#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hpk h ARG 4 N 0.00 0.00 -6.88 3.49 3.08 -2.02 -3.46 114.38 108.59 2hpk h ARG 4 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 2hpk h ARG 4 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2hpk h ARG 4 CO 0.00 0.00 0.23 -0.51 -1.07 0.00 0.00 179.97 178.62 2hpk s LEU 5 N -6.87 4.05 0.00 3.04 1.43 -1.26 -4.99 118.68 114.08 2hpk s LEU 5 Ca -0.00 1.52 -0.04 0.00 -1.03 0.00 0.00 54.13 54.58 2hpk s LEU 5 Cb 0.00 -4.26 0.02 0.00 0.03 0.00 0.00 46.19 41.98 2hpk s LEU 5 CO 0.00 -0.25 0.20 -0.46 0.23 0.00 0.00 176.35 176.07 2hpk n ASN 6 N -0.35 -0.48 -0.16 2.29 0.23 -1.26 -5.02 115.26 110.50 2hpk n ASN 6 Ca 0.05 -1.31 0.21 0.00 -0.53 0.00 0.00 54.58 53.00 2hpk n ASN 6 Cb 0.53 0.80 0.61 0.00 -2.08 0.00 0.00 39.78 39.64 2hpk n ASN 6 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2hpk h GLU 7 N 0.00 0.20 -0.00 -3.83 3.07 -1.83 -1.33 114.58 110.86 2hpk h GLU 7 Ca -0.07 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 2hpk h GLU 7 Cb 0.28 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 2hpk h GLU 7 CO 0.09 0.13 -0.33 0.00 -1.40 0.00 0.00 179.01 177.50 2hpk n GLN 8 N -4.41 0.15 -0.01 2.33 10.64 -1.26 -4.32 117.38 120.50 2hpk n GLN 8 Ca 0.16 -0.07 0.02 0.00 -1.83 0.00 0.00 57.00 55.28 2hpk n GLN 8 Cb 0.72 -1.50 -0.05 0.00 -0.86 0.00 0.00 30.24 28.55 2hpk n GLN 8 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2hpk n ASN 9 N -1.36 3.40 -3.68 2.61 3.02 -0.81 -5.05 115.26 113.39 2hpk n ASN 9 Ca 0.07 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.53 2hpk n ASN 9 Cb 0.33 1.19 -0.10 0.00 -0.61 0.00 0.00 39.78 40.59 2hpk n ASN 9 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2hpk s ASN 10 N -3.01 -0.62 0.24 6.41 3.84 -0.57 -4.82 114.94 116.42 2hpk s ASN 10 Ca -0.03 1.08 0.05 0.00 0.21 0.00 0.00 52.86 54.17 2hpk s ASN 10 Cb 0.04 1.02 0.27 0.00 -0.55 0.00 0.00 41.25 42.03 2hpk s ASN 10 CO 0.29 -0.21 1.58 -0.08 -2.79 0.00 0.00 177.10 175.88 2hpk h GLU 11 N 7.21 0.24 -0.65 0.43 4.57 -1.84 -1.49 114.58 123.04 2hpk h GLU 11 Ca -0.33 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 57.62 2hpk h GLU 11 Cb 1.19 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.77 2hpk h GLU 11 CO 0.24 0.75 0.09 0.77 -1.18 0.00 0.00 179.01 179.68 2hpk h SER 12 N 0.18 1.03 -0.64 1.04 0.02 -1.84 0.55 113.55 113.89 2hpk h SER 12 Ca -0.00 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 60.63 2hpk h SER 12 Cb 1.07 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 2hpk h SER 12 CO 0.09 1.03 0.15 1.88 -1.14 0.00 0.00 176.83 178.84 2hpk h TYR 13 N 1.01 1.09 -0.28 3.45 -1.99 -1.76 -1.08 116.97 117.41 2hpk h TYR 13 Ca 0.20 -0.14 0.04 0.00 2.00 0.00 0.00 58.73 60.83 2hpk h TYR 13 Cb 0.45 -0.31 -0.04 0.00 2.00 0.00 0.00 36.73 38.83 2hpk h TYR 13 CO 0.03 0.91 0.05 0.00 -0.00 0.00 0.00 178.16 179.15 2hpk h ARG 14 N 0.96 0.14 0.30 4.88 3.08 -0.99 -0.80 114.38 121.96 2hpk h ARG 14 Ca 0.20 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 2hpk h ARG 14 Cb 0.38 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2hpk h ARG 14 CO 0.00 0.09 -0.24 -0.92 -1.07 0.00 0.00 179.97 177.83 2hpk h TYR 15 N 0.15 -0.65 -0.54 3.04 3.20 -0.68 -1.12 116.97 120.36 2hpk h TYR 15 Ca 0.13 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.08 2hpk h TYR 15 Cb 0.14 0.24 -0.07 0.00 1.54 0.00 0.00 36.73 38.59 2hpk h TYR 15 CO -0.17 -0.37 0.17 -0.07 -1.64 0.00 0.00 178.16 176.08 2hpk h LEU 16 N -0.56 0.14 -0.97 2.82 3.38 -0.98 -2.14 115.31 117.00 2hpk h LEU 16 Ca -0.02 0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 2hpk h LEU 16 Cb 0.49 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2hpk h LEU 16 CO -0.02 0.10 -0.48 0.03 0.09 0.00 0.00 178.44 178.17 2hpk h ARG 17 N 0.34 0.00 0.00 1.13 2.47 -1.06 0.07 114.38 117.33 2hpk h ARG 17 Ca 0.27 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.96 2hpk h ARG 17 Cb 0.33 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.65 2hpk h ARG 17 CO -0.30 0.48 -0.16 0.66 0.56 0.00 0.00 179.97 181.21 2hpk h SER 18 N 0.00 0.00 0.02 7.04 4.64 -0.52 -2.54 113.55 122.18 2hpk h SER 18 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2hpk h SER 18 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2hpk h SER 18 CO 0.06 0.16 -0.25 1.33 -0.87 0.00 0.00 176.83 177.26 2hpk n VAL 19 N -4.32 0.00 -0.48 0.95 0.24 -1.06 -4.99 118.33 108.67 2hpk n VAL 19 Ca -0.03 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 2hpk n VAL 19 Cb 0.23 1.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 2hpk n VAL 19 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2hpk n GLY 20 N 1.36 0.73 3.65 7.63 0.00 -0.86 -5.05 105.19 112.65 2hpk n GLY 20 Ca 0.12 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 2hpk n GLY 20 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2hpk s ASN 21 N -2.23 6.70 -0.01 1.61 3.84 -0.05 -4.95 114.94 119.85 2hpk s ASN 21 Ca 0.00 0.85 0.19 0.00 0.21 0.00 0.00 52.86 54.11 2hpk s ASN 21 Cb 0.00 -2.36 0.56 0.00 -0.55 0.00 0.00 41.25 38.90 2hpk s ASN 21 CO 0.00 -0.33 1.47 0.00 -2.79 0.00 0.00 177.10 175.45 2hpk n GLN 22 N 5.32 2.54 -1.52 0.43 1.13 -1.26 -3.78 117.38 120.23 2hpk n GLN 22 Ca 0.00 -2.28 -0.53 0.00 -1.94 0.00 0.00 57.00 52.25 2hpk n GLN 22 Cb 0.49 -1.52 -0.05 0.00 0.11 0.00 0.00 30.24 29.27 2hpk n GLN 22 CO 0.00 0.00 0.00 1.87 -1.44 0.00 0.00 177.06 177.49 2hpk n TRP 23 N 1.30 0.75 -4.08 1.08 -0.00 -1.26 -4.97 117.44 110.27 2hpk n TRP 23 Ca 0.21 0.86 -0.20 0.00 -0.00 0.00 0.00 57.50 58.38 2hpk n TRP 23 Cb 0.55 -2.16 -0.16 0.00 -0.00 0.00 0.00 31.31 29.54 2hpk n TRP 23 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 177.69 176.55 2hpk s GLN 24 N -0.27 0.74 0.22 5.87 2.00 -1.26 -5.07 119.66 121.89 2hpk s GLN 24 Ca 0.79 -0.06 -0.31 0.00 -2.00 0.00 0.00 55.36 53.79 2hpk s GLN 24 Cb -1.03 -0.82 -0.10 0.00 0.80 0.00 0.00 33.01 31.86 2hpk s GLN 24 CO 0.54 -0.12 1.55 0.12 -0.50 0.00 0.00 175.29 176.88 2hpk s PHE 25 N 1.07 2.97 -0.18 1.67 5.36 -1.26 -5.14 117.98 122.48 2hpk s PHE 25 Ca -0.09 0.75 -0.19 0.00 -0.96 0.00 0.00 56.93 56.44 2hpk s PHE 25 Cb -0.14 -3.94 -0.16 0.00 -0.34 0.00 0.00 43.02 38.43 2hpk s PHE 25 CO -0.01 -3.32 0.23 -0.97 -1.46 0.00 0.00 175.22 169.70 2hpk h ASN 26 N 5.90 0.00 0.00 6.13 -1.24 -2.01 -3.47 115.58 120.88 2hpk h ASN 26 Ca -0.44 -0.48 -0.21 0.00 0.71 0.00 0.00 56.30 55.88 2hpk h ASN 26 Cb 1.21 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.22 2hpk h ASN 26 CO 0.85 1.21 -1.95 -1.54 -1.29 0.00 0.00 177.43 174.71 2hpk n SER 36 N -4.52 1.35 -0.21 1.15 3.41 -1.26 -5.16 113.62 108.37 2hpk n SER 36 Ca -0.22 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.31 2hpk n SER 36 Cb 0.53 1.05 0.03 0.00 -0.26 0.00 0.00 64.21 65.55 2hpk n SER 36 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2hpk h ARG 37 N 0.00 0.95 -0.71 4.33 3.08 -2.07 -1.91 114.38 118.06 2hpk h ARG 37 Ca -0.32 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.50 2hpk h ARG 37 Cb 1.66 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 31.55 2hpk h ARG 37 CO 0.02 0.87 0.42 1.25 -1.07 0.00 0.00 179.97 181.46 2hpk h LEU 38 N 0.87 0.86 -0.86 3.04 5.85 -2.04 -2.97 115.31 120.06 2hpk h LEU 38 Ca 0.19 -0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.73 2hpk h LEU 38 Cb 0.34 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2hpk h LEU 38 CO 0.00 0.67 -0.35 1.88 -0.34 0.00 0.00 178.44 180.30 2hpk h TYR 39 N 0.97 0.50 -0.95 1.25 -1.99 -1.96 -2.11 116.97 112.67 2hpk h TYR 39 Ca 0.25 -0.13 0.16 0.00 2.00 0.00 0.00 58.73 61.02 2hpk h TYR 39 Cb -0.02 -0.11 -0.08 0.00 2.00 0.00 0.00 36.73 38.51 2hpk h TYR 39 CO -0.01 0.73 0.60 0.87 -0.00 0.00 0.00 178.16 180.35 2hpk h LYS 40 N 0.37 0.71 -0.43 4.88 6.56 -1.22 -0.76 116.57 126.67 2hpk h LYS 40 Ca 0.04 -0.04 -0.04 0.00 -1.06 0.00 0.00 60.65 59.55 2hpk h LYS 40 Cb 0.79 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 32.27 2hpk h LYS 40 CO 0.06 0.47 0.13 0.00 -2.06 0.00 0.00 179.45 178.05 2hpk h ARG 41 N 0.73 0.68 -0.43 3.15 3.08 -1.23 -1.58 114.38 118.78 2hpk h ARG 41 Ca 0.50 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 60.41 2hpk h ARG 41 Cb 0.80 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 2hpk h ARG 41 CO -0.27 0.67 0.27 0.35 -1.07 0.00 0.00 179.97 179.93 2hpk h PHE 42 N 0.56 0.51 0.00 3.04 3.57 -1.21 -2.27 116.94 121.14 2hpk h PHE 42 Ca 0.14 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.57 2hpk h PHE 42 Cb 0.28 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2hpk h PHE 42 CO 0.01 0.31 -0.40 -0.44 -2.23 0.00 0.00 178.31 175.56 2hpk h ASP 43 N 0.55 0.00 -0.63 0.41 3.32 -1.09 0.08 116.42 119.05 2hpk h ASP 43 Ca 0.16 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 2hpk h ASP 43 Cb -0.03 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 2hpk h ASP 43 CO -0.06 0.40 0.18 0.74 -1.72 0.00 0.00 179.24 178.79 2hpk h THR 44 N 0.00 1.25 0.00 0.35 2.02 -1.12 -3.19 112.91 112.22 2hpk h THR 44 Ca -0.00 -0.88 -0.05 0.00 0.77 0.00 0.00 66.41 66.24 2hpk h THR 44 Cb 0.75 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2hpk h THR 44 CO 0.05 0.33 -0.25 -0.26 0.37 0.00 0.00 175.52 175.77 2hpk h PHE 45 N 0.92 0.00 -1.78 3.16 0.04 -0.89 -3.39 116.94 115.00 2hpk h PHE 45 Ca 0.20 0.00 -0.69 0.00 2.80 0.00 0.00 57.97 60.29 2hpk h PHE 45 Cb 0.32 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 38.33 2hpk h PHE 45 CO 0.02 0.25 1.39 0.34 -0.60 0.00 0.00 178.31 179.71 2hpk s ASP 46 N -6.24 6.78 0.36 2.17 2.15 -0.03 -4.71 116.67 117.15 2hpk s ASP 46 Ca 0.00 -2.30 0.07 0.00 0.43 0.00 0.00 52.55 50.76 2hpk s ASP 46 Cb 0.10 -2.47 0.69 0.00 -0.30 0.00 0.00 42.92 40.94 2hpk s ASP 46 CO 0.65 -1.07 1.89 -0.07 -0.17 0.00 0.00 175.17 176.39 2hpk h LEU 47 N 11.08 0.35 -1.68 -1.34 3.38 -1.82 -2.14 115.31 123.14 2hpk h LEU 47 Ca 0.27 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2hpk h LEU 47 Cb 0.95 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2hpk h LEU 47 CO 1.28 0.47 0.00 -0.90 0.09 0.00 0.00 178.44 179.38 2hpk n ASP 48 N -4.27 2.58 -2.01 -0.43 5.75 -1.26 -4.98 116.55 111.92 2hpk n ASP 48 Ca 0.00 -1.85 -0.20 0.00 -0.01 0.00 0.00 54.79 52.74 2hpk n ASP 48 Cb 0.26 -0.06 -0.03 0.00 -1.03 0.00 0.00 41.12 40.26 2hpk n ASP 48 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2hpk n SER 49 N 0.98 -5.57 -0.10 -1.12 7.64 -0.80 -4.89 113.62 109.75 2hpk n SER 49 Ca 0.16 0.15 0.10 0.00 1.01 0.00 0.00 58.87 60.30 2hpk n SER 49 Cb 0.51 -4.67 0.56 0.00 -1.01 0.00 0.00 64.21 59.60 2hpk n SER 49 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2hpk n ASP 50 N -1.58 0.30 0.00 6.43 5.75 -1.26 -4.90 116.55 121.29 2hpk n ASP 50 Ca -0.22 -1.42 0.00 0.00 -0.01 0.00 0.00 54.79 53.13 2hpk n ASP 50 Cb 0.67 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 2hpk n ASP 50 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hpk n GLY 51 N 0.88 0.67 0.00 6.12 0.00 -1.26 -5.06 105.19 106.54 2hpk n GLY 51 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2hpk n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2hpk n LYS 52 N -2.60 1.46 0.00 1.61 4.81 -1.26 -1.47 118.16 120.71 2hpk n LYS 52 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2hpk n LYS 52 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2hpk n LYS 52 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2hpk n GLU 54 N 0.00 0.00 0.00 1.64 1.02 -1.26 -4.77 120.64 117.27 2hpk n GLU 54 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2hpk n GLU 54 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2hpk n GLU 54 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2hpk n ASP 56 N 0.00 0.00 -0.04 1.62 5.75 -1.26 -2.54 116.55 120.08 2hpk n ASP 56 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 54.79 54.62 2hpk n ASP 56 Cb 0.00 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 2hpk n ASP 56 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2hpk h GLU 57 N 0.00 0.66 0.00 0.11 5.08 -2.00 -3.05 114.58 115.38 2hpk h GLU 57 Ca 0.00 -0.50 -0.08 0.00 -1.00 0.00 0.00 59.36 57.78 2hpk h GLU 57 Cb 0.00 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2hpk h GLU 57 CO 0.00 1.12 -0.40 -0.39 -1.00 0.00 0.00 179.01 178.34 2hpk h VAL 58 N 0.33 1.15 -0.00 3.13 -1.51 -1.78 -2.99 116.25 114.59 2hpk h VAL 58 Ca -0.03 -1.43 0.00 0.00 -1.23 0.00 0.00 66.70 64.01 2hpk h VAL 58 Cb 1.19 1.80 0.00 0.00 -2.13 0.00 0.00 31.29 32.15 2hpk h VAL 58 CO 0.12 0.39 -0.08 0.18 -1.23 0.00 0.00 177.57 176.95 2hpk n LEU 59 N -3.87 0.15 -0.25 4.19 4.77 -1.21 -3.12 117.00 117.66 2hpk n LEU 59 Ca -0.01 0.28 0.04 0.00 -0.03 0.00 0.00 56.01 56.29 2hpk n LEU 59 Cb 0.46 -0.35 0.17 0.00 -2.33 0.00 0.00 43.42 41.36 2hpk n LEU 59 CO 0.38 0.03 1.03 0.22 -1.33 0.00 0.00 177.39 177.72 2hpk h TYR 60 N 0.11 0.55 0.27 -1.77 3.20 -1.41 -2.33 116.97 115.58 2hpk h TYR 60 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 2hpk h TYR 60 Cb 0.41 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.55 2hpk h TYR 60 CO 0.00 0.12 -0.13 -1.49 -1.64 0.00 0.00 178.16 175.02 2hpk h TRP 61 N 0.49 -0.33 -0.11 -3.82 4.06 -1.74 -0.72 115.95 113.79 2hpk h TRP 61 Ca 0.39 -0.01 -0.05 0.00 2.06 0.00 0.00 58.89 61.28 2hpk h TRP 61 Cb 0.53 0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.79 2hpk h TRP 61 CO -0.15 -0.08 -0.15 -1.00 -3.56 0.00 0.00 178.44 173.50 2hpk h PRO 62 N -0.54 0.17 -0.91 0.49 0.13 -1.77 -2.65 132.00 126.92 2hpk h PRO 62 Ca -0.04 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2hpk h PRO 62 Cb 0.40 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.46 2hpk h PRO 62 CO 0.06 0.32 0.55 -0.44 -0.23 0.00 0.00 178.00 178.27 2hpk h ASP 63 N 0.16 1.09 0.00 1.44 3.32 -1.26 -1.30 116.42 119.88 2hpk h ASP 63 Ca 0.03 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2hpk h ASP 63 Cb 0.37 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2hpk h ASP 63 CO 0.02 0.84 0.00 -1.14 -1.72 0.00 0.00 179.24 177.24 2hpk n ARG 64 N -4.39 0.56 0.00 3.56 0.63 -0.29 -3.34 116.66 113.40 2hpk n ARG 64 Ca 0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 2hpk n ARG 64 Cb 0.06 -1.22 0.00 0.00 0.45 0.00 0.00 32.46 31.75 2hpk n ARG 64 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 2hpk n ARG 66 N 0.96 0.00 0.21 -0.14 1.85 -0.49 -3.59 116.66 115.46 2hpk n ARG 66 Ca 0.00 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 56.95 2hpk n ARG 66 Cb 0.28 0.00 0.31 0.00 -1.05 0.00 0.00 32.46 32.00 2hpk n ARG 66 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 2hpk h GLN 67 N 0.00 0.00 0.00 2.89 1.08 -1.84 -3.32 115.11 113.92 2hpk h GLN 67 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2hpk h GLN 67 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2hpk h GLN 67 CO 0.00 0.16 -0.65 1.28 -0.95 0.00 0.00 178.83 178.68 2hpk n LEU 68 N -3.19 0.69 0.00 1.46 4.77 -1.24 -4.93 117.00 114.56 2hpk n LEU 68 Ca 0.02 0.21 -0.07 0.00 -0.03 0.00 0.00 56.01 56.15 2hpk n LEU 68 Cb 0.51 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 2hpk n LEU 68 CO 0.34 -0.05 -0.04 1.33 -1.33 0.00 0.00 177.39 177.64 2hpk n VAL 69 N -2.10 0.00 -3.35 4.08 0.24 -1.25 -5.10 118.33 110.85 2hpk n VAL 69 Ca 0.03 -0.76 -0.26 0.00 -2.04 0.00 0.00 64.34 61.31 2hpk n VAL 69 Cb 0.44 0.35 -0.08 0.00 -1.47 0.00 0.00 33.84 33.07 2hpk n VAL 69 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2hpk n ASN 70 N -2.36 1.25 -4.89 -1.34 4.13 -1.26 -4.94 115.26 105.85 2hpk n ASN 70 Ca 0.01 -2.88 -0.29 0.00 1.68 0.00 0.00 54.58 53.10 2hpk n ASN 70 Cb 0.19 -0.64 0.03 0.00 -1.54 0.00 0.00 39.78 37.81 2hpk n ASN 70 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2hpk s ALA 71 N -1.33 3.10 0.68 5.41 0.00 -1.26 -5.05 121.76 123.31 2hpk s ALA 71 Ca 0.35 -0.35 -0.15 0.00 0.00 0.00 0.00 51.96 51.81 2hpk s ALA 71 Cb 0.12 -2.91 0.01 0.00 0.00 0.00 0.00 23.12 20.34 2hpk s ALA 71 CO -0.11 -0.83 1.13 0.95 0.00 0.00 0.00 175.76 176.90 2hpk s THR 72 N -3.15 3.05 0.30 0.00 -4.23 -1.26 -4.81 115.64 105.54 2hpk s THR 72 Ca 0.55 0.49 0.07 0.00 -1.18 0.00 0.00 61.69 61.62 2hpk s THR 72 Cb -0.11 -3.02 0.30 0.00 1.34 0.00 0.00 72.50 71.02 2hpk s THR 72 CO 0.50 -0.30 1.75 0.44 -0.54 0.00 0.00 174.62 176.47 2hpk h ASP 73 N -0.05 0.67 -0.62 3.99 3.32 -1.99 -0.42 116.42 121.32 2hpk h ASP 73 Ca -0.47 0.12 -0.05 0.00 0.02 0.00 0.00 57.03 56.65 2hpk h ASP 73 Cb 1.26 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.79 2hpk h ASP 73 CO 0.53 0.17 0.20 -0.08 -1.72 0.00 0.00 179.24 178.34 2hpk h GLU 74 N 0.63 0.97 -0.52 3.56 4.81 -1.99 -1.35 114.58 120.69 2hpk h GLU 74 Ca 0.60 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 59.54 2hpk h GLU 74 Cb 1.04 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 2hpk h GLU 74 CO -0.44 0.85 0.01 1.96 -0.73 0.00 0.00 179.01 180.66 2hpk h GLN 75 N 0.89 0.92 -0.86 1.92 4.20 -1.63 -0.70 115.11 119.84 2hpk h GLN 75 Ca 0.20 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 2hpk h GLN 75 Cb 0.28 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 2hpk h GLN 75 CO -0.01 0.94 0.45 0.28 -0.67 0.00 0.00 178.83 179.82 2hpk h VAL 76 N 0.79 1.26 -0.21 -0.54 2.07 -1.00 -2.80 116.25 115.81 2hpk h VAL 76 Ca 0.15 -0.67 -0.17 0.00 0.82 0.00 0.00 66.70 66.83 2hpk h VAL 76 Cb 0.52 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2hpk h VAL 76 CO 0.03 0.30 -0.56 -0.08 0.02 0.00 0.00 177.57 177.27 2hpk h GLU 77 N 1.22 0.66 -0.74 1.57 4.57 -1.15 -1.06 114.58 119.64 2hpk h GLU 77 Ca 0.30 -0.42 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 2hpk h GLU 77 Cb 0.06 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 2hpk h GLU 77 CO -0.04 1.04 0.00 1.17 -1.18 0.00 0.00 179.01 179.99 2hpk n LYS 78 N -3.97 0.12 0.00 1.92 3.00 -0.28 -1.14 118.16 117.81 2hpk n LYS 78 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 2hpk n LYS 78 Cb 0.62 -1.19 0.00 0.00 0.00 0.00 0.00 35.03 34.46 2hpk n LYS 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2hpk n ARG 80 N 0.61 0.00 -0.11 1.64 1.74 -0.40 -1.36 116.66 118.79 2hpk n ARG 80 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 2hpk n ARG 80 Cb 0.04 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.45 2hpk n ARG 80 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 2hpk h ASP 81 N 0.00 0.95 -0.40 0.55 3.58 -1.40 -0.33 116.42 119.37 2hpk h ASP 81 Ca 0.00 -0.47 -0.05 0.00 0.42 0.00 0.00 57.03 56.92 2hpk h ASP 81 Cb 0.00 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.76 2hpk h ASP 81 CO 0.00 1.23 0.08 0.00 -2.88 0.00 0.00 179.24 177.68 2hpk h ALA 82 N 0.75 1.26 -0.33 -0.78 0.00 -1.45 -0.74 119.26 117.97 2hpk h ALA 82 Ca 0.05 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2hpk h ALA 82 Cb 0.97 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2hpk h ALA 82 CO 0.09 0.51 -0.07 0.28 0.00 0.00 0.00 179.25 180.07 2hpk h VAL 83 N 0.71 1.28 0.28 0.00 2.07 -1.79 0.61 116.25 119.40 2hpk h VAL 83 Ca 0.15 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2hpk h VAL 83 Cb 0.31 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2hpk h VAL 83 CO 0.00 0.36 -0.35 -0.09 0.02 0.00 0.00 177.57 177.51 2hpk h ARG 84 N 0.41 -0.66 -0.11 1.57 2.43 -0.81 -0.98 114.38 116.22 2hpk h ARG 84 Ca 0.09 0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.34 2hpk h ARG 84 Cb 0.56 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 2hpk h ARG 84 CO 0.03 -0.44 -0.13 0.28 -1.51 0.00 0.00 179.97 178.19 2hpk h VAL 85 N -0.69 0.64 -0.19 0.20 2.07 -1.11 -0.35 116.25 116.81 2hpk h VAL 85 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2hpk h VAL 85 Cb 0.65 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 2hpk h VAL 85 CO -0.11 0.00 -0.18 0.15 0.02 0.00 0.00 177.57 177.45 2hpk h PHE 86 N -0.17 -0.47 0.00 1.57 3.57 -0.68 -1.65 116.94 119.10 2hpk h PHE 86 Ca 0.08 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 2hpk h PHE 86 Cb 0.29 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 2hpk h PHE 86 CO -0.24 -0.26 -0.35 0.74 -2.23 0.00 0.00 178.31 175.96 2hpk h PHE 87 N -0.20 0.00 -0.51 0.41 0.04 -1.04 0.07 116.94 115.71 2hpk h PHE 87 Ca 0.12 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 2hpk h PHE 87 Cb 0.38 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 2hpk h PHE 87 CO -0.32 0.35 0.28 1.25 -0.60 0.00 0.00 178.31 179.27 2hpk h LEU 88 N 0.00 0.64 -0.98 1.54 5.85 -0.74 -0.12 115.31 121.50 2hpk h LEU 88 Ca -0.00 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.53 2hpk h LEU 88 Cb 1.11 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 2hpk h LEU 88 CO 0.05 0.54 -0.49 0.45 -0.34 0.00 0.00 178.44 178.65 2hpk h HIS 89 N 0.68 0.00 0.00 1.25 3.86 -0.90 -1.50 115.15 118.54 2hpk h HIS 89 Ca 0.18 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2hpk h HIS 89 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 2hpk h HIS 89 CO -0.02 0.49 0.00 1.63 0.86 0.00 0.00 177.93 180.89 2hpk n LYS 90 N -3.85 0.57 0.00 2.45 4.76 -0.02 -3.99 118.16 118.07 2hpk n LYS 90 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2hpk n LYS 90 Cb 0.52 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 32.37 2hpk n LYS 90 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2hpk n GLY 91 N 0.12 0.70 3.55 0.72 0.00 -0.57 -4.59 105.19 105.13 2hpk n GLY 91 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 2hpk n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hpk s VAL 92 N -2.00 3.70 0.35 1.61 1.01 -0.10 -4.36 120.40 120.60 2hpk s VAL 92 Ca 0.00 0.24 -0.26 0.00 0.00 0.00 0.00 61.98 61.96 2hpk s VAL 92 Cb 0.00 -4.81 -0.09 0.00 0.00 0.00 0.00 36.38 31.47 2hpk s VAL 92 CO 0.00 -1.75 1.02 -1.61 0.00 0.00 0.00 175.10 172.76 2hpk s GLU 93 N 5.81 4.39 0.29 2.72 0.41 -1.04 -4.23 118.70 127.06 2hpk s GLU 93 Ca 0.40 1.49 0.03 0.00 -0.41 0.00 0.00 54.97 56.49 2hpk s GLU 93 Cb -0.08 -2.74 0.65 0.00 -1.78 0.00 0.00 34.13 30.18 2hpk s GLU 93 CO 0.12 0.07 1.79 -1.35 -0.49 0.00 0.00 175.26 175.40 2hpk h PRO 94 N 2.96 0.77 0.00 0.39 0.10 -1.94 -0.90 132.00 133.38 2hpk h PRO 94 Ca -0.47 -0.05 -0.36 0.00 0.10 0.00 0.00 66.00 65.22 2hpk h PRO 94 Cb 1.21 -0.17 -0.06 0.00 0.10 0.00 0.00 31.00 32.07 2hpk h PRO 94 CO 0.64 0.51 -2.31 0.28 0.10 0.00 0.00 178.00 177.22 2hpk n VAL 95 N -4.75 1.31 0.60 3.15 0.31 -1.26 -4.68 118.33 113.00 2hpk n VAL 95 Ca 0.21 -0.45 0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2hpk n VAL 95 Cb 0.49 -1.46 0.16 0.00 -0.91 0.00 0.00 33.84 32.12 2hpk n VAL 95 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2hpk n ASN 96 N -3.44 0.67 0.00 4.52 3.02 -1.22 -5.04 115.26 113.77 2hpk n ASN 96 Ca -0.43 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.19 2hpk n ASN 96 Cb 0.90 0.24 0.00 0.00 -0.61 0.00 0.00 39.78 40.31 2hpk n ASN 96 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hpk n GLY 97 N 1.35 0.18 2.79 7.41 0.00 -0.35 -4.72 105.19 111.86 2hpk n GLY 97 Ca 0.03 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 2hpk n GLY 97 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2hpk s LEU 98 N 0.00 0.97 0.48 0.99 2.96 -1.26 -2.50 118.68 120.32 2hpk s LEU 98 Ca 0.00 -0.41 -0.22 0.00 -0.22 0.00 0.00 54.13 53.28 2hpk s LEU 98 Cb 0.00 -0.59 -0.07 0.00 0.50 0.00 0.00 46.19 46.03 2hpk s LEU 98 CO 0.00 -0.22 1.16 -0.76 -1.32 0.00 0.00 176.35 175.21 2hpk s LEU 99 N 1.86 3.95 0.44 -0.68 1.43 -1.26 -4.39 118.68 120.04 2hpk s LEU 99 Ca 0.03 2.29 0.17 0.00 -1.03 0.00 0.00 54.13 55.59 2hpk s LEU 99 Cb -0.14 -4.32 1.11 0.00 0.03 0.00 0.00 46.19 42.87 2hpk s LEU 99 CO -0.07 -1.00 1.93 -0.09 0.23 0.00 0.00 176.35 177.36 2hpk h ARG 100 N 1.85 0.34 0.00 1.70 2.43 -1.65 0.72 114.38 119.77 2hpk h ARG 100 Ca -0.50 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.60 2hpk h ARG 100 Cb 1.25 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 2hpk h ARG 100 CO 0.59 0.23 -0.26 0.93 -1.51 0.00 0.00 179.97 179.95 2hpk h GLU 101 N 0.35 0.00 -0.02 0.20 3.07 -1.92 -2.47 114.58 113.80 2hpk h GLU 101 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 2hpk h GLU 101 Cb 0.87 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 2hpk h GLU 101 CO -0.10 0.26 -0.25 -0.25 -1.40 0.00 0.00 179.01 177.27 2hpk n ASP 102 N -3.76 2.33 -0.09 1.42 8.00 0.19 -4.65 116.55 119.98 2hpk n ASP 102 Ca -0.01 -1.67 -0.07 0.00 0.71 0.00 0.00 54.79 53.75 2hpk n ASP 102 Cb 0.36 0.27 0.01 0.00 -0.02 0.00 0.00 41.12 41.73 2hpk n ASP 102 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 2hpk h TRP 103 N 3.18 0.14 -0.14 1.24 -0.00 -0.90 -0.55 115.95 118.93 2hpk h TRP 103 Ca 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 58.90 2hpk h TRP 103 Cb 0.80 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.16 29.94 2hpk h TRP 103 CO 0.00 0.05 0.04 0.28 -0.00 0.00 0.00 178.44 178.80 2hpk h VAL 104 N 0.20 1.19 -0.42 2.65 2.07 -1.83 -1.82 116.25 118.31 2hpk h VAL 104 Ca 0.15 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 66.97 2hpk h VAL 104 Cb 0.14 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2hpk h VAL 104 CO -0.18 0.18 -0.10 -0.08 0.02 0.00 0.00 177.57 177.41 2hpk h GLU 105 N 0.03 0.74 -0.66 1.57 4.81 -1.85 -2.07 114.58 117.16 2hpk h GLU 105 Ca 0.04 -0.24 0.06 0.00 -0.13 0.00 0.00 59.36 59.10 2hpk h GLU 105 Cb 0.25 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.51 2hpk h GLU 105 CO 0.00 0.82 0.36 0.00 -0.73 0.00 0.00 179.01 179.46 2hpk h ALA 106 N 1.21 0.88 -0.66 2.92 0.00 -0.90 -1.27 119.26 121.43 2hpk h ALA 106 Ca 0.12 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2hpk h ALA 106 Cb 0.57 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2hpk h ALA 106 CO 0.04 0.02 0.41 -0.91 0.00 0.00 0.00 179.25 178.81 2hpk h ASN 107 N 0.66 0.79 -0.30 0.00 2.35 -0.98 -2.18 115.58 115.93 2hpk h ASN 107 Ca 0.30 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.93 2hpk h ASN 107 Cb 0.20 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2hpk h ASN 107 CO -0.19 0.61 -0.07 0.03 -1.65 0.00 0.00 177.43 176.16 2hpk h ARG 108 N 0.90 0.57 -0.42 0.81 2.47 -1.03 -1.19 114.38 116.48 2hpk h ARG 108 Ca 0.24 -0.22 -0.11 0.00 -1.26 0.00 0.00 59.98 58.63 2hpk h ARG 108 Cb -0.04 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.23 2hpk h ARG 108 CO -0.05 0.76 -0.17 -0.24 0.56 0.00 0.00 179.97 180.84 2hpk h VAL 109 N 0.34 1.27 -0.50 2.04 3.04 -1.31 -2.27 116.25 118.85 2hpk h VAL 109 Ca 0.08 -1.27 0.04 0.00 -1.01 0.00 0.00 66.70 64.53 2hpk h VAL 109 Cb 0.55 1.12 -0.04 0.00 -2.01 0.00 0.00 31.29 30.91 2hpk h VAL 109 CO 0.03 0.43 0.27 0.15 -1.01 0.00 0.00 177.57 177.44 2hpk h PHE 110 N 0.71 0.51 -0.90 3.17 3.57 -1.29 0.26 116.94 122.97 2hpk h PHE 110 Ca 0.11 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.65 2hpk h PHE 110 Cb 0.67 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.21 2hpk h PHE 110 CO 0.04 0.27 0.59 0.00 -2.23 0.00 0.00 178.31 176.97 2hpk h ALA 111 N 1.25 1.40 -0.45 2.41 0.00 -1.05 0.52 119.26 123.34 2hpk h ALA 111 Ca 0.21 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 2hpk h ALA 111 Cb 0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2hpk h ALA 111 CO -0.13 0.53 -0.25 1.49 0.00 0.00 0.00 179.25 180.89 2hpk h GLU 112 N 1.16 0.96 -0.54 0.00 4.57 -1.09 -2.24 114.58 117.41 2hpk h GLU 112 Ca 0.34 -0.43 -0.07 0.00 -1.18 0.00 0.00 59.36 58.02 2hpk h GLU 112 Cb -0.05 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 2hpk h GLU 112 CO -0.09 1.10 0.04 0.00 -1.18 0.00 0.00 179.01 178.88 2hpk h ALA 113 N 0.84 1.05 -0.49 2.92 0.00 0.11 -0.69 119.26 123.00 2hpk h ALA 113 Ca 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2hpk h ALA 113 Cb 0.83 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2hpk h ALA 113 CO 0.07 0.60 0.23 0.93 0.00 0.00 0.00 179.25 181.08 2hpk h GLU 114 N 0.84 0.72 -0.80 0.00 4.39 -0.87 -1.23 114.58 117.62 2hpk h GLU 114 Ca 0.17 -0.11 0.03 0.00 0.34 0.00 0.00 59.36 59.79 2hpk h GLU 114 Cb 0.44 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 28.91 2hpk h GLU 114 CO 0.02 0.61 0.51 0.00 -1.16 0.00 0.00 179.01 178.99 2hpk h ARG 115 N 0.65 0.96 -0.54 2.33 3.08 -1.10 -2.18 114.38 117.58 2hpk h ARG 115 Ca 0.17 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 2hpk h ARG 115 Cb 0.14 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 2hpk h ARG 115 CO -0.02 0.64 0.15 1.49 -1.07 0.00 0.00 179.97 181.16 2hpk h GLU 116 N 0.99 0.86 -0.43 0.04 4.57 -1.03 -1.60 114.58 117.98 2hpk h GLU 116 Ca 0.32 -0.20 0.02 0.00 -1.18 0.00 0.00 59.36 58.32 2hpk h GLU 116 Cb 0.02 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 2hpk h GLU 116 CO -0.12 0.80 0.25 0.00 -1.18 0.00 0.00 179.01 178.76 2hpk h ARG 117 N 0.76 0.49 -0.08 1.92 3.08 -0.95 -1.26 114.38 118.34 2hpk h ARG 117 Ca 0.17 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 2hpk h ARG 117 Cb 0.31 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 2hpk h ARG 117 CO -0.00 0.32 0.04 1.49 -1.07 0.00 0.00 179.97 180.76 2hpk h GLU 118 N 0.51 0.11 -0.97 0.04 4.81 -1.29 0.25 114.58 118.04 2hpk h GLU 118 Ca 0.17 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.50 2hpk h GLU 118 Cb 0.01 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.29 2hpk h GLU 118 CO -0.08 0.15 0.60 0.00 -0.73 0.00 0.00 179.01 178.95 2hpk h ARG 119 N 0.04 0.93 0.00 1.92 3.08 -1.16 -1.99 114.38 117.19 2hpk h ARG 119 Ca 0.03 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2hpk h ARG 119 Cb 0.07 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.91 2hpk h ARG 119 CO -0.00 0.61 0.00 0.54 -1.07 0.00 0.00 179.97 180.05 2hpk n ARG 120 N -4.65 0.72 -1.57 0.04 1.74 -0.49 -4.91 116.66 107.55 2hpk n ARG 120 Ca 0.18 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.20 2hpk n ARG 120 Cb 0.35 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.27 2hpk n ARG 120 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hpk n GLY 121 N 1.07 0.58 3.91 -0.13 0.00 -0.42 -5.03 105.19 105.16 2hpk n GLY 121 Ca 0.19 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 2hpk n GLY 121 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hpk s GLU 122 N -3.28 3.59 0.33 1.61 2.02 0.75 -5.01 118.70 118.71 2hpk s GLU 122 Ca 0.00 -0.16 -0.29 0.00 0.02 0.00 0.00 54.97 54.54 2hpk s GLU 122 Cb 0.00 -2.78 -0.11 0.00 0.10 0.00 0.00 34.13 31.34 2hpk s GLU 122 CO 0.00 0.37 1.43 -2.14 0.02 0.00 0.00 175.26 174.93 2hpk s PRO 123 N -3.18 4.22 0.13 0.39 0.02 -1.26 -4.30 135.00 131.01 2hpk s PRO 123 Ca 0.41 2.41 -0.30 0.00 0.02 0.00 0.00 61.00 63.53 2hpk s PRO 123 Cb -0.11 -3.03 -0.07 0.00 0.02 0.00 0.00 34.50 31.31 2hpk s PRO 123 CO 0.28 -0.40 1.17 0.45 -0.33 0.00 0.00 177.00 178.16 2hpk s SER 124 N -0.13 7.14 0.25 2.53 0.15 -1.26 -4.93 113.70 117.46 2hpk s SER 124 Ca 0.53 2.09 0.05 0.00 0.70 0.00 0.00 55.95 59.32 2hpk s SER 124 Cb -0.44 -2.59 0.31 0.00 -1.71 0.00 0.00 66.02 61.59 2hpk s SER 124 CO 0.55 -0.37 1.61 -0.07 1.20 0.00 0.00 173.24 176.16 2hpk h LEU 125 N 5.89 0.29 -0.45 3.45 3.38 -1.96 -0.52 115.31 125.39 2hpk h LEU 125 Ca -0.43 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.35 2hpk h LEU 125 Cb 1.21 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2hpk h LEU 125 CO 0.77 0.77 0.13 0.40 0.09 0.00 0.00 178.44 180.59 2hpk h ILE 126 N 0.21 1.23 -0.75 1.22 2.04 -1.98 -1.28 117.51 118.20 2hpk h ILE 126 Ca 0.01 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 2hpk h ILE 126 Cb 1.00 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 2hpk h ILE 126 CO 0.08 0.28 0.44 0.00 0.00 0.00 0.00 178.15 178.95 2hpk h ALA 127 N 0.98 0.95 -0.50 1.87 0.00 -1.84 -0.45 119.26 120.28 2hpk h ALA 127 Ca 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2hpk h ALA 127 Cb 0.29 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2hpk h ALA 127 CO -0.00 0.43 0.29 -0.07 0.00 0.00 0.00 179.25 179.90 2hpk h LEU 128 N 1.02 0.61 0.18 0.00 3.38 -1.02 -0.89 115.31 118.59 2hpk h LEU 128 Ca 0.27 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.17 2hpk h LEU 128 Cb -0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2hpk h LEU 128 CO -0.05 0.50 -0.20 0.25 0.09 0.00 0.00 178.44 179.03 2hpk h LEU 129 N 0.66 -0.55 -0.14 1.67 5.85 -0.98 -2.10 115.31 119.72 2hpk h LEU 129 Ca 0.18 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.98 2hpk h LEU 129 Cb 0.02 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2hpk h LEU 129 CO -0.03 -0.30 -0.04 -1.28 -0.34 0.00 0.00 178.44 176.45 2hpk h SER 130 N -0.43 -0.14 -0.64 1.25 0.87 -0.96 -2.22 113.55 111.28 2hpk h SER 130 Ca 0.01 0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.65 2hpk h SER 130 Cb 0.41 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.43 2hpk h SER 130 CO -0.06 -0.05 0.42 0.78 -0.53 0.00 0.00 176.83 177.38 2hpk h ASN 131 N -0.01 0.62 -0.61 6.23 2.35 -1.12 0.14 115.58 123.19 2hpk h ASN 131 Ca 0.07 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.72 2hpk h ASN 131 Cb 0.11 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2hpk h ASN 131 CO -0.15 0.42 0.03 0.77 -1.65 0.00 0.00 177.43 176.86 2hpk h SER 132 N 0.72 1.04 -0.54 5.81 4.64 -0.94 -2.78 113.55 121.50 2hpk h SER 132 Ca 0.26 -0.28 -0.11 0.00 -0.47 0.00 0.00 61.79 61.19 2hpk h SER 132 Cb 0.13 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 2hpk h SER 132 CO -0.07 1.07 -0.11 1.88 -0.87 0.00 0.00 176.83 178.73 2hpk h TYR 133 N 0.99 1.14 -0.45 4.77 -1.99 -0.81 -3.20 116.97 117.42 2hpk h TYR 133 Ca 0.18 -0.24 0.09 0.00 2.00 0.00 0.00 58.73 60.76 2hpk h TYR 133 Cb 0.52 -0.28 -0.08 0.00 2.00 0.00 0.00 36.73 38.89 2hpk h TYR 133 CO 0.04 1.06 -0.05 -0.92 -0.00 0.00 0.00 178.16 178.29 2hpk h TYR 134 N 0.90 -0.11 -0.53 4.88 3.20 -0.52 0.20 116.97 124.98 2hpk h TYR 134 Ca 0.14 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 2hpk h TYR 134 Cb 0.68 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 2hpk h TYR 134 CO 0.05 -0.14 0.21 -0.44 -1.64 0.00 0.00 178.16 176.20 2hpk h ASP 135 N 0.06 0.70 0.10 -2.11 3.32 -1.54 -1.46 116.42 115.49 2hpk h ASP 135 Ca 0.22 -0.08 -0.25 0.00 0.02 0.00 0.00 57.03 56.94 2hpk h ASP 135 Cb 0.33 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.72 2hpk h ASP 135 CO -0.41 0.63 -0.97 0.58 -1.72 0.00 0.00 179.24 177.35 2hpk h VAL 136 N 0.76 1.32 -0.34 -1.35 2.07 -1.38 -3.31 116.25 114.02 2hpk h VAL 136 Ca 0.18 -2.27 -0.09 0.00 0.82 0.00 0.00 66.70 65.34 2hpk h VAL 136 Cb 0.15 2.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 2hpk h VAL 136 CO -0.02 0.70 -0.19 -0.07 0.02 0.00 0.00 177.57 178.01 2hpk h LEU 137 N 0.36 0.62 -7.12 2.57 3.38 -0.21 -3.35 115.31 111.56 2hpk h LEU 137 Ca -0.10 -0.20 -0.59 0.00 0.09 0.00 0.00 57.88 57.09 2hpk h LEU 137 Cb 1.61 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.17 2hpk h LEU 137 CO 0.18 0.81 2.13 -0.67 0.09 0.00 0.00 178.44 180.99 2hpk n ASP 138 N -4.14 3.55 0.06 -0.43 2.03 -0.59 -4.67 116.55 112.36 2hpk n ASP 138 Ca 0.00 -2.78 0.13 0.00 0.52 0.00 0.00 54.79 52.67 2hpk n ASP 138 Cb 0.39 -1.55 0.49 0.00 -0.72 0.00 0.00 41.12 39.72 2hpk n ASP 138 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2hpk n ASP 139 N 9.27 0.50 -1.10 1.67 2.03 -1.26 -2.64 116.55 125.03 2hpk n ASP 139 Ca 0.49 0.55 0.11 0.00 0.52 0.00 0.00 54.79 56.46 2hpk n ASP 139 Cb 0.43 -0.68 0.20 0.00 -0.72 0.00 0.00 41.12 40.35 2hpk n ASP 139 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2hpk n ASP 140 N -1.97 3.37 -0.36 1.67 5.68 -1.26 -4.89 116.55 118.79 2hpk n ASP 140 Ca 0.06 -1.97 -0.05 0.00 -0.50 0.00 0.00 54.79 52.33 2hpk n ASP 140 Cb 0.39 -0.22 -0.02 0.00 -1.14 0.00 0.00 41.12 40.13 2hpk n ASP 140 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hpk n GLY 141 N 1.42 0.59 0.10 6.12 0.00 -1.08 -4.86 105.19 107.48 2hpk n GLY 141 Ca 0.18 -0.12 0.15 0.00 0.00 0.00 0.00 46.02 46.24 2hpk n GLY 141 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2hpk n ASP 142 N -0.55 0.31 0.00 1.61 5.75 -1.26 -4.90 116.55 117.52 2hpk n ASP 142 Ca -0.05 -1.02 0.00 0.00 -0.01 0.00 0.00 54.79 53.71 2hpk n ASP 142 Cb 0.38 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 2hpk n ASP 142 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hpk n GLY 143 N 1.07 2.39 3.19 6.12 0.00 -1.26 -5.05 105.19 111.65 2hpk n GLY 143 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 2hpk n GLY 143 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2hpk s THR 144 N -2.43 0.22 -0.27 2.61 -1.32 -1.26 -4.89 115.64 108.30 2hpk s THR 144 Ca 0.00 -1.95 -0.06 0.00 -1.21 0.00 0.00 61.69 58.47 2hpk s THR 144 Cb 0.00 -2.20 -0.01 0.00 -1.51 0.00 0.00 72.50 68.78 2hpk s THR 144 CO 0.00 -0.33 0.05 -0.69 -2.21 0.00 0.00 174.62 171.44 2hpk s VAL 145 N -3.98 3.93 0.73 5.08 1.01 -0.81 -4.68 120.40 121.68 2hpk s VAL 145 Ca 0.28 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 2hpk s VAL 145 Cb 0.07 -2.92 0.13 0.00 0.00 0.00 0.00 36.38 33.66 2hpk s VAL 145 CO 0.05 0.23 1.01 1.51 0.00 0.00 0.00 175.10 177.90 2hpk s ASP 146 N 1.53 4.30 0.30 3.32 1.47 -1.26 -0.09 116.67 126.24 2hpk s ASP 146 Ca 0.04 -0.32 0.06 0.00 1.18 0.00 0.00 52.55 53.51 2hpk s ASP 146 Cb -0.16 -0.05 0.49 0.00 -0.34 0.00 0.00 42.92 42.86 2hpk s ASP 146 CO 0.02 -1.89 1.73 1.62 0.68 0.00 0.00 175.17 177.32 2hpk h VAL 147 N -0.57 1.28 -0.06 2.11 3.04 -1.97 0.12 116.25 120.19 2hpk h VAL 147 Ca -0.37 -1.37 -0.18 0.00 -1.01 0.00 0.00 66.70 63.77 2hpk h VAL 147 Cb 1.27 1.56 -0.01 0.00 -2.01 0.00 0.00 31.29 32.10 2hpk h VAL 147 CO 0.40 0.42 -0.73 0.44 -1.01 0.00 0.00 177.57 177.09 2hpk h ASP 148 N 0.25 0.41 -0.51 3.17 3.32 -1.99 -0.95 116.42 120.12 2hpk h ASP 148 Ca 0.03 -0.27 -0.06 0.00 0.02 0.00 0.00 57.03 56.75 2hpk h ASP 148 Cb 0.73 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 2hpk h ASP 148 CO 0.06 1.00 0.12 -0.33 -1.72 0.00 0.00 179.24 178.36 2hpk h GLU 149 N 0.23 0.89 -0.30 3.56 5.08 -1.80 -2.31 114.58 119.93 2hpk h GLU 149 Ca -0.03 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.07 2hpk h GLU 149 Cb 1.30 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2hpk h GLU 149 CO 0.12 0.81 -0.08 1.25 -1.00 0.00 0.00 179.01 180.11 2hpk h LEU 150 N 0.85 0.48 -1.17 1.33 5.85 -0.38 -2.68 115.31 119.58 2hpk h LEU 150 Ca 0.18 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2hpk h LEU 150 Cb 0.34 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 2hpk h LEU 150 CO 0.00 0.60 0.44 0.11 -0.34 0.00 0.00 178.44 179.26 2hpk h LYS 151 N 0.47 1.01 -5.07 1.25 1.57 -0.64 -3.43 116.57 111.72 2hpk h LYS 151 Ca 0.09 -0.09 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 2hpk h LYS 151 Cb 0.43 -0.21 0.04 0.00 0.08 0.00 0.00 32.23 32.56 2hpk h LYS 151 CO 0.02 0.71 0.68 2.41 -0.57 0.00 0.00 179.45 182.71 2hpk n THR 152 N -4.38 0.41 0.00 -0.16 -1.04 -1.01 -4.61 114.28 103.48 2hpk n THR 152 Ca 0.08 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 2hpk n THR 152 Cb 0.07 -2.05 0.00 0.00 -1.82 0.00 0.00 70.33 66.53 2hpk n THR 152 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2hpk n LYS 155 N 8.04 0.00 -0.11 -2.82 4.81 -1.25 -4.62 118.16 122.21 2hpk n LYS 155 Ca 0.44 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 58.00 2hpk n LYS 155 Cb 0.45 -0.00 0.48 0.00 0.02 0.00 0.00 35.03 35.98 2hpk n LYS 155 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2hpk h ALA 156 N 0.00 1.99 -0.24 3.14 0.00 -1.90 -1.40 119.26 120.85 2hpk h ALA 156 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2hpk h ALA 156 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2hpk h ALA 156 CO 0.00 -0.14 0.00 1.19 0.00 0.00 0.00 179.25 180.30 2hpk n PHE 157 N -4.47 0.31 -2.19 0.00 3.72 -1.26 -4.87 117.46 108.68 2hpk n PHE 157 Ca 0.11 -0.15 -0.14 0.00 -0.05 0.00 0.00 57.45 57.21 2hpk n PHE 157 Cb 0.38 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.91 2hpk n PHE 157 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2hpk n ASP 158 N 0.50 -4.38 -4.63 4.37 2.03 -0.53 -5.02 116.55 108.89 2hpk n ASP 158 Ca 0.16 0.02 -0.31 0.00 0.52 0.00 0.00 54.79 55.18 2hpk n ASP 158 Cb 0.35 -3.50 -0.09 0.00 -0.72 0.00 0.00 41.12 37.16 2hpk n ASP 158 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2hpk s VAL 159 N -2.69 3.74 0.23 5.18 -7.23 -1.26 -5.03 120.40 113.34 2hpk s VAL 159 Ca 0.00 -1.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.86 2hpk s VAL 159 Cb 0.00 -2.73 -0.14 0.00 0.56 0.00 0.00 36.38 34.07 2hpk s VAL 159 CO 0.00 0.20 1.27 -2.65 -0.31 0.00 0.00 175.10 173.61 2hpk n PRO 160 N 0.89 1.66 0.22 4.82 -0.02 -1.26 -3.96 135.00 137.35 2hpk n PRO 160 Ca -0.13 0.59 0.07 0.00 -2.02 0.00 0.00 63.50 62.01 2hpk n PRO 160 Cb 0.52 -2.16 0.52 0.00 -0.02 0.00 0.00 33.50 32.36 2hpk n PRO 160 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2hpk h GLN 161 N 3.60 0.00 0.00 -0.52 4.20 -1.98 -1.94 115.11 118.47 2hpk h GLN 161 Ca -0.44 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.25 2hpk h GLN 161 Cb 1.31 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.08 2hpk h GLN 161 CO 0.71 0.23 -0.09 0.93 -0.67 0.00 0.00 178.83 179.95 2hpk h GLU 162 N 0.00 0.00 0.00 1.46 3.07 -1.95 -1.25 114.58 115.92 2hpk h GLU 162 Ca -0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2hpk h GLU 162 Cb 0.46 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.37 2hpk h GLU 162 CO 0.03 0.09 -0.02 0.00 -1.40 0.00 0.00 179.01 177.71 2hpk h ALA 163 N 1.91 1.24 -0.72 3.43 0.00 -1.71 -1.91 119.26 121.49 2hpk h ALA 163 Ca -0.00 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.03 2hpk h ALA 163 Cb 0.25 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2hpk h ALA 163 CO 0.01 0.02 0.48 0.00 0.00 0.00 0.00 179.25 179.77 2hpk h ALA 164 N 1.98 2.08 0.37 0.00 0.00 -1.40 -1.98 119.26 120.33 2hpk h ALA 164 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2hpk h ALA 164 Cb 0.07 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2hpk h ALA 164 CO 0.00 -0.27 -0.21 1.88 0.00 0.00 0.00 179.25 180.65 2hpk h TYR 165 N 0.42 -0.54 -0.29 0.00 0.05 -1.54 0.48 116.97 115.55 2hpk h TYR 165 Ca 0.35 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 59.19 2hpk h TYR 165 Cb 0.77 0.19 -0.07 0.00 1.01 0.00 0.00 36.73 38.63 2hpk h TYR 165 CO -0.00 -0.33 -0.20 1.15 -1.05 0.00 0.00 178.16 177.73 2hpk h THR 166 N -0.54 0.45 -0.10 -2.88 2.02 -1.61 -1.49 112.91 108.76 2hpk h THR 166 Ca -0.04 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 66.98 2hpk h THR 166 Cb 0.43 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2hpk h THR 166 CO 0.06 0.00 -0.63 -0.26 0.37 0.00 0.00 175.52 175.06 2hpk h PHE 167 N -0.18 0.45 -0.53 3.16 0.04 -1.16 -2.62 116.94 116.11 2hpk h PHE 167 Ca 0.15 -0.18 -0.05 0.00 2.80 0.00 0.00 57.97 60.69 2hpk h PHE 167 Cb 0.41 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 2hpk h PHE 167 CO -0.38 0.88 0.13 0.35 -0.60 0.00 0.00 178.31 178.69 2hpk h PHE 168 N 0.26 0.90 0.03 -0.55 3.57 0.12 -1.17 116.94 120.09 2hpk h PHE 168 Ca -0.01 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.40 2hpk h PHE 168 Cb 1.16 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 2hpk h PHE 168 CO 0.03 0.79 -0.10 1.49 -2.23 0.00 0.00 178.31 178.28 2hpk h GLU 169 N 0.75 -0.19 -0.43 1.11 4.81 -1.13 0.21 114.58 119.72 2hpk h GLU 169 Ca 0.17 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2hpk h GLU 169 Cb 0.34 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 2hpk h GLU 169 CO 0.00 -0.12 0.25 0.87 -0.73 0.00 0.00 179.01 179.28 2hpk h LYS 170 N -0.19 0.59 -0.00 1.92 1.57 -1.39 -3.11 116.57 115.95 2hpk h LYS 170 Ca 0.03 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 2hpk h LYS 170 Cb 0.23 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2hpk h LYS 170 CO -0.08 0.45 -0.68 0.00 -0.57 0.00 0.00 179.45 178.56 2hpk h ALA 171 N 1.11 0.86 -0.55 3.86 0.00 -0.98 -3.39 119.26 120.18 2hpk h ALA 171 Ca 0.15 -0.62 -0.70 0.00 0.00 0.00 0.00 54.91 53.74 2hpk h ALA 171 Cb 0.02 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 2hpk h ALA 171 CO -0.03 0.85 2.54 -3.47 0.00 0.00 0.00 179.25 179.14 2hpk n ASP 172 N -3.74 4.50 0.14 0.00 2.03 0.73 -4.76 116.55 115.46 2hpk n ASP 172 Ca -0.01 -2.91 0.01 0.00 0.52 0.00 0.00 54.79 52.40 2hpk n ASP 172 Cb 0.67 -1.67 0.12 0.00 -0.72 0.00 0.00 41.12 39.52 2hpk n ASP 172 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2hpk h THR 173 N 4.63 1.14 -0.44 5.18 1.35 -1.82 -2.15 112.91 120.80 2hpk h THR 173 Ca 0.49 -2.24 0.00 0.00 -0.55 0.00 0.00 66.41 64.10 2hpk h THR 173 Cb 0.75 2.32 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 2hpk h THR 173 CO 1.65 0.58 0.00 -0.90 -0.25 0.00 0.00 175.52 176.60 2hpk n ASP 174 N -3.44 2.72 -4.12 5.36 5.75 -1.26 -4.94 116.55 116.62 2hpk n ASP 174 Ca 0.00 -2.11 -0.35 0.00 -0.01 0.00 0.00 54.79 52.33 2hpk n ASP 174 Cb 0.69 -0.36 -0.04 0.00 -1.03 0.00 0.00 41.12 40.38 2hpk n ASP 174 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2hpk n LYS 175 N 0.75 -2.44 0.15 0.11 4.01 -0.81 -4.84 118.16 115.08 2hpk n LYS 175 Ca 0.16 0.29 0.13 0.00 -0.51 0.00 0.00 58.31 58.38 2hpk n LYS 175 Cb 0.47 -4.97 0.32 0.00 -0.51 0.00 0.00 35.03 30.33 2hpk n LYS 175 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2hpk h SER 176 N -1.15 0.00 0.00 4.39 4.64 -1.92 -3.47 113.55 116.04 2hpk h SER 176 Ca -0.54 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 2hpk h SER 176 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2hpk h SER 176 CO 0.74 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.31 2hpk n GLY 177 N 1.23 0.66 3.02 -0.77 0.00 -1.26 -5.03 105.19 103.05 2hpk n GLY 177 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 2hpk n GLY 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hpk s LYS 178 N -0.23 0.17 -0.20 1.61 1.02 -1.26 -4.66 119.74 116.19 2hpk s LYS 178 Ca 0.00 0.24 -0.24 0.00 0.02 0.00 0.00 55.97 55.99 2hpk s LYS 178 Cb 0.00 0.05 -0.01 0.00 -0.52 0.00 0.00 37.83 37.35 2hpk s LYS 178 CO 0.00 -0.04 0.78 -0.51 -0.92 0.00 0.00 175.35 174.66 2hpk s LEU 179 N 0.23 4.13 0.60 3.17 1.43 0.87 -4.92 118.68 124.19 2hpk s LEU 179 Ca -0.01 1.04 -0.07 0.00 -1.03 0.00 0.00 54.13 54.06 2hpk s LEU 179 Cb -0.02 -3.13 0.01 0.00 0.03 0.00 0.00 46.19 43.07 2hpk s LEU 179 CO -0.01 -0.41 0.93 -1.61 0.23 0.00 0.00 176.35 175.49 2hpk s GLU 180 N 2.32 2.97 0.21 1.70 8.01 -1.26 -1.92 118.70 130.73 2hpk s GLU 180 Ca 0.35 0.11 -0.09 0.00 0.01 0.00 0.00 54.97 55.34 2hpk s GLU 180 Cb -0.16 -2.23 0.30 0.00 -4.31 0.00 0.00 34.13 27.73 2hpk s GLU 180 CO 0.10 -0.72 1.74 0.00 0.01 0.00 0.00 175.26 176.39 2hpk h ARG 181 N -0.23 0.39 -0.28 1.61 3.08 -1.97 -1.88 114.38 115.09 2hpk h ARG 181 Ca -0.45 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.53 2hpk h ARG 181 Cb 1.25 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 2hpk h ARG 181 CO 0.61 0.26 0.01 1.79 -1.07 0.00 0.00 179.97 181.57 2hpk h THR 182 N 0.40 1.17 -0.52 2.04 1.35 -1.99 -1.56 112.91 113.81 2hpk h THR 182 Ca 0.32 -0.65 -0.11 0.00 -0.55 0.00 0.00 66.41 65.42 2hpk h THR 182 Cb 0.41 0.94 -0.02 0.00 -1.73 0.00 0.00 68.15 67.76 2hpk h THR 182 CO -0.33 0.22 -0.09 -0.33 -0.25 0.00 0.00 175.52 174.75 2hpk h GLU 183 N 0.41 0.97 -0.52 4.72 5.08 -1.67 0.02 114.58 123.59 2hpk h GLU 183 Ca 0.09 -0.36 -0.12 0.00 -1.00 0.00 0.00 59.36 57.98 2hpk h GLU 183 Cb 0.26 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2hpk h GLU 183 CO 0.01 1.03 -0.14 1.25 -1.00 0.00 0.00 179.01 180.15 2hpk h LEU 184 N 0.84 1.03 -0.51 1.33 5.85 -1.15 -1.33 115.31 121.37 2hpk h LEU 184 Ca 0.14 -0.37 0.09 0.00 0.84 0.00 0.00 57.88 58.58 2hpk h LEU 184 Cb 0.65 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.32 2hpk h LEU 184 CO 0.04 1.16 0.09 0.58 -0.34 0.00 0.00 178.44 179.97 2hpk h VAL 185 N 0.89 0.69 -0.38 1.05 2.07 -1.09 0.11 116.25 119.59 2hpk h VAL 185 Ca 0.13 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.64 2hpk h VAL 185 Cb 0.72 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 2hpk h VAL 185 CO 0.06 0.04 0.04 -0.74 0.02 0.00 0.00 177.57 176.99 2hpk h HIS 186 N 0.22 0.06 -0.48 1.57 -0.00 -0.64 0.20 115.15 116.09 2hpk h HIS 186 Ca 0.26 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.65 2hpk h HIS 186 Cb 0.36 0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.77 2hpk h HIS 186 CO -0.24 -0.02 0.29 1.25 -0.00 0.00 0.00 177.93 179.21 2hpk h LEU 187 N 0.16 0.57 -0.13 0.26 5.85 -0.63 -0.99 115.31 120.39 2hpk h LEU 187 Ca 0.18 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.88 2hpk h LEU 187 Cb 0.23 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2hpk h LEU 187 CO -0.27 0.45 -0.05 -0.26 -0.34 0.00 0.00 178.44 177.97 2hpk h PHE 188 N 0.64 -0.11 -0.57 1.25 -1.00 -0.46 -2.29 116.94 114.39 2hpk h PHE 188 Ca 0.17 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.94 2hpk h PHE 188 Cb -0.02 0.07 -0.03 0.00 3.61 0.00 0.00 35.95 39.59 2hpk h PHE 188 CO -0.03 -0.08 0.27 0.00 -1.61 0.00 0.00 178.31 176.85 2hpk h ARG 189 N -0.03 0.82 -0.61 1.51 3.08 -0.22 -0.94 114.38 118.00 2hpk h ARG 189 Ca 0.07 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 2hpk h ARG 189 Cb 0.13 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2hpk h ARG 189 CO -0.15 0.68 0.25 0.87 -1.07 0.00 0.00 179.97 180.54 2hpk h LYS 190 N 0.77 0.92 -0.55 0.04 1.79 -1.22 -2.72 116.57 115.60 2hpk h LYS 190 Ca 0.19 -0.17 0.02 0.00 -2.18 0.00 0.00 60.65 58.51 2hpk h LYS 190 Cb 0.13 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.60 2hpk h LYS 190 CO -0.02 0.78 0.35 0.35 -1.08 0.00 0.00 179.45 179.82 2hpk h PHE 191 N 0.85 0.66 -0.01 -1.35 3.57 -0.79 -3.52 116.94 116.36 2hpk h PHE 191 Ca 0.20 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.72 2hpk h PHE 191 Cb 0.20 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.72 2hpk h PHE 191 CO 0.01 0.40 0.00 0.91 -2.23 0.00 0.00 178.31 177.40