#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrm s SER 4 N 0.00 4.13 0.00 1.61 1.04 -1.26 -4.86 113.70 114.36 3hrm s SER 4 Ca 0.00 1.27 0.00 0.00 0.48 0.00 0.00 55.95 57.70 3hrm s SER 4 Cb 0.00 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.15 3hrm s SER 4 CO 0.00 -2.20 0.78 1.41 0.98 0.00 0.00 173.24 174.22 3hrm n HIS 5 N -3.57 0.00 0.00 5.02 -0.00 -1.26 -1.95 115.22 113.46 3hrm n HIS 5 Ca 0.07 -0.39 0.00 0.00 -0.00 0.00 0.00 57.72 57.40 3hrm n HIS 5 Cb 0.57 -0.30 0.00 0.00 -0.00 0.00 0.00 29.99 30.25 3hrm n HIS 5 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.34 177.32 3hrm n TYR 7 N 1.45 0.00 -0.19 4.41 9.36 -1.26 -0.88 117.16 130.05 3hrm n TYR 7 Ca 0.00 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.14 3hrm n TYR 7 Cb 0.23 0.00 0.02 0.00 -0.63 0.00 0.00 39.34 38.96 3hrm n TYR 7 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3hrm h LEU 8 N 0.00 0.72 -0.90 2.98 3.38 -1.72 -1.84 115.31 117.93 3hrm h LEU 8 Ca 0.00 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 3hrm h LEU 8 Cb 0.00 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3hrm h LEU 8 CO 0.00 0.68 0.33 0.28 0.09 0.00 0.00 178.44 179.82 3hrm h SER 9 N 0.72 1.03 -0.62 -0.43 0.02 -1.27 -1.05 113.55 111.95 3hrm h SER 9 Ca 0.18 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 3hrm h SER 9 Cb 0.17 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 3hrm h SER 9 CO -0.02 0.90 0.24 0.50 -1.14 0.00 0.00 176.83 177.32 3hrm h LYS 10 N 1.11 0.94 -0.41 3.45 3.64 -1.72 -2.88 116.57 120.69 3hrm h LYS 10 Ca 0.26 -0.17 -0.12 0.00 -1.27 0.00 0.00 60.65 59.34 3hrm h LYS 10 Cb 0.18 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3hrm h LYS 10 CO -0.03 0.80 -0.24 1.96 -2.27 0.00 0.00 179.45 179.67 3hrm h GLN 11 N 0.87 0.84 -0.99 1.90 1.08 -0.98 -1.90 115.11 115.93 3hrm h GLN 11 Ca 0.21 -0.36 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 3hrm h GLN 11 Cb 0.22 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 3hrm h GLN 11 CO -0.02 0.99 0.00 1.28 -0.95 0.00 0.00 178.83 180.14 3hrm n LEU 12 N -4.10 0.65 0.00 1.46 4.77 -0.43 -0.76 117.00 118.59 3hrm n LEU 12 Ca -0.00 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 3hrm n LEU 12 Cb 0.45 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3hrm n LEU 12 CO 0.45 0.12 0.00 0.33 -1.33 0.00 0.00 177.39 176.97 3hrm n PHE 14 N 0.58 0.00 -0.09 -1.77 7.35 -0.72 -1.29 117.46 121.52 3hrm n PHE 14 Ca 0.00 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.67 3hrm n PHE 14 Cb 0.12 0.00 0.21 0.00 0.35 0.00 0.00 39.48 40.16 3hrm n PHE 14 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3hrm h LEU 15 N 0.00 0.70 -0.28 -2.13 3.38 -1.20 0.98 115.31 116.75 3hrm h LEU 15 Ca 0.00 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 3hrm h LEU 15 Cb 0.00 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3hrm h LEU 15 CO 0.00 0.72 -0.38 -0.26 0.09 0.00 0.00 178.44 178.61 3hrm h PHE 16 N 0.71 0.93 -0.01 1.13 0.04 -1.42 -0.41 116.94 117.92 3hrm h PHE 16 Ca 0.15 -0.30 -0.00 0.00 2.80 0.00 0.00 57.97 60.62 3hrm h PHE 16 Cb 0.33 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.30 3hrm h PHE 16 CO 0.02 1.09 0.00 -0.92 -0.60 0.00 0.00 178.31 177.90 3hrm h TYR 17 N 0.51 0.01 -0.28 -0.55 3.20 -1.69 -1.37 116.97 116.80 3hrm h TYR 17 Ca 0.03 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 3hrm h TYR 17 Cb 0.97 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 3hrm h TYR 17 CO 0.08 0.06 0.04 0.28 -1.64 0.00 0.00 178.16 176.98 3hrm h VAL 18 N -0.05 1.23 -0.31 1.81 2.07 -0.77 0.14 116.25 120.37 3hrm h VAL 18 Ca 0.00 -0.79 0.06 0.00 0.82 0.00 0.00 66.70 66.79 3hrm h VAL 18 Cb 0.06 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 3hrm h VAL 18 CO -0.00 0.26 -0.08 0.28 0.02 0.00 0.00 177.57 178.05 3hrm h SER 19 N 0.27 -0.28 -0.35 0.57 0.02 -1.03 0.23 113.55 112.98 3hrm h SER 19 Ca 0.08 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3hrm h SER 19 Cb 0.34 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 3hrm h SER 19 CO 0.01 -0.10 0.21 -1.28 -1.14 0.00 0.00 176.83 174.53 3hrm h SER 20 N 0.00 0.41 -0.57 3.07 0.87 -1.13 -1.92 113.55 114.28 3hrm h SER 20 Ca 0.15 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 3hrm h SER 20 Cb 0.22 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 3hrm h SER 20 CO -0.31 0.34 0.18 0.11 -0.53 0.00 0.00 176.83 176.61 3hrm h LYS 21 N 0.46 0.89 -0.31 2.24 1.79 -0.14 -1.26 116.57 120.24 3hrm h LYS 21 Ca 0.13 -0.19 -0.05 0.00 -2.18 0.00 0.00 60.65 58.35 3hrm h LYS 21 Cb -0.01 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.50 3hrm h LYS 21 CO -0.02 0.81 -0.04 0.93 -1.08 0.00 0.00 179.45 180.04 3hrm h GLU 22 N 0.81 0.48 -0.03 3.15 5.08 -0.41 -1.45 114.58 122.21 3hrm h GLU 22 Ca 0.18 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3hrm h GLU 22 Cb 0.29 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 3hrm h GLU 22 CO -0.01 0.55 -0.02 0.82 -1.00 0.00 0.00 179.01 179.35 3hrm h ILE 23 N 0.46 1.35 0.01 3.13 2.04 -1.08 -3.01 117.51 120.42 3hrm h ILE 23 Ca 0.10 -1.08 0.03 0.00 1.00 0.00 0.00 64.86 64.90 3hrm h ILE 23 Cb 0.37 2.02 -0.04 0.00 -0.74 0.00 0.00 36.82 38.43 3hrm h ILE 23 CO 0.02 0.29 -0.21 0.40 0.00 0.00 0.00 178.15 178.64 3hrm h ILE 24 N -0.36 0.50 -0.61 -0.67 1.08 -1.02 -1.94 117.51 114.50 3hrm h ILE 24 Ca 0.01 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 3hrm h ILE 24 Cb 0.48 0.50 -0.10 0.00 -3.07 0.00 0.00 36.82 34.64 3hrm h ILE 24 CO 0.01 0.00 -0.55 0.50 -0.69 0.00 0.00 178.15 177.42 3hrm h LYS 25 N -0.35 -0.25 -0.34 2.37 3.64 -1.31 0.31 116.57 120.64 3hrm h LYS 25 Ca 0.06 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.51 3hrm h LYS 25 Cb 0.42 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 3hrm h LYS 25 CO -0.19 -0.17 0.00 0.87 -2.27 0.00 0.00 179.45 177.70 3hrm h LYS 26 N -0.26 0.10 -0.98 1.90 1.57 -1.37 -1.60 116.57 115.93 3hrm h LYS 26 Ca 0.12 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.94 3hrm h LYS 26 Cb 0.54 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.77 3hrm h LYS 26 CO -0.71 0.07 0.64 1.88 -0.57 0.00 0.00 179.45 180.75 3hrm h TYR 27 N 0.10 1.19 -0.30 -1.35 -1.99 -0.39 -2.42 116.97 111.81 3hrm h TYR 27 Ca 0.16 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.92 3hrm h TYR 27 Cb 0.22 -0.39 -0.01 0.00 2.00 0.00 0.00 36.73 38.54 3hrm h TYR 27 CO -0.24 0.66 0.15 1.15 -0.00 0.00 0.00 178.16 179.88 3hrm h THR 28 N 1.20 1.15 -0.63 -2.88 2.02 0.20 0.70 112.91 114.68 3hrm h THR 28 Ca 0.41 -0.41 0.05 0.00 0.77 0.00 0.00 66.41 67.23 3hrm h THR 28 Cb 0.07 0.88 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 3hrm h THR 28 CO -0.14 0.15 0.34 -1.13 0.37 0.00 0.00 175.52 175.11 3hrm h ASN 29 N 0.35 0.51 1.56 4.18 -1.24 -0.86 -2.08 115.58 118.00 3hrm h ASN 29 Ca 0.10 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.14 3hrm h ASN 29 Cb 0.10 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.08 3hrm h ASN 29 CO -0.01 0.34 -0.23 1.88 -1.29 0.00 0.00 177.43 178.12 3hrm h TYR 30 N 0.64 0.00 0.00 0.67 0.05 -1.27 -3.32 116.97 113.74 3hrm h TYR 30 Ca 0.28 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.06 3hrm h TYR 30 Cb 0.16 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.90 3hrm h TYR 30 CO -0.08 0.00 -0.75 -0.07 -1.05 0.00 0.00 178.16 176.20 3hrm h LEU 31 N 0.00 0.00 -0.68 3.88 4.07 -0.43 -3.37 115.31 118.77 3hrm h LEU 31 Ca 0.00 -0.14 0.08 0.00 0.08 0.00 0.00 57.88 57.90 3hrm h LEU 31 Cb 0.89 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.57 3hrm h LEU 31 CO 0.00 0.07 0.35 0.11 -1.08 0.00 0.00 178.44 177.89 3hrm h LYS 32 N 0.00 0.60 -0.23 1.13 1.57 -1.49 -1.57 116.57 116.57 3hrm h LYS 32 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3hrm h LYS 32 Cb 0.84 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.02 3hrm h LYS 32 CO 0.00 0.40 0.00 -0.85 -0.57 0.00 0.00 179.45 178.43 3hrm n GLU 33 N -4.84 0.43 0.00 3.15 0.28 -1.26 -0.41 120.64 117.98 3hrm n GLU 33 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 3hrm n GLU 33 Cb 0.23 -1.12 0.00 0.00 1.43 0.00 0.00 31.44 31.98 3hrm n GLU 33 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3hrm n TYR 34 N -0.07 0.00 -3.63 -1.84 4.01 -0.62 -5.01 117.16 110.01 3hrm n TYR 34 Ca 0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.50 3hrm n TYR 34 Cb 0.06 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.16 3hrm n TYR 34 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3hrm n ASP 35 N -0.12 -5.46 -4.30 7.72 8.00 0.45 -4.99 116.55 117.85 3hrm n ASP 35 Ca 0.00 -0.59 -0.27 0.00 0.71 0.00 0.00 54.79 54.64 3hrm n ASP 35 Cb 0.10 -4.86 -0.14 0.00 -0.02 0.00 0.00 41.12 36.20 3hrm n ASP 35 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hrm s LEU 36 N -7.17 2.22 0.38 0.64 1.43 -1.07 -5.05 118.68 110.06 3hrm s LEU 36 Ca 0.51 -0.61 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 3hrm s LEU 36 Cb -0.23 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.92 3hrm s LEU 36 CO 0.75 0.17 0.55 0.42 0.23 0.00 0.00 176.35 178.47 3hrm s THR 37 N -0.91 4.06 0.22 5.49 -4.23 -1.26 -4.31 115.64 114.69 3hrm s THR 37 Ca 0.09 -0.79 -0.08 0.00 -1.18 0.00 0.00 61.69 59.74 3hrm s THR 37 Cb -0.10 -3.44 0.16 0.00 1.34 0.00 0.00 72.50 70.46 3hrm s THR 37 CO 0.03 -0.23 1.80 0.22 -0.54 0.00 0.00 174.62 175.89 3hrm h TYR 38 N 0.69 0.67 -0.03 3.99 3.20 -1.94 0.32 116.97 123.86 3hrm h TYR 38 Ca -0.46 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.35 3hrm h TYR 38 Cb 1.25 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 3hrm h TYR 38 CO 0.44 0.28 -0.39 1.15 -1.64 0.00 0.00 178.16 178.00 3hrm h THR 39 N 0.66 1.29 -0.22 1.81 2.02 -1.99 -0.25 112.91 116.23 3hrm h THR 39 Ca 0.33 -1.39 -0.03 0.00 0.77 0.00 0.00 66.41 66.09 3hrm h THR 39 Cb 0.27 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 3hrm h THR 39 CO -0.22 0.40 0.02 1.23 0.37 0.00 0.00 175.52 177.32 3hrm h GLY 40 N 1.20 0.41 0.90 2.16 0.00 -1.48 -1.68 103.07 104.57 3hrm h GLY 40 Ca 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 47.33 47.07 3hrm h GLY 40 CO 0.05 0.26 0.49 -1.82 0.00 0.00 0.00 176.54 175.53 3hrm h TYR 41 N 0.16 0.92 -0.66 5.60 3.20 -0.58 -1.24 116.97 124.37 3hrm h TYR 41 Ca 0.07 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3hrm h TYR 41 Cb 0.36 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 3hrm h TYR 41 CO 0.03 0.54 0.42 0.82 -1.64 0.00 0.00 178.16 178.32 3hrm h ILE 42 N 0.96 1.18 0.07 1.81 1.08 -0.79 -2.83 117.51 118.99 3hrm h ILE 42 Ca 0.30 -0.36 -0.00 0.00 -0.39 0.00 0.00 64.86 64.41 3hrm h ILE 42 Cb -0.01 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 33.97 3hrm h ILE 42 CO -0.10 0.18 -0.03 0.58 -0.69 0.00 0.00 178.15 178.08 3hrm h VAL 43 N 0.89 1.05 0.00 1.67 2.07 -0.81 -0.40 116.25 120.73 3hrm h VAL 43 Ca 0.24 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3hrm h VAL 43 Cb -0.07 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3hrm h VAL 43 CO -0.05 0.10 0.00 0.18 0.02 0.00 0.00 177.57 177.82 3hrm n LEU 44 N -5.05 0.00 0.00 2.57 4.77 -0.51 -1.56 117.00 117.22 3hrm n LEU 44 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3hrm n LEU 44 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3hrm n LEU 44 CO 0.33 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.39 3hrm n ALA 46 N 0.23 0.00 -2.60 -1.18 0.00 -0.16 -4.71 120.51 112.09 3hrm n ALA 46 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3hrm n ALA 46 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3hrm n ALA 46 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hrm s ILE 47 N 0.00 4.85 0.36 0.00 1.01 -0.60 -5.03 121.20 121.79 3hrm s ILE 47 Ca 0.00 0.95 -0.26 0.00 0.00 0.00 0.00 60.65 61.34 3hrm s ILE 47 Cb 0.00 -4.09 -0.09 0.00 0.01 0.00 0.00 42.46 38.29 3hrm s ILE 47 CO 0.00 -0.24 1.12 -1.61 0.00 0.00 0.00 174.94 174.21 3hrm s GLU 48 N 2.81 4.28 0.42 2.79 0.41 -1.26 -4.97 118.70 123.18 3hrm s GLU 48 Ca 0.29 1.75 -0.27 0.00 -0.41 0.00 0.00 54.97 56.33 3hrm s GLU 48 Cb -0.14 -2.82 -0.10 0.00 -1.78 0.00 0.00 34.13 29.29 3hrm s GLU 48 CO 0.13 -0.10 1.47 0.09 -0.49 0.00 0.00 175.26 176.36 3hrm n ASN 49 N 0.42 3.58 -2.94 -0.19 3.02 -1.26 -1.75 115.26 116.13 3hrm n ASN 49 Ca 0.03 1.17 -0.22 0.00 -0.03 0.00 0.00 54.58 55.53 3hrm n ASN 49 Cb 0.47 -1.62 0.03 0.00 -0.61 0.00 0.00 39.78 38.05 3hrm n ASN 49 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3hrm n ASP 50 N 0.12 -6.14 -3.99 6.41 8.00 -1.26 -4.97 116.55 114.72 3hrm n ASP 50 Ca 0.03 -0.26 -0.31 0.00 0.71 0.00 0.00 54.79 54.96 3hrm n ASP 50 Cb 0.40 -4.97 -0.15 0.00 -0.02 0.00 0.00 41.12 36.38 3hrm n ASP 50 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3hrm s GLU 51 N -5.63 1.67 -1.09 -1.24 2.12 -0.72 -5.03 118.70 108.77 3hrm s GLU 51 Ca 0.27 -1.46 -0.20 0.00 0.36 0.00 0.00 54.97 53.95 3hrm s GLU 51 Cb -0.12 -2.87 0.09 0.00 0.26 0.00 0.00 34.13 31.49 3hrm s GLU 51 CO 0.34 -0.76 1.45 0.21 -0.54 0.00 0.00 175.26 175.96 3hrm s LYS 52 N 1.13 3.75 0.16 4.30 2.20 -1.26 -4.48 119.74 125.53 3hrm s LYS 52 Ca 0.01 -1.64 -0.21 0.00 -0.36 0.00 0.00 55.97 53.77 3hrm s LYS 52 Cb -0.19 -5.27 -0.08 0.00 -1.51 0.00 0.00 37.83 30.78 3hrm s LYS 52 CO -0.08 -2.08 0.68 -1.17 -0.36 0.00 0.00 175.35 172.34 3hrm s LEU 53 N 3.91 4.48 0.23 5.43 2.96 -0.09 -4.80 118.68 130.80 3hrm s LEU 53 Ca 0.45 1.42 -0.30 0.00 -0.22 0.00 0.00 54.13 55.48 3hrm s LEU 53 Cb -0.00 -3.27 -0.09 0.00 0.50 0.00 0.00 46.19 43.33 3hrm s LEU 53 CO -0.04 0.16 1.14 0.21 -1.32 0.00 0.00 176.35 176.50 3hrm s ASN 54 N -1.34 7.19 0.45 3.68 2.47 -1.26 -0.02 114.94 126.11 3hrm s ASN 54 Ca 0.36 2.24 0.15 0.00 0.42 0.00 0.00 52.86 56.03 3hrm s ASN 54 Cb -0.19 -2.62 1.09 0.00 -1.45 0.00 0.00 41.25 38.08 3hrm s ASN 54 CO 0.22 -0.25 2.00 -0.29 -3.72 0.00 0.00 177.10 175.06 3hrm h ILE 55 N 3.45 0.90 0.01 -5.21 2.10 -1.80 -1.03 117.51 115.92 3hrm h ILE 55 Ca -0.46 -0.11 -0.22 0.00 1.08 0.00 0.00 64.86 65.15 3hrm h ILE 55 Cb 1.21 0.54 -0.03 0.00 -1.09 0.00 0.00 36.82 37.46 3hrm h ILE 55 CO 0.71 0.06 -1.06 0.11 -1.08 0.00 0.00 178.15 176.89 3hrm h LYS 56 N 0.33 0.02 -0.29 2.19 1.57 -1.91 -1.05 116.57 117.43 3hrm h LYS 56 Ca 0.24 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.87 3hrm h LYS 56 Cb 0.52 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3hrm h LYS 56 CO -0.06 0.99 -0.27 -0.22 -0.57 0.00 0.00 179.45 179.32 3hrm h LYS 57 N 0.01 0.57 -0.09 3.15 3.64 -1.76 -2.44 116.57 119.64 3hrm h LYS 57 Ca -0.04 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 3hrm h LYS 57 Cb 1.80 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.59 3hrm h LYS 57 CO 0.13 0.79 0.01 1.25 -2.27 0.00 0.00 179.45 179.36 3hrm h LEU 58 N 0.50 0.15 -1.95 5.20 5.85 -1.06 -2.64 115.31 121.36 3hrm h LEU 58 Ca 0.07 -0.29 0.15 0.00 0.84 0.00 0.00 57.88 58.65 3hrm h LEU 58 Cb 0.73 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 3hrm h LEU 58 CO 0.06 0.40 0.39 1.23 -0.34 0.00 0.00 178.44 180.18 3hrm h GLY 59 N -0.11 0.08 0.72 3.75 0.00 -0.96 -0.16 103.07 106.40 3hrm h GLY 59 Ca 0.03 -0.02 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 3hrm h GLY 59 CO 0.00 0.01 -0.41 0.83 0.00 0.00 0.00 176.54 176.97 3hrm h GLU 60 N 0.05 0.37 0.00 4.80 4.39 -1.17 -1.01 114.58 122.01 3hrm h GLU 60 Ca 0.26 -0.33 -0.11 0.00 0.34 0.00 0.00 59.36 59.52 3hrm h GLU 60 Cb 0.99 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 3hrm h GLU 60 CO -0.01 0.98 -0.52 0.07 -1.16 0.00 0.00 179.01 178.37 3hrm h ARG 61 N -0.12 0.00 -0.28 2.33 0.11 -1.03 -3.10 114.38 112.29 3hrm h ARG 61 Ca -0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 3hrm h ARG 61 Cb 1.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.16 3hrm h ARG 61 CO 0.08 0.52 0.00 0.28 0.10 0.00 0.00 179.97 180.96 3hrm n VAL 62 N -3.51 0.35 -3.25 0.08 0.31 -0.14 -4.96 118.33 107.21 3hrm n VAL 62 Ca 0.00 -0.62 -0.21 0.00 -0.01 0.00 0.00 64.34 63.50 3hrm n VAL 62 Cb 0.62 0.96 -0.01 0.00 -0.91 0.00 0.00 33.84 34.50 3hrm n VAL 62 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3hrm n PHE 63 N 1.24 -1.71 -4.30 3.52 3.72 -0.47 -4.95 117.46 114.51 3hrm n PHE 63 Ca 0.18 0.38 -0.28 0.00 -0.05 0.00 0.00 57.45 57.68 3hrm n PHE 63 Cb 0.55 -2.60 -0.10 0.00 -0.94 0.00 0.00 39.48 36.39 3hrm n PHE 63 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3hrm s LEU 64 N -6.27 2.85 0.24 4.37 1.43 -0.67 -5.04 118.68 115.60 3hrm s LEU 64 Ca 0.34 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 3hrm s LEU 64 Cb -0.18 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 3hrm s LEU 64 CO 0.42 0.13 0.42 1.51 0.23 0.00 0.00 176.35 179.06 3hrm s ASP 65 N -2.59 6.35 0.45 2.29 1.47 -1.26 -4.49 116.67 118.89 3hrm s ASP 65 Ca 0.22 0.35 0.30 0.00 1.18 0.00 0.00 52.55 54.61 3hrm s ASP 65 Cb -0.09 -1.99 1.63 0.00 -0.34 0.00 0.00 42.92 42.13 3hrm s ASP 65 CO 0.13 -0.11 1.93 0.77 0.68 0.00 0.00 175.17 178.58 3hrm h SER 66 N 1.56 0.00 -0.99 2.11 4.64 -1.95 0.20 113.55 119.12 3hrm h SER 66 Ca -0.49 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.84 3hrm h SER 66 Cb 1.20 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.25 3hrm h SER 66 CO 0.65 0.00 0.66 1.23 -0.87 0.00 0.00 176.83 178.50 3hrm h GLY 67 N 0.15 1.40 0.00 -0.77 0.00 -2.01 -1.86 103.07 99.97 3hrm h GLY 67 Ca 0.00 -0.52 -0.20 0.00 0.00 0.00 0.00 47.33 46.61 3hrm h GLY 67 CO 0.00 0.51 -1.95 -0.37 0.00 0.00 0.00 176.54 174.73 3hrm n THR 68 N -4.38 0.75 -0.18 4.70 5.66 -0.56 -4.52 114.28 115.75 3hrm n THR 68 Ca 0.12 -0.56 -0.09 0.00 -3.05 0.00 0.00 64.05 60.46 3hrm n THR 68 Cb 0.01 -0.41 0.01 0.00 -1.55 0.00 0.00 70.33 68.39 3hrm n THR 68 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 3hrm h LEU 69 N 0.00 0.85 -0.03 1.09 6.46 -0.64 -3.09 115.31 119.96 3hrm h LEU 69 Ca -0.30 -0.28 0.00 0.00 -0.12 0.00 0.00 57.88 57.19 3hrm h LEU 69 Cb 1.61 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 41.31 3hrm h LEU 69 CO 0.02 0.92 0.00 0.74 -0.62 0.00 0.00 178.44 179.49 3hrm h THR 70 N 0.76 0.99 -0.20 1.05 2.02 -1.56 -1.69 112.91 114.28 3hrm h THR 70 Ca 0.16 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.31 3hrm h THR 70 Cb 0.44 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 3hrm h THR 70 CO 0.02 0.00 0.04 -0.65 0.37 0.00 0.00 175.52 175.29 3hrm h PRO 71 N 0.01 0.28 -0.06 6.66 0.11 -1.79 -2.32 132.00 134.89 3hrm h PRO 71 Ca 0.01 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.91 3hrm h PRO 71 Cb 0.01 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.08 3hrm h PRO 71 CO -0.02 0.27 -0.65 1.25 -0.21 0.00 0.00 178.00 178.65 3hrm h LEU 72 N 0.28 0.68 -1.73 2.35 5.85 -1.43 -2.96 115.31 118.34 3hrm h LEU 72 Ca 0.07 -0.69 -0.00 0.00 0.84 0.00 0.00 57.88 58.10 3hrm h LEU 72 Cb 0.13 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3hrm h LEU 72 CO -0.00 1.27 0.14 -0.07 -0.34 0.00 0.00 178.44 179.43 3hrm h LEU 73 N 0.14 0.28 -0.31 2.25 3.38 -1.06 -0.95 115.31 119.04 3hrm h LEU 73 Ca -0.06 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3hrm h LEU 73 Cb 1.31 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 3hrm h LEU 73 CO 0.13 0.22 0.04 0.11 0.09 0.00 0.00 178.44 179.03 3hrm h LYS 74 N 0.32 0.52 -0.56 1.13 1.57 -1.37 -0.26 116.57 117.93 3hrm h LYS 74 Ca 0.09 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 3hrm h LYS 74 Cb -0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3hrm h LYS 74 CO -0.02 0.62 0.13 -0.22 -0.57 0.00 0.00 179.45 179.39 3hrm h LYS 75 N 0.33 0.91 0.00 3.15 3.64 -1.10 -1.26 116.57 122.24 3hrm h LYS 75 Ca 0.09 -0.22 -0.06 0.00 -1.27 0.00 0.00 60.65 59.19 3hrm h LYS 75 Cb 0.37 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3hrm h LYS 75 CO 0.01 0.85 -0.27 -0.07 -2.27 0.00 0.00 179.45 177.70 3hrm h LEU 76 N 0.81 0.00 -0.57 5.20 3.38 -1.15 -2.11 115.31 120.88 3hrm h LEU 76 Ca 0.17 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.99 3hrm h LEU 76 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3hrm h LEU 76 CO 0.00 0.27 -0.59 -0.08 0.09 0.00 0.00 178.44 178.13 3hrm h GLU 77 N 0.00 0.41 -0.19 1.13 4.81 -0.32 -2.15 114.58 118.26 3hrm h GLU 77 Ca -0.00 -0.27 -0.10 0.00 -0.13 0.00 0.00 59.36 58.85 3hrm h GLU 77 Cb 0.57 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 3hrm h GLU 77 CO 0.04 0.88 -0.33 0.87 -0.73 0.00 0.00 179.01 179.73 3hrm h LYS 78 N 0.30 0.40 -0.01 1.92 1.57 -0.59 -2.27 116.57 117.90 3hrm h LYS 78 Ca -0.00 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3hrm h LYS 78 Cb 1.12 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3hrm h LYS 78 CO 0.10 0.69 0.00 1.63 -0.57 0.00 0.00 179.45 181.30 3hrm n LYS 79 N -4.08 1.05 -2.70 3.15 5.02 -0.99 -4.89 118.16 114.72 3hrm n LYS 79 Ca -0.01 -0.07 -0.17 0.00 -2.02 0.00 0.00 58.31 56.03 3hrm n LYS 79 Cb 0.45 -1.36 0.02 0.00 -0.02 0.00 0.00 35.03 34.11 3hrm n LYS 79 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3hrm n ASP 80 N -0.77 -5.09 -0.04 4.39 8.00 -0.86 -4.91 116.55 117.27 3hrm n ASP 80 Ca 0.17 -0.17 0.04 0.00 0.71 0.00 0.00 54.79 55.54 3hrm n ASP 80 Cb 0.10 -4.01 -0.16 0.00 -0.02 0.00 0.00 41.12 37.03 3hrm n ASP 80 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3hrm n TYR 81 N -4.18 0.00 -4.19 1.24 4.01 -0.82 -4.18 117.16 109.03 3hrm n TYR 81 Ca -0.12 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.48 3hrm n TYR 81 Cb 0.61 -0.64 -0.11 0.00 -0.31 0.00 0.00 39.34 38.89 3hrm n TYR 81 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3hrm s VAL 82 N -3.14 0.98 -0.09 -0.72 1.01 -1.18 -1.39 120.40 115.88 3hrm s VAL 82 Ca -0.08 -1.72 0.01 0.00 0.00 0.00 0.00 61.98 60.19 3hrm s VAL 82 Cb 0.11 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 35.05 3hrm s VAL 82 CO 0.85 -0.59 -0.09 -0.69 0.00 0.00 0.00 175.10 174.58 3hrm s VAL 83 N -2.61 1.00 -0.42 2.92 1.01 0.14 -4.43 120.40 118.02 3hrm s VAL 83 Ca 0.08 -0.34 -0.18 0.00 0.00 0.00 0.00 61.98 61.54 3hrm s VAL 83 Cb -0.02 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.40 3hrm s VAL 83 CO 0.00 0.35 0.47 -0.13 0.00 0.00 0.00 175.10 175.78 3hrm s ARG 84 N 1.22 3.16 -0.11 2.72 0.52 -1.26 -1.37 118.95 123.83 3hrm s ARG 84 Ca -0.04 -0.67 0.03 0.00 -0.52 0.00 0.00 55.73 54.52 3hrm s ARG 84 Cb -0.14 -3.95 -0.00 0.00 0.52 0.00 0.00 34.95 31.37 3hrm s ARG 84 CO -0.03 -0.86 -0.20 0.95 0.02 0.00 0.00 175.30 175.18 3hrm s THR 85 N 2.24 2.39 -1.27 0.02 -4.23 -0.26 -4.92 115.64 109.62 3hrm s THR 85 Ca 0.14 -0.90 -0.07 0.00 -1.18 0.00 0.00 61.69 59.68 3hrm s THR 85 Cb -0.17 -1.95 0.17 0.00 1.34 0.00 0.00 72.50 71.90 3hrm s THR 85 CO 0.14 0.55 2.03 -1.14 -0.54 0.00 0.00 174.62 175.66 3hrm n ARG 86 N 3.53 4.16 0.25 3.99 0.63 -1.26 -0.35 116.66 127.61 3hrm n ARG 86 Ca -0.19 -3.65 -0.17 0.00 -0.92 0.00 0.00 57.85 52.92 3hrm n ARG 86 Cb 0.53 -2.75 -0.08 0.00 0.45 0.00 0.00 32.46 30.60 3hrm n ARG 86 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3hrm h GLU 87 N 5.21 -0.82 0.00 -0.14 4.81 -1.95 -3.46 114.58 118.22 3hrm h GLU 87 Ca 0.50 0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.66 3hrm h GLU 87 Cb 0.49 0.19 -0.12 0.00 0.63 0.00 0.00 28.75 29.94 3hrm h GLU 87 CO 1.53 -0.55 -0.25 0.39 -0.73 0.00 0.00 179.01 179.40 3hrm n GLU 91 N -5.51 0.32 0.00 1.92 1.02 -1.26 -4.80 120.64 112.32 3hrm n GLU 91 Ca -0.11 -0.92 0.12 0.00 -0.02 0.00 0.00 57.16 56.23 3hrm n GLU 91 Cb 0.41 0.47 0.21 0.00 -0.02 0.00 0.00 31.44 32.50 3hrm n GLU 91 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hrm n ARG 92 N -0.36 1.08 -2.99 3.49 1.74 -1.26 -4.95 116.66 113.41 3hrm n ARG 92 Ca -0.22 -0.78 -0.20 0.00 -0.77 0.00 0.00 57.85 55.88 3hrm n ARG 92 Cb 0.69 -1.48 0.07 0.00 -1.02 0.00 0.00 32.46 30.72 3hrm n ARG 92 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3hrm s ASN 93 N -2.46 5.03 -0.20 0.55 0.01 -1.26 -5.11 114.94 111.51 3hrm s ASN 93 Ca 0.22 -0.80 -0.01 0.00 -0.71 0.00 0.00 52.86 51.57 3hrm s ASN 93 Cb 0.19 0.26 0.01 0.00 0.41 0.00 0.00 41.25 42.12 3hrm s ASN 93 CO 0.53 -1.39 -0.14 -0.22 -1.51 0.00 0.00 177.10 174.36 3hrm s LEU 94 N -4.71 2.41 0.17 0.60 2.96 -1.26 -4.40 118.68 114.44 3hrm s LEU 94 Ca 0.62 -0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 53.95 3hrm s LEU 94 Cb -0.06 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 3hrm s LEU 94 CO 0.39 -0.01 0.35 -1.10 -1.32 0.00 0.00 176.35 174.66 3hrm s GLN 95 N 1.35 3.51 -0.04 1.98 -1.52 0.53 -2.29 119.66 123.18 3hrm s GLN 95 Ca 0.05 -0.35 0.02 0.00 -1.95 0.00 0.00 55.36 53.13 3hrm s GLN 95 Cb -0.14 -2.88 0.01 0.00 -0.22 0.00 0.00 33.01 29.78 3hrm s GLN 95 CO -0.10 0.46 -0.08 0.42 -0.25 0.00 0.00 175.29 175.73 3hrm s ILE 96 N -1.77 0.81 0.06 1.08 1.01 0.98 -1.10 121.20 122.26 3hrm s ILE 96 Ca 0.38 -0.32 -0.03 0.00 0.00 0.00 0.00 60.65 60.68 3hrm s ILE 96 Cb -0.11 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 3hrm s ILE 96 CO 0.28 0.27 0.02 -0.44 0.00 0.00 0.00 174.94 175.08 3hrm s SER 97 N 0.59 0.38 0.13 3.58 0.01 -0.47 -0.91 113.70 117.01 3hrm s SER 97 Ca -0.10 -0.88 -0.19 0.00 1.31 0.00 0.00 55.95 56.09 3hrm s SER 97 Cb -0.13 0.23 -0.07 0.00 0.21 0.00 0.00 66.02 66.26 3hrm s SER 97 CO 0.01 -0.61 0.62 -0.76 0.41 0.00 0.00 173.24 172.91 3hrm s LEU 98 N -2.81 4.45 0.00 2.44 1.43 -1.26 0.27 118.68 123.20 3hrm s LEU 98 Ca 0.05 1.28 -0.09 0.00 -1.03 0.00 0.00 54.13 54.34 3hrm s LEU 98 Cb 0.06 -3.17 0.14 0.00 0.03 0.00 0.00 46.19 43.25 3hrm s LEU 98 CO -0.10 0.17 0.87 0.35 0.23 0.00 0.00 176.35 177.88 3hrm n THR 99 N 1.26 0.00 0.07 5.49 -2.24 -0.49 -4.82 114.28 113.56 3hrm n THR 99 Ca -0.07 -0.76 -0.04 0.00 -2.27 0.00 0.00 64.05 60.92 3hrm n THR 99 Cb 0.51 -1.54 0.18 0.00 -2.10 0.00 0.00 70.33 67.37 3hrm n THR 99 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3hrm h GLU 100 N 0.00 0.32 -0.01 -0.78 4.57 -1.88 -2.28 114.58 114.52 3hrm h GLU 100 Ca -0.28 -0.17 -0.19 0.00 -1.18 0.00 0.00 59.36 57.54 3hrm h GLU 100 Cb 0.82 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.41 3hrm h GLU 100 CO 0.22 0.71 -0.83 1.96 -1.18 0.00 0.00 179.01 179.88 3hrm h GLN 101 N 0.26 0.23 -0.54 1.92 4.20 -1.90 -2.16 115.11 117.13 3hrm h GLN 101 Ca 0.02 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.43 3hrm h GLN 101 Cb 0.89 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.71 3hrm h GLN 101 CO 0.07 0.94 0.07 0.78 -0.67 0.00 0.00 178.83 180.02 3hrm h GLY 102 N 1.71 0.97 0.93 3.46 0.00 -1.60 -1.08 103.07 107.46 3hrm h GLY 102 Ca -0.04 -0.66 -0.04 0.00 0.00 0.00 0.00 47.33 46.59 3hrm h GLY 102 CO 0.13 0.61 0.09 0.50 0.00 0.00 0.00 176.54 177.88 3hrm h LYS 103 N 0.79 0.63 0.50 4.80 1.57 -1.36 -2.89 116.57 120.60 3hrm h LYS 103 Ca 0.16 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3hrm h LYS 103 Cb 0.43 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3hrm h LYS 103 CO 0.01 0.66 -0.24 0.00 -0.57 0.00 0.00 179.45 179.32 3hrm h ALA 104 N 0.95 -0.67 -0.65 3.86 0.00 -1.19 -2.97 119.26 118.59 3hrm h ALA 104 Ca 0.12 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.03 3hrm h ALA 104 Cb 0.31 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3hrm h ALA 104 CO 0.00 -0.86 0.45 0.97 0.00 0.00 0.00 179.25 179.81 3hrm h ILE 105 N -0.69 0.78 0.00 0.00 2.10 -1.22 -0.59 117.51 117.89 3hrm h ILE 105 Ca -0.07 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.78 3hrm h ILE 105 Cb 0.52 0.50 0.00 0.00 -1.09 0.00 0.00 36.82 36.76 3hrm h ILE 105 CO 0.11 0.05 0.05 0.11 -1.08 0.00 0.00 178.15 177.39 3hrm h LYS 106 N 0.26 0.00 0.47 2.19 1.57 -1.33 -1.86 116.57 117.86 3hrm h LYS 106 Ca 0.31 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.07 3hrm h LYS 106 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 3hrm h LYS 106 CO -0.07 0.00 -0.22 1.03 -0.57 0.00 0.00 179.45 179.62 3hrm h SER 107 N 0.00 -0.53 0.20 0.86 0.87 -1.22 -2.38 113.55 111.34 3hrm h SER 107 Ca 0.00 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 3hrm h SER 107 Cb 0.10 0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 3hrm h SER 107 CO 0.00 -0.12 -0.15 1.55 -0.53 0.00 0.00 176.83 177.58 3hrm h PRO 108 N -1.16 0.00 -0.46 2.24 0.13 -1.58 -2.46 132.00 128.71 3hrm h PRO 108 Ca -0.06 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.02 3hrm h PRO 108 Cb 0.48 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.59 3hrm h PRO 108 CO 0.11 0.15 0.08 -0.07 -0.23 0.00 0.00 178.00 178.04 3hrm h LEU 109 N 0.00 0.65 -0.95 1.56 3.38 -1.37 -2.69 115.31 115.89 3hrm h LEU 109 Ca -0.00 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 3hrm h LEU 109 Cb 0.29 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3hrm h LEU 109 CO 0.02 0.67 -0.17 0.00 0.09 0.00 0.00 178.44 179.04 3hrm h ALA 110 N 1.42 1.12 -0.07 1.53 0.00 -0.93 -2.56 119.26 119.77 3hrm h ALA 110 Ca 0.15 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3hrm h ALA 110 Cb 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3hrm h ALA 110 CO 0.00 0.55 -0.24 0.93 0.00 0.00 0.00 179.25 180.49 3hrm h GLU 111 N 0.51 0.11 0.11 0.00 5.08 -1.46 -2.89 114.58 116.04 3hrm h GLU 111 Ca 0.09 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3hrm h GLU 111 Cb 0.59 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3hrm h GLU 111 CO 0.04 0.35 -0.05 0.82 -1.00 0.00 0.00 179.01 179.17 3hrm h ILE 112 N 0.10 0.95 -0.93 3.13 2.04 -1.30 -1.66 117.51 119.84 3hrm h ILE 112 Ca 0.02 -0.22 0.20 0.00 1.00 0.00 0.00 64.86 65.86 3hrm h ILE 112 Cb 0.49 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 37.58 3hrm h ILE 112 CO 0.03 0.05 0.61 -1.28 0.00 0.00 0.00 178.15 177.56 3hrm h SER 113 N -0.25 0.49 -0.22 1.72 0.87 -1.46 0.35 113.55 115.04 3hrm h SER 113 Ca -0.02 0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.51 3hrm h SER 113 Cb 0.20 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 3hrm h SER 113 CO 0.03 0.19 -0.21 0.58 -0.53 0.00 0.00 176.83 176.88 3hrm h VAL 114 N 0.48 1.32 -0.48 2.23 2.07 -1.39 -2.46 116.25 118.03 3hrm h VAL 114 Ca 0.50 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 3hrm h VAL 114 Cb 1.12 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 3hrm h VAL 114 CO -0.22 0.42 0.28 0.11 0.02 0.00 0.00 177.57 178.18 3hrm h LYS 115 N 0.22 0.66 0.18 1.57 1.57 0.02 -0.88 116.57 119.91 3hrm h LYS 115 Ca 0.03 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3hrm h LYS 115 Cb 0.76 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.90 3hrm h LYS 115 CO 0.05 0.50 -0.43 0.28 -0.57 0.00 0.00 179.45 179.28 3hrm h VAL 116 N 0.64 0.15 -0.00 0.50 2.07 -0.35 -2.69 116.25 116.56 3hrm h VAL 116 Ca 0.17 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.58 3hrm h VAL 116 Cb 0.02 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 3hrm h VAL 116 CO -0.03 0.00 -0.51 -0.26 0.02 0.00 0.00 177.57 176.79 3hrm h PHE 117 N -0.70 0.01 -0.28 1.57 0.04 -1.38 -2.67 116.94 113.53 3hrm h PHE 117 Ca 0.01 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3hrm h PHE 117 Cb 0.70 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 3hrm h PHE 117 CO -0.35 0.52 0.17 -0.91 -0.60 0.00 0.00 178.31 177.15 3hrm h ASN 118 N 0.01 0.33 0.30 2.17 2.35 -1.01 -2.16 115.58 117.57 3hrm h ASN 118 Ca -0.00 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3hrm h ASN 118 Cb 0.91 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.19 3hrm h ASN 118 CO 0.07 0.25 -0.02 -0.33 -1.65 0.00 0.00 177.43 175.75 3hrm h GLU 119 N 0.39 0.00 0.00 0.81 5.08 -1.14 -1.52 114.58 118.20 3hrm h GLU 119 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3hrm h GLU 119 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3hrm h GLU 119 CO -0.02 0.02 -0.06 0.74 -1.00 0.00 0.00 179.01 178.69 3hrm h PHE 120 N 0.00 0.00 -6.14 4.33 -1.00 -1.51 -3.48 116.94 109.14 3hrm h PHE 120 Ca -0.00 0.00 -0.41 0.00 2.81 0.00 0.00 57.97 60.37 3hrm h PHE 120 Cb 0.17 0.00 0.10 0.00 3.61 0.00 0.00 35.95 39.83 3hrm h PHE 120 CO 0.00 0.00 -0.93 0.09 -1.61 0.00 0.00 178.31 175.86 3hrm n ASN 121 N -2.52 -5.26 -4.69 2.17 5.03 -0.57 -5.02 115.26 104.40 3hrm n ASN 121 Ca 0.05 -0.98 -0.23 0.00 0.87 0.00 0.00 54.58 54.30 3hrm n ASN 121 Cb 0.46 -3.61 -0.06 0.00 -1.02 0.00 0.00 39.78 35.55 3hrm n ASN 121 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 3hrm s ILE 122 N -3.47 3.72 0.80 2.41 -4.36 -1.26 -5.11 121.20 113.92 3hrm s ILE 122 Ca 0.45 -1.78 -0.12 0.00 -0.26 0.00 0.00 60.65 58.95 3hrm s ILE 122 Cb -0.15 -3.00 0.07 0.00 1.25 0.00 0.00 42.46 40.64 3hrm s ILE 122 CO 0.85 -0.37 1.15 -0.94 0.24 0.00 0.00 174.94 175.87 3hrm s SER 123 N -3.72 4.55 0.33 4.36 1.04 -1.26 -4.87 113.70 114.12 3hrm s SER 123 Ca 0.32 0.93 0.04 0.00 0.48 0.00 0.00 55.95 57.72 3hrm s SER 123 Cb -0.07 -1.53 0.58 0.00 0.10 0.00 0.00 66.02 65.11 3hrm s SER 123 CO 0.21 -1.89 1.87 -0.33 0.98 0.00 0.00 173.24 174.08 3hrm h GLU 124 N -1.04 0.56 -0.18 4.02 3.07 -1.99 -0.86 114.58 118.15 3hrm h GLU 124 Ca -0.47 -0.12 -0.05 0.00 -0.50 0.00 0.00 59.36 58.23 3hrm h GLU 124 Cb 1.31 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 29.13 3hrm h GLU 124 CO 0.64 0.57 -0.07 -0.09 -1.40 0.00 0.00 179.01 178.66 3hrm h ARG 125 N 0.54 0.37 -0.78 2.33 2.43 -1.99 -1.08 114.38 116.20 3hrm h ARG 125 Ca 0.12 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3hrm h ARG 125 Cb 0.32 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 3hrm h ARG 125 CO 0.01 0.66 0.42 0.93 -1.51 0.00 0.00 179.97 180.47 3hrm h GLU 126 N 0.06 1.08 -0.76 0.20 5.08 -1.85 -1.08 114.58 117.31 3hrm h GLU 126 Ca 0.04 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3hrm h GLU 126 Cb 0.54 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3hrm h GLU 126 CO 0.02 0.79 0.32 0.00 -1.00 0.00 0.00 179.01 179.14 3hrm h ALA 127 N 1.38 0.99 -0.65 3.43 0.00 -1.00 -0.53 119.26 122.88 3hrm h ALA 127 Ca 0.27 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3hrm h ALA 127 Cb 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3hrm h ALA 127 CO -0.04 0.60 0.06 0.77 0.00 0.00 0.00 179.25 180.63 3hrm h SER 128 N 1.10 1.07 -0.45 0.00 0.02 -0.55 -0.72 113.55 114.02 3hrm h SER 128 Ca 0.26 -0.28 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3hrm h SER 128 Cb 0.20 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 3hrm h SER 128 CO -0.02 1.09 0.30 0.44 -1.14 0.00 0.00 176.83 177.49 3hrm h ASP 129 N 1.02 0.51 -0.42 3.07 5.19 -0.74 0.14 116.42 125.19 3hrm h ASP 129 Ca 0.19 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.57 3hrm h ASP 129 Cb 0.50 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.87 3hrm h ASP 129 CO 0.02 0.37 0.19 0.40 -3.12 0.00 0.00 179.24 177.10 3hrm h ILE 130 N 0.60 1.18 0.13 0.35 2.04 -0.82 0.11 117.51 121.10 3hrm h ILE 130 Ca 0.17 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 3hrm h ILE 130 Cb -0.06 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3hrm h ILE 130 CO -0.04 0.20 -0.06 0.40 0.00 0.00 0.00 178.15 178.65 3hrm h ILE 131 N 0.53 0.92 -0.21 -0.67 2.04 -0.82 0.28 117.51 119.58 3hrm h ILE 131 Ca 0.14 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.86 3hrm h ILE 131 Cb 0.14 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 3hrm h ILE 131 CO -0.02 0.05 -0.05 0.78 0.00 0.00 0.00 178.15 178.91 3hrm h ASN 132 N -0.26 -0.18 -0.25 1.72 -0.26 -0.61 0.30 115.58 116.03 3hrm h ASN 132 Ca -0.02 0.06 -0.02 0.00 -0.56 0.00 0.00 56.30 55.76 3hrm h ASN 132 Cb 0.21 0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.58 3hrm h ASN 132 CO 0.03 -0.06 0.10 0.78 -1.06 0.00 0.00 177.43 177.22 3hrm h ASN 133 N 0.01 0.39 1.03 5.81 2.35 -0.54 -2.45 115.58 122.18 3hrm h ASN 133 Ca 0.10 -0.04 -0.20 0.00 -0.55 0.00 0.00 56.30 55.62 3hrm h ASN 133 Cb 0.15 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 3hrm h ASN 133 CO -0.21 0.37 -0.94 -0.07 -1.65 0.00 0.00 177.43 174.93 3hrm h LEU 134 N 0.43 0.00 0.22 1.61 3.38 0.47 -2.13 115.31 119.29 3hrm h LEU 134 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3hrm h LEU 134 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3hrm h LEU 134 CO -0.01 0.94 -0.11 0.03 0.09 0.00 0.00 178.44 179.38 3hrm h ARG 135 N 0.00 -0.29 -0.53 1.13 3.08 -0.10 -1.09 114.38 116.57 3hrm h ARG 135 Ca -0.01 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.12 3hrm h ARG 135 Cb 1.71 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 31.77 3hrm h ARG 135 CO 0.12 -0.12 0.25 -0.97 -1.07 0.00 0.00 179.97 178.18 3hrm h ASN 136 N -0.39 0.34 -0.96 7.04 -1.24 -1.50 -2.51 115.58 116.36 3hrm h ASN 136 Ca -0.03 0.04 0.07 0.00 0.71 0.00 0.00 56.30 57.09 3hrm h ASN 136 Cb 0.30 -0.02 -0.07 0.00 0.73 0.00 0.00 38.32 39.26 3hrm h ASN 136 CO 0.05 0.23 0.61 0.15 -1.29 0.00 0.00 177.43 177.18 3hrm h PHE 137 N 0.48 1.13 0.00 0.67 3.57 -1.06 -1.98 116.94 119.76 3hrm h PHE 137 Ca 0.24 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.77 3hrm h PHE 137 Cb 0.19 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.56 3hrm h PHE 137 CO -0.12 0.57 0.00 0.28 -2.23 0.00 0.00 178.31 176.81 3hrm n VAL 138 N -4.55 0.32 0.00 1.41 0.31 -0.44 -5.09 118.33 110.28 3hrm n VAL 138 Ca 0.15 0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 3hrm n VAL 138 Cb 0.19 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 3hrm n VAL 138 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31