#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hiy n THR 2 N 0.00 0.00 -3.45 0.00 -1.04 -0.51 -4.54 114.28 104.75 2hiy n THR 2 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 2hiy n THR 2 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 2hiy n THR 2 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2hiy s ARG 3 N -0.68 4.01 0.13 -2.82 3.52 -1.26 -1.13 118.95 120.72 2hiy s ARG 3 Ca 0.00 0.45 0.07 0.00 -0.13 0.00 0.00 55.73 56.13 2hiy s ARG 3 Cb 0.00 -3.25 -0.04 0.00 -1.56 0.00 0.00 34.95 30.10 2hiy s ARG 3 CO 0.00 0.61 -0.18 0.71 -0.81 0.00 0.00 175.30 175.64 2hiy s TYR 4 N -0.85 1.66 -0.12 5.12 2.02 0.44 -1.33 117.35 124.29 2hiy s TYR 4 Ca 0.25 -0.47 -0.01 0.00 -0.37 0.00 0.00 57.07 56.46 2hiy s TYR 4 Cb -0.17 -0.87 -0.02 0.00 -0.40 0.00 0.00 41.96 40.50 2hiy s TYR 4 CO 0.14 0.22 -0.10 0.00 -1.57 0.00 0.00 175.55 174.25 2hiy s ALA 5 N -1.75 2.79 -0.24 3.71 0.00 0.46 -1.76 121.76 124.97 2hiy s ALA 5 Ca 0.10 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.19 2hiy s ALA 5 Cb -0.07 -1.29 0.04 0.00 0.00 0.00 0.00 23.12 21.80 2hiy s ALA 5 CO 0.05 0.32 -0.11 -1.17 0.00 0.00 0.00 175.76 174.84 2hiy s LEU 6 N 0.06 3.05 -0.06 0.00 2.96 0.17 -1.50 118.68 123.35 2hiy s LEU 6 Ca -0.03 -1.05 0.06 0.00 -0.22 0.00 0.00 54.13 52.89 2hiy s LEU 6 Cb -0.14 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 2hiy s LEU 6 CO 0.04 -0.13 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.95 2hiy s LEU 7 N 1.22 2.19 0.27 -0.68 1.43 -0.04 -0.88 118.68 122.19 2hiy s LEU 7 Ca -0.03 -0.46 0.07 0.00 -1.03 0.00 0.00 54.13 52.68 2hiy s LEU 7 Cb -0.17 -1.41 -0.06 0.00 0.03 0.00 0.00 46.19 44.58 2hiy s LEU 7 CO -0.07 0.26 -0.07 0.68 0.23 0.00 0.00 176.35 177.38 2hiy s VAL 8 N -0.23 1.62 0.28 -1.59 -7.23 -0.54 -0.69 120.40 112.02 2hiy s VAL 8 Ca -0.01 -2.13 0.09 0.00 -1.81 0.00 0.00 61.98 58.11 2hiy s VAL 8 Cb -0.13 -2.39 -0.06 0.00 0.56 0.00 0.00 36.38 34.36 2hiy s VAL 8 CO 0.03 -0.34 -0.11 0.00 -0.31 0.00 0.00 175.10 174.37 2hiy s ARG 9 N -3.73 1.61 -0.45 4.82 1.04 -1.26 -4.61 118.95 116.38 2hiy s ARG 9 Ca 0.29 -1.79 0.00 0.00 -1.04 0.00 0.00 55.73 53.19 2hiy s ARG 9 Cb 0.03 -1.43 0.00 0.00 -2.04 0.00 0.00 34.95 31.51 2hiy s ARG 9 CO 0.11 0.16 0.00 0.41 -0.04 0.00 0.00 175.30 175.94 2hiy n GLY 10 N -0.61 0.67 3.94 3.88 0.00 -1.26 -4.92 105.19 106.88 2hiy n GLY 10 Ca -0.06 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 2hiy n GLY 10 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2hiy s ILE 11 N -1.97 5.27 -1.48 -0.61 -4.36 -1.26 -4.57 121.20 112.22 2hiy s ILE 11 Ca 0.00 -0.63 -0.12 0.00 -0.26 0.00 0.00 60.65 59.65 2hiy s ILE 11 Cb 0.00 -3.77 0.06 0.00 1.25 0.00 0.00 42.46 40.00 2hiy s ILE 11 CO 0.00 -0.18 0.99 0.59 0.24 0.00 0.00 174.94 176.58 2hiy n ASN 12 N -0.80 -5.33 -3.96 4.36 3.02 0.17 -4.86 115.26 107.86 2hiy n ASN 12 Ca -0.06 -0.65 -0.08 0.00 -0.03 0.00 0.00 54.58 53.75 2hiy n ASN 12 Cb 0.55 -4.24 -0.09 0.00 -0.61 0.00 0.00 39.78 35.38 2hiy n ASN 12 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2hiy s VAL 13 N -3.27 0.17 -1.31 2.41 -7.23 -1.23 -4.93 120.40 105.01 2hiy s VAL 13 Ca 0.61 -1.38 0.00 0.00 -1.81 0.00 0.00 61.98 59.40 2hiy s VAL 13 Cb -0.29 -1.28 0.00 0.00 0.56 0.00 0.00 36.38 35.36 2hiy s VAL 13 CO 0.75 -0.76 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 2hiy n GLY 14 N 0.22 1.31 2.35 2.32 0.00 -1.26 -2.45 105.19 107.69 2hiy n GLY 14 Ca -0.16 -0.37 -0.07 0.00 0.00 0.00 0.00 46.02 45.42 2hiy n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hiy n GLY 15 N -1.28 0.85 3.31 -0.02 0.00 -1.26 -4.98 105.19 101.80 2hiy n GLY 15 Ca -0.12 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.33 2hiy n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hiy s LYS 16 N -2.20 1.75 -1.35 1.61 -2.85 -1.02 -4.95 119.74 110.72 2hiy s LYS 16 Ca 0.00 -1.96 -0.05 0.00 -1.00 0.00 0.00 55.97 52.97 2hiy s LYS 16 Cb 0.00 0.34 0.02 0.00 -2.06 0.00 0.00 37.83 36.13 2hiy s LYS 16 CO 0.00 -0.66 0.92 0.09 0.10 0.00 0.00 175.35 175.80 2hiy n ASN 17 N -1.45 -3.14 -4.71 0.03 4.13 -1.26 -3.55 115.26 105.31 2hiy n ASN 17 Ca 0.06 -0.72 -0.42 0.00 1.68 0.00 0.00 54.58 55.19 2hiy n ASN 17 Cb 0.62 -4.43 -0.03 0.00 -1.54 0.00 0.00 39.78 34.40 2hiy n ASN 17 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2hiy s LYS 18 N -6.05 4.50 -0.10 3.52 2.20 -1.26 -0.65 119.74 121.89 2hiy s LYS 18 Ca 0.26 1.55 -0.01 0.00 -0.36 0.00 0.00 55.97 57.41 2hiy s LYS 18 Cb -0.12 -3.43 0.03 0.00 -1.51 0.00 0.00 37.83 32.80 2hiy s LYS 18 CO 0.78 -0.14 -0.05 0.08 -0.36 0.00 0.00 175.35 175.67 2hiy s VAL 19 N 1.09 0.80 0.00 4.02 1.01 -1.26 -4.93 120.40 121.13 2hiy s VAL 19 Ca 0.54 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.34 2hiy s VAL 19 Cb -0.24 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.25 2hiy s VAL 19 CO 0.28 0.30 0.00 0.52 0.00 0.00 0.00 175.10 176.20 2hiy n VAL 20 N 5.01 0.00 0.00 2.92 0.31 -1.26 -4.91 118.33 120.40 2hiy n VAL 20 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2hiy n VAL 20 Cb 0.50 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 2hiy n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hiy n ALA 22 N -3.00 0.00 -0.06 3.52 0.00 -1.26 -1.38 120.51 118.33 2hiy n ALA 22 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2hiy n ALA 22 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2hiy n ALA 22 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2hiy h GLU 23 N 0.00 0.34 -0.64 0.00 5.08 -1.99 -2.04 114.58 115.34 2hiy h GLU 23 Ca 0.00 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 2hiy h GLU 23 Cb 0.00 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2hiy h GLU 23 CO 0.00 0.64 0.27 1.25 -1.00 0.00 0.00 179.01 180.18 2hiy h LEU 24 N 0.03 0.86 -0.73 1.33 5.85 -1.63 0.66 115.31 121.68 2hiy h LEU 24 Ca 0.04 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.61 2hiy h LEU 24 Cb 0.54 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 2hiy h LEU 24 CO 0.02 0.78 0.47 0.03 -0.34 0.00 0.00 178.44 179.40 2hiy h ARG 25 N 0.89 0.97 -0.63 1.25 3.08 -1.81 -0.53 114.38 117.60 2hiy h ARG 25 Ca 0.21 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 2hiy h ARG 25 Cb 0.17 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 2hiy h ARG 25 CO -0.02 0.65 0.28 0.37 -1.07 0.00 0.00 179.97 180.18 2hiy h GLN 26 N 0.99 0.92 -0.12 0.04 5.75 -0.71 -1.36 115.11 120.61 2hiy h GLN 26 Ca 0.26 -0.15 -0.00 0.00 -0.15 0.00 0.00 58.65 58.61 2hiy h GLN 26 Cb -0.09 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.30 2hiy h GLN 26 CO -0.06 0.76 0.07 0.93 -2.65 0.00 0.00 178.83 177.88 2hiy h GLU 27 N 0.87 0.16 -0.46 1.69 5.08 -0.44 0.69 114.58 122.16 2hiy h GLU 27 Ca 0.21 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 2hiy h GLU 27 Cb 0.16 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2hiy h GLU 27 CO -0.02 0.14 0.10 -0.07 -1.00 0.00 0.00 179.01 178.15 2hiy h LEU 28 N 0.13 0.65 -0.65 1.33 3.38 -1.04 -0.43 115.31 118.67 2hiy h LEU 28 Ca 0.04 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2hiy h LEU 28 Cb 0.02 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2hiy h LEU 28 CO -0.01 0.65 0.37 0.74 0.09 0.00 0.00 178.44 180.29 2hiy h THR 29 N 0.68 1.20 0.00 0.22 2.02 -1.02 -1.72 112.91 114.28 2hiy h THR 29 Ca 0.15 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 2hiy h THR 29 Cb 0.27 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 2hiy h THR 29 CO -0.00 0.21 -0.06 0.78 0.37 0.00 0.00 175.52 176.82 2hiy h ASN 30 N 0.89 0.00 0.31 4.18 2.35 0.07 -0.71 115.58 122.66 2hiy h ASN 30 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2hiy h ASN 30 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2hiy h ASN 30 CO -0.04 0.06 -0.04 0.18 -1.65 0.00 0.00 177.43 175.94 2hiy n LEU 31 N -3.23 0.27 0.00 1.61 4.77 -0.26 -4.92 117.00 115.25 2hiy n LEU 31 Ca -0.00 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2hiy n LEU 31 Cb 0.29 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2hiy n LEU 31 CO 0.28 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2hiy n GLY 32 N 1.20 0.86 3.81 -0.72 0.00 -0.27 -5.08 105.19 105.00 2hiy n GLY 32 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2hiy n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hiy s LEU 33 N 0.00 4.17 0.21 0.99 1.43 -0.70 -5.00 118.68 119.78 2hiy s LEU 33 Ca 0.00 1.63 0.07 0.00 -1.03 0.00 0.00 54.13 54.80 2hiy s LEU 33 Cb 0.00 -4.11 -0.04 0.00 0.03 0.00 0.00 46.19 42.07 2hiy s LEU 33 CO 0.00 -0.16 0.06 -1.61 0.23 0.00 0.00 176.35 174.86 2hiy s GLU 34 N -2.54 2.55 -1.40 1.70 2.02 -0.43 -4.15 118.70 116.45 2hiy s GLU 34 Ca 0.53 -1.14 -0.00 0.00 0.02 0.00 0.00 54.97 54.38 2hiy s GLU 34 Cb -0.14 -2.39 -0.00 0.00 0.10 0.00 0.00 34.13 31.70 2hiy s GLU 34 CO 0.19 0.43 0.43 1.63 0.02 0.00 0.00 175.26 177.95 2hiy n LYS 35 N -0.55 -3.29 -2.56 1.61 5.02 -1.26 -0.47 118.16 116.65 2hiy n LYS 35 Ca -0.08 0.41 -0.42 0.00 -2.02 0.00 0.00 58.31 56.19 2hiy n LYS 35 Cb 0.57 -4.53 -0.03 0.00 -0.02 0.00 0.00 35.03 31.02 2hiy n LYS 35 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2hiy s VAL 36 N -3.95 4.48 0.19 -0.18 1.01 -1.26 -4.37 120.40 116.32 2hiy s VAL 36 Ca 0.01 1.78 0.02 0.00 0.00 0.00 0.00 61.98 63.78 2hiy s VAL 36 Cb -0.00 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 2hiy s VAL 36 CO 0.89 0.03 0.02 -1.61 0.00 0.00 0.00 175.10 174.43 2hiy s GLU 37 N 1.87 1.18 0.10 2.72 2.02 0.04 -4.98 118.70 121.64 2hiy s GLU 37 Ca 0.53 -1.58 -0.04 0.00 0.02 0.00 0.00 54.97 53.90 2hiy s GLU 37 Cb -0.23 -0.27 -0.03 0.00 0.10 0.00 0.00 34.13 33.71 2hiy s GLU 37 CO 0.22 -0.16 0.08 -1.54 0.02 0.00 0.00 175.26 173.88 2hiy s SER 38 N -3.20 0.30 -0.05 -0.19 1.04 -1.26 -0.67 113.70 109.67 2hiy s SER 38 Ca 0.27 -0.96 0.02 0.00 0.48 0.00 0.00 55.95 55.75 2hiy s SER 38 Cb 0.06 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.49 2hiy s SER 38 CO 0.06 -0.70 -0.08 -0.47 0.98 0.00 0.00 173.24 173.03 2hiy s TYR 39 N -3.95 1.04 0.00 5.02 5.04 -0.31 -5.01 117.35 119.18 2hiy s TYR 39 Ca 0.13 -0.33 0.00 0.00 -2.44 0.00 0.00 57.07 54.43 2hiy s TYR 39 Cb 0.07 -0.81 0.00 0.00 0.35 0.00 0.00 41.96 41.56 2hiy s TYR 39 CO -0.06 -0.21 0.00 0.44 -1.34 0.00 0.00 175.55 174.39 2hiy n ILE 40 N 3.83 0.00 -0.28 3.14 -5.35 -1.26 -3.98 119.36 115.46 2hiy n ILE 40 Ca -0.23 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 2hiy n ILE 40 Cb 0.52 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 2hiy n ILE 40 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2hiy n ASN 41 N -3.59 1.12 -0.18 7.28 5.15 -1.26 -4.71 115.26 119.08 2hiy n ASN 41 Ca 0.00 -1.40 0.14 0.00 -0.60 0.00 0.00 54.58 52.72 2hiy n ASN 41 Cb 0.00 0.00 0.52 0.00 -0.53 0.00 0.00 39.78 39.77 2hiy n ASN 41 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2hiy n SER 42 N -0.20 0.71 0.00 1.20 3.41 -1.26 -4.74 113.62 112.74 2hiy n SER 42 Ca 0.00 -0.72 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 2hiy n SER 42 Cb 0.21 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 2hiy n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hiy n GLY 43 N 1.30 0.77 2.91 5.00 0.00 -1.26 -4.54 105.19 109.36 2hiy n GLY 43 Ca 0.14 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 2hiy n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2hiy s ASN 44 N -1.50 4.20 -0.02 1.61 0.01 -1.26 -1.47 114.94 116.51 2hiy s ASN 44 Ca 0.00 -1.62 0.08 0.00 -0.71 0.00 0.00 52.86 50.61 2hiy s ASN 44 Cb 0.00 -1.24 -0.02 0.00 0.41 0.00 0.00 41.25 40.40 2hiy s ASN 44 CO 0.00 -0.33 -0.25 -0.63 -1.51 0.00 0.00 177.10 174.38 2hiy s ILE 45 N 1.30 2.18 -0.02 0.60 -1.09 -0.06 -1.17 121.20 122.95 2hiy s ILE 45 Ca 0.04 -1.07 0.05 0.00 -2.23 0.00 0.00 60.65 57.44 2hiy s ILE 45 Cb -0.18 -1.76 -0.01 0.00 -1.58 0.00 0.00 42.46 38.92 2hiy s ILE 45 CO -0.12 0.58 -0.17 -0.36 -1.23 0.00 0.00 174.94 173.63 2hiy s PHE 46 N -0.63 1.56 0.19 3.97 0.08 0.15 0.46 117.98 123.76 2hiy s PHE 46 Ca 0.10 -0.31 -0.18 0.00 0.12 0.00 0.00 56.93 56.66 2hiy s PHE 46 Cb -0.10 -1.01 0.03 0.00 -0.57 0.00 0.00 43.02 41.37 2hiy s PHE 46 CO -0.01 -0.04 0.53 -0.59 -0.10 0.00 0.00 175.22 175.01 2hiy s PHE 47 N -0.34 -0.16 -0.01 0.36 -0.12 -0.72 -0.78 117.98 116.20 2hiy s PHE 47 Ca 0.05 -0.18 0.08 0.00 -0.05 0.00 0.00 56.93 56.84 2hiy s PHE 47 Cb -0.07 0.41 -0.02 0.00 -0.63 0.00 0.00 43.02 42.71 2hiy s PHE 47 CO -0.00 -0.91 -0.25 0.99 -0.05 0.00 0.00 175.22 174.99 2hiy s THR 48 N -3.86 2.00 0.02 -4.49 2.01 0.38 -0.42 115.64 111.27 2hiy s THR 48 Ca 0.08 -1.12 -0.25 0.00 0.31 0.00 0.00 61.69 60.71 2hiy s THR 48 Cb -0.01 -1.67 0.06 0.00 0.01 0.00 0.00 72.50 70.89 2hiy s THR 48 CO -0.04 0.53 0.57 -0.55 -0.69 0.00 0.00 174.62 174.44 2hiy s SER 49 N -0.69 -0.51 0.00 3.53 0.15 -0.28 -1.32 113.70 114.57 2hiy s SER 49 Ca 0.10 0.35 0.24 0.00 0.70 0.00 0.00 55.95 57.35 2hiy s SER 49 Cb -0.10 0.50 0.39 0.00 -1.71 0.00 0.00 66.02 65.11 2hiy s SER 49 CO -0.00 -0.68 1.33 2.30 1.20 0.00 0.00 173.24 177.39 2hiy n ILE 50 N 0.59 0.01 -1.76 6.45 -6.64 -1.26 -1.42 119.36 115.32 2hiy n ILE 50 Ca -0.19 -0.01 -0.34 0.00 -1.77 0.00 0.00 62.75 60.44 2hiy n ILE 50 Cb 0.59 0.35 0.05 0.00 -1.44 0.00 0.00 39.64 39.20 2hiy n ILE 50 CO 0.00 0.00 0.00 -1.81 -1.77 0.00 0.00 176.55 172.97 2hiy s ASP 51 N -3.03 4.93 0.74 7.28 1.01 -1.26 -4.67 116.67 121.67 2hiy s ASP 51 Ca 0.10 2.18 -0.13 0.00 0.71 0.00 0.00 52.55 55.41 2hiy s ASP 51 Cb 0.17 -2.57 0.04 0.00 1.01 0.00 0.00 42.92 41.57 2hiy s ASP 51 CO 0.73 -1.76 1.14 -0.94 0.21 0.00 0.00 175.17 174.55 2hiy s SER 52 N -2.17 4.40 0.20 0.27 1.04 -1.26 -4.82 113.70 111.36 2hiy s SER 52 Ca 0.71 2.09 -0.11 0.00 0.48 0.00 0.00 55.95 59.13 2hiy s SER 52 Cb -0.25 -2.56 0.22 0.00 0.10 0.00 0.00 66.02 63.53 2hiy s SER 52 CO 0.39 -2.11 1.77 0.50 0.98 0.00 0.00 173.24 174.77 2hiy h LYS 53 N -0.59 0.46 -0.79 4.02 1.63 -1.99 -0.69 116.57 118.62 2hiy h LYS 53 Ca -0.46 -0.03 0.04 0.00 -0.85 0.00 0.00 60.65 59.36 2hiy h LYS 53 Cb 1.26 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 32.73 2hiy h LYS 53 CO 0.50 0.30 0.49 0.00 -3.45 0.00 0.00 179.45 177.30 2hiy h ALA 54 N 1.35 1.05 -0.72 5.00 0.00 -1.99 0.35 119.26 124.30 2hiy h ALA 54 Ca 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2hiy h ALA 54 Cb 0.26 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2hiy h ALA 54 CO -0.23 0.27 0.40 1.96 0.00 0.00 0.00 179.25 181.65 2hiy h GLN 55 N 0.94 1.00 -0.33 0.00 4.20 -1.74 -2.01 115.11 117.17 2hiy h GLN 55 Ca 0.33 -0.11 -0.13 0.00 0.06 0.00 0.00 58.65 58.79 2hiy h GLN 55 Cb 0.07 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 2hiy h GLN 55 CO -0.13 0.74 -0.31 -0.07 -0.67 0.00 0.00 178.83 178.39 2hiy h LEU 56 N 0.99 0.85 -0.53 1.46 3.38 -0.28 -0.79 115.31 120.38 2hiy h LEU 56 Ca 0.25 -0.46 0.02 0.00 0.09 0.00 0.00 57.88 57.78 2hiy h LEU 56 Cb 0.03 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 2hiy h LEU 56 CO -0.04 1.14 0.33 0.58 0.09 0.00 0.00 178.44 180.53 2hiy h VAL 57 N 0.58 1.08 -0.41 1.22 2.07 -0.86 -0.54 116.25 119.40 2hiy h VAL 57 Ca 0.06 -0.23 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 2hiy h VAL 57 Cb 0.89 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2hiy h VAL 57 CO 0.08 0.12 -0.06 -0.08 0.02 0.00 0.00 177.57 177.65 2hiy h GLU 58 N 0.66 0.76 -0.32 1.57 4.81 -1.21 -0.31 114.58 120.55 2hiy h GLU 58 Ca 0.21 -0.27 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 2hiy h GLU 58 Cb -0.01 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 2hiy h GLU 58 CO -0.08 0.87 0.10 -0.22 -0.73 0.00 0.00 179.01 178.96 2hiy h LYS 59 N 0.58 0.23 -0.33 1.92 3.64 -0.93 -1.07 116.57 120.60 2hiy h LYS 59 Ca 0.11 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.30 2hiy h LYS 59 Cb 0.57 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2hiy h LYS 59 CO 0.03 0.15 -0.47 -0.07 -2.27 0.00 0.00 179.45 176.82 2hiy h LEU 60 N 0.24 0.98 -0.50 5.20 3.38 -0.95 -1.30 115.31 122.36 2hiy h LEU 60 Ca 0.15 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2hiy h LEU 60 Cb 0.13 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2hiy h LEU 60 CO -0.16 1.30 0.31 -0.33 0.09 0.00 0.00 178.44 179.65 2hiy h GLU 61 N 0.70 0.67 -0.41 1.13 5.08 -0.91 0.67 114.58 121.51 2hiy h GLU 61 Ca 0.03 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2hiy h GLU 61 Cb 1.08 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 2hiy h GLU 61 CO 0.11 0.47 0.12 1.15 -1.00 0.00 0.00 179.01 179.85 2hiy h THR 62 N 0.67 1.22 0.08 1.13 2.02 -1.15 -1.19 112.91 115.69 2hiy h THR 62 Ca 0.18 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 66.61 2hiy h THR 62 Cb -0.04 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 2hiy h THR 62 CO -0.04 0.26 -0.04 0.15 0.37 0.00 0.00 175.52 176.23 2hiy h PHE 63 N 0.51 -0.10 -0.73 3.16 3.57 -0.94 -2.86 116.94 119.56 2hiy h PHE 63 Ca 0.13 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 2hiy h PHE 63 Cb 0.28 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 2hiy h PHE 63 CO 0.01 -0.02 0.25 0.74 -2.23 0.00 0.00 178.31 177.06 2hiy h PHE 64 N -0.15 1.14 -0.37 0.41 0.04 -0.79 0.18 116.94 117.39 2hiy h PHE 64 Ca -0.01 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.66 2hiy h PHE 64 Cb 0.12 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 37.92 2hiy h PHE 64 CO -0.06 0.89 0.21 0.00 -0.60 0.00 0.00 178.31 178.75 2hiy h ALA 65 N 1.20 1.69 0.08 2.45 0.00 -1.10 0.62 119.26 124.19 2hiy h ALA 65 Ca 0.24 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.90 2hiy h ALA 65 Cb 0.27 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2hiy h ALA 65 CO -0.01 0.27 -1.01 0.28 0.00 0.00 0.00 179.25 178.78 2hiy h VAL 66 N 0.50 1.24 0.00 0.00 2.07 -1.27 -3.40 116.25 115.40 2hiy h VAL 66 Ca 0.13 -2.38 -0.08 0.00 0.82 0.00 0.00 66.70 65.20 2hiy h VAL 66 Cb -0.01 2.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 2hiy h VAL 66 CO -0.02 0.62 -1.87 1.41 0.02 0.00 0.00 177.57 177.73 2hiy n HIS 67 N -4.18 0.00 -3.13 1.57 8.25 0.03 -4.66 115.22 113.10 2hiy n HIS 67 Ca -0.21 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.04 2hiy n HIS 67 Cb 0.77 -0.50 -0.04 0.00 1.12 0.00 0.00 29.99 31.34 2hiy n HIS 67 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2hiy n TYR 68 N -2.23 -0.67 0.26 4.41 4.01 0.14 -5.01 117.16 118.07 2hiy n TYR 68 Ca -0.09 -3.37 0.10 0.00 -0.16 0.00 0.00 57.90 54.37 2hiy n TYR 68 Cb 0.61 -0.08 0.46 0.00 -0.31 0.00 0.00 39.34 40.01 2hiy n TYR 68 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2hiy n PRO 69 N 1.15 0.13 0.00 -0.72 -0.04 -0.77 -0.88 135.00 133.87 2hiy n PRO 69 Ca 0.20 0.51 0.12 0.00 -0.04 0.00 0.00 63.50 64.29 2hiy n PRO 69 Cb 0.58 -1.84 0.57 0.00 -0.04 0.00 0.00 33.50 32.77 2hiy n PRO 69 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2hiy n PHE 70 N -2.10 0.00 -2.93 0.54 1.16 -1.26 -4.41 117.46 108.45 2hiy n PHE 70 Ca 0.00 0.00 -0.44 0.00 -1.87 0.00 0.00 57.45 55.15 2hiy n PHE 70 Cb 0.11 -0.44 -0.04 0.00 -1.61 0.00 0.00 39.48 37.50 2hiy n PHE 70 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2hiy s ILE 71 N -2.89 4.51 -0.96 1.97 1.01 -0.06 -4.81 121.20 119.98 2hiy s ILE 71 Ca 0.15 -0.70 0.08 0.00 0.00 0.00 0.00 60.65 60.18 2hiy s ILE 71 Cb 0.17 -4.65 0.07 0.00 0.01 0.00 0.00 42.46 38.06 2hiy s ILE 71 CO 0.44 -1.38 0.76 0.00 0.00 0.00 0.00 174.94 174.76 2hiy n GLN 72 N 7.18 0.18 -3.72 2.79 6.02 -1.26 -4.74 117.38 123.83 2hiy n GLN 72 Ca -0.01 -1.00 -0.14 0.00 -0.01 0.00 0.00 57.00 55.84 2hiy n GLN 72 Cb 0.45 -1.15 -0.09 0.00 1.02 0.00 0.00 30.24 30.47 2hiy n GLN 72 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2hiy s SER 73 N -0.66 -0.40 0.04 1.08 0.01 -1.26 -5.08 113.70 107.43 2hiy s SER 73 Ca 0.09 0.67 -0.09 0.00 1.31 0.00 0.00 55.95 57.93 2hiy s SER 73 Cb 0.07 0.72 0.00 0.00 0.21 0.00 0.00 66.02 67.01 2hiy s SER 73 CO 0.10 -0.26 0.18 0.72 0.41 0.00 0.00 173.24 174.39 2hiy s PHE 74 N -0.26 0.07 -0.11 2.43 -0.12 -1.26 -4.43 117.98 114.30 2hiy s PHE 74 Ca -0.04 -0.31 -0.10 0.00 -0.05 0.00 0.00 56.93 56.43 2hiy s PHE 74 Cb -0.03 -0.04 -0.05 0.00 -0.63 0.00 0.00 43.02 42.27 2hiy s PHE 74 CO 0.02 -0.42 0.22 -1.12 -0.05 0.00 0.00 175.22 173.87 2hiy s SER 75 N -2.10 6.48 -0.08 1.98 0.01 0.13 -0.78 113.70 119.32 2hiy s SER 75 Ca -0.05 0.57 -0.03 0.00 1.31 0.00 0.00 55.95 57.75 2hiy s SER 75 Cb -0.01 -2.13 0.04 0.00 0.21 0.00 0.00 66.02 64.13 2hiy s SER 75 CO -0.04 0.32 0.05 -0.22 0.41 0.00 0.00 173.24 173.76 2hiy s LEU 76 N -0.68 0.35 0.00 2.44 2.96 -1.26 -0.86 118.68 121.63 2hiy s LEU 76 Ca 0.17 -0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 53.88 2hiy s LEU 76 Cb -0.13 -0.26 -0.00 0.00 0.50 0.00 0.00 46.19 46.30 2hiy s LEU 76 CO 0.06 -0.26 0.08 -1.48 -1.32 0.00 0.00 176.35 173.42 2hiy s LEU 77 N 2.10 1.79 0.49 -0.68 0.05 -0.57 -4.98 118.68 116.88 2hiy s LEU 77 Ca 0.04 -0.22 0.01 0.00 0.05 0.00 0.00 54.13 54.01 2hiy s LEU 77 Cb -0.13 0.42 0.01 0.00 -2.05 0.00 0.00 46.19 44.44 2hiy s LEU 77 CO -0.05 -0.28 0.71 -0.94 -0.55 0.00 0.00 176.35 175.24 2hiy s SER 78 N -1.12 5.62 0.18 1.48 1.04 -1.26 -0.40 113.70 119.23 2hiy s SER 78 Ca -0.12 0.18 -0.13 0.00 0.48 0.00 0.00 55.95 56.35 2hiy s SER 78 Cb -0.07 -1.28 0.16 0.00 0.10 0.00 0.00 66.02 64.93 2hiy s SER 78 CO 0.00 -0.87 1.73 0.25 0.98 0.00 0.00 173.24 175.34 2hiy h LEU 79 N 0.27 0.09 -0.57 2.42 5.85 -1.52 -1.31 115.31 120.53 2hiy h LEU 79 Ca -0.45 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.42 2hiy h LEU 79 Cb 1.27 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.31 2hiy h LEU 79 CO 0.55 0.08 0.24 -0.08 -0.34 0.00 0.00 178.44 178.89 2hiy h GLU 80 N 0.29 0.42 -0.55 1.25 4.81 -1.95 0.90 114.58 119.76 2hiy h GLU 80 Ca 0.23 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 2hiy h GLU 80 Cb 0.27 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 2hiy h GLU 80 CO -0.27 0.28 0.32 -0.44 -0.73 0.00 0.00 179.01 178.17 2hiy h ASP 81 N 0.44 0.50 -0.29 1.04 3.32 -1.82 -1.28 116.42 118.33 2hiy h ASP 81 Ca 0.28 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.26 2hiy h ASP 81 Cb 0.30 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 2hiy h ASP 81 CO -0.26 0.34 -0.14 0.15 -1.72 0.00 0.00 179.24 177.62 2hiy h PHE 82 N 0.62 0.69 -0.94 4.55 3.57 -0.44 -1.80 116.94 123.19 2hiy h PHE 82 Ca 0.23 -0.17 0.06 0.00 3.53 0.00 0.00 57.97 61.61 2hiy h PHE 82 Cb 0.06 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.58 2hiy h PHE 82 CO -0.07 0.84 0.60 0.93 -2.23 0.00 0.00 178.31 178.38 2hiy h GLU 83 N 0.35 1.07 -0.82 1.11 5.08 -0.67 -0.18 114.58 120.53 2hiy h GLU 83 Ca 0.06 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2hiy h GLU 83 Cb 0.65 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 2hiy h GLU 83 CO 0.04 0.71 0.43 0.00 -1.00 0.00 0.00 179.01 179.19 2hiy h ALA 84 N 1.42 1.22 -0.58 3.43 0.00 -1.00 -2.10 119.26 121.65 2hiy h ALA 84 Ca 0.40 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2hiy h ALA 84 Cb 0.13 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2hiy h ALA 84 CO -0.16 0.62 0.10 1.49 0.00 0.00 0.00 179.25 181.30 2hiy h GLU 85 N 1.15 0.92 0.00 0.00 4.57 -0.38 -2.70 114.58 118.14 2hiy h GLU 85 Ca 0.29 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2hiy h GLU 85 Cb 0.05 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 2hiy h GLU 85 CO -0.04 0.85 0.00 1.28 -1.18 0.00 0.00 179.01 179.92 2hiy n LEU 86 N -4.24 0.68 -0.11 1.64 4.77 -0.19 -1.56 117.00 117.99 2hiy n LEU 86 Ca 0.04 0.69 0.14 0.00 -0.03 0.00 0.00 56.01 56.85 2hiy n LEU 86 Cb 0.26 -0.63 0.67 0.00 -2.33 0.00 0.00 43.42 41.40 2hiy n LEU 86 CO 0.41 -0.65 0.93 -0.62 -1.33 0.00 0.00 177.39 176.13 2hiy n GLU 87 N -2.27 0.77 -2.81 3.23 1.02 -0.99 -4.06 120.64 115.53 2hiy n GLU 87 Ca 0.01 -0.22 -0.01 0.00 -0.02 0.00 0.00 57.16 56.92 2hiy n GLU 87 Cb 0.20 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.17 2hiy n GLU 87 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2hiy n ASN 88 N -0.92 1.41 -4.75 1.62 5.15 -0.60 -5.10 115.26 112.06 2hiy n ASN 88 Ca 0.16 -2.12 -0.41 0.00 -0.60 0.00 0.00 54.58 51.62 2hiy n ASN 88 Cb 0.25 -0.43 -0.04 0.00 -0.53 0.00 0.00 39.78 39.04 2hiy n ASN 88 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2hiy s LEU 89 N -3.73 4.50 0.64 1.20 1.43 -1.22 -4.98 118.68 116.52 2hiy s LEU 89 Ca 0.26 2.32 -0.18 0.00 -1.03 0.00 0.00 54.13 55.50 2hiy s LEU 89 Cb 0.34 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.93 2hiy s LEU 89 CO -0.03 -0.26 1.30 -2.84 0.23 0.00 0.00 176.35 174.74 2hiy s PRO 90 N -1.13 2.57 0.46 1.29 0.02 -1.26 -4.88 135.00 132.08 2hiy s PRO 90 Ca 0.48 2.09 0.21 0.00 0.02 0.00 0.00 61.00 63.79 2hiy s PRO 90 Cb -0.33 -1.87 1.13 0.00 0.02 0.00 0.00 34.50 33.45 2hiy s PRO 90 CO 0.41 -1.59 1.97 0.00 -0.33 0.00 0.00 177.00 177.47 2hiy h ALA 91 N 0.59 1.35 0.00 -1.55 0.00 -2.05 -1.56 119.26 116.05 2hiy h ALA 91 Ca -0.51 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2hiy h ALA 91 Cb 1.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2hiy h ALA 91 CO 0.53 0.26 0.00 -2.67 0.00 0.00 0.00 179.25 177.37 2hiy n TRP 92 N -3.84 0.46 0.23 0.00 4.27 -1.26 -3.73 117.44 113.56 2hiy n TRP 92 Ca -0.02 0.14 0.06 0.00 -3.89 0.00 0.00 57.50 53.80 2hiy n TRP 92 Cb 0.30 -0.73 0.53 0.00 -1.36 0.00 0.00 31.31 30.05 2hiy n TRP 92 CO 0.00 0.00 0.00 2.35 -2.29 0.00 0.00 177.69 177.75 2hiy h TRP 93 N 0.00 0.00 -0.01 -2.67 2.91 -1.64 -1.92 115.95 112.62 2hiy h TRP 93 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 2hiy h TRP 93 Cb 0.54 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.19 2hiy h TRP 93 CO 0.00 0.19 -0.15 -1.13 -1.03 0.00 0.00 178.44 176.32 2hiy n SER 94 N -4.20 0.73 -4.91 2.65 3.41 -1.24 -4.94 113.62 105.11 2hiy n SER 94 Ca -0.02 -0.77 -0.28 0.00 -0.26 0.00 0.00 58.87 57.54 2hiy n SER 94 Cb 0.25 0.01 0.05 0.00 -0.26 0.00 0.00 64.21 64.25 2hiy n SER 94 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2hiy s ARG 95 N -2.43 2.71 -1.09 4.33 0.52 -0.72 -4.95 118.95 117.32 2hiy s ARG 95 Ca 0.29 0.09 -0.06 0.00 -0.52 0.00 0.00 55.73 55.52 2hiy s ARG 95 Cb 0.20 -2.16 0.01 0.00 0.52 0.00 0.00 34.95 33.52 2hiy s ARG 95 CO 0.48 -0.95 2.75 -3.47 0.02 0.00 0.00 175.30 174.12 2hiy n ASP 96 N -2.81 7.62 -4.78 0.23 2.03 -1.26 -4.94 116.55 112.64 2hiy n ASP 96 Ca 0.06 -2.94 -0.34 0.00 0.52 0.00 0.00 54.79 52.10 2hiy n ASP 96 Cb 0.58 -1.39 0.03 0.00 -0.72 0.00 0.00 41.12 39.62 2hiy n ASP 96 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2hiy s LEU 97 N -1.33 3.52 0.19 -2.67 1.02 -1.26 -4.95 118.68 113.20 2hiy s LEU 97 Ca 0.60 2.02 -0.12 0.00 0.02 0.00 0.00 54.13 56.65 2hiy s LEU 97 Cb 0.24 -4.56 0.14 0.00 0.02 0.00 0.00 46.19 42.03 2hiy s LEU 97 CO -0.10 -1.42 1.81 0.00 0.02 0.00 0.00 176.35 176.66 2hiy h ALA 98 N 0.46 0.72 -3.39 4.21 0.00 -0.91 -3.43 119.26 116.93 2hiy h ALA 98 Ca -0.48 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.23 2hiy h ALA 98 Cb 1.25 -0.13 -0.28 0.00 0.00 0.00 0.00 17.79 18.62 2hiy h ALA 98 CO 0.55 0.02 -0.58 1.03 0.00 0.00 0.00 179.25 180.27 2hiy s ARG 99 N -6.13 0.13 -0.08 0.00 0.52 -0.84 -5.00 118.95 107.57 2hiy s ARG 99 Ca -0.13 0.22 -0.01 0.00 -0.52 0.00 0.00 55.73 55.29 2hiy s ARG 99 Cb 0.14 0.01 0.03 0.00 0.52 0.00 0.00 34.95 35.65 2hiy s ARG 99 CO 0.74 -0.05 -0.03 0.15 0.02 0.00 0.00 175.30 176.13 2hiy s LYS 100 N 0.32 0.91 0.13 3.54 1.02 -1.26 -0.49 119.74 123.91 2hiy s LYS 100 Ca -0.02 -0.03 0.07 0.00 0.02 0.00 0.00 55.97 56.00 2hiy s LYS 100 Cb -0.03 -1.13 -0.04 0.00 -0.52 0.00 0.00 37.83 36.11 2hiy s LYS 100 CO -0.01 -0.25 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.50 2hiy s ASP 101 N 1.71 2.21 -0.09 2.83 1.01 -0.54 -1.24 116.67 122.55 2hiy s ASP 101 Ca 0.02 -0.81 0.04 0.00 0.71 0.00 0.00 52.55 52.50 2hiy s ASP 101 Cb -0.13 -0.10 0.00 0.00 1.01 0.00 0.00 42.92 43.71 2hiy s ASP 101 CO -0.05 -0.10 -0.22 0.12 0.21 0.00 0.00 175.17 175.13 2hiy s PHE 102 N -2.05 2.34 -0.51 4.23 5.36 0.81 -0.82 117.98 127.35 2hiy s PHE 102 Ca 0.10 -0.93 -0.15 0.00 -0.96 0.00 0.00 56.93 54.99 2hiy s PHE 102 Cb -0.05 -1.58 0.11 0.00 -0.34 0.00 0.00 43.02 41.16 2hiy s PHE 102 CO 0.04 -0.38 0.45 -0.51 -1.46 0.00 0.00 175.22 173.36 2hiy s LEU 103 N 0.37 5.96 0.09 6.12 1.02 0.03 -1.34 118.68 130.93 2hiy s LEU 103 Ca -0.17 -1.66 -0.30 0.00 0.02 0.00 0.00 54.13 52.02 2hiy s LEU 103 Cb -0.17 -2.18 -0.05 0.00 0.02 0.00 0.00 46.19 43.80 2hiy s LEU 103 CO 0.08 -0.78 1.02 -0.36 0.02 0.00 0.00 176.35 176.33 2hiy s PHE 104 N 1.59 3.68 0.76 0.29 0.08 0.84 -1.04 117.98 124.18 2hiy s PHE 104 Ca 0.03 1.67 -0.11 0.00 0.12 0.00 0.00 56.93 58.64 2hiy s PHE 104 Cb -0.28 -3.16 0.05 0.00 -0.57 0.00 0.00 43.02 39.06 2hiy s PHE 104 CO 0.04 -0.20 1.10 0.71 -0.10 0.00 0.00 175.22 176.77 2hiy s TYR 105 N 0.33 2.52 0.31 0.36 2.02 -0.15 -1.28 117.35 121.47 2hiy s TYR 105 Ca 0.50 1.57 0.10 0.00 -0.37 0.00 0.00 57.07 58.87 2hiy s TYR 105 Cb -0.25 -3.10 -0.05 0.00 -0.40 0.00 0.00 41.96 38.16 2hiy s TYR 105 CO 0.30 -1.85 -0.04 0.95 -1.57 0.00 0.00 175.55 173.35 2hiy s THR 106 N -2.76 2.74 0.22 -0.71 -4.23 -1.26 -4.45 115.64 105.19 2hiy s THR 106 Ca 0.63 -2.06 -0.32 0.00 -1.18 0.00 0.00 61.69 58.77 2hiy s THR 106 Cb -0.18 -2.70 -0.12 0.00 1.34 0.00 0.00 72.50 70.83 2hiy s THR 106 CO 0.53 -0.27 1.69 -1.61 -0.54 0.00 0.00 174.62 174.42 2hiy s GLU 107 N -3.66 4.13 0.00 3.99 0.41 0.04 -1.72 118.70 121.88 2hiy s GLU 107 Ca 0.33 2.59 0.00 0.00 -0.41 0.00 0.00 54.97 57.49 2hiy s GLU 107 Cb -0.02 -3.07 0.00 0.00 -1.78 0.00 0.00 34.13 29.26 2hiy s GLU 107 CO 0.18 -0.73 0.00 0.41 -0.49 0.00 0.00 175.26 174.64 2hiy n GLY 108 N 3.65 1.89 3.74 -1.39 0.00 -1.26 -4.79 105.19 107.03 2hiy n GLY 108 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2hiy n GLY 108 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2hiy n LEU 109 N 0.00 4.21 -4.57 0.99 7.94 -0.70 -4.87 117.00 120.00 2hiy n LEU 109 Ca 0.00 1.19 -0.38 0.00 -1.11 0.00 0.00 56.01 55.71 2hiy n LEU 109 Cb 0.00 -1.56 -0.03 0.00 0.53 0.00 0.00 43.42 42.36 2hiy n LEU 109 CO 0.00 -0.06 1.65 -0.62 -1.11 0.00 0.00 177.39 177.25 2hiy s ASP 110 N 0.04 6.27 0.24 1.96 -1.08 -1.26 -4.81 116.67 118.02 2hiy s ASP 110 Ca 0.58 -1.75 -0.05 0.00 -0.52 0.00 0.00 52.55 50.81 2hiy s ASP 110 Cb -0.52 -2.57 0.25 0.00 -1.46 0.00 0.00 42.92 38.62 2hiy s ASP 110 CO 0.58 -1.74 1.78 0.58 0.52 0.00 0.00 175.17 176.90 2hiy h VAL 111 N 6.33 1.25 -0.89 1.11 2.07 -1.96 -1.90 116.25 122.25 2hiy h VAL 111 Ca 0.28 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 66.99 2hiy h VAL 111 Cb 0.95 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 2hiy h VAL 111 CO 1.39 0.33 0.56 0.44 0.02 0.00 0.00 177.57 180.32 2hiy h ASP 112 N 0.99 0.91 0.01 0.57 3.32 -2.00 0.05 116.42 120.27 2hiy h ASP 112 Ca 0.22 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.14 2hiy h ASP 112 Cb 0.29 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2hiy h ASP 112 CO -0.01 0.59 -0.44 -0.61 -1.72 0.00 0.00 179.24 177.06 2hiy h GLN 113 N 1.05 0.52 -0.41 3.56 5.75 -1.85 -1.75 115.11 121.98 2hiy h GLN 113 Ca 0.38 -0.28 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 2hiy h GLN 113 Cb 0.11 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 2hiy h GLN 113 CO -0.15 0.86 0.27 0.28 -2.65 0.00 0.00 178.83 177.44 2hiy h VAL 114 N 0.43 1.11 -0.28 2.39 2.07 -0.81 -1.12 116.25 120.03 2hiy h VAL 114 Ca 0.03 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2hiy h VAL 114 Cb 0.94 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2hiy h VAL 114 CO 0.08 0.10 0.09 0.40 0.02 0.00 0.00 177.57 178.27 2hiy h ILE 115 N 0.56 1.19 -0.83 4.57 2.04 -0.86 0.31 117.51 124.49 2hiy h ILE 115 Ca 0.15 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 2hiy h ILE 115 Cb -0.06 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 2hiy h ILE 115 CO -0.03 0.21 0.49 0.00 0.00 0.00 0.00 178.15 178.81 2hiy h ALA 116 N 0.93 1.05 -0.06 1.87 0.00 -1.17 -0.20 119.26 121.69 2hiy h ALA 116 Ca 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2hiy h ALA 116 Cb 0.23 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2hiy h ALA 116 CO -0.00 0.53 0.02 1.15 0.00 0.00 0.00 179.25 180.94 2hiy h THR 117 N 1.14 1.17 -0.83 0.00 2.02 -0.85 -2.29 112.91 113.27 2hiy h THR 117 Ca 0.29 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 2hiy h THR 117 Cb -0.02 1.42 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 2hiy h THR 117 CO -0.05 0.15 0.40 0.58 0.37 0.00 0.00 175.52 176.96 2hiy h VAL 118 N -0.10 1.26 0.00 3.16 2.07 -0.74 -1.94 116.25 119.95 2hiy h VAL 118 Ca 0.02 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 2hiy h VAL 118 Cb 0.22 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 2hiy h VAL 118 CO -0.00 0.31 -0.07 -0.33 0.02 0.00 0.00 177.57 177.50 2hiy h GLU 119 N 1.18 0.00 0.00 1.57 5.08 -0.92 -1.89 114.58 119.61 2hiy h GLU 119 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2hiy h GLU 119 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2hiy h GLU 119 CO -0.04 0.07 0.00 -1.13 -1.00 0.00 0.00 179.01 176.92 2hiy n SER 120 N -3.39 0.81 -4.77 1.42 3.41 -0.73 -4.86 113.62 105.51 2hiy n SER 120 Ca -0.01 0.61 -0.39 0.00 -0.26 0.00 0.00 58.87 58.81 2hiy n SER 120 Cb 0.22 -0.81 -0.05 0.00 -0.26 0.00 0.00 64.21 63.31 2hiy n SER 120 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2hiy s LEU 121 N -4.58 4.43 -0.54 1.04 1.43 -0.71 -4.99 118.68 114.76 2hiy s LEU 121 Ca 0.09 2.07 -0.22 0.00 -1.03 0.00 0.00 54.13 55.03 2hiy s LEU 121 Cb 0.11 -3.84 0.05 0.00 0.03 0.00 0.00 46.19 42.55 2hiy s LEU 121 CO 0.54 -0.16 0.84 -0.70 0.23 0.00 0.00 176.35 177.11 2hiy s GLU 122 N -1.77 3.25 0.44 1.70 2.12 -1.26 -5.02 118.70 118.16 2hiy s GLU 122 Ca 0.48 -0.51 -0.22 0.00 0.36 0.00 0.00 54.97 55.07 2hiy s GLU 122 Cb -0.26 -4.08 -0.08 0.00 0.26 0.00 0.00 34.13 29.97 2hiy s GLU 122 CO 0.33 -1.42 1.07 -0.51 -0.54 0.00 0.00 175.26 174.18 2hiy s LEU 123 N 3.52 4.01 0.00 2.70 1.43 -1.26 -4.40 118.68 124.68 2hiy s LEU 123 Ca 0.25 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 2hiy s LEU 123 Cb -0.15 -4.33 0.00 0.00 0.03 0.00 0.00 46.19 41.74 2hiy s LEU 123 CO 0.16 -0.68 0.00 0.29 0.23 0.00 0.00 176.35 176.35 2hiy n LYS 124 N -0.47 0.00 -2.38 1.70 4.76 -1.26 -4.96 118.16 115.54 2hiy n LYS 124 Ca 0.07 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.08 2hiy n LYS 124 Cb 0.50 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.70 2hiy n LYS 124 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2hiy n ASP 125 N 0.00 5.26 -3.54 4.39 2.03 -1.26 -4.81 116.55 118.61 2hiy n ASP 125 Ca 0.00 -3.14 -0.09 0.00 0.52 0.00 0.00 54.79 52.08 2hiy n ASP 125 Cb 0.00 -1.46 -0.02 0.00 -0.72 0.00 0.00 41.12 38.93 2hiy n ASP 125 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2hiy s GLU 126 N 0.05 1.08 0.02 -0.67 -1.05 -1.26 -2.17 118.70 114.69 2hiy s GLU 126 Ca 0.39 -0.45 0.00 0.00 -0.15 0.00 0.00 54.97 54.76 2hiy s GLU 126 Cb 0.09 0.46 -0.02 0.00 -0.44 0.00 0.00 34.13 34.23 2hiy s GLU 126 CO 0.01 -0.48 -0.04 0.14 0.95 0.00 0.00 175.26 175.85 2hiy s VAL 127 N -3.39 0.18 0.03 1.83 -7.23 -0.13 -4.99 120.40 106.71 2hiy s VAL 127 Ca 0.05 -0.90 -0.03 0.00 -1.81 0.00 0.00 61.98 59.29 2hiy s VAL 127 Cb -0.01 -0.31 -0.02 0.00 0.56 0.00 0.00 36.38 36.59 2hiy s VAL 127 CO -0.08 -0.46 0.03 -1.48 -0.31 0.00 0.00 175.10 172.81 2hiy s LEU 128 N -1.42 2.07 -0.04 1.32 0.05 -1.26 -0.44 118.68 118.96 2hiy s LEU 128 Ca -0.14 -0.62 -0.01 0.00 0.05 0.00 0.00 54.13 53.41 2hiy s LEU 128 Cb -0.10 0.37 0.03 0.00 -2.05 0.00 0.00 46.19 44.45 2hiy s LEU 128 CO -0.01 -0.47 0.08 -0.47 -0.55 0.00 0.00 176.35 174.94 2hiy s TYR 129 N -2.54 -0.05 -0.48 3.48 5.04 -0.11 -4.99 117.35 117.70 2hiy s TYR 129 Ca -0.06 0.28 -0.26 0.00 -2.44 0.00 0.00 57.07 54.59 2hiy s TYR 129 Cb -0.02 -0.17 0.03 0.00 0.35 0.00 0.00 41.96 42.15 2hiy s TYR 129 CO -0.05 -0.12 0.97 -0.06 -1.34 0.00 0.00 175.55 174.96 2hiy s PHE 130 N 1.10 2.87 0.08 4.97 0.08 -1.26 -1.09 117.98 124.73 2hiy s PHE 130 Ca -0.09 0.39 -0.00 0.00 0.12 0.00 0.00 56.93 57.35 2hiy s PHE 130 Cb -0.12 -4.08 0.02 0.00 -0.57 0.00 0.00 43.02 38.26 2hiy s PHE 130 CO -0.04 -1.18 0.11 0.41 -0.10 0.00 0.00 175.22 174.42 2hiy n GLY 131 N 4.95 0.78 0.15 4.36 0.00 0.72 -5.01 105.19 111.14 2hiy n GLY 131 Ca 0.07 -1.97 -0.18 0.00 0.00 0.00 0.00 46.02 43.94 2hiy n GLY 131 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2hiy h LYS 132 N 0.00 0.45 -0.01 1.61 1.63 -1.95 -3.34 116.57 114.95 2hiy h LYS 132 Ca -0.04 -0.60 0.00 0.00 -0.85 0.00 0.00 60.65 59.16 2hiy h LYS 132 Cb 0.13 0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 2hiy h LYS 132 CO 0.04 1.25 -0.59 1.28 -3.45 0.00 0.00 179.45 177.97 2hiy n LEU 133 N -3.70 1.40 0.00 5.20 4.77 -1.26 -4.99 117.00 118.43 2hiy n LEU 133 Ca -0.10 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 2hiy n LEU 133 Cb 0.95 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 2hiy n LEU 133 CO 0.55 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 2hiy n GLY 134 N 1.44 -0.60 3.23 -0.72 0.00 -1.26 -0.97 105.19 106.31 2hiy n GLY 134 Ca 0.08 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 2hiy n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hiy s ILE 135 N -3.00 2.52 0.00 -0.61 1.01 -0.21 -0.20 121.20 120.71 2hiy s ILE 135 Ca 0.00 -0.81 -0.27 0.00 0.00 0.00 0.00 60.65 59.57 2hiy s ILE 135 Cb 0.00 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 2hiy s ILE 135 CO 0.00 0.52 0.84 -0.36 0.00 0.00 0.00 174.94 175.93 2hiy s PHE 136 N 0.92 3.67 -0.17 3.97 0.08 -0.25 -0.79 117.98 125.42 2hiy s PHE 136 Ca -0.04 1.51 -0.04 0.00 0.12 0.00 0.00 56.93 58.49 2hiy s PHE 136 Cb -0.15 -2.94 0.07 0.00 -0.57 0.00 0.00 43.02 39.43 2hiy s PHE 136 CO -0.02 0.12 0.16 -0.46 -0.10 0.00 0.00 175.22 174.91 2hiy s TRP 137 N 0.55 -0.07 -0.04 0.36 -0.11 0.00 -0.93 118.94 118.69 2hiy s TRP 137 Ca 0.43 0.08 0.01 0.00 1.22 0.00 0.00 56.10 57.84 2hiy s TRP 137 Cb -0.20 -0.47 -0.03 0.00 -1.50 0.00 0.00 33.47 31.26 2hiy s TRP 137 CO 0.24 -0.50 -0.03 0.20 -4.62 0.00 0.00 176.95 172.23 2hiy s GLY 138 N 2.25 1.79 -0.16 5.86 0.00 0.42 -1.47 107.32 116.00 2hiy s GLY 138 Ca 0.04 -0.90 0.02 0.00 0.00 0.00 0.00 44.72 43.88 2hiy s GLY 138 CO -0.10 -0.71 -0.20 0.54 0.00 0.00 0.00 173.10 172.63 2hiy s LYS 139 N -1.12 3.04 0.12 2.90 3.01 0.35 -0.96 119.74 127.09 2hiy s LYS 139 Ca 0.15 -0.83 -0.12 0.00 -1.01 0.00 0.00 55.97 54.16 2hiy s LYS 139 Cb -0.11 -2.51 -0.09 0.00 -1.01 0.00 0.00 37.83 34.10 2hiy s LYS 139 CO 0.05 -0.08 1.40 0.74 0.51 0.00 0.00 175.35 177.97 2hiy h PHE 140 N 7.54 1.09 -3.73 3.18 0.04 -1.72 -2.11 116.94 121.22 2hiy h PHE 140 Ca -0.37 -0.39 -0.25 0.00 2.80 0.00 0.00 57.97 59.76 2hiy h PHE 140 Cb 1.17 -0.21 -0.29 0.00 2.20 0.00 0.00 35.95 38.83 2hiy h PHE 140 CO 0.48 1.22 -0.72 0.45 -0.60 0.00 0.00 178.31 179.13 2hiy s SER 141 N -6.92 0.08 0.34 2.17 0.15 -1.26 -1.85 113.70 106.40 2hiy s SER 141 Ca -0.11 -0.01 0.03 0.00 0.70 0.00 0.00 55.95 56.56 2hiy s SER 141 Cb 0.10 -0.02 0.64 0.00 -1.71 0.00 0.00 66.02 65.03 2hiy s SER 141 CO 0.89 -0.00 1.96 -0.08 1.20 0.00 0.00 173.24 177.20 2hiy h GLU 142 N 6.23 0.85 0.00 5.44 4.81 -1.94 -0.88 114.58 129.09 2hiy h GLU 142 Ca -0.26 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 58.83 2hiy h GLU 142 Cb 1.20 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 2hiy h GLU 142 CO 0.51 0.56 -0.42 0.93 -0.73 0.00 0.00 179.01 179.86 2hiy h GLU 143 N 0.88 0.00 -0.01 1.92 3.07 -2.02 -3.08 114.58 115.34 2hiy h GLU 143 Ca 0.32 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.18 2hiy h GLU 143 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 2hiy h GLU 143 CO -0.10 0.42 -0.15 -1.13 -1.40 0.00 0.00 179.01 176.65 2hiy n SER 144 N -3.82 1.79 -0.29 1.42 3.41 -1.00 -4.66 113.62 110.47 2hiy n SER 144 Ca -0.01 -1.40 0.06 0.00 -0.26 0.00 0.00 58.87 57.26 2hiy n SER 144 Cb 0.48 0.25 0.21 0.00 -0.26 0.00 0.00 64.21 64.88 2hiy n SER 144 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 2hiy h TYR 145 N 2.11 0.78 0.00 7.33 3.20 -1.07 -1.40 116.97 127.91 2hiy h TYR 145 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2hiy h TYR 145 Cb 0.52 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.57 2hiy h TYR 145 CO 0.00 0.22 0.00 -1.13 -1.64 0.00 0.00 178.16 175.61 2hiy n SER 146 N -4.84 0.11 -0.77 -2.11 3.41 -1.26 -1.74 113.62 106.41 2hiy n SER 146 Ca 0.16 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 2hiy n SER 146 Cb 0.39 -0.55 0.08 0.00 -0.26 0.00 0.00 64.21 63.88 2hiy n SER 146 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2hiy n LYS 147 N -1.62 1.89 -2.18 4.33 5.02 -0.53 -4.69 118.16 120.38 2hiy n LYS 147 Ca 0.03 -1.55 -0.33 0.00 -2.02 0.00 0.00 58.31 54.44 2hiy n LYS 147 Cb 0.16 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 2hiy n LYS 147 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2hiy s THR 148 N -2.18 3.70 0.37 -0.18 -4.23 -0.71 -4.72 115.64 107.69 2hiy s THR 148 Ca 0.25 0.89 0.06 0.00 -1.18 0.00 0.00 61.69 61.71 2hiy s THR 148 Cb 0.19 -3.37 0.21 0.00 1.34 0.00 0.00 72.50 70.88 2hiy s THR 148 CO 0.40 -0.39 1.97 0.00 -0.54 0.00 0.00 174.62 176.06 2hiy h ALA 149 N 0.78 1.54 -0.36 3.99 0.00 -1.90 -0.40 119.26 122.92 2hiy h ALA 149 Ca -0.48 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.37 2hiy h ALA 149 Cb 1.23 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 2hiy h ALA 149 CO 0.58 0.35 0.07 -0.92 0.00 0.00 0.00 179.25 179.33 2hiy h TYR 150 N 0.52 0.12 -0.12 0.00 3.20 -1.92 0.24 116.97 119.02 2hiy h TYR 150 Ca 0.13 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.86 2hiy h TYR 150 Cb 0.13 -0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.41 2hiy h TYR 150 CO 0.01 0.02 -0.53 1.25 -1.64 0.00 0.00 178.16 177.27 2hiy h HIS 151 N 0.20 0.77 0.00 -3.82 2.76 -1.71 -3.23 115.15 110.12 2hiy h HIS 151 Ca 0.17 -0.33 -0.23 0.00 -2.20 0.00 0.00 60.37 57.78 2hiy h HIS 151 Cb 0.19 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 28.99 2hiy h HIS 151 CO -0.19 1.12 -1.28 0.87 -1.30 0.00 0.00 177.93 177.15 2hiy h LYS 152 N 0.21 0.00 0.00 5.26 1.57 -0.95 -3.41 116.57 119.24 2hiy h LYS 152 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2hiy h LYS 152 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2hiy h LYS 152 CO 0.11 0.70 -0.58 0.66 -0.57 0.00 0.00 179.45 179.76 2hiy n TYR 153 N -3.18 0.00 -0.29 -1.35 4.01 0.06 -4.76 117.16 111.65 2hiy n TYR 153 Ca -0.07 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.67 2hiy n TYR 153 Cb 0.96 0.00 0.20 0.00 -0.31 0.00 0.00 39.34 40.19 2hiy n TYR 153 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2hiy h LEU 154 N 0.00 0.97 -1.68 7.72 5.85 -1.54 -0.70 115.31 125.92 2hiy h LEU 154 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2hiy h LEU 154 Cb 0.00 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.80 2hiy h LEU 154 CO 0.00 0.68 0.00 0.25 -0.34 0.00 0.00 178.44 179.03 2hiy h LEU 155 N 1.13 0.00 0.00 2.25 5.85 -1.86 -2.57 115.31 120.12 2hiy h LEU 155 Ca 0.34 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.06 2hiy h LEU 155 Cb -0.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.98 2hiy h LEU 155 CO -0.09 0.00 -0.03 0.11 -0.34 0.00 0.00 178.44 178.09 2hiy h LYS 156 N 0.00 0.00 -6.84 1.25 1.57 -1.44 -3.47 116.57 107.64 2hiy h LYS 156 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 2hiy h LYS 156 Cb 0.23 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.56 2hiy h LYS 156 CO 0.00 0.00 0.48 0.14 -0.57 0.00 0.00 179.45 179.50 2hiy s VAL 157 N -3.19 3.46 0.54 0.50 -7.23 -0.97 -4.91 120.40 108.60 2hiy s VAL 157 Ca 0.08 1.41 0.32 0.00 -1.81 0.00 0.00 61.98 61.97 2hiy s VAL 157 Cb 0.07 -3.87 0.35 0.00 0.56 0.00 0.00 36.38 33.49 2hiy s VAL 157 CO 0.66 0.29 2.21 -0.65 -0.31 0.00 0.00 175.10 177.30 2hiy h PRO 158 N 3.56 0.00 -0.00 4.82 0.11 -1.91 -2.67 132.00 135.91 2hiy h PRO 158 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2hiy h PRO 158 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2hiy h PRO 158 CO 0.66 0.04 -0.06 1.97 -0.21 0.00 0.00 178.00 180.40 2hiy n PHE 159 N -3.64 0.00 -0.24 0.65 1.16 -1.26 -4.52 117.46 109.62 2hiy n PHE 159 Ca -0.03 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.58 2hiy n PHE 159 Cb 0.13 -0.17 0.15 0.00 -1.61 0.00 0.00 39.48 37.98 2hiy n PHE 159 CO 0.00 0.00 0.00 -0.92 -1.87 0.00 0.00 176.76 173.97 2hiy h TYR 160 N 0.41 0.46 0.00 2.97 3.20 -1.78 0.11 116.97 122.34 2hiy h TYR 160 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2hiy h TYR 160 Cb 0.29 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.46 2hiy h TYR 160 CO 0.00 0.08 0.00 0.54 -1.64 0.00 0.00 178.16 177.14 2hiy n ARG 161 N -5.00 0.99 -0.05 1.82 1.74 -1.26 -3.47 116.66 111.43 2hiy n ARG 161 Ca 0.12 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.26 2hiy n ARG 161 Cb 0.35 -1.25 0.09 0.00 -1.02 0.00 0.00 32.46 30.63 2hiy n ARG 161 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2hiy n HIS 162 N -0.75 0.00 -4.26 -1.55 8.25 0.39 -4.78 115.22 112.52 2hiy n HIS 162 Ca 0.12 -0.79 -0.17 0.00 -0.26 0.00 0.00 57.72 56.61 2hiy n HIS 162 Cb 0.06 -0.11 -0.11 0.00 1.12 0.00 0.00 29.99 30.95 2hiy n HIS 162 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2hiy s ILE 163 N -2.12 1.37 -0.23 1.59 -4.36 -1.21 -4.03 121.20 112.22 2hiy s ILE 163 Ca 0.20 -1.85 -0.03 0.00 -0.26 0.00 0.00 60.65 58.70 2hiy s ILE 163 Cb 0.17 -1.66 0.00 0.00 1.25 0.00 0.00 42.46 42.22 2hiy s ILE 163 CO 0.02 -0.49 -0.04 0.42 0.24 0.00 0.00 174.94 175.08 2hiy s THR 164 N -2.45 3.25 -0.17 8.37 -4.23 -0.41 -4.83 115.64 115.16 2hiy s THR 164 Ca 0.12 -0.64 -0.08 0.00 -1.18 0.00 0.00 61.69 59.92 2hiy s THR 164 Cb -0.03 -2.52 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 2hiy s THR 164 CO 0.03 0.36 0.09 -0.63 -0.54 0.00 0.00 174.62 173.93 2hiy s ILE 165 N 1.44 5.05 0.03 2.99 1.01 -1.26 -0.11 121.20 130.35 2hiy s ILE 165 Ca 0.04 0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.77 2hiy s ILE 165 Cb -0.15 -3.26 -0.02 0.00 0.01 0.00 0.00 42.46 39.04 2hiy s ILE 165 CO -0.04 0.49 -0.08 -0.13 0.00 0.00 0.00 174.94 175.18 2hiy s ARG 166 N 0.07 0.54 0.93 2.79 1.81 -0.45 -5.00 118.95 119.65 2hiy s ARG 166 Ca 0.07 -0.58 -0.14 0.00 -1.72 0.00 0.00 55.73 53.36 2hiy s ARG 166 Cb -0.12 -0.40 0.16 0.00 -0.45 0.00 0.00 34.95 34.14 2hiy s ARG 166 CO 0.00 0.09 1.18 0.54 -0.68 0.00 0.00 175.30 176.43 2hiy s ASN 167 N -1.09 3.33 0.37 0.23 2.20 -1.26 -0.13 114.94 118.59 2hiy s ASN 167 Ca -0.05 0.76 0.08 0.00 -0.94 0.00 0.00 52.86 52.71 2hiy s ASN 167 Cb -0.07 -1.18 0.71 0.00 -2.00 0.00 0.00 41.25 38.71 2hiy s ASN 167 CO 0.00 -2.64 1.89 0.00 -2.94 0.00 0.00 177.10 173.41 2hiy h ALA 168 N -1.56 1.44 -0.23 3.54 0.00 -1.52 -0.16 119.26 120.75 2hiy h ALA 168 Ca -0.48 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 2hiy h ALA 168 Cb 1.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2hiy h ALA 168 CO 0.55 0.39 0.12 -0.22 0.00 0.00 0.00 179.25 180.09 2hiy h LYS 169 N 0.30 0.33 -0.39 0.00 3.64 -1.93 -1.27 116.57 117.25 2hiy h LYS 169 Ca 0.06 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 2hiy h LYS 169 Cb 0.40 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2hiy h LYS 169 CO 0.02 0.31 -0.23 1.15 -2.27 0.00 0.00 179.45 178.43 2hiy h THR 170 N 0.26 1.27 -0.38 1.00 2.02 -1.82 -1.71 112.91 113.56 2hiy h THR 170 Ca 0.08 -1.35 0.07 0.00 0.77 0.00 0.00 66.41 65.98 2hiy h THR 170 Cb 0.09 1.22 -0.06 0.00 -1.74 0.00 0.00 68.15 67.66 2hiy h THR 170 CO -0.01 0.45 -0.04 0.15 0.37 0.00 0.00 175.52 176.44 2hiy h PHE 171 N 0.68 -0.09 -0.78 3.16 3.57 -0.91 0.11 116.94 122.67 2hiy h PHE 171 Ca 0.09 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 2hiy h PHE 171 Cb 0.75 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 2hiy h PHE 171 CO 0.04 -0.11 0.34 0.22 -2.23 0.00 0.00 178.31 176.58 2hiy h ASP 172 N 0.06 1.04 -0.63 0.41 3.58 -1.03 -2.59 116.42 117.26 2hiy h ASP 172 Ca 0.18 -0.14 -0.07 0.00 0.42 0.00 0.00 57.03 57.42 2hiy h ASP 172 Cb 0.27 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 2hiy h ASP 172 CO -0.34 0.90 0.13 0.50 -2.88 0.00 0.00 179.24 177.56 2hiy h LYS 173 N 1.12 1.05 -0.37 0.28 1.63 -0.63 -1.95 116.57 117.69 2hiy h LYS 173 Ca 0.27 -0.25 0.06 0.00 -0.85 0.00 0.00 60.65 59.87 2hiy h LYS 173 Cb 0.16 -0.14 -0.05 0.00 -0.60 0.00 0.00 32.23 31.60 2hiy h LYS 173 CO -0.03 0.94 0.06 0.82 -3.45 0.00 0.00 179.45 177.80 2hiy h ILE 174 N 0.99 0.79 -0.83 2.00 2.04 -0.49 -2.12 117.51 119.90 2hiy h ILE 174 Ca 0.20 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 66.05 2hiy h ILE 174 Cb 0.38 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 2hiy h ILE 174 CO 0.01 0.03 0.51 1.23 0.00 0.00 0.00 178.15 179.93 2hiy h GLY 175 N 0.18 1.23 -1.01 5.37 0.00 -1.10 -1.12 103.07 106.63 2hiy h GLY 175 Ca 0.18 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2hiy h GLY 175 CO -0.25 0.27 0.00 -1.06 0.00 0.00 0.00 176.54 175.51 2hiy n GLN 176 N -4.62 0.07 0.00 4.80 6.02 -0.77 -3.02 117.38 119.85 2hiy n GLN 176 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 2hiy n GLN 176 Cb 0.15 -1.04 0.00 0.00 1.02 0.00 0.00 30.24 30.37 2hiy n GLN 176 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2hiy n LEU 178 N 0.47 0.00 0.00 1.08 4.77 -0.42 -5.11 117.00 117.79 2hiy n LEU 178 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2hiy n LEU 178 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2hiy n LEU 178 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.35