#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hii s GLN 2 N 0.00 2.59 -0.23 -0.52 0.74 -1.26 -5.10 119.66 115.88 1hii s GLN 2 Ca 0.00 -0.90 -0.04 0.00 0.05 0.00 0.00 55.36 54.47 1hii s GLN 2 Cb 0.00 -2.18 -0.00 0.00 1.10 0.00 0.00 33.01 31.92 1hii s GLN 2 CO 0.00 0.37 -0.02 -0.06 -0.55 0.00 0.00 175.29 175.03 1hii s PHE 3 N -0.14 3.00 -0.23 1.67 0.40 -1.26 -4.99 117.98 116.43 1hii s PHE 3 Ca -0.04 -0.97 0.28 0.00 -0.60 0.00 0.00 56.93 55.60 1hii s PHE 3 Cb -0.14 -2.13 0.95 0.00 0.51 0.00 0.00 43.02 42.21 1hii s PHE 3 CO 0.04 -0.56 1.81 0.66 0.70 0.00 0.00 175.22 177.88 1hii h SER 4 N 8.13 0.00 0.00 1.36 4.64 -1.99 -3.47 113.55 122.21 1hii h SER 4 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1hii h SER 4 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1hii h SER 4 CO 0.60 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.74 1hii n LEU 5 N -2.89 0.12 0.22 5.97 4.77 -1.26 -4.86 117.00 119.07 1hii n LEU 5 Ca 0.02 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.09 1hii n LEU 5 Cb 0.37 -0.51 0.47 0.00 -2.33 0.00 0.00 43.42 41.42 1hii n LEU 5 CO 0.28 -0.09 0.80 -0.50 -1.33 0.00 0.00 177.39 176.55 1hii h TRP 6 N 0.00 0.00 -2.38 -1.77 4.06 -2.03 -3.43 115.95 110.39 1hii h TRP 6 Ca 0.00 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.40 1hii h TRP 6 Cb 0.07 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.09 1hii h TRP 6 CO 0.04 0.25 -0.71 0.15 -3.56 0.00 0.00 178.44 174.61 1hii s LYS 7 N -3.73 1.62 0.17 0.49 -0.14 -1.26 -5.10 119.74 111.79 1hii s LYS 7 Ca -0.00 -1.79 -0.32 0.00 -1.36 0.00 0.00 55.97 52.51 1hii s LYS 7 Cb 0.11 -1.46 -0.11 0.00 -1.68 0.00 0.00 37.83 34.69 1hii s LYS 7 CO 0.64 0.17 1.78 0.54 -0.76 0.00 0.00 175.35 177.72 1hii n ARG 8 N -0.61 2.79 -2.27 1.68 1.74 -1.26 -4.88 116.66 113.85 1hii n ARG 8 Ca -0.06 1.01 -0.34 0.00 -0.77 0.00 0.00 57.85 57.70 1hii n ARG 8 Cb 0.62 -2.88 -0.04 0.00 -1.02 0.00 0.00 32.46 29.14 1hii n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1hii s PRO 9 N 1.89 3.08 -0.12 5.56 0.04 -1.26 -4.94 135.00 139.24 1hii s PRO 9 Ca 0.78 -1.30 -0.02 0.00 0.04 0.00 0.00 61.00 60.50 1hii s PRO 9 Cb -0.49 -5.32 -0.03 0.00 0.04 0.00 0.00 34.50 28.70 1hii s PRO 9 CO 0.34 -3.19 -0.05 0.08 0.04 0.00 0.00 177.00 174.23 1hii s VAL 10 N 8.19 3.85 0.25 -0.36 1.01 -1.26 -0.96 120.40 131.12 1hii s VAL 10 Ca 0.62 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.22 1hii s VAL 10 Cb 0.00 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1hii s VAL 10 CO 0.07 0.53 0.13 0.68 0.00 0.00 0.00 175.10 176.52 1hii s VAL 11 N -0.08 0.26 -0.18 2.92 -7.23 -0.53 -4.96 120.40 110.60 1hii s VAL 11 Ca 0.02 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.07 1hii s VAL 11 Cb -0.13 -2.55 -0.05 0.00 0.56 0.00 0.00 36.38 34.21 1hii s VAL 11 CO 0.03 0.00 0.21 -0.89 -0.31 0.00 0.00 175.10 174.14 1hii s THR 12 N -3.86 5.36 0.21 5.32 2.01 -1.26 -0.70 115.64 122.72 1hii s THR 12 Ca 0.38 0.37 0.09 0.00 0.31 0.00 0.00 61.69 62.85 1hii s THR 12 Cb 0.07 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 1hii s THR 12 CO 0.15 0.42 -0.18 0.00 -0.69 0.00 0.00 174.62 174.31 1hii s ALA 13 N 0.38 2.26 -0.22 7.40 0.00 0.12 -4.52 121.76 127.18 1hii s ALA 13 Ca 0.12 -1.67 0.01 0.00 0.00 0.00 0.00 51.96 50.43 1hii s ALA 13 Cb -0.12 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.85 1hii s ALA 13 CO 0.01 0.21 -0.14 0.71 0.00 0.00 0.00 175.76 176.55 1hii s TYR 14 N -2.44 3.00 -0.40 0.00 1.51 0.71 0.38 117.35 120.10 1hii s TYR 14 Ca 0.22 -1.81 -0.06 0.00 -1.01 0.00 0.00 57.07 54.41 1hii s TYR 14 Cb -0.04 -1.96 0.09 0.00 -0.11 0.00 0.00 41.96 39.94 1hii s TYR 14 CO 0.09 -0.81 0.21 0.42 -1.11 0.00 0.00 175.55 174.36 1hii s ILE 15 N 1.25 3.73 -1.38 2.71 1.01 -0.46 -0.21 121.20 127.85 1hii s ILE 15 Ca -0.00 -1.67 -0.08 0.00 0.00 0.00 0.00 60.65 58.90 1hii s ILE 15 Cb -0.16 -3.37 0.03 0.00 0.01 0.00 0.00 42.46 38.96 1hii s ILE 15 CO -0.08 -0.54 1.08 -0.62 0.00 0.00 0.00 174.94 174.77 1hii n GLU 16 N 4.76 -6.97 0.00 2.79 -0.58 -0.48 -1.79 120.64 118.38 1hii n GLU 16 Ca -0.07 0.76 0.00 0.00 -0.42 0.00 0.00 57.16 57.42 1hii n GLU 16 Cb 0.42 -5.73 0.00 0.00 -0.57 0.00 0.00 31.44 25.56 1hii n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1hii n GLY 17 N -1.78 3.11 3.66 0.62 0.00 -1.26 -5.01 105.19 104.53 1hii n GLY 17 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1hii n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hii s GLN 18 N -0.31 4.25 0.14 1.61 -0.21 -0.74 -4.95 119.66 119.45 1hii s GLN 18 Ca 0.00 1.15 -0.31 0.00 0.02 0.00 0.00 55.36 56.22 1hii s GLN 18 Cb 0.00 -3.63 -0.08 0.00 1.00 0.00 0.00 33.01 30.31 1hii s GLN 18 CO 0.00 -0.52 1.34 -2.14 -2.12 0.00 0.00 175.29 171.85 1hii s PRO 19 N 2.82 4.36 -0.02 2.91 0.02 -1.26 -1.35 135.00 142.48 1hii s PRO 19 Ca 0.40 2.03 -0.07 0.00 0.02 0.00 0.00 61.00 63.38 1hii s PRO 19 Cb -0.16 -3.24 0.01 0.00 0.02 0.00 0.00 34.50 31.14 1hii s PRO 19 CO 0.08 -0.34 0.16 0.54 -0.33 0.00 0.00 177.00 177.11 1hii s VAL 20 N 0.70 0.05 -0.23 3.83 0.11 0.16 -4.96 120.40 120.06 1hii s VAL 20 Ca 0.61 -0.42 -0.15 0.00 -2.93 0.00 0.00 61.98 59.09 1hii s VAL 20 Cb -0.36 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 1hii s VAL 20 CO 0.33 -0.23 0.35 -0.70 -3.33 0.00 0.00 175.10 171.52 1hii s GLU 21 N -0.82 4.11 0.15 1.54 2.56 -1.26 0.15 118.70 125.12 1hii s GLU 21 Ca -0.09 0.08 0.08 0.00 0.00 0.00 0.00 54.97 55.04 1hii s GLU 21 Cb -0.05 -3.58 -0.04 0.00 2.00 0.00 0.00 34.13 32.46 1hii s GLU 21 CO 0.01 -0.10 -0.19 0.14 -0.56 0.00 0.00 175.26 174.57 1hii s VAL 22 N 1.52 1.77 -0.19 3.70 -7.23 0.13 -4.31 120.40 115.77 1hii s VAL 22 Ca 0.16 -1.82 -0.13 0.00 -1.81 0.00 0.00 61.98 58.38 1hii s VAL 22 Cb -0.15 -1.76 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 1hii s VAL 22 CO 0.08 -0.26 0.25 -0.22 -0.31 0.00 0.00 175.10 174.64 1hii s LEU 23 N -2.49 4.19 -0.46 1.32 2.96 0.13 -1.46 118.68 122.87 1hii s LEU 23 Ca 0.13 0.37 -0.28 0.00 -0.22 0.00 0.00 54.13 54.13 1hii s LEU 23 Cb -0.07 -2.29 0.03 0.00 0.50 0.00 0.00 46.19 44.37 1hii s LEU 23 CO 0.06 0.07 1.05 -0.76 -1.32 0.00 0.00 176.35 175.45 1hii s LEU 24 N 0.74 3.79 -0.28 -0.68 1.43 -0.14 -1.51 118.68 122.04 1hii s LEU 24 Ca 0.13 0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.60 1hii s LEU 24 Cb -0.13 -3.41 0.05 0.00 0.03 0.00 0.00 46.19 42.74 1hii s LEU 24 CO 0.04 -1.15 -0.06 -0.62 0.23 0.00 0.00 176.35 174.78 1hii s ASP 25 N 2.34 4.64 0.34 2.29 -1.08 -0.41 -4.81 116.67 119.98 1hii s ASP 25 Ca 0.43 -1.33 0.26 0.00 -0.52 0.00 0.00 52.55 51.39 1hii s ASP 25 Cb -0.09 -1.62 0.85 0.00 -1.46 0.00 0.00 42.92 40.60 1hii s ASP 25 CO 0.29 -0.22 1.76 0.71 0.52 0.00 0.00 175.17 178.23 1hii h THR 26 N 6.63 0.00 -0.55 1.71 1.35 -1.93 -3.06 112.91 117.06 1hii h THR 26 Ca -0.20 -0.54 -0.05 0.00 -0.55 0.00 0.00 66.41 65.07 1hii h THR 26 Cb 1.05 1.47 -0.03 0.00 -1.73 0.00 0.00 68.15 68.91 1hii h THR 26 CO 0.49 0.00 0.06 0.61 -0.25 0.00 0.00 175.52 176.44 1hii n GLY 27 N 0.70 2.97 3.11 5.82 0.00 -1.26 -4.82 105.19 111.71 1hii n GLY 27 Ca 0.03 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 1hii n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hii s ALA 28 N -2.60 1.74 0.16 4.61 0.00 -1.15 -5.01 121.76 119.50 1hii s ALA 28 Ca 0.48 -0.72 -0.03 0.00 0.00 0.00 0.00 51.96 51.69 1hii s ALA 28 Cb 0.37 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1hii s ALA 28 CO 0.14 0.13 1.39 -0.44 0.00 0.00 0.00 175.76 176.98 1hii h ASP 29 N 6.99 0.54 -1.03 0.00 3.32 -1.89 0.12 116.42 124.49 1hii h ASP 29 Ca -0.27 -0.37 -0.62 0.00 0.02 0.00 0.00 57.03 55.79 1hii h ASP 29 Cb 1.20 -0.16 -0.10 0.00 0.22 0.00 0.00 39.33 40.49 1hii h ASP 29 CO 0.48 1.13 -0.49 -1.81 -1.72 0.00 0.00 179.24 176.83 1hii s ASP 30 N -7.01 4.24 -0.12 6.45 1.01 -1.26 -3.32 116.67 116.66 1hii s ASP 30 Ca -0.06 -1.36 -0.00 0.00 0.71 0.00 0.00 52.55 51.83 1hii s ASP 30 Cb 0.10 0.02 -0.02 0.00 1.01 0.00 0.00 42.92 44.03 1hii s ASP 30 CO 0.85 -0.72 -0.12 -0.44 0.21 0.00 0.00 175.17 174.96 1hii s SER 31 N -3.91 4.13 -0.03 0.27 0.01 -1.26 -2.70 113.70 110.20 1hii s SER 31 Ca 0.27 -0.28 0.01 0.00 1.31 0.00 0.00 55.95 57.26 1hii s SER 31 Cb 0.03 -1.53 0.02 0.00 0.21 0.00 0.00 66.02 64.75 1hii s SER 31 CO 0.15 0.19 -0.04 -0.51 0.41 0.00 0.00 173.24 173.44 1hii s ILE 32 N 0.20 0.50 0.04 1.44 2.07 -0.19 -1.29 121.20 123.96 1hii s ILE 32 Ca -0.07 -0.13 0.05 0.00 -1.41 0.00 0.00 60.65 59.08 1hii s ILE 32 Cb -0.15 -0.51 -0.02 0.00 0.13 0.00 0.00 42.46 41.91 1hii s ILE 32 CO 0.05 0.20 -0.14 -0.69 -1.91 0.00 0.00 174.94 172.45 1hii s VAL 33 N 0.70 1.11 0.21 4.00 1.01 1.00 -0.80 120.40 127.63 1hii s VAL 33 Ca -0.09 -1.01 0.09 0.00 0.00 0.00 0.00 61.98 60.97 1hii s VAL 33 Cb -0.12 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 1hii s VAL 33 CO 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 175.10 175.07 1hii s ALA 34 N -0.87 3.12 -0.01 5.51 0.00 -1.26 -2.16 121.76 126.11 1hii s ALA 34 Ca 0.01 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.47 1hii s ALA 34 Cb -0.08 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.19 1hii s ALA 34 CO 0.01 0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.57 1hii n GLY 35 N -0.39 0.39 3.33 0.00 0.00 -1.26 -5.02 105.19 102.24 1hii n GLY 35 Ca -0.09 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 1hii n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1hii s ILE 36 N -1.77 1.96 -0.22 -0.61 -4.36 -1.26 -5.12 121.20 109.83 1hii s ILE 36 Ca 0.00 -1.57 -0.08 0.00 -0.26 0.00 0.00 60.65 58.74 1hii s ILE 36 Cb 0.00 -1.74 -0.04 0.00 1.25 0.00 0.00 42.46 41.93 1hii s ILE 36 CO 0.00 0.08 0.09 -0.70 0.24 0.00 0.00 174.94 174.65 1hii s GLU 37 N -1.81 3.92 0.00 0.37 2.56 -1.26 -4.97 118.70 117.51 1hii s GLU 37 Ca 0.10 -0.36 0.04 0.00 0.00 0.00 0.00 54.97 54.75 1hii s GLU 37 Cb -0.10 -3.34 0.01 0.00 2.00 0.00 0.00 34.13 32.71 1hii s GLU 37 CO 0.04 0.09 0.51 1.28 -0.56 0.00 0.00 175.26 176.62 1hii n LEU 38 N 4.12 1.04 0.00 2.70 4.77 -1.26 -5.13 117.00 123.25 1hii n LEU 38 Ca -0.16 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 1hii n LEU 38 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1hii n LEU 38 CO 0.34 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1hii n GLY 39 N 0.44 -1.22 0.05 -0.72 0.00 -1.26 -4.73 105.19 97.74 1hii n GLY 39 Ca 0.02 -2.10 0.10 0.00 0.00 0.00 0.00 46.02 44.05 1hii n GLY 39 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1hii n ASN 40 N 0.00 1.05 -3.79 1.61 4.05 -1.26 -4.70 115.26 112.22 1hii n ASN 40 Ca 0.00 -0.96 -0.42 0.00 0.45 0.00 0.00 54.58 53.64 1hii n ASN 40 Cb 0.00 0.85 0.00 0.00 1.23 0.00 0.00 39.78 41.86 1hii n ASN 40 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1hii n ASN 41 N -1.34 4.43 -4.09 1.20 5.15 -1.26 -4.89 115.26 114.45 1hii n ASN 41 Ca 0.05 -2.97 -0.07 0.00 -0.60 0.00 0.00 54.58 50.99 1hii n ASN 41 Cb 0.34 -1.58 -0.10 0.00 -0.53 0.00 0.00 39.78 37.92 1hii n ASN 41 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1hii s TYR 42 N 1.89 0.55 0.02 1.20 -0.85 -1.26 -4.48 117.35 114.43 1hii s TYR 42 Ca 0.44 -1.08 0.07 0.00 -0.52 0.00 0.00 57.07 55.98 1hii s TYR 42 Cb 0.12 -0.39 -0.02 0.00 0.38 0.00 0.00 41.96 42.05 1hii s TYR 42 CO -0.05 -0.40 -0.20 -1.54 -1.52 0.00 0.00 175.55 171.84 1hii s SER 43 N -2.93 2.42 0.38 -0.18 1.04 -1.05 -4.92 113.70 108.47 1hii s SER 43 Ca 0.09 -0.46 -0.26 0.00 0.48 0.00 0.00 55.95 55.80 1hii s SER 43 Cb 0.08 -0.22 -0.09 0.00 0.10 0.00 0.00 66.02 65.89 1hii s SER 43 CO -0.09 0.19 1.16 -2.16 0.98 0.00 0.00 173.24 173.32 1hii s PRO 44 N -0.92 4.14 0.02 4.02 0.04 -1.26 -0.20 135.00 140.84 1hii s PRO 44 Ca 0.07 1.82 -0.03 0.00 0.04 0.00 0.00 61.00 62.90 1hii s PRO 44 Cb -0.08 -2.73 -0.01 0.00 0.04 0.00 0.00 34.50 31.71 1hii s PRO 44 CO 0.01 -0.24 0.04 0.21 0.04 0.00 0.00 177.00 177.06 1hii s LYS 45 N -2.21 0.45 -0.12 4.56 2.47 -0.43 -4.85 119.74 119.61 1hii s LYS 45 Ca 0.55 -0.66 -0.03 0.00 -1.56 0.00 0.00 55.97 54.27 1hii s LYS 45 Cb -0.30 0.17 -0.03 0.00 -1.46 0.00 0.00 37.83 36.21 1hii s LYS 45 CO 0.38 -0.10 -0.01 0.42 0.16 0.00 0.00 175.35 176.21 1hii s ILE 46 N -1.99 4.22 -0.03 5.43 -1.09 -1.26 -0.79 121.20 125.69 1hii s ILE 46 Ca -0.11 -0.26 0.04 0.00 -2.23 0.00 0.00 60.65 58.09 1hii s ILE 46 Cb -0.05 -2.82 -0.00 0.00 -1.58 0.00 0.00 42.46 38.01 1hii s ILE 46 CO -0.02 0.55 -0.14 0.54 -1.23 0.00 0.00 174.94 174.64 1hii s VAL 47 N -0.29 1.15 -0.03 2.92 0.11 -0.21 -4.96 120.40 119.09 1hii s VAL 47 Ca 0.06 -0.57 0.01 0.00 -2.93 0.00 0.00 61.98 58.56 1hii s VAL 47 Cb -0.12 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.70 1hii s VAL 47 CO 0.02 0.34 -0.04 -0.83 -3.33 0.00 0.00 175.10 171.26 1hii s GLY 48 N 0.06 1.78 0.00 6.54 0.00 -1.26 -0.62 107.32 113.81 1hii s GLY 48 Ca -0.02 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.76 1hii s GLY 48 CO 0.01 -0.77 0.00 0.61 0.00 0.00 0.00 173.10 172.96 1hii n GLY 49 N 1.79 5.51 0.19 0.20 0.00 0.07 -4.99 105.19 107.95 1hii n GLY 49 Ca -0.16 -1.45 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 1hii n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1hii h ILE 50 N 0.00 1.36 -0.06 -0.61 2.10 -2.02 -3.27 117.51 115.01 1hii h ILE 50 Ca 0.00 -1.99 0.00 0.00 1.08 0.00 0.00 64.86 63.95 1hii h ILE 50 Cb 0.00 1.98 0.00 0.00 -1.09 0.00 0.00 36.82 37.71 1hii h ILE 50 CO 0.00 0.60 0.00 0.61 -1.08 0.00 0.00 178.15 178.28 1hii n GLY 51 N 0.41 0.80 0.00 8.18 0.00 -1.26 -5.06 105.19 108.26 1hii n GLY 51 Ca -0.04 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1hii n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hii n GLY 52 N 1.32 0.58 3.69 -0.02 0.00 -1.24 -5.14 105.19 104.38 1hii n GLY 52 Ca 0.16 -1.61 -0.23 0.00 0.00 0.00 0.00 46.02 44.33 1hii n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hii s PHE 53 N -3.30 2.72 0.01 1.61 0.40 -1.26 -0.75 117.98 117.40 1hii s PHE 53 Ca 0.00 -0.28 -0.09 0.00 -0.60 0.00 0.00 56.93 55.96 1hii s PHE 53 Cb 0.00 -1.38 0.00 0.00 0.51 0.00 0.00 43.02 42.16 1hii s PHE 53 CO 0.00 0.51 0.18 0.96 0.70 0.00 0.00 175.22 177.57 1hii s ILE 54 N -2.36 0.09 0.34 0.64 -4.36 0.21 -4.97 121.20 110.79 1hii s ILE 54 Ca 0.34 -0.73 -0.16 0.00 -0.26 0.00 0.00 60.65 59.84 1hii s ILE 54 Cb -0.05 -0.60 -0.09 0.00 1.25 0.00 0.00 42.46 42.97 1hii s ILE 54 CO 0.21 -0.40 0.78 0.20 0.24 0.00 0.00 174.94 175.97 1hii s ASN 55 N -1.59 6.81 0.21 4.36 0.01 -1.26 -1.04 114.94 122.45 1hii s ASN 55 Ca -0.12 1.36 -0.10 0.00 -0.71 0.00 0.00 52.86 53.30 1hii s ASN 55 Cb -0.05 -2.41 -0.01 0.00 0.41 0.00 0.00 41.25 39.19 1hii s ASN 55 CO 0.00 -0.23 0.36 0.42 -1.51 0.00 0.00 177.10 176.14 1hii s THR 56 N -2.02 0.02 -0.18 1.60 -4.23 0.03 -4.56 115.64 106.30 1hii s THR 56 Ca 0.56 -1.49 -0.02 0.00 -1.18 0.00 0.00 61.69 59.55 1hii s THR 56 Cb -0.10 -2.14 -0.01 0.00 1.34 0.00 0.00 72.50 71.59 1hii s THR 56 CO 0.17 -0.08 -0.09 -0.54 -0.54 0.00 0.00 174.62 173.53 1hii s LYS 57 N -4.03 3.37 -0.34 3.99 1.02 -0.34 -1.32 119.74 122.09 1hii s LYS 57 Ca 0.24 -0.66 -0.14 0.00 0.02 0.00 0.00 55.97 55.43 1hii s LYS 57 Cb 0.02 -2.82 -0.02 0.00 -0.52 0.00 0.00 37.83 34.49 1hii s LYS 57 CO 0.07 -0.02 0.29 -2.00 -0.92 0.00 0.00 175.35 172.78 1hii s GLU 58 N 0.96 3.55 -0.20 1.68 2.12 0.72 -1.18 118.70 126.36 1hii s GLU 58 Ca -0.01 -0.52 -0.07 0.00 0.36 0.00 0.00 54.97 54.73 1hii s GLU 58 Cb -0.15 -3.80 -0.04 0.00 0.26 0.00 0.00 34.13 30.41 1hii s GLU 58 CO -0.00 -0.46 0.06 0.71 -0.54 0.00 0.00 175.26 175.02 1hii s TYR 59 N 1.86 3.19 0.10 5.30 1.51 -0.05 -2.53 117.35 126.73 1hii s TYR 59 Ca 0.09 -0.08 0.02 0.00 -1.01 0.00 0.00 57.07 56.09 1hii s TYR 59 Cb -0.17 -2.12 -0.04 0.00 -0.11 0.00 0.00 41.96 39.52 1hii s TYR 59 CO 0.11 -0.00 0.20 0.15 -1.11 0.00 0.00 175.55 174.90 1hii s LYS 60 N 0.74 3.27 -1.13 -0.62 1.02 -1.26 -0.94 119.74 120.82 1hii s LYS 60 Ca 0.03 -0.59 -0.07 0.00 0.02 0.00 0.00 55.97 55.36 1hii s LYS 60 Cb -0.13 -2.91 0.01 0.00 -0.52 0.00 0.00 37.83 34.28 1hii s LYS 60 CO 0.02 0.56 0.98 0.09 -0.92 0.00 0.00 175.35 176.08 1hii n ASN 61 N -0.01 -5.50 -4.75 2.83 3.02 -1.20 -4.89 115.26 104.75 1hii n ASN 61 Ca -0.07 -0.45 -0.40 0.00 -0.03 0.00 0.00 54.58 53.63 1hii n ASN 61 Cb 0.52 -4.29 -0.05 0.00 -0.61 0.00 0.00 39.78 35.35 1hii n ASN 61 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1hii s VAL 62 N -3.27 4.61 -0.07 2.41 1.01 -0.04 -4.66 120.40 120.39 1hii s VAL 62 Ca 0.47 1.72 -0.30 0.00 0.00 0.00 0.00 61.98 63.87 1hii s VAL 62 Cb -0.21 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 1hii s VAL 62 CO 0.61 0.39 1.13 -0.70 0.00 0.00 0.00 175.10 176.53 1hii s GLU 63 N -0.30 4.38 -0.05 2.72 2.12 -1.26 -0.92 118.70 125.38 1hii s GLU 63 Ca 0.39 1.58 0.03 0.00 0.36 0.00 0.00 54.97 57.33 1hii s GLU 63 Cb -0.22 -3.55 0.01 0.00 0.26 0.00 0.00 34.13 30.64 1hii s GLU 63 CO 0.25 -0.39 -0.13 0.42 -0.54 0.00 0.00 175.26 174.87 1hii s ILE 64 N 2.10 1.15 -0.20 -3.70 1.01 0.18 -1.38 121.20 120.36 1hii s ILE 64 Ca 0.53 -0.53 -0.01 0.00 0.00 0.00 0.00 60.65 60.65 1hii s ILE 64 Cb -0.23 -1.03 0.02 0.00 0.01 0.00 0.00 42.46 41.23 1hii s ILE 64 CO 0.21 0.35 -0.13 -1.61 0.00 0.00 0.00 174.94 173.75 1hii s GLU 65 N 0.39 3.02 -0.18 2.79 2.02 0.70 -0.66 118.70 126.79 1hii s GLU 65 Ca -0.09 -0.83 -0.16 0.00 0.02 0.00 0.00 54.97 53.91 1hii s GLU 65 Cb -0.13 -2.76 0.05 0.00 0.10 0.00 0.00 34.13 31.38 1hii s GLU 65 CO 0.03 -0.25 0.47 0.54 0.02 0.00 0.00 175.26 176.06 1hii s VAL 66 N 1.33 -0.00 -1.55 2.63 0.11 -0.13 -0.21 120.40 122.59 1hii s VAL 66 Ca 0.04 0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 58.98 1hii s VAL 66 Cb -0.14 -0.66 0.09 0.00 -1.53 0.00 0.00 36.38 34.14 1hii s VAL 66 CO -0.09 0.00 0.78 0.18 -3.33 0.00 0.00 175.10 172.64 1hii n LEU 67 N 2.99 -2.25 -0.24 2.54 4.77 -1.26 -0.28 117.00 123.27 1hii n LEU 67 Ca -0.14 -0.91 -0.03 0.00 -0.03 0.00 0.00 56.01 54.90 1hii n LEU 67 Cb 0.57 -2.34 -0.01 0.00 -2.33 0.00 0.00 43.42 39.30 1hii n LEU 67 CO 0.10 0.40 -0.03 0.59 -1.33 0.00 0.00 177.39 177.12 1hii n ASN 68 N -2.83 -5.32 -4.60 -1.43 3.02 -1.26 -4.98 115.26 97.87 1hii n ASN 68 Ca -0.05 0.08 -0.30 0.00 -0.03 0.00 0.00 54.58 54.28 1hii n ASN 68 Cb 0.56 -3.09 -0.09 0.00 -0.61 0.00 0.00 39.78 36.55 1hii n ASN 68 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1hii s LYS 69 N -1.93 2.19 -0.15 3.52 -0.14 0.61 -5.12 119.74 118.73 1hii s LYS 69 Ca 0.00 -1.00 0.02 0.00 -1.36 0.00 0.00 55.97 53.64 1hii s LYS 69 Cb 0.00 -2.34 0.01 0.00 -1.68 0.00 0.00 37.83 33.82 1hii s LYS 69 CO 0.00 0.51 -0.22 0.21 -0.76 0.00 0.00 175.35 175.10 1hii s LYS 70 N -2.23 3.01 0.07 1.68 2.20 -1.26 -0.96 119.74 122.24 1hii s LYS 70 Ca 0.22 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 1hii s LYS 70 Cb -0.11 -2.46 -0.04 0.00 -1.51 0.00 0.00 37.83 33.71 1hii s LYS 70 CO 0.15 -0.05 -0.05 0.14 -0.36 0.00 0.00 175.35 175.17 1hii s VAL 71 N 0.91 0.43 -0.17 4.02 -7.23 0.17 -4.98 120.40 113.56 1hii s VAL 71 Ca -0.05 -1.71 -0.02 0.00 -1.81 0.00 0.00 61.98 58.40 1hii s VAL 71 Cb -0.15 -1.38 -0.01 0.00 0.56 0.00 0.00 36.38 35.39 1hii s VAL 71 CO -0.04 -0.84 -0.09 -0.13 -0.31 0.00 0.00 175.10 173.68 1hii s ARG 72 N -3.44 3.41 0.18 4.82 1.81 -1.26 0.47 118.95 124.94 1hii s ARG 72 Ca 0.05 -0.65 -0.14 0.00 -1.72 0.00 0.00 55.73 53.27 1hii s ARG 72 Cb 0.04 -2.80 0.02 0.00 -0.45 0.00 0.00 34.95 31.75 1hii s ARG 72 CO -0.06 0.06 0.43 0.00 -0.68 0.00 0.00 175.30 175.05 1hii s ALA 73 N 0.78 -0.62 0.12 2.13 0.00 -0.10 -4.81 121.76 119.25 1hii s ALA 73 Ca -0.04 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.20 1hii s ALA 73 Cb -0.15 0.83 -0.06 0.00 0.00 0.00 0.00 23.12 23.73 1hii s ALA 73 CO 0.01 -0.73 1.13 0.99 0.00 0.00 0.00 175.76 177.16 1hii s THR 74 N -3.90 4.00 -0.01 0.00 2.01 -1.26 -0.86 115.64 115.63 1hii s THR 74 Ca 0.11 1.58 0.05 0.00 0.31 0.00 0.00 61.69 63.74 1hii s THR 74 Cb 0.01 -4.01 -0.01 0.00 0.01 0.00 0.00 72.50 68.49 1hii s THR 74 CO -0.03 0.20 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.33 1hii s ILE 75 N 0.35 1.17 0.00 1.82 -1.09 -0.11 -4.51 121.20 118.82 1hii s ILE 75 Ca 0.53 -0.64 0.05 0.00 -2.23 0.00 0.00 60.65 58.37 1hii s ILE 75 Cb -0.29 -0.97 -0.03 0.00 -1.58 0.00 0.00 42.46 39.59 1hii s ILE 75 CO 0.32 0.32 -0.16 -0.04 -1.23 0.00 0.00 174.94 174.16 1hii s MET 76 N -0.36 2.28 -0.06 2.79 -1.94 -0.41 -0.87 119.30 120.73 1hii s MET 76 Ca 0.06 -0.85 0.02 0.00 -1.71 0.00 0.00 55.69 53.20 1hii s MET 76 Cb -0.06 -2.28 -0.03 0.00 2.01 0.00 0.00 34.83 34.47 1hii s MET 76 CO -0.01 0.58 -0.09 0.95 -0.01 0.00 0.00 175.02 176.44 1hii s THR 77 N -0.85 3.51 -0.64 2.05 -4.23 -0.32 -0.00 115.64 115.16 1hii s THR 77 Ca 0.14 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 60.10 1hii s THR 77 Cb -0.11 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.31 1hii s THR 77 CO 0.04 0.59 0.00 0.61 -0.54 0.00 0.00 174.62 175.32 1hii n GLY 78 N 2.28 -1.32 3.57 3.99 0.00 -0.92 -1.20 105.19 111.60 1hii n GLY 78 Ca -0.18 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 1hii n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hii s ASP 79 N -0.12 6.30 0.00 1.61 2.15 -1.26 -3.99 116.67 121.36 1hii s ASP 79 Ca 0.00 -1.89 0.07 0.00 0.43 0.00 0.00 52.55 51.16 1hii s ASP 79 Cb 0.00 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 40.02 1hii s ASP 79 CO 0.00 -1.71 -0.21 0.28 -0.17 0.00 0.00 175.17 173.36 1hii s THR 80 N 6.05 2.54 0.19 1.71 -1.32 -1.26 -5.02 115.64 118.53 1hii s THR 80 Ca 0.55 -1.09 0.19 0.00 -1.21 0.00 0.00 61.69 60.14 1hii s THR 80 Cb 0.01 -1.99 0.14 0.00 -1.51 0.00 0.00 72.50 69.15 1hii s THR 80 CO 0.03 0.47 1.75 -0.65 -2.21 0.00 0.00 174.62 174.01 1hii h PRO 81 N 5.03 0.00 -4.06 7.08 0.11 -1.99 -3.44 132.00 134.73 1hii h PRO 81 Ca -0.46 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.39 1hii h PRO 81 Cb 1.14 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 31.99 1hii h PRO 81 CO 0.47 0.36 -0.73 0.42 -0.21 0.00 0.00 178.00 178.31 1hii s ILE 82 N -3.66 0.22 -0.08 4.15 1.01 -1.26 -5.12 121.20 116.45 1hii s ILE 82 Ca -0.00 -0.30 -0.30 0.00 0.00 0.00 0.00 60.65 60.05 1hii s ILE 82 Cb 0.11 -0.22 -0.02 0.00 0.01 0.00 0.00 42.46 42.34 1hii s ILE 82 CO 0.68 -0.06 1.00 0.20 0.00 0.00 0.00 174.94 176.77 1hii s ASN 83 N -0.39 7.27 -0.12 3.58 0.01 -1.26 -4.88 114.94 119.15 1hii s ASN 83 Ca -0.02 1.56 -0.02 0.00 -0.71 0.00 0.00 52.86 53.67 1hii s ASN 83 Cb -0.03 -2.56 -0.03 0.00 0.41 0.00 0.00 41.25 39.04 1hii s ASN 83 CO -0.00 -0.41 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.50 1hii s ILE 84 N 1.80 3.78 -0.36 0.60 -1.09 0.02 0.19 121.20 126.14 1hii s ILE 84 Ca 0.49 -0.42 0.01 0.00 -2.23 0.00 0.00 60.65 58.51 1hii s ILE 84 Cb -0.19 -2.61 0.10 0.00 -1.58 0.00 0.00 42.46 38.18 1hii s ILE 84 CO 0.20 0.54 0.10 -0.36 -1.23 0.00 0.00 174.94 174.19 1hii s PHE 85 N -0.10 3.67 0.00 3.97 0.40 -0.57 -1.03 117.98 124.32 1hii s PHE 85 Ca 0.02 -2.73 0.00 0.00 -0.60 0.00 0.00 56.93 53.62 1hii s PHE 85 Cb -0.13 -2.98 0.00 0.00 0.51 0.00 0.00 43.02 40.42 1hii s PHE 85 CO 0.03 -0.95 0.00 0.41 0.70 0.00 0.00 175.22 175.41 1hii n GLY 86 N 4.40 -0.26 0.26 4.36 0.00 -1.10 -1.28 105.19 111.57 1hii n GLY 86 Ca 0.00 -1.74 0.09 0.00 0.00 0.00 0.00 46.02 44.38 1hii n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hii h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.84 -1.96 114.38 116.28 1hii h ARG 87 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1hii h ARG 87 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1hii h ARG 87 CO 0.00 0.01 -0.05 -2.95 -1.07 0.00 0.00 179.97 175.91 1hii h ASN 88 N 0.00 0.00 0.08 7.04 -1.07 -1.82 -1.21 115.58 118.61 1hii h ASN 88 Ca -0.00 0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.00 1hii h ASN 88 Cb 0.02 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.24 1hii h ASN 88 CO 0.00 0.05 -2.16 -0.38 0.07 0.00 0.00 177.43 175.01 1hii n ILE 89 N -4.26 1.68 -0.33 6.14 5.41 -0.80 -3.74 119.36 123.47 1hii n ILE 89 Ca -0.03 -0.63 -0.02 0.00 1.00 0.00 0.00 62.75 63.08 1hii n ILE 89 Cb 0.13 -1.63 0.11 0.00 -0.71 0.00 0.00 39.64 37.54 1hii n ILE 89 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1hii h LEU 90 N 0.05 0.98 -0.71 1.39 3.38 -1.16 -1.57 115.31 117.68 1hii h LEU 90 Ca -0.48 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.36 1hii h LEU 90 Cb 1.99 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 1hii h LEU 90 CO 0.03 0.69 -0.32 0.71 0.09 0.00 0.00 178.44 179.63 1hii h THR 91 N 1.15 1.28 -0.30 0.22 1.35 -1.41 -0.50 112.91 114.70 1hii h THR 91 Ca 0.34 -1.45 -0.04 0.00 -0.55 0.00 0.00 66.41 64.71 1hii h THR 91 Cb -0.05 1.40 -0.02 0.00 -1.73 0.00 0.00 68.15 67.76 1hii h THR 91 CO -0.10 0.47 -0.01 0.00 -0.25 0.00 0.00 175.52 175.63 1hii h ALA 92 N 1.10 1.44 0.00 6.62 0.00 -1.53 -1.75 119.26 125.14 1hii h ALA 92 Ca 0.06 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1hii h ALA 92 Cb 0.82 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1hii h ALA 92 CO 0.07 0.40 -0.38 -0.07 0.00 0.00 0.00 179.25 179.27 1hii h LEU 93 N 0.44 0.00 -0.06 0.00 3.38 -0.95 -3.47 115.31 114.65 1hii h LEU 93 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1hii h LEU 93 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1hii h LEU 93 CO 0.01 0.38 0.00 0.61 0.09 0.00 0.00 178.44 179.53 1hii n GLY 94 N 0.75 1.05 3.85 0.83 0.00 -0.66 -5.07 105.19 105.95 1hii n GLY 94 Ca 0.01 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 1hii n GLY 94 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1hii s MET 95 N -2.74 3.88 0.19 1.61 0.00 -0.27 -5.03 119.30 116.94 1hii s MET 95 Ca 0.00 0.34 0.02 0.00 0.00 0.00 0.00 55.69 56.05 1hii s MET 95 Cb 0.00 -3.00 -0.05 0.00 0.00 0.00 0.00 34.83 31.78 1hii s MET 95 CO 0.00 0.54 0.02 -1.54 0.00 0.00 0.00 175.02 174.04 1hii s SER 96 N -1.66 1.24 -0.21 1.11 1.04 -1.26 -4.63 113.70 109.32 1hii s SER 96 Ca 0.34 -1.22 -0.05 0.00 0.48 0.00 0.00 55.95 55.50 1hii s SER 96 Cb -0.15 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.07 1hii s SER 96 CO 0.18 -0.60 0.01 -0.22 0.98 0.00 0.00 173.24 173.59 1hii s LEU 97 N -3.21 3.25 -0.06 2.42 2.96 -1.26 -5.10 118.68 117.68 1hii s LEU 97 Ca 0.27 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.99 1hii s LEU 97 Cb 0.06 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 1hii s LEU 97 CO 0.06 0.03 -0.16 0.20 -1.32 0.00 0.00 176.35 175.17 1hii s ASN 98 N 1.19 3.87 0.00 3.68 0.01 -1.26 -5.30 114.94 117.13 1hii s ASN 98 Ca 0.03 -0.27 0.03 0.00 -0.71 0.00 0.00 52.86 51.95 1hii s ASN 98 Cb -0.14 -0.95 0.03 0.00 0.41 0.00 0.00 41.25 40.59 1hii s ASN 98 CO 0.01 0.30 0.61 -0.11 -1.51 0.00 0.00 177.10 176.41