 177.00 179.05 3hdg n LYS 64 N -1.79 0.00 -3.66 4.56 5.02 -1.26 -4.10 118.16 116.92 3hdg n LYS 64 Ca -0.04 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.17 3hdg n LYS 64 Cb 0.56 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.49 3hdg n LYS 64 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3hdg s LEU 65 N 0.00 -0.63 0.83 -0.35 2.96 -1.26 -4.94 118.68 115.29 3hdg s LEU 65 Ca 0.00 1.10 -0.10 0.00 -0.22 0.00 0.00 54.13 54.91 3hdg s LEU 65 Cb 0.00 1.58 0.09 0.00 0.50 0.00 0.00 46.19 48.36 3hdg s LEU 65 CO 0.00 -0.22 1.12 -0.83 -1.32 0.00 0.00 176.35 175.10 3hdg s GLY 66 N 2.32 1.70 0.45 7.98 0.00 -1.26 -1.44 107.32 117.07 3hdg s GLY 66 Ca -0.05 0.42 0.13 0.00 0.00 0.00 0.00 44.72 45.22 3hdg s GLY 66 CO -0.14 0.80 2.02 -1.33 0.00 0.00 0.00 173.10 174.45 3hdg h GLY 67 N -1.41 0.14 1.18 0.20 0.00 -1.18 -2.95 103.07 99.05 3hdg h GLY 67 Ca -0.43 -0.07 -0.29 0.00 0.00 0.00 0.00 47.33 46.54 3hdg h GLY 67 CO 0.47 0.07 -1.18 1.41 0.00 0.00 0.00 176.54 177.30 3hdg h LEU 68 N 0.13 0.85 -2.14 3.11 3.38 -1.82 -1.56 115.31 117.27 3hdg h LEU 68 Ca 0.03 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.18 3hdg h LEU 68 Cb 0.20 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3hdg h LEU 68 CO 0.01 1.58 0.00 -0.62 0.09 0.00 0.00 178.44 179.50 3hdg n GLU 69 N -3.84 0.29 0.00 1.13 4.71 -1.12 -1.14 120.64 120.68 3hdg n GLU 69 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.02 3hdg n GLU 69 Cb 0.96 -1.36 0.00 0.00 -1.01 0.00 0.00 31.44 30.03 3hdg n GLU 69 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3hdg n LEU 71 N 0.94 0.00 -0.27 -4.62 4.77 -0.59 -1.50 117.00 115.73 3hdg n LEU 71 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 3hdg n LEU 71 Cb 0.14 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.37 3hdg n LEU 71 CO 0.00 0.00 1.13 -0.78 -1.33 0.00 0.00 177.39 176.41 3hdg h ASP 72 N 0.00 0.67 -0.42 -1.43 3.58 -1.41 0.95 116.42 118.36 3hdg h ASP 72 Ca 0.00 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.42 3hdg h ASP 72 Cb 0.00 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 3hdg h ASP 72 CO 0.00 0.41 0.05 0.03 -2.88 0.00 0.00 179.24 176.85 3hdg h ARG 73 N 0.79 0.79 0.12 0.28 3.08 -1.52 0.22 114.38 118.14 3hdg h ARG 73 Ca 0.36 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 3hdg h ARG 73 Cb 0.26 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3hdg h ARG 73 CO -0.21 0.76 -0.06 0.82 -1.07 0.00 0.00 179.97 180.22 3hdg h ILE 74 N 0.75 1.05 0.00 2.04 2.04 -1.27 -3.12 117.51 118.99 3hdg h ILE 74 Ca 0.15 -1.13 -0.00 0.00 1.00 0.00 0.00 64.86 64.88 3hdg h ILE 74 Cb 0.38 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 38.17 3hdg h ILE 74 CO 0.01 0.25 -0.02 0.11 0.00 0.00 0.00 178.15 178.50 3hdg h LYS 75 N -0.73 0.00 -1.85 2.37 1.79 0.91 -1.89 116.57 117.16 3hdg h LYS 75 Ca -0.02 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 57.99 3hdg h LYS 75 Cb 0.54 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.01 3hdg h LYS 75 CO 0.03 0.02 0.42 0.00 -1.08 0.00 0.00 179.45 178.84 3hdg n ALA 76 N -2.33 6.14 -1.73 3.86 0.00 0.75 -2.99 120.51 124.22 3hdg n ALA 76 Ca -0.03 -2.75 0.00 0.00 0.00 0.00 0.00 53.44 50.67 3hdg n ALA 76 Cb 0.11 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.61 3hdg n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hdg n GLY 77 N 0.68 0.35 0.00 0.00 0.00 -0.71 -4.91 105.19 100.59 3hdg n GLY 77 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 3hdg n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hdg n GLY 78 N 0.00 2.98 3.49 -0.02 0.00 -1.16 -5.05 105.19 105.43 3hdg n GLY 78 Ca 0.00 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 3hdg n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hdg n ALA 79 N 0.00 -1.05 -3.20 4.61 0.00 -1.26 -4.98 120.51 114.63 3hdg n ALA 79 Ca 0.00 0.11 -0.23 0.00 0.00 0.00 0.00 53.44 53.32 3hdg n ALA 79 Cb 0.00 -1.85 -0.06 0.00 0.00 0.00 0.00 19.45 17.54 3hdg n ALA 79 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hdg n LYS 80 N 0.27 1.02 -1.45 0.00 5.02 -1.26 -4.42 118.16 117.34 3hdg n LYS 80 Ca 0.11 -3.45 -0.30 0.00 -2.02 0.00 0.00 58.31 52.66 3hdg n LYS 80 Cb 0.42 -1.45 0.11 0.00 -0.02 0.00 0.00 35.03 34.09 3hdg n LYS 80 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3hdg s PRO 81 N -1.65 1.73 0.25 1.97 0.04 -1.26 -5.01 135.00 131.08 3hdg s PRO 81 Ca 0.37 0.65 -0.29 0.00 0.04 0.00 0.00 61.00 61.77 3hdg s PRO 81 Cb 0.21 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.78 3hdg s PRO 81 CO -0.09 -1.87 0.93 0.71 0.04 0.00 0.00 177.00 176.72 3hdg s TYR 82 N -3.10 3.92 -0.09 0.56 2.02 0.34 -4.95 117.35 116.04 3hdg s TYR 82 Ca 0.62 1.87 0.02 0.00 -0.37 0.00 0.00 57.07 59.20 3hdg s TYR 82 Cb -0.15 -2.95 0.02 0.00 -0.40 0.00 0.00 41.96 38.47 3hdg s TYR 82 CO 0.55 0.41 -0.13 0.08 -1.57 0.00 0.00 175.55 174.89 3hdg s VAL 83 N -1.27 1.27 -0.16 0.71 1.01 -1.26 -1.32 120.40 119.39 3hdg s VAL 83 Ca 0.43 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 3hdg s VAL 83 Cb -0.24 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 3hdg s VAL 83 CO 0.30 0.39 -0.07 -0.63 0.00 0.00 0.00 175.10 175.09 3hdg s ILE 84 N 0.98 3.49 -0.18 2.22 1.01 0.42 -1.79 121.20 127.34 3hdg s ILE 84 Ca -0.08 -0.50 -0.05 0.00 0.00 0.00 0.00 60.65 60.02 3hdg s ILE 84 Cb -0.15 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 3hdg s ILE 84 CO -0.00 0.49 0.01 -0.69 0.00 0.00 0.00 174.94 174.74 3hdg s VAL 85 N 0.52 4.16 -0.60 2.92 1.01 -0.33 -1.42 120.40 126.67 3hdg s VAL 85 Ca -0.05 -0.25 -0.24 0.00 0.00 0.00 0.00 61.98 61.43 3hdg s VAL 85 Cb -0.15 -2.86 0.05 0.00 0.00 0.00 0.00 36.38 33.42 3hdg s VAL 85 CO 0.03 0.46 0.97 -0.63 0.00 0.00 0.00 175.10 175.93 3hdg s ILE 86 N 0.64 4.32 0.30 2.22 1.01 -0.20 -0.53 121.20 128.95 3hdg s ILE 86 Ca -0.00 0.10 0.08 0.00 0.00 0.00 0.00 60.65 60.83 3hdg s ILE 86 Cb -0.14 -4.61 -0.04 0.00 0.01 0.00 0.00 42.46 37.68 3hdg s ILE 86 CO 0.02 -1.28 0.16 -0.94 0.00 0.00 0.00 174.94 172.91 3hdg s SER 87 N 3.17 5.05 0.00 3.58 1.04 -0.81 -4.06 113.70 121.67 3hdg s SER 87 Ca 0.28 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.19 3hdg s SER 87 Cb -0.13 -1.02 0.00 0.00 0.10 0.00 0.00 66.02 64.97 3hdg s SER 87 CO 0.16 -0.17 0.01 -0.24 0.98 0.00 0.00 173.24 173.98 3hdg n SER 90 N -1.16 0.02 0.00 7.02 2.88 -1.26 -4.62 113.62 116.50 3hdg n SER 90 Ca -0.05 -0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.25 3hdg n SER 90 Cb 0.59 0.07 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 3hdg n SER 90 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3hdg n GLU 91 N -0.07 3.21 0.00 -1.46 1.02 -1.26 -5.10 120.64 116.98 3hdg n GLU 91 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3hdg n GLU 91 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.47 3hdg n GLU 91 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3hdg n LYS 93 N 0.00 0.00 0.04 3.49 2.85 -1.26 -3.67 118.16 119.62 3hdg n LYS 93 Ca 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 3hdg n LYS 93 Cb 0.00 -0.15 -0.07 0.00 -0.65 0.00 0.00 35.03 34.16 3hdg n LYS 93 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 3hdg h TYR 94 N 0.00 -0.01 0.10 5.58 0.99 -1.99 -1.84 116.97 119.80 3hdg h TYR 94 Ca 0.00 -0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.75 3hdg h TYR 94 Cb 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 36.73 37.70 3hdg h TYR 94 CO 0.00 0.02 -0.29 0.35 -0.00 0.00 0.00 178.16 178.24 3hdg h PHE 95 N -0.04 -0.78 -0.30 4.88 3.57 -1.99 0.67 116.94 122.95 3hdg h PHE 95 Ca -0.00 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.58 3hdg h PHE 95 Cb 0.04 0.33 -0.06 0.00 2.79 0.00 0.00 35.95 39.04 3hdg h PHE 95 CO -0.07 -0.39 -0.11 0.82 -2.23 0.00 0.00 178.31 176.33 3hdg h ILE 96 N -0.50 0.62 -0.38 1.41 2.04 -1.87 -0.36 117.51 118.47 3hdg h ILE 96 Ca 0.03 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 3hdg h ILE 96 Cb 0.53 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3hdg h ILE 96 CO -0.18 0.00 0.11 0.50 0.00 0.00 0.00 178.15 178.58 3hdg h LYS 97 N -0.05 0.56 0.00 2.37 1.63 -1.15 -0.85 116.57 119.08 3hdg h LYS 97 Ca 0.15 -0.09 -0.02 0.00 -0.85 0.00 0.00 60.65 59.84 3hdg h LYS 97 Cb 0.28 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.81 3hdg h LYS 97 CO -0.34 0.50 -0.10 0.00 -3.45 0.00 0.00 179.45 176.06 3hdg h ALA 98 N 1.57 1.53 0.06 5.00 0.00 0.75 -1.17 119.26 127.01 3hdg h ALA 98 Ca 0.13 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3hdg h ALA 98 Cb 0.19 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3hdg h ALA 98 CO -0.01 0.12 -0.51 0.82 0.00 0.00 0.00 179.25 179.68 3hdg h ILE 99 N 0.00 1.56 -0.52 0.00 1.08 0.01 -1.14 117.51 118.50 3hdg h ILE 99 Ca -0.00 -2.30 0.08 0.00 -0.39 0.00 0.00 64.86 62.26 3hdg h ILE 99 Cb 0.22 3.04 -0.07 0.00 -3.07 0.00 0.00 36.82 36.94 3hdg h ILE 99 CO 0.01 0.64 0.14 -0.33 -0.69 0.00 0.00 178.15 177.92 3hdg h GLU 100 N -0.46 0.28 -0.27 2.37 5.08 -0.94 -1.02 114.58 119.61 3hdg h GLU 100 Ca -0.08 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3hdg h GLU 100 Cb 1.33 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 3hdg h GLU 100 CO 0.10 0.18 0.19 -0.07 -1.00 0.00 0.00 179.01 178.41 3hdg h LEU 101 N 0.29 0.16 0.00 1.33 3.38 -1.28 -3.46 115.31 115.72 3hdg h LEU 101 Ca 0.26 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3hdg h LEU 101 Cb 0.33 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3hdg h LEU 101 CO -0.31 0.11 0.00 0.61 0.09 0.00 0.00 178.44 178.94 3hdg n GLY 102 N -1.54 1.96 3.78 0.83 0.00 -0.39 -5.04 105.19 104.79 3hdg n GLY 102 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3hdg n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hdg s VAL 103 N -2.00 2.14 -0.17 1.61 1.01 -0.45 -4.83 120.40 117.71 3hdg s VAL 103 Ca 0.00 0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.00 3hdg s VAL 103 Cb 0.00 -3.09 -0.22 0.00 0.00 0.00 0.00 36.38 33.07 3hdg s VAL 103 CO 0.00 0.03 0.24 1.41 0.00 0.00 0.00 175.10 176.78 3hdg n HIS 104 N 0.43 1.04 -4.09 5.22 8.25 -0.93 -4.91 115.22 120.23 3hdg n HIS 104 Ca 0.01 0.30 -0.12 0.00 -0.26 0.00 0.00 57.72 57.65 3hdg n HIS 104 Cb 0.40 -1.12 -0.11 0.00 1.12 0.00 0.00 29.99 30.27 3hdg n HIS 104 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3hdg s LEU 105 N -7.32 2.33 -0.16 2.41 1.98 -0.74 -5.03 118.68 112.14 3hdg s LEU 105 Ca -0.26 -0.68 0.00 0.00 -2.89 0.00 0.00 54.13 50.30 3hdg s LEU 105 Cb 0.07 -0.14 0.03 0.00 0.66 0.00 0.00 46.19 46.81 3hdg s LEU 105 CO 0.68 -0.28 -0.12 -0.36 -1.89 0.00 0.00 176.35 174.38 3hdg s PHE 106 N -2.02 2.19 -0.23 5.38 0.08 -1.26 -1.19 117.98 120.93 3hdg s PHE 106 Ca -0.04 -1.31 -0.04 0.00 0.12 0.00 0.00 56.93 55.67 3hdg s PHE 106 Cb -0.06 -1.58 -0.00 0.00 -0.57 0.00 0.00 43.02 40.81 3hdg s PHE 106 CO -0.01 -0.68 -0.03 -1.17 -0.10 0.00 0.00 175.22 173.23 3hdg s LEU 107 N 1.48 3.05 0.29 -0.37 2.96 0.31 -4.95 118.68 121.45 3hdg s LEU 107 Ca 0.03 -0.50 -0.29 0.00 -0.22 0.00 0.00 54.13 53.15 3hdg s LEU 107 Cb -0.14 -1.74 -0.09 0.00 0.50 0.00 0.00 46.19 44.71 3hdg s LEU 107 CO -0.10 -0.06 1.08 -2.16 -1.32 0.00 0.00 176.35 173.80 3hdg s PRO 108 N 1.46 4.62 0.24 0.98 0.04 -1.26 -1.91 135.00 139.16 3hdg s PRO 108 Ca 0.05 1.75 -0.17 0.00 0.04 0.00 0.00 61.00 62.67 3hdg s PRO 108 Cb -0.15 -3.14 -0.08 0.00 0.04 0.00 0.00 34.50 31.17 3hdg s PRO 108 CO -0.03 0.21 0.69 0.15 0.04 0.00 0.00 177.00 178.06 3hdg s LYS 109 N -1.52 4.11 0.12 4.56 1.02 -1.26 -3.43 119.74 123.33 3hdg s LYS 109 Ca 0.45 0.72 -0.31 0.00 0.02 0.00 0.00 55.97 56.85 3hdg s LYS 109 Cb -0.30 -2.73 -0.09 0.00 -0.52 0.00 0.00 37.83 34.18 3hdg s LYS 109 CO 0.39 0.33 1.59 -2.14 -0.92 0.00 0.00 175.35 174.60 3hdg s PRO 110 N -2.34 4.21 0.13 -1.68 0.02 -1.26 -5.06 135.00 129.02 3hdg s PRO 110 Ca 0.46 2.33 -0.35 0.00 0.02 0.00 0.00 61.00 63.46 3hdg s PRO 110 Cb -0.14 -3.36 -0.15 0.00 0.02 0.00 0.00 34.50 30.86 3hdg s PRO 110 CO 0.20 -0.65 1.46 -0.89 -0.33 0.00 0.00 177.00 176.78 3hdg n ILE 111 N 4.31 0.01 -3.38 2.83 -0.00 -1.22 -4.91 119.36 117.00 3hdg n ILE 111 Ca 0.15 -0.00 -0.43 0.00 -0.00 0.00 0.00 62.75 62.46 3hdg n ILE 111 Cb 0.40 -1.19 -0.09 0.00 -0.00 0.00 0.00 39.64 38.76 3hdg n ILE 111 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 3hdg s GLU 112 N 0.69 3.03 0.24 0.38 2.02 -1.26 -4.99 118.70 118.81 3hdg s GLU 112 Ca 0.81 -0.94 -0.12 0.00 0.02 0.00 0.00 54.97 54.75 3hdg s GLU 112 Cb -0.81 -4.00 0.32 0.00 0.10 0.00 0.00 34.13 29.74 3hdg s GLU 112 CO 0.42 -0.85 1.60 -1.00 0.02 0.00 0.00 175.26 175.45 3hdg h PRO 113 N 8.70 -0.01 -0.06 0.39 0.13 -1.99 -2.30 132.00 136.87 3hdg h PRO 113 Ca -0.27 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.87 3hdg h PRO 113 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3hdg h PRO 113 CO 0.78 -0.00 -0.01 0.78 -0.23 0.00 0.00 178.00 179.32 3hdg h GLY 114 N -0.01 0.04 0.89 1.56 0.00 -2.03 -2.87 103.07 100.67 3hdg h GLY 114 Ca 0.37 0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.75 3hdg h GLY 114 CO -0.81 -0.02 0.44 0.07 0.00 0.00 0.00 176.54 176.22 3hdg h ARG 115 N 0.00 0.84 -0.09 4.80 0.11 -1.91 0.12 114.38 118.24 3hdg h ARG 115 Ca 0.03 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.06 3hdg h ARG 115 Cb 0.04 -0.19 0.00 0.00 1.11 0.00 0.00 29.97 30.93 3hdg h ARG 115 CO -0.06 0.56 0.00 -0.11 0.10 0.00 0.00 179.97 180.46 3hdg n LEU 116 N -4.66 0.09 0.00 0.08 7.94 -0.90 -0.60 117.00 118.96 3hdg n LEU 116 Ca 0.07 -0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 3hdg n LEU 116 Cb 0.07 -0.05 0.00 0.00 0.53 0.00 0.00 43.42 43.98 3hdg n LEU 116 CO 0.34 0.02 0.00 1.21 -1.11 0.00 0.00 177.39 177.85 3hdg n GLU 118 N 0.21 0.00 -0.16 1.96 2.13 0.40 -1.16 120.64 124.02 3hdg n GLU 118 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 3hdg n GLU 118 Cb 0.02 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.73 3hdg n GLU 118 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 3hdg h THR 119 N 0.00 1.25 -0.75 6.31 2.02 -1.08 -2.07 112.91 118.59 3hdg h THR 119 Ca 0.00 -0.97 -0.04 0.00 0.77 0.00 0.00 66.41 66.17 3hdg h THR 119 Cb 0.00 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 3hdg h THR 119 CO 0.00 0.34 0.33 -0.07 0.37 0.00 0.00 175.52 176.49 3hdg h LEU 120 N 0.64 1.01 -1.16 2.58 3.38 -1.39 -1.07 115.31 119.30 3hdg h LEU 120 Ca 0.14 -0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.05 3hdg h LEU 120 Cb 0.44 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 3hdg h LEU 120 CO 0.02 0.89 0.59 -0.33 0.09 0.00 0.00 178.44 179.69 3hdg h GLU 121 N 1.07 0.89 -0.47 1.13 4.39 -1.76 0.53 114.58 120.36 3hdg h GLU 121 Ca 0.26 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.79 3hdg h GLU 121 Cb 0.17 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 3hdg h GLU 121 CO -0.03 0.59 -0.15 -0.44 -1.16 0.00 0.00 179.01 177.82 3hdg h ASP 122 N 0.91 0.91 -0.26 1.42 3.45 -0.59 -2.72 116.42 119.53 3hdg h ASP 122 Ca 0.43 -0.31 -0.08 0.00 0.43 0.00 0.00 57.03 57.51 3hdg h ASP 122 Cb 0.41 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.92 3hdg h ASP 122 CO -0.19 1.05 -0.08 -0.26 -1.57 0.00 0.00 179.24 178.19 3hdg h PHE 123 N 0.80 0.69 -0.14 4.55 0.04 0.28 -2.60 116.94 120.56 3hdg h PHE 123 Ca 0.12 -0.11 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 3hdg h PHE 123 Cb 0.69 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.65 3hdg h PHE 123 CO 0.04 0.70 -0.16 0.07 -0.60 0.00 0.00 178.31 178.37 3hdg h ARG 124 N 0.59 0.35 -0.99 1.51 0.11 -1.19 -1.63 114.38 113.13 3hdg h ARG 124 Ca 0.11 -0.19 0.20 0.00 0.10 0.00 0.00 59.98 60.20 3hdg h ARG 124 Cb 0.49 0.01 -0.10 0.00 1.11 0.00 0.00 29.97 31.48 3hdg h ARG 124 CO 0.03 0.75 0.62 0.45 0.10 0.00 0.00 179.97 181.91 3hdg h HIS 125 N -0.03 0.96 -0.16 4.08 3.86 -1.39 0.26 115.15 122.73 3hdg h HIS 125 Ca 0.02 0.03 -0.15 0.00 -1.16 0.00 0.00 60.37 59.11 3hdg h HIS 125 Cb 0.70 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 3hdg h HIS 125 CO 0.09 0.21 -0.54 0.82 0.86 0.00 0.00 177.93 179.37 3hdg h ILE 126 N 0.68 1.33 -0.16 2.45 2.04 -1.27 -2.96 117.51 119.62 3hdg h ILE 126 Ca 0.56 -1.80 -0.03 0.00 1.00 0.00 0.00 64.86 64.59 3hdg h ILE 126 Cb 0.98 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 3hdg h ILE 126 CO -0.34 0.55 -0.02 0.50 0.00 0.00 0.00 178.15 178.84 3hdg h LYS 127 N 0.36 0.29 -0.39 2.37 3.64 0.45 -3.13 116.57 120.16 3hdg h LYS 127 Ca 0.01 -0.10 0.06 0.00 -1.27 0.00 0.00 60.65 59.34 3hdg h LYS 127 Cb 1.06 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.81 3hdg h LYS 127 CO 0.10 0.54 0.08 -0.07 -2.27 0.00 0.00 179.45 177.83 3hdg h LEU 128 N 0.01 0.03 -1.42 5.20 3.38 -1.19 2.10 115.31 123.42 3hdg h LEU 128 Ca 0.04 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.09 3hdg h LEU 128 Cb 0.42 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3hdg h LEU 128 CO 0.01 0.05 0.55 0.00 0.09 0.00 0.00 178.44 179.15 3hdg h ALA 129 N 1.29 1.63 0.00 1.53 0.00 -1.46 0.63 119.26 122.88 3hdg h ALA 129 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3hdg h ALA 129 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3hdg h ALA 129 CO -0.24 -0.59 -0.07 1.63 0.00 0.00 0.00 179.25 179.99 3hdg n LYS 130 N -2.85 4.17 -0.16 0.00 5.02 -0.49 -5.12 118.16 118.72 3hdg n LYS 130 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3hdg n LYS 130 Cb 0.61 -0.37 0.00 0.00 -0.02 0.00 0.00 35.03 35.25 3hdg n LYS 130 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27