#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hrv h PRO 2 N 0.00 0.19 -0.01 1.61 0.11 -2.04 -2.47 132.00 129.39 2hrv h PRO 2 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2hrv h PRO 2 Cb 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.07 2hrv h PRO 2 CO 0.00 0.13 -0.21 0.43 -0.21 0.00 0.00 178.00 178.13 2hrv n SER 3 N -4.44 1.52 -4.70 -2.05 7.64 -1.26 -4.79 113.62 105.54 2hrv n SER 3 Ca 0.08 -1.26 -0.42 0.00 1.01 0.00 0.00 58.87 58.28 2hrv n SER 3 Cb 0.44 0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.76 2hrv n SER 3 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2hrv s ASP 4 N -2.33 6.88 -0.27 6.43 1.01 -0.93 -4.91 116.67 122.55 2hrv s ASP 4 Ca 0.27 2.17 -0.04 0.00 0.71 0.00 0.00 52.55 55.66 2hrv s ASP 4 Cb 0.19 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.51 2hrv s ASP 4 CO 0.47 -0.65 2.95 0.23 0.21 0.00 0.00 175.17 178.37 2hrv n MET 5 N 4.59 2.14 -3.66 8.23 2.81 -1.26 -4.48 117.12 125.49 2hrv n MET 5 Ca 0.12 -1.70 0.01 0.00 -1.81 0.00 0.00 57.70 54.31 2hrv n MET 5 Cb 0.44 -1.99 -0.00 0.00 -0.71 0.00 0.00 33.22 30.96 2hrv n MET 5 CO 0.00 0.00 0.00 1.52 1.51 0.00 0.00 175.97 179.00 2hrv s TYR 6 N -0.73 -0.05 -0.09 2.03 -0.85 -1.06 -4.49 117.35 112.12 2hrv s TYR 6 Ca 0.56 -0.08 0.02 0.00 -0.52 0.00 0.00 57.07 57.05 2hrv s TYR 6 Cb 0.33 0.56 -0.02 0.00 0.38 0.00 0.00 41.96 43.21 2hrv s TYR 6 CO -0.12 -0.35 -0.16 0.08 -1.52 0.00 0.00 175.55 173.49 2hrv s VAL 7 N -2.50 2.89 -0.30 -3.49 1.01 -0.76 -4.91 120.40 112.35 2hrv s VAL 7 Ca 0.15 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.39 2hrv s VAL 7 Cb 0.04 -2.16 0.09 0.00 0.00 0.00 0.00 36.38 34.35 2hrv s VAL 7 CO -0.03 0.56 0.04 -2.28 0.00 0.00 0.00 175.10 173.40 2hrv s HIS 8 N -0.17 2.56 -0.24 5.22 2.46 -1.26 -0.56 115.29 123.29 2hrv s HIS 8 Ca -0.01 -2.16 -0.02 0.00 0.47 0.00 0.00 55.06 53.35 2hrv s HIS 8 Cb -0.13 -2.08 0.02 0.00 -0.13 0.00 0.00 32.58 30.25 2hrv s HIS 8 CO 0.03 -0.87 -0.07 0.08 -2.47 0.00 0.00 174.74 171.45 2hrv s VAL 9 N 1.33 2.93 0.00 0.89 1.01 -0.18 -1.07 120.40 125.30 2hrv s VAL 9 Ca 0.06 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.14 2hrv s VAL 9 Cb -0.18 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.76 2hrv s VAL 9 CO -0.15 0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.84 2hrv n GLY 10 N 4.70 3.51 1.90 4.51 0.00 -1.14 -0.87 105.19 117.80 2hrv n GLY 10 Ca -0.17 -0.03 -0.00 0.00 0.00 0.00 0.00 46.02 45.82 2hrv n GLY 10 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hrv n ASN 11 N 4.83 5.07 -4.45 1.61 4.13 -1.26 -0.59 115.26 124.60 2hrv n ASN 11 Ca 0.00 -3.03 -0.33 0.00 1.68 0.00 0.00 54.58 52.90 2hrv n ASN 11 Cb 0.00 -0.71 -0.13 0.00 -1.54 0.00 0.00 39.78 37.40 2hrv n ASN 11 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2hrv s LEU 12 N -2.72 2.86 -0.15 3.41 1.43 -0.05 -0.29 118.68 123.17 2hrv s LEU 12 Ca 0.52 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.40 2hrv s LEU 12 Cb 0.41 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.99 2hrv s LEU 12 CO 0.14 0.25 -0.12 -0.63 0.23 0.00 0.00 176.35 176.22 2hrv s ILE 13 N -0.17 3.05 -0.21 -0.59 -1.09 -0.29 -1.02 121.20 120.89 2hrv s ILE 13 Ca 0.01 -0.65 -0.06 0.00 -2.23 0.00 0.00 60.65 57.71 2hrv s ILE 13 Cb -0.13 -2.30 -0.03 0.00 -1.58 0.00 0.00 42.46 38.42 2hrv s ILE 13 CO 0.03 0.51 0.04 -0.31 -1.23 0.00 0.00 174.94 173.98 2hrv s TYR 14 N 0.59 3.11 0.22 3.97 1.51 0.27 -1.63 117.35 125.39 2hrv s TYR 14 Ca -0.07 -0.28 -0.03 0.00 -1.01 0.00 0.00 57.07 55.67 2hrv s TYR 14 Cb -0.15 -2.13 -0.03 0.00 -0.11 0.00 0.00 41.96 39.54 2hrv s TYR 14 CO 0.03 -0.15 0.24 1.03 -1.11 0.00 0.00 175.55 175.59 2hrv s ARG 15 N 0.99 1.35 0.02 -0.62 0.52 -0.47 -1.82 118.95 118.91 2hrv s ARG 15 Ca 0.03 -1.56 -0.30 0.00 -0.52 0.00 0.00 55.73 53.37 2hrv s ARG 15 Cb -0.14 0.33 -0.05 0.00 0.52 0.00 0.00 34.95 35.61 2hrv s ARG 15 CO 0.02 -0.48 1.23 -0.80 0.02 0.00 0.00 175.30 175.29 2hrv s ASN 16 N -3.14 7.04 0.20 0.23 -0.87 -1.26 -1.64 114.94 115.49 2hrv s ASN 16 Ca 0.35 1.97 -0.11 0.00 -1.57 0.00 0.00 52.86 53.50 2hrv s ASN 16 Cb 0.05 -2.57 0.20 0.00 -0.02 0.00 0.00 41.25 38.91 2hrv s ASN 16 CO 0.13 -0.54 1.80 0.25 -2.57 0.00 0.00 177.10 176.16 2hrv h LEU 17 N 7.45 0.47 -0.01 0.60 5.85 -1.03 -1.98 115.31 126.66 2hrv h LEU 17 Ca -0.39 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2hrv h LEU 17 Cb 1.19 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2hrv h LEU 17 CO 0.85 0.31 0.00 0.00 -0.34 0.00 0.00 178.44 179.26 2hrv n HIS 18 N -4.83 0.01 0.33 1.25 1.44 -1.26 -0.80 115.22 111.36 2hrv n HIS 18 Ca 0.07 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.83 2hrv n HIS 18 Cb 0.16 -0.50 0.06 0.00 0.12 0.00 0.00 29.99 29.83 2hrv n HIS 18 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2hrv n LEU 19 N -1.51 2.09 0.00 2.39 4.77 -0.76 -4.84 117.00 119.14 2hrv n LEU 19 Ca 0.01 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.80 2hrv n LEU 19 Cb 0.03 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2hrv n LEU 19 CO 0.03 0.43 0.00 0.33 -1.33 0.00 0.00 177.39 176.85 2hrv n PHE 20 N 0.59 0.00 -0.02 -1.77 -0.00 0.02 -4.92 117.46 111.36 2hrv n PHE 20 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.52 2hrv n PHE 20 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.78 2hrv n PHE 20 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 2hrv n ASN 21 N 0.00 0.00 -0.02 -2.13 0.23 -0.92 -4.58 115.26 107.84 2hrv n ASN 21 Ca 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 53.98 2hrv n ASN 21 Cb 0.00 -0.14 -0.06 0.00 -2.08 0.00 0.00 39.78 37.50 2hrv n ASN 21 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2hrv h SER 22 N 0.00 -0.06 -0.43 0.53 0.02 -1.91 -3.29 113.55 108.40 2hrv h SER 22 Ca 0.00 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2hrv h SER 22 Cb 0.00 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2hrv h SER 22 CO 0.00 0.60 0.00 -0.62 -1.14 0.00 0.00 176.83 175.67 2hrv n GLU 23 N -4.78 3.39 -0.38 3.45 4.71 -1.26 -4.61 120.64 121.15 2hrv n GLU 23 Ca -0.05 -2.13 0.33 0.00 -0.01 0.00 0.00 57.16 55.30 2hrv n GLU 23 Cb 0.23 -1.90 0.55 0.00 -1.01 0.00 0.00 31.44 29.31 2hrv n GLU 23 CO 0.00 0.00 0.00 -0.12 0.09 0.00 0.00 177.13 177.10 2hrv n MET 24 N 0.57 -0.03 0.00 3.49 1.56 -1.24 0.18 117.12 121.64 2hrv n MET 24 Ca 0.19 1.00 0.08 0.00 -0.27 0.00 0.00 57.70 58.70 2hrv n MET 24 Cb 0.81 -1.99 0.39 0.00 2.15 0.00 0.00 33.22 34.58 2hrv n MET 24 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 2hrv n HIS 25 N -4.28 0.00 0.66 1.12 8.25 -1.26 -2.07 115.22 117.64 2hrv n HIS 25 Ca 0.33 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.86 2hrv n HIS 25 Cb 1.27 -0.33 0.02 0.00 1.12 0.00 0.00 29.99 32.07 2hrv n HIS 25 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2hrv n GLU 26 N -1.33 1.55 -1.22 -0.41 1.02 0.46 -5.01 120.64 115.70 2hrv n GLU 26 Ca 0.07 -1.01 -0.29 0.00 -0.02 0.00 0.00 57.16 55.91 2hrv n GLU 26 Cb 0.14 -1.26 0.16 0.00 -0.02 0.00 0.00 31.44 30.46 2hrv n GLU 26 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2hrv s SER 27 N -1.62 2.92 -0.13 1.62 1.04 -0.88 -4.76 113.70 111.89 2hrv s SER 27 Ca 0.15 1.24 0.14 0.00 0.48 0.00 0.00 55.95 57.95 2hrv s SER 27 Cb 0.12 -1.90 -0.20 0.00 0.10 0.00 0.00 66.02 64.15 2hrv s SER 27 CO 0.31 -2.95 0.10 0.00 0.98 0.00 0.00 173.24 171.68 2hrv n ILE 28 N -4.06 0.86 -3.73 -1.02 0.13 0.59 -4.98 119.36 107.14 2hrv n ILE 28 Ca 0.06 -0.59 -0.13 0.00 -1.10 0.00 0.00 62.75 60.99 2hrv n ILE 28 Cb 0.57 -0.48 -0.10 0.00 -0.84 0.00 0.00 39.64 38.79 2hrv n ILE 28 CO 0.00 0.00 0.00 -0.22 2.80 0.00 0.00 176.55 179.13 2hrv s LEU 29 N -4.94 0.37 -0.03 9.51 2.96 -0.88 -4.99 118.68 120.67 2hrv s LEU 29 Ca -0.07 0.81 0.02 0.00 -0.22 0.00 0.00 54.13 54.66 2hrv s LEU 29 Cb 0.05 1.34 0.01 0.00 0.50 0.00 0.00 46.19 48.09 2hrv s LEU 29 CO 0.63 -0.15 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.76 2hrv s VAL 30 N 0.48 0.59 -0.36 1.68 1.01 -1.26 -0.43 120.40 122.10 2hrv s VAL 30 Ca -0.02 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.77 2hrv s VAL 30 Cb -0.04 -0.56 0.10 0.00 0.00 0.00 0.00 36.38 35.88 2hrv s VAL 30 CO -0.02 0.21 0.09 -0.55 0.00 0.00 0.00 175.10 174.82 2hrv s SER 31 N 0.46 4.55 0.22 3.32 0.15 -0.21 -4.98 113.70 117.20 2hrv s SER 31 Ca -0.06 -2.18 -0.09 0.00 0.70 0.00 0.00 55.95 54.32 2hrv s SER 31 Cb -0.10 -1.47 0.18 0.00 -1.71 0.00 0.00 66.02 62.91 2hrv s SER 31 CO 0.00 -0.37 1.86 1.88 1.20 0.00 0.00 173.24 177.82 2hrv h TYR 32 N 7.54 1.08 0.00 3.44 0.05 -1.98 -2.20 116.97 124.90 2hrv h TYR 32 Ca -0.06 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.72 2hrv h TYR 32 Cb 1.00 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 38.39 2hrv h TYR 32 CO 0.45 0.72 0.00 -1.13 -1.05 0.00 0.00 178.16 177.15 2hrv n SER 33 N -4.45 0.53 -0.09 3.88 3.41 -1.26 -2.88 113.62 112.76 2hrv n SER 33 Ca 0.08 0.66 0.01 0.00 -0.26 0.00 0.00 58.87 59.36 2hrv n SER 33 Cb 0.06 -0.76 0.02 0.00 -0.26 0.00 0.00 64.21 63.27 2hrv n SER 33 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2hrv n SER 34 N -2.12 2.02 -2.79 4.04 7.64 -0.87 -1.06 113.62 120.48 2hrv n SER 34 Ca 0.01 -1.90 -0.20 0.00 1.01 0.00 0.00 58.87 57.79 2hrv n SER 34 Cb 0.16 -0.03 0.01 0.00 -1.01 0.00 0.00 64.21 63.34 2hrv n SER 34 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2hrv n ASP 35 N -0.31 -5.34 -4.37 6.43 2.03 -0.95 -4.88 116.55 109.16 2hrv n ASP 35 Ca 0.02 -0.14 -0.32 0.00 0.52 0.00 0.00 54.79 54.87 2hrv n ASP 35 Cb 0.25 -4.40 -0.15 0.00 -0.72 0.00 0.00 41.12 36.10 2hrv n ASP 35 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2hrv s LEU 36 N -6.28 2.36 0.02 -2.67 2.96 -1.01 -0.47 118.68 113.58 2hrv s LEU 36 Ca 0.17 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 2hrv s LEU 36 Cb -0.08 -1.45 -0.01 0.00 0.50 0.00 0.00 46.19 45.15 2hrv s LEU 36 CO 0.22 0.30 -0.06 -0.51 -1.32 0.00 0.00 176.35 174.97 2hrv s ILE 37 N -0.47 0.45 -0.03 6.68 2.07 -0.65 -1.04 121.20 128.21 2hrv s ILE 37 Ca 0.06 -0.60 0.03 0.00 -1.41 0.00 0.00 60.65 58.73 2hrv s ILE 37 Cb -0.12 -0.45 0.00 0.00 0.13 0.00 0.00 42.46 42.02 2hrv s ILE 37 CO 0.01 -0.11 -0.11 -0.63 -1.91 0.00 0.00 174.94 172.19 2hrv s ILE 38 N -0.68 0.93 0.06 2.00 1.01 0.42 -1.36 121.20 123.58 2hrv s ILE 38 Ca -0.03 -0.45 -0.08 0.00 0.00 0.00 0.00 60.65 60.09 2hrv s ILE 38 Cb -0.06 -0.81 -0.00 0.00 0.01 0.00 0.00 42.46 41.60 2hrv s ILE 38 CO 0.00 0.28 0.16 -0.72 0.00 0.00 0.00 174.94 174.66 2hrv s TYR 39 N 0.10 0.16 0.37 3.97 -0.85 -0.64 -0.30 117.35 120.15 2hrv s TYR 39 Ca -0.02 -0.51 -0.25 0.00 -0.52 0.00 0.00 57.07 55.76 2hrv s TYR 39 Cb -0.09 -0.09 -0.09 0.00 0.38 0.00 0.00 41.96 42.07 2hrv s TYR 39 CO 0.01 -0.46 1.06 1.03 -1.52 0.00 0.00 175.55 175.66 2hrv s ARG 40 N -3.25 4.28 0.18 -3.49 1.81 -1.26 -1.14 118.95 116.09 2hrv s ARG 40 Ca 0.00 1.58 0.04 0.00 -1.72 0.00 0.00 55.73 55.64 2hrv s ARG 40 Cb 0.02 -2.70 -0.05 0.00 -0.45 0.00 0.00 34.95 31.77 2hrv s ARG 40 CO -0.08 -0.05 -0.07 -0.08 -0.68 0.00 0.00 175.30 174.35 2hrv s THR 41 N -1.53 1.15 -1.21 0.02 -1.32 0.60 -4.89 115.64 108.46 2hrv s THR 41 Ca 0.54 -2.06 0.26 0.00 -1.21 0.00 0.00 61.69 59.22 2hrv s THR 41 Cb -0.24 -2.06 0.10 0.00 -1.51 0.00 0.00 72.50 68.79 2hrv s THR 41 CO 0.31 -0.57 1.49 -0.46 -2.21 0.00 0.00 174.62 173.18 2hrv n ASN 42 N -0.30 0.60 -4.67 8.08 6.94 -1.26 -4.79 115.26 119.86 2hrv n ASN 42 Ca -0.08 -0.38 -0.23 0.00 -0.02 0.00 0.00 54.58 53.87 2hrv n ASN 42 Cb 0.62 0.17 -0.07 0.00 -2.36 0.00 0.00 39.78 38.14 2hrv n ASN 42 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2hrv s THR 43 N -2.86 3.20 -0.20 5.53 -4.23 -1.26 -5.12 115.64 110.70 2hrv s THR 43 Ca 0.15 -1.86 -0.10 0.00 -1.18 0.00 0.00 61.69 58.70 2hrv s THR 43 Cb 0.18 -2.87 -0.05 0.00 1.34 0.00 0.00 72.50 71.10 2hrv s THR 43 CO 0.64 -0.29 0.13 -0.69 -0.54 0.00 0.00 174.62 173.87 2hrv s VAL 44 N -2.38 5.40 0.30 2.29 1.01 -1.26 -4.47 120.40 121.28 2hrv s VAL 44 Ca 0.34 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.53 2hrv s VAL 44 Cb -0.04 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 2hrv s VAL 44 CO 0.21 0.44 0.47 -0.83 0.00 0.00 0.00 175.10 175.38 2hrv s GLY 45 N 0.36 1.30 -0.02 4.51 0.00 0.24 -4.92 107.32 108.79 2hrv s GLY 45 Ca 0.08 -1.04 0.13 0.00 0.00 0.00 0.00 44.72 43.89 2hrv s GLY 45 CO -0.02 -1.01 1.33 2.09 0.00 0.00 0.00 173.10 175.49 2hrv n ASP 46 N -1.61 3.26 -4.83 1.64 5.68 -1.16 -2.87 116.55 116.66 2hrv n ASP 46 Ca -0.06 -2.11 -0.30 0.00 -0.50 0.00 0.00 54.79 51.81 2hrv n ASP 46 Cb 0.56 -0.31 0.07 0.00 -1.14 0.00 0.00 41.12 40.29 2hrv n ASP 46 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 2hrv s ASP 47 N -1.08 5.04 -0.06 -1.12 1.01 -0.24 -5.02 116.67 115.21 2hrv s ASP 47 Ca 0.30 1.33 -0.02 0.00 0.71 0.00 0.00 52.55 54.87 2hrv s ASP 47 Cb 0.17 -2.13 0.04 0.00 1.01 0.00 0.00 42.92 42.00 2hrv s ASP 47 CO 0.18 -1.62 0.11 -0.47 0.21 0.00 0.00 175.17 173.58 2hrv s TYR 48 N -3.19 -0.08 -0.32 4.23 5.04 -1.26 -4.42 117.35 117.35 2hrv s TYR 48 Ca 0.59 0.41 -0.13 0.00 -2.44 0.00 0.00 57.07 55.50 2hrv s TYR 48 Cb -0.13 -0.26 -0.03 0.00 0.35 0.00 0.00 41.96 41.89 2hrv s TYR 48 CO 0.54 -0.19 0.26 0.42 -1.34 0.00 0.00 175.55 175.23 2hrv s ILE 49 N 1.76 5.26 0.67 3.14 1.01 -1.26 -0.78 121.20 131.01 2hrv s ILE 49 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 60.65 60.53 2hrv s ILE 49 Cb -0.12 -3.68 0.15 0.00 0.01 0.00 0.00 42.46 38.82 2hrv s ILE 49 CO -0.05 0.06 0.92 -0.81 0.00 0.00 0.00 174.94 175.06 2hrv n PRO 50 N 5.16 -0.82 -2.54 2.79 -0.04 -1.25 -4.98 135.00 133.31 2hrv n PRO 50 Ca -0.12 -1.49 -0.11 0.00 -0.04 0.00 0.00 63.50 61.74 2hrv n PRO 50 Cb 0.50 -0.92 0.03 0.00 -0.04 0.00 0.00 33.50 33.08 2hrv n PRO 50 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2hrv n SER 51 N -3.55 2.80 -2.57 3.54 3.41 -1.26 -4.66 113.62 111.34 2hrv n SER 51 Ca 0.12 -2.78 -0.05 0.00 -0.26 0.00 0.00 58.87 55.90 2hrv n SER 51 Cb 0.41 -0.45 0.02 0.00 -0.26 0.00 0.00 64.21 63.93 2hrv n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hrv n ASP 53 N -2.94 1.72 -4.53 0.00 5.75 -1.26 -5.07 116.55 110.23 2hrv n ASP 53 Ca 0.04 -2.87 -0.39 0.00 -0.01 0.00 0.00 54.79 51.56 2hrv n ASP 53 Cb 0.13 -0.38 0.03 0.00 -1.03 0.00 0.00 41.12 39.87 2hrv n ASP 53 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2hrv n THR 55 N -1.31 0.00 -2.63 0.00 -2.24 -1.26 -4.96 114.28 101.88 2hrv n THR 55 Ca 0.12 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.47 2hrv n THR 55 Cb 0.44 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 2hrv n THR 55 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2hrv s GLN 56 N -1.48 3.47 0.07 -0.78 0.74 -1.26 -0.83 119.66 119.59 2hrv s GLN 56 Ca 0.00 0.14 0.01 0.00 0.05 0.00 0.00 55.36 55.55 2hrv s GLN 56 Cb 0.00 -4.02 -0.00 0.00 1.10 0.00 0.00 33.01 30.08 2hrv s GLN 56 CO 0.00 -1.65 0.02 0.00 -0.55 0.00 0.00 175.29 173.11 2hrv n ALA 57 N 8.26 0.09 -3.55 1.58 0.00 0.11 -4.46 120.51 122.54 2hrv n ALA 57 Ca 0.07 -0.36 -0.15 0.00 0.00 0.00 0.00 53.44 53.00 2hrv n ALA 57 Cb 0.49 0.23 -0.07 0.00 0.00 0.00 0.00 19.45 20.10 2hrv n ALA 57 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2hrv s THR 58 N -1.69 0.00 0.05 0.00 -1.32 -0.28 -0.79 115.64 111.60 2hrv s THR 58 Ca 0.03 -0.02 -0.05 0.00 -1.21 0.00 0.00 61.69 60.44 2hrv s THR 58 Cb 0.00 -0.96 -0.02 0.00 -1.51 0.00 0.00 72.50 70.02 2hrv s THR 58 CO 0.02 -0.01 0.07 -0.72 -2.21 0.00 0.00 174.62 171.77 2hrv s TYR 59 N -0.27 0.26 -0.16 9.09 1.13 -0.59 -0.12 117.35 126.69 2hrv s TYR 59 Ca -0.05 -0.63 -0.22 0.00 -1.41 0.00 0.00 57.07 54.76 2hrv s TYR 59 Cb -0.03 -0.19 -0.03 0.00 -1.10 0.00 0.00 41.96 40.62 2hrv s TYR 59 CO 0.04 -0.38 0.69 -0.47 -2.51 0.00 0.00 175.55 172.92 2hrv s TYR 60 N -2.96 3.44 -0.43 -3.49 5.04 -0.29 -1.52 117.35 117.14 2hrv s TYR 60 Ca -0.02 1.08 -0.08 0.00 -2.44 0.00 0.00 57.07 55.61 2hrv s TYR 60 Cb 0.01 -2.84 0.10 0.00 0.35 0.00 0.00 41.96 39.57 2hrv s TYR 60 CO -0.06 -0.12 0.26 0.00 -1.34 0.00 0.00 175.55 174.29 2hrv h LYS 62 N 8.33 0.22 0.00 0.00 1.63 -1.85 0.14 116.57 125.04 2hrv h LYS 62 Ca -0.20 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.58 2hrv h LYS 62 Cb 1.07 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.65 2hrv h LYS 62 CO 0.77 0.14 -0.01 1.12 -3.45 0.00 0.00 179.45 178.02 2hrv h HIS 63 N 0.22 0.00 -0.01 1.91 2.07 -1.91 -0.81 115.15 116.63 2hrv h HIS 63 Ca 0.24 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.76 2hrv h HIS 63 Cb 0.31 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.29 2hrv h HIS 63 CO -0.22 0.01 -0.68 1.63 -3.07 0.00 0.00 177.93 175.60 2hrv n LYS 64 N -3.13 0.85 -4.08 5.12 4.76 -0.92 -4.99 118.16 115.78 2hrv n LYS 64 Ca -0.01 -0.53 -0.32 0.00 -2.87 0.00 0.00 58.31 54.58 2hrv n LYS 64 Cb 0.23 -1.45 -0.01 0.00 -1.84 0.00 0.00 35.03 31.96 2hrv n LYS 64 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2hrv n ASN 65 N -0.69 -2.70 -3.78 4.39 5.15 0.45 -4.95 115.26 113.14 2hrv n ASN 65 Ca 0.07 -0.96 -0.09 0.00 -0.60 0.00 0.00 54.58 52.99 2hrv n ASN 65 Cb 0.39 -3.08 -0.03 0.00 -0.53 0.00 0.00 39.78 36.53 2hrv n ASN 65 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2hrv s ARG 66 N -6.75 1.53 0.27 1.20 1.70 -1.08 -5.00 118.95 110.81 2hrv s ARG 66 Ca 0.50 -0.91 -0.08 0.00 -0.47 0.00 0.00 55.73 54.77 2hrv s ARG 66 Cb -0.27 0.55 -0.06 0.00 -0.57 0.00 0.00 34.95 34.60 2hrv s ARG 66 CO 0.90 -0.67 0.58 0.71 -1.08 0.00 0.00 175.30 175.74 2hrv s TYR 67 N -3.89 3.45 -0.03 5.89 1.51 -1.26 -1.49 117.35 121.52 2hrv s TYR 67 Ca 0.11 0.82 0.02 0.00 -1.01 0.00 0.00 57.07 57.01 2hrv s TYR 67 Cb -0.03 -2.23 0.01 0.00 -0.11 0.00 0.00 41.96 39.60 2hrv s TYR 67 CO 0.01 0.19 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.52 2hrv s PHE 68 N -1.97 0.75 0.59 2.71 0.40 -0.58 -4.96 117.98 114.93 2hrv s PHE 68 Ca 0.47 -0.18 -0.17 0.00 -0.60 0.00 0.00 56.93 56.45 2hrv s PHE 68 Cb -0.11 -0.57 -0.04 0.00 0.51 0.00 0.00 43.02 42.81 2hrv s PHE 68 CO 0.25 -0.10 1.07 -1.25 0.70 0.00 0.00 175.22 175.89 2hrv s PRO 69 N 0.34 3.29 -0.24 0.24 0.04 -1.26 -1.54 135.00 135.86 2hrv s PRO 69 Ca -0.05 1.30 -0.24 0.00 0.04 0.00 0.00 61.00 62.05 2hrv s PRO 69 Cb -0.09 -2.02 0.07 0.00 0.04 0.00 0.00 34.50 32.50 2hrv s PRO 69 CO 0.00 -0.85 0.68 -1.50 0.04 0.00 0.00 177.00 175.37 2hrv s ILE 70 N -2.30 0.00 -0.28 0.56 2.07 0.03 -4.87 121.20 116.41 2hrv s ILE 70 Ca 0.66 -0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.79 2hrv s ILE 70 Cb -0.18 -0.95 -0.04 0.00 0.13 0.00 0.00 42.46 41.42 2hrv s ILE 70 CO 0.34 -0.00 0.15 -0.89 -1.91 0.00 0.00 174.94 172.64 2hrv s THR 71 N 0.24 4.95 0.15 4.00 2.01 -1.26 0.09 115.64 125.83 2hrv s THR 71 Ca -0.01 -0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.04 2hrv s THR 71 Cb -0.04 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 2hrv s THR 71 CO 0.02 0.25 0.12 0.68 -0.69 0.00 0.00 174.62 174.99 2hrv s VAL 72 N 1.70 4.42 -0.07 3.82 -7.23 -0.01 -4.39 120.40 118.64 2hrv s VAL 72 Ca 0.07 -1.07 0.05 0.00 -1.81 0.00 0.00 61.98 59.21 2hrv s VAL 72 Cb -0.16 -3.24 -0.01 0.00 0.56 0.00 0.00 36.38 33.54 2hrv s VAL 72 CO 0.08 -0.08 -0.24 -0.89 -0.31 0.00 0.00 175.10 173.67 2hrv s THR 73 N -1.70 1.98 0.48 5.32 2.01 0.86 -4.68 115.64 119.91 2hrv s THR 73 Ca 0.30 -1.01 -0.21 0.00 0.31 0.00 0.00 61.69 61.09 2hrv s THR 73 Cb -0.10 -1.69 -0.08 0.00 0.01 0.00 0.00 72.50 70.63 2hrv s THR 73 CO 0.23 0.55 1.06 -0.44 -0.69 0.00 0.00 174.62 175.33 2hrv s SER 74 N 0.05 6.30 -0.17 3.53 0.01 -1.26 -1.67 113.70 120.49 2hrv s SER 74 Ca -0.09 2.02 -0.04 0.00 1.31 0.00 0.00 55.95 59.14 2hrv s SER 74 Cb -0.15 -2.57 0.08 0.00 0.21 0.00 0.00 66.02 63.59 2hrv s SER 74 CO 0.05 -0.81 0.27 -1.00 0.41 0.00 0.00 173.24 172.17 2hrv s HIS 75 N -1.85 -0.45 0.27 2.43 3.76 -0.57 -4.94 115.29 113.93 2hrv s HIS 75 Ca 0.66 0.74 -0.00 0.00 -0.15 0.00 0.00 55.06 56.31 2hrv s HIS 75 Cb -0.20 -0.12 0.52 0.00 1.11 0.00 0.00 32.58 33.90 2hrv s HIS 75 CO 0.23 -0.49 1.82 -0.44 -0.85 0.00 0.00 174.74 175.02 2hrv h ASP 76 N 8.28 0.83 -5.08 1.40 3.32 -1.94 -1.35 116.42 121.88 2hrv h ASP 76 Ca -0.16 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 2hrv h ASP 76 Cb 1.13 -0.11 -0.11 0.00 0.22 0.00 0.00 39.33 40.46 2hrv h ASP 76 CO 0.20 0.44 -0.00 -1.66 -1.72 0.00 0.00 179.24 176.49 2hrv s TRP 77 N -5.97 -0.17 -0.11 4.55 1.48 -1.26 -0.23 118.94 117.23 2hrv s TRP 77 Ca -0.12 -0.15 -0.30 0.00 -1.06 0.00 0.00 56.10 54.47 2hrv s TRP 77 Cb 0.22 0.35 0.11 0.00 -1.16 0.00 0.00 33.47 32.98 2hrv s TRP 77 CO 0.80 -0.83 0.91 -0.47 -4.06 0.00 0.00 176.95 173.31 2hrv s TYR 78 N -3.84 -0.42 0.39 1.66 5.04 -0.39 -4.98 117.35 114.80 2hrv s TYR 78 Ca 0.06 0.66 -0.26 0.00 -2.44 0.00 0.00 57.07 55.09 2hrv s TYR 78 Cb 0.00 0.46 -0.09 0.00 0.35 0.00 0.00 41.96 42.68 2hrv s TYR 78 CO -0.07 -0.43 1.18 -2.00 -1.34 0.00 0.00 175.55 172.88 2hrv s GLU 79 N -1.48 4.12 -0.08 4.97 2.56 -1.26 -1.38 118.70 126.15 2hrv s GLU 79 Ca -0.02 1.87 -0.01 0.00 0.00 0.00 0.00 54.97 56.81 2hrv s GLU 79 Cb -0.00 -2.74 0.03 0.00 2.00 0.00 0.00 34.13 33.41 2hrv s GLU 79 CO 0.01 -0.27 -0.03 0.42 -0.56 0.00 0.00 175.26 174.83 2hrv s ILE 80 N -1.38 0.59 0.63 -3.70 -1.09 0.11 -4.89 121.20 111.47 2hrv s ILE 80 Ca 0.56 -0.04 -0.17 0.00 -2.23 0.00 0.00 60.65 58.76 2hrv s ILE 80 Cb -0.31 -0.68 -0.02 0.00 -1.58 0.00 0.00 42.46 39.87 2hrv s ILE 80 CO 0.40 0.28 1.16 -1.10 -1.23 0.00 0.00 174.94 174.45 2hrv s GLN 81 N 1.66 2.85 0.95 2.79 -1.52 -1.26 -1.42 119.66 123.71 2hrv s GLN 81 Ca 0.01 1.65 -0.13 0.00 -1.95 0.00 0.00 55.36 54.94 2hrv s GLN 81 Cb -0.13 -1.93 0.02 0.00 -0.22 0.00 0.00 33.01 30.74 2hrv s GLN 81 CO -0.05 -1.26 0.30 -0.85 -0.25 0.00 0.00 175.29 173.19 2hrv n GLU 82 N -1.97 -0.24 0.00 2.91 0.28 -1.26 -4.63 120.64 115.73 2hrv n GLU 82 Ca 0.12 -0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 2hrv n GLU 82 Cb 0.51 -1.78 0.00 0.00 1.43 0.00 0.00 31.44 31.60 2hrv n GLU 82 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2hrv n SER 83 N -0.86 0.00 0.04 -1.84 3.41 0.28 -4.87 113.62 109.78 2hrv n SER 83 Ca 0.06 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.79 2hrv n SER 83 Cb 0.54 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.73 2hrv n SER 83 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2hrv n GLU 84 N 0.00 0.18 0.00 4.33 1.02 -1.26 -4.27 120.64 120.63 2hrv n GLU 84 Ca 0.00 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2hrv n GLU 84 Cb 0.00 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 2hrv n GLU 84 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 2hrv n TYR 85 N -1.89 0.00 -4.07 -0.32 0.18 -1.26 -5.05 117.16 104.76 2hrv n TYR 85 Ca 0.04 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.65 2hrv n TYR 85 Cb 0.40 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 39.20 2hrv n TYR 85 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 2hrv s TYR 86 N -1.85 0.49 0.90 -3.48 2.02 -1.26 -5.08 117.35 109.09 2hrv s TYR 86 Ca 0.00 -0.09 -0.14 0.00 -0.37 0.00 0.00 57.07 56.47 2hrv s TYR 86 Cb 0.00 -0.46 0.15 0.00 -0.40 0.00 0.00 41.96 41.25 2hrv s TYR 86 CO 0.00 -0.11 1.26 -1.25 -1.57 0.00 0.00 175.55 173.87 2hrv s PRO 87 N 0.67 1.18 0.09 -1.71 0.04 -1.26 0.10 135.00 134.11 2hrv s PRO 87 Ca -0.08 -0.18 -0.36 0.00 0.04 0.00 0.00 61.00 60.42 2hrv s PRO 87 Cb -0.11 -1.89 -0.17 0.00 0.04 0.00 0.00 34.50 32.38 2hrv s PRO 87 CO -0.01 -2.09 1.28 1.63 0.04 0.00 0.00 177.00 177.85 2hrv n LYS 88 N -3.59 1.04 -3.65 4.56 5.02 -1.26 -4.39 118.16 115.89 2hrv n LYS 88 Ca 0.12 0.37 -0.07 0.00 -2.02 0.00 0.00 58.31 56.72 2hrv n LYS 88 Cb 0.60 -1.97 -0.02 0.00 -0.02 0.00 0.00 35.03 33.62 2hrv n LYS 88 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 2hrv s HIS 89 N 0.31 -0.27 -0.09 2.13 -3.43 -0.51 -4.90 115.29 108.55 2hrv s HIS 89 Ca 0.83 -0.00 -0.13 0.00 -0.80 0.00 0.00 55.06 54.96 2hrv s HIS 89 Cb -0.97 0.61 -0.05 0.00 -1.43 0.00 0.00 32.58 30.75 2hrv s HIS 89 CO 0.49 -0.82 0.31 0.42 -2.00 0.00 0.00 174.74 173.14 2hrv s ILE 90 N -3.42 5.24 0.14 -5.38 -1.09 -1.26 0.04 121.20 115.47 2hrv s ILE 90 Ca 0.08 0.60 0.09 0.00 -2.23 0.00 0.00 60.65 59.19 2hrv s ILE 90 Cb -0.02 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.20 2hrv s ILE 90 CO -0.03 0.51 -0.20 -1.58 -1.23 0.00 0.00 174.94 172.42 2hrv s GLN 91 N -0.47 1.22 0.29 2.79 0.74 -0.48 -4.95 119.66 118.81 2hrv s GLN 91 Ca 0.19 -1.31 0.11 0.00 0.05 0.00 0.00 55.36 54.40 2hrv s GLN 91 Cb -0.14 -1.38 -0.05 0.00 1.10 0.00 0.00 33.01 32.53 2hrv s GLN 91 CO 0.08 0.30 -0.11 0.71 -0.55 0.00 0.00 175.29 175.72 2hrv s TYR 92 N -1.65 2.45 -1.03 1.67 1.51 -0.22 -1.26 117.35 118.81 2hrv s TYR 92 Ca 0.12 -0.33 -0.03 0.00 -1.01 0.00 0.00 57.07 55.82 2hrv s TYR 92 Cb -0.08 -1.15 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 2hrv s TYR 92 CO 0.06 0.65 0.88 0.09 -1.11 0.00 0.00 175.55 176.11 2hrv n ASN 93 N -0.76 -4.41 -4.78 2.29 3.02 0.68 -4.45 115.26 106.85 2hrv n ASN 93 Ca -0.05 -0.62 -0.22 0.00 -0.03 0.00 0.00 54.58 53.66 2hrv n ASN 93 Cb 0.60 -4.80 -0.05 0.00 -0.61 0.00 0.00 39.78 34.92 2hrv n ASN 93 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2hrv s LEU 94 N -5.55 3.60 -0.05 3.41 1.43 -0.51 -0.35 118.68 120.66 2hrv s LEU 94 Ca 0.24 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 2hrv s LEU 94 Cb -0.03 -2.14 0.02 0.00 0.03 0.00 0.00 46.19 44.07 2hrv s LEU 94 CO 0.68 -0.09 -0.07 -0.76 0.23 0.00 0.00 176.35 176.34 2hrv s LEU 95 N -3.82 1.45 0.07 1.79 1.43 -0.14 -1.52 118.68 117.93 2hrv s LEU 95 Ca 0.34 -0.18 0.05 0.00 -1.03 0.00 0.00 54.13 53.31 2hrv s LEU 95 Cb -0.07 -0.57 -0.03 0.00 0.03 0.00 0.00 46.19 45.56 2hrv s LEU 95 CO 0.24 -0.02 -0.14 -0.63 0.23 0.00 0.00 176.35 176.02 2hrv s ILE 96 N 0.81 1.13 0.19 -0.59 1.01 -0.67 -0.23 121.20 122.86 2hrv s ILE 96 Ca -0.13 -1.28 -0.23 0.00 0.00 0.00 0.00 60.65 59.01 2hrv s ILE 96 Cb -0.15 -1.08 0.07 0.00 0.01 0.00 0.00 42.46 41.31 2hrv s ILE 96 CO 0.01 -0.20 0.98 -0.83 0.00 0.00 0.00 174.94 174.90 2hrv s GLY 97 N -1.69 -0.02 0.03 6.18 0.00 -1.07 -0.09 107.32 110.66 2hrv s GLY 97 Ca -0.01 -0.17 -0.20 0.00 0.00 0.00 0.00 44.72 44.33 2hrv s GLY 97 CO 0.02 1.02 0.59 -0.54 0.00 0.00 0.00 173.10 174.19 2hrv s GLU 98 N -2.70 4.27 0.00 2.90 2.02 -1.26 -1.45 118.70 122.48 2hrv s GLU 98 Ca 0.17 0.74 0.00 0.00 0.02 0.00 0.00 54.97 55.89 2hrv s GLU 98 Cb -0.02 -3.30 0.00 0.00 0.10 0.00 0.00 34.13 30.91 2hrv s GLU 98 CO 0.05 0.48 0.00 0.41 0.02 0.00 0.00 175.26 176.22 2hrv n GLY 99 N 2.15 2.08 3.77 -1.39 0.00 0.63 -4.83 105.19 107.60 2hrv n GLY 99 Ca -0.08 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 2hrv n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hrv s PRO 100 N -2.00 3.01 -0.28 1.61 0.04 -1.26 -3.52 135.00 132.60 2hrv s PRO 100 Ca 0.00 1.45 -0.20 0.00 0.04 0.00 0.00 61.00 62.28 2hrv s PRO 100 Cb 0.00 -1.97 0.10 0.00 0.04 0.00 0.00 34.50 32.67 2hrv s PRO 100 CO 0.00 -1.09 0.85 0.00 0.04 0.00 0.00 177.00 176.79 2hrv s GLU 102 N 0.93 0.65 0.19 0.00 0.41 -1.26 -4.89 118.70 114.73 2hrv s GLU 102 Ca -0.04 -1.06 -0.32 0.00 -0.41 0.00 0.00 54.97 53.14 2hrv s GLU 102 Cb -0.05 0.24 -0.16 0.00 -1.78 0.00 0.00 34.13 32.39 2hrv s GLU 102 CO -0.11 -0.15 1.08 -2.30 -0.49 0.00 0.00 175.26 173.29 2hrv n PRO 103 N 0.23 1.08 -0.01 0.39 -0.02 -1.26 -1.27 135.00 134.14 2hrv n PRO 103 Ca -0.15 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2hrv n PRO 103 Cb 0.61 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 2hrv n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hrv n GLY 104 N 1.83 0.21 0.06 -1.23 0.00 -1.26 -4.94 105.19 99.86 2hrv n GLY 104 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 2hrv n GLY 104 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hrv n ASP 105 N 0.00 0.61 -4.77 1.61 9.92 -0.40 -4.86 116.55 118.66 2hrv n ASP 105 Ca 0.00 0.35 -0.40 0.00 -0.53 0.00 0.00 54.79 54.20 2hrv n ASP 105 Cb 0.00 -0.36 0.01 0.00 -0.64 0.00 0.00 41.12 40.13 2hrv n ASP 105 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2hrv n GLY 107 N 0.52 3.40 3.70 0.00 0.00 -0.34 -4.90 105.19 107.58 2hrv n GLY 107 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2hrv n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hrv n GLY 108 N -1.83 0.85 3.77 -0.02 0.00 -1.01 -2.55 105.19 104.40 2hrv n GLY 108 Ca 0.00 0.41 -0.38 0.00 0.00 0.00 0.00 46.02 46.06 2hrv n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hrv s LYS 109 N -1.06 4.65 -0.18 1.61 1.02 -1.26 -1.07 119.74 123.45 2hrv s LYS 109 Ca 0.62 1.38 -0.00 0.00 0.02 0.00 0.00 55.97 57.99 2hrv s LYS 109 Cb -0.58 -2.92 0.01 0.00 -0.52 0.00 0.00 37.83 33.82 2hrv s LYS 109 CO 0.55 0.33 -0.15 -1.17 -0.92 0.00 0.00 175.35 173.99 2hrv s LEU 110 N -1.83 2.41 0.12 3.17 2.96 0.01 -1.13 118.68 124.38 2hrv s LEU 110 Ca 0.48 -0.53 0.07 0.00 -0.22 0.00 0.00 54.13 53.93 2hrv s LEU 110 Cb -0.21 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 2hrv s LEU 110 CO 0.26 0.03 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.39 2hrv s LEU 111 N 1.15 2.37 0.00 -0.68 1.02 0.82 -0.66 118.68 122.71 2hrv s LEU 111 Ca 0.01 -0.77 0.01 0.00 0.02 0.00 0.00 54.13 53.41 2hrv s LEU 111 Cb -0.14 -0.69 0.01 0.00 0.02 0.00 0.00 46.19 45.39 2hrv s LEU 111 CO -0.06 -0.06 0.12 0.00 0.02 0.00 0.00 176.35 176.37 2hrv h LYS 113 N 0.00 0.00 0.00 0.00 2.10 -1.99 -2.89 116.57 113.79 2hrv h LYS 113 Ca -0.26 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.15 2hrv h LYS 113 Cb 0.84 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.13 2hrv h LYS 113 CO 0.42 0.01 -1.48 0.45 -2.00 0.00 0.00 179.45 176.85 2hrv h HIS 114 N 0.00 0.00 0.00 0.07 3.86 -1.97 -3.51 115.15 113.61 2hrv h HIS 114 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2hrv h HIS 114 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 2hrv h HIS 114 CO 0.00 0.88 0.00 0.41 0.86 0.00 0.00 177.93 180.08 2hrv n GLY 115 N 1.47 -0.53 3.72 2.45 0.00 -1.09 -4.75 105.19 106.46 2hrv n GLY 115 Ca -0.12 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.64 2hrv n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hrv s VAL 116 N -3.38 5.08 -0.06 1.61 1.01 0.04 -1.24 120.40 123.47 2hrv s VAL 116 Ca 0.00 1.24 0.01 0.00 0.00 0.00 0.00 61.98 63.23 2hrv s VAL 116 Cb 0.00 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 2hrv s VAL 116 CO 0.00 0.30 0.12 2.30 0.00 0.00 0.00 175.10 177.82 2hrv n ILE 117 N 3.60 0.00 -3.80 2.22 -5.35 0.17 -3.92 119.36 112.28 2hrv n ILE 117 Ca -0.04 -0.48 -0.03 0.00 -0.27 0.00 0.00 62.75 61.93 2hrv n ILE 117 Cb 0.51 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.42 2hrv n ILE 117 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2hrv s GLY 118 N -0.92 -0.11 0.01 3.28 0.00 -1.02 -0.11 107.32 108.45 2hrv s GLY 118 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.72 2hrv s GLY 118 CO 0.03 1.09 -0.02 -0.26 0.00 0.00 0.00 173.10 173.94 2hrv s ILE 119 N -2.71 0.14 0.19 0.90 -4.36 -1.19 -0.81 121.20 113.36 2hrv s ILE 119 Ca 0.17 -0.31 -0.33 0.00 -0.26 0.00 0.00 60.65 59.92 2hrv s ILE 119 Cb -0.01 -0.17 -0.14 0.00 1.25 0.00 0.00 42.46 43.39 2hrv s ILE 119 CO 0.03 -0.11 1.53 0.52 0.24 0.00 0.00 174.94 177.15 2hrv n VAL 120 N 2.63 0.31 0.00 8.37 0.31 -0.23 -0.84 118.33 128.88 2hrv n VAL 120 Ca -0.15 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 2hrv n VAL 120 Cb 0.58 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 2hrv n VAL 120 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 2hrv n THR 121 N 2.93 0.00 -3.45 2.52 5.66 0.06 -1.20 114.28 120.81 2hrv n THR 121 Ca 0.15 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.02 2hrv n THR 121 Cb 0.30 0.23 -0.03 0.00 -1.55 0.00 0.00 70.33 69.28 2hrv n THR 121 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2hrv s ALA 122 N -1.26 -1.66 -0.05 1.79 0.00 -1.09 -4.99 121.76 114.51 2hrv s ALA 122 Ca 0.00 0.72 -0.02 0.00 0.00 0.00 0.00 51.96 52.66 2hrv s ALA 122 Cb 0.00 0.64 0.03 0.00 0.00 0.00 0.00 23.12 23.79 2hrv s ALA 122 CO 0.00 -0.67 0.11 0.20 0.00 0.00 0.00 175.76 175.39 2hrv s GLY 123 N -2.37 0.01 0.00 0.00 0.00 -1.26 -0.13 107.32 103.56 2hrv s GLY 123 Ca -0.01 0.54 0.00 0.00 0.00 0.00 0.00 44.72 45.25 2hrv s GLY 123 CO -0.08 0.87 0.00 0.61 0.00 0.00 0.00 173.10 174.50 2hrv n GLY 124 N 4.16 2.71 3.48 0.20 0.00 -0.34 -5.00 105.19 110.40 2hrv n GLY 124 Ca -0.27 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 2hrv n GLY 124 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2hrv s ASP 125 N -0.05 5.99 0.00 1.61 -4.77 -1.26 -4.37 116.67 113.82 2hrv s ASP 125 Ca 0.00 -0.68 0.00 0.00 -3.30 0.00 0.00 52.55 48.57 2hrv s ASP 125 Cb 0.00 -2.12 0.00 0.00 -1.09 0.00 0.00 42.92 39.71 2hrv s ASP 125 CO 0.00 -0.33 0.00 0.59 0.70 0.00 0.00 175.17 176.13 2hrv n ASN 126 N 5.10 0.00 -4.34 2.11 3.02 -1.26 -4.95 115.26 114.94 2hrv n ASN 126 Ca -0.12 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.20 2hrv n ASN 126 Cb 0.48 -1.49 -0.12 0.00 -0.61 0.00 0.00 39.78 38.05 2hrv n ASN 126 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2hrv s HIS 127 N -2.03 1.91 -0.01 3.10 3.76 -1.23 -0.27 115.29 120.51 2hrv s HIS 127 Ca 0.00 -0.44 0.03 0.00 -0.15 0.00 0.00 55.06 54.50 2hrv s HIS 127 Cb 0.00 -0.97 -0.01 0.00 1.11 0.00 0.00 32.58 32.72 2hrv s HIS 127 CO 0.00 0.34 -0.10 0.54 -0.85 0.00 0.00 174.74 174.67 2hrv s VAL 128 N -1.81 0.79 0.04 -0.90 0.11 -0.53 -1.20 120.40 116.91 2hrv s VAL 128 Ca 0.15 -0.42 0.05 0.00 -2.93 0.00 0.00 61.98 58.83 2hrv s VAL 128 Cb -0.07 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 34.08 2hrv s VAL 128 CO 0.07 0.23 -0.10 0.00 -3.33 0.00 0.00 175.10 171.97 2hrv s ALA 129 N -0.16 2.92 0.09 1.54 0.00 0.81 -2.59 121.76 124.37 2hrv s ALA 129 Ca 0.03 -1.12 0.05 0.00 0.00 0.00 0.00 51.96 50.92 2hrv s ALA 129 Cb -0.05 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 2hrv s ALA 129 CO -0.00 0.62 -0.12 -0.06 0.00 0.00 0.00 175.76 176.19 2hrv s PHE 130 N -1.05 1.19 0.02 0.00 0.40 0.68 -0.76 117.98 118.46 2hrv s PHE 130 Ca 0.18 -0.56 -0.30 0.00 -0.60 0.00 0.00 56.93 55.65 2hrv s PHE 130 Cb -0.11 -0.65 -0.04 0.00 0.51 0.00 0.00 43.02 42.74 2hrv s PHE 130 CO 0.09 0.06 0.99 0.42 0.70 0.00 0.00 175.22 177.48 2hrv s ILE 131 N -1.97 4.78 -0.54 0.64 1.01 -0.02 -0.97 121.20 124.12 2hrv s ILE 131 Ca 0.04 2.03 -0.26 0.00 0.00 0.00 0.00 60.65 62.46 2hrv s ILE 131 Cb -0.06 -4.30 0.04 0.00 0.01 0.00 0.00 42.46 38.15 2hrv s ILE 131 CO 0.02 0.18 1.02 -0.62 0.00 0.00 0.00 174.94 175.53 2hrv s ASP 132 N 0.88 6.41 0.46 3.58 -1.08 0.52 -3.16 116.67 124.29 2hrv s ASP 132 Ca 0.52 -0.10 0.27 0.00 -0.52 0.00 0.00 52.55 52.71 2hrv s ASP 132 Cb -0.22 -2.48 0.74 0.00 -1.46 0.00 0.00 42.92 39.51 2hrv s ASP 132 CO 0.28 -1.27 1.75 -0.07 0.52 0.00 0.00 175.17 176.38 2hrv h LEU 133 N 11.19 0.00 -2.44 -1.34 3.38 -0.83 -3.07 115.31 122.20 2hrv h LEU 133 Ca -0.25 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.73 2hrv h LEU 133 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 2hrv h LEU 133 CO 1.11 0.00 0.03 0.03 0.09 0.00 0.00 178.44 179.70 2hrv h ARG 134 N 0.00 0.00 0.00 1.13 3.08 -1.83 0.16 114.38 116.92 2hrv h ARG 134 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2hrv h ARG 134 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 2hrv h ARG 134 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.62 2hrv n HIS 135 N -3.83 0.00 -2.00 3.04 8.25 -1.16 -3.63 115.22 115.89 2hrv n HIS 135 Ca -0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.42 2hrv n HIS 135 Cb 0.12 -0.18 0.11 0.00 1.12 0.00 0.00 29.99 31.16 2hrv n HIS 135 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2hrv n PHE 136 N -1.18 0.72 -3.77 4.41 3.72 0.04 -5.02 117.46 116.38 2hrv n PHE 136 Ca 0.16 -1.51 -0.13 0.00 -0.05 0.00 0.00 57.45 55.92 2hrv n PHE 136 Cb 0.17 -0.25 -0.11 0.00 -0.94 0.00 0.00 39.48 38.36 2hrv n PHE 136 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 2hrv s HIS 137 N -2.70 -0.32 0.16 1.38 2.46 -1.24 -5.11 115.29 109.92 2hrv s HIS 137 Ca 0.39 0.76 -0.30 0.00 0.47 0.00 0.00 55.06 56.39 2hrv s HIS 137 Cb 0.38 0.11 -0.07 0.00 -0.13 0.00 0.00 32.58 32.87 2hrv s HIS 137 CO -0.06 -0.20 0.94 0.00 -2.47 0.00 0.00 174.74 172.95