#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 -3.53 0.00 -1.04 -0.34 -4.57 114.28 104.80 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 -0.75 3.92 0.10 -2.82 3.52 -1.26 -1.08 118.95 120.58 2hiy s ARG 3 Ca 0.00 0.34 0.07 0.00 -0.13 0.00 0.00 55.73 56.01 2hiy s ARG 3 Cb 0.00 -3.24 -0.03 0.00 -1.56 0.00 0.00 34.95 30.11 2hiy s ARG 3 CO 0.00 0.64 -0.17 0.71 -0.81 0.00 0.00 175.30 175.67 2hiy s TYR 4 N -0.87 1.49 -0.16 5.12 2.02 0.44 -1.13 117.35 124.26 2hiy s TYR 4 Ca 0.23 -0.47 -0.03 0.00 -0.37 0.00 0.00 57.07 56.42 2hiy s TYR 4 Cb -0.16 -0.81 -0.02 0.00 -0.40 0.00 0.00 41.96 40.57 2hiy s TYR 4 CO 0.12 0.15 -0.05 0.00 -1.57 0.00 0.00 175.55 174.20 2hiy s ALA 5 N -1.52 2.94 -0.27 3.71 0.00 0.42 -1.73 121.76 125.31 2hiy s ALA 5 Ca 0.05 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 2hiy s ALA 5 Cb -0.08 -1.52 0.04 0.00 0.00 0.00 0.00 23.12 21.55 2hiy s ALA 5 CO 0.03 0.18 -0.04 -1.17 0.00 0.00 0.00 175.76 174.77 2hiy s LEU 6 N 0.43 3.48 -0.07 0.00 2.96 0.28 -1.37 118.68 124.39 2hiy s LEU 6 Ca -0.05 -1.04 0.04 0.00 -0.22 0.00 0.00 54.13 52.87 2hiy s LEU 6 Cb -0.14 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 2hiy s LEU 6 CO 0.03 -0.18 -0.20 -0.76 -1.32 0.00 0.00 176.35 173.92 2hiy s LEU 7 N 1.29 2.35 0.16 -0.68 1.43 0.01 -1.07 118.68 122.19 2hiy s LEU 7 Ca -0.02 -0.40 0.08 0.00 -1.03 0.00 0.00 54.13 52.76 2hiy s LEU 7 Cb -0.18 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 2hiy s LEU 7 CO -0.03 0.25 -0.18 0.68 0.23 0.00 0.00 176.35 177.31 2hiy s VAL 8 N -0.20 1.78 0.27 -1.59 -7.23 -0.50 -0.69 120.40 112.23 2hiy s VAL 8 Ca -0.01 -1.92 0.09 0.00 -1.81 0.00 0.00 61.98 58.33 2hiy s VAL 8 Cb -0.13 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.93 2hiy s VAL 8 CO 0.03 -0.34 0.03 0.00 -0.31 0.00 0.00 175.10 174.52 2hiy s ARG 9 N -2.83 2.40 -0.08 4.82 1.04 -1.26 -4.59 118.95 118.45 2hiy s ARG 9 Ca 0.16 -1.36 0.00 0.00 -1.04 0.00 0.00 55.73 53.48 2hiy s ARG 9 Cb -0.05 -2.23 0.00 0.00 -2.04 0.00 0.00 34.95 30.63 2hiy s ARG 9 CO 0.06 0.36 0.00 0.41 -0.04 0.00 0.00 175.30 176.09 2hiy n GLY 10 N -0.95 0.45 3.95 3.88 0.00 -1.26 -4.91 105.19 106.34 2hiy n GLY 10 Ca -0.07 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.84 5.24 -1.42 -0.61 -4.36 -1.26 -4.60 121.20 112.36 2hiy s ILE 11 Ca 0.00 -0.65 -0.08 0.00 -0.26 0.00 0.00 60.65 59.65 2hiy s ILE 11 Cb 0.00 -3.79 0.04 0.00 1.25 0.00 0.00 42.46 39.96 2hiy s ILE 11 CO 0.00 -0.25 0.94 0.59 0.24 0.00 0.00 174.94 176.46 2hiy n ASN 12 N -1.01 -3.90 -4.00 4.36 3.02 0.27 -4.85 115.26 109.15 2hiy n ASN 12 Ca -0.07 -0.74 -0.08 0.00 -0.03 0.00 0.00 54.58 53.66 2hiy n ASN 12 Cb 0.55 -4.22 -0.10 0.00 -0.61 0.00 0.00 39.78 35.41 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 -3.41 0.17 -1.93 2.41 -7.23 -1.18 -4.91 120.40 104.32 2hiy s VAL 13 Ca 0.42 -1.38 0.00 0.00 -1.81 0.00 0.00 61.98 59.21 2hiy s VAL 13 Cb -0.21 -1.13 0.00 0.00 0.56 0.00 0.00 36.38 35.60 2hiy s VAL 13 CO 0.80 -0.76 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 2hiy n GLY 14 N 0.50 1.77 2.44 2.32 0.00 -1.26 -1.47 105.19 109.49 2hiy n GLY 14 Ca -0.17 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.66 0.72 3.31 -0.02 0.00 -1.26 -4.98 105.19 102.29 2hiy n GLY 15 Ca -0.18 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.97 1.28 -1.04 1.61 -2.85 -0.54 -4.92 119.74 111.29 2hiy s LYS 16 Ca 0.00 -1.63 -0.00 0.00 -1.00 0.00 0.00 55.97 53.34 2hiy s LYS 16 Cb 0.00 -0.56 -0.00 0.00 -2.06 0.00 0.00 37.83 35.21 2hiy s LYS 16 CO 0.00 -0.09 0.87 0.09 0.10 0.00 0.00 175.35 176.32 2hiy n ASN 17 N -0.37 -2.15 -4.72 0.03 4.13 -1.26 -3.10 115.26 107.82 2hiy n ASN 17 Ca -0.06 -0.54 -0.41 0.00 1.68 0.00 0.00 54.58 55.25 2hiy n ASN 17 Cb 0.63 -4.54 -0.04 0.00 -1.54 0.00 0.00 39.78 34.30 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 -5.16 4.63 -0.05 3.52 2.20 -1.26 -0.56 119.74 123.05 2hiy s LYS 18 Ca 0.01 1.43 -0.01 0.00 -0.36 0.00 0.00 55.97 57.04 2hiy s LYS 18 Cb -0.00 -3.41 0.03 0.00 -1.51 0.00 0.00 37.83 32.93 2hiy s LYS 18 CO 0.64 0.10 0.02 0.08 -0.36 0.00 0.00 175.35 175.82 2hiy s VAL 19 N 0.45 0.19 0.00 4.02 1.01 -1.26 -4.95 120.40 119.87 2hiy s VAL 19 Ca 0.49 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.67 2hiy s VAL 19 Cb -0.22 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 35.79 2hiy s VAL 19 CO 0.29 0.21 0.00 0.52 0.00 0.00 0.00 175.10 176.12 2hiy n VAL 20 N 4.98 0.00 0.00 2.92 0.31 -1.26 -4.92 118.33 120.35 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 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 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 -0.04 3.52 0.00 -1.26 -1.18 120.51 118.55 2hiy n ALA 22 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2hiy n ALA 22 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 0.29 -0.73 0.00 5.08 -1.99 -2.40 114.58 114.83 2hiy h GLU 23 Ca 0.00 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 2hiy h GLU 23 Cb 0.00 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2hiy h GLU 23 CO 0.00 0.76 0.41 1.25 -1.00 0.00 0.00 179.01 180.44 2hiy h LEU 24 N -0.16 0.90 -0.79 1.33 5.85 -1.55 0.99 115.31 121.88 2hiy h LEU 24 Ca 0.01 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.65 2hiy h LEU 24 Cb 0.75 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 2hiy h LEU 24 CO 0.04 0.72 0.52 0.03 -0.34 0.00 0.00 178.44 179.41 2hiy h ARG 25 N 1.00 1.03 -0.59 1.25 3.08 -1.81 -0.60 114.38 117.74 2hiy h ARG 25 Ca 0.26 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.18 2hiy h ARG 25 Cb 0.01 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 2hiy h ARG 25 CO -0.04 0.68 0.11 0.37 -1.07 0.00 0.00 179.97 180.02 2hiy h GLN 26 N 1.06 0.97 -0.30 0.04 5.75 -0.85 -1.15 115.11 120.64 2hiy h GLN 26 Ca 0.29 -0.25 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2hiy h GLN 26 Cb -0.12 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.30 2hiy h GLN 26 CO -0.06 0.91 0.18 0.93 -2.65 0.00 0.00 178.83 178.14 2hiy h GLU 27 N 0.87 0.40 -0.30 1.69 5.08 -0.38 0.36 114.58 122.30 2hiy h GLU 27 Ca 0.18 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.39 2hiy h GLU 27 Cb 0.40 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2hiy h GLU 27 CO 0.01 0.31 -0.29 -0.07 -1.00 0.00 0.00 179.01 177.97 2hiy h LEU 28 N 0.38 0.65 -0.86 1.33 3.38 -1.03 -0.54 115.31 118.61 2hiy h LEU 28 Ca 0.11 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.85 2hiy h LEU 28 Cb 0.01 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 2hiy h LEU 28 CO -0.02 0.91 0.56 0.74 0.09 0.00 0.00 178.44 180.72 2hiy h THR 29 N 0.54 1.16 0.00 0.22 2.02 -1.01 -1.84 112.91 114.00 2hiy h THR 29 Ca 0.07 -0.38 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 2hiy h THR 29 Cb 0.78 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 2hiy h THR 29 CO 0.06 0.20 -0.19 0.78 0.37 0.00 0.00 175.52 176.74 2hiy h ASN 30 N 1.10 0.00 0.19 4.18 2.35 -0.01 -0.80 115.58 122.59 2hiy h ASN 30 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 2hiy h ASN 30 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 2hiy h ASN 30 CO -0.10 0.19 -0.03 0.18 -1.65 0.00 0.00 177.43 176.02 2hiy n LEU 31 N -3.44 0.36 0.00 1.61 4.77 -0.30 -4.91 117.00 115.09 2hiy n LEU 31 Ca -0.00 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2hiy n LEU 31 Cb 0.38 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2hiy n LEU 31 CO 0.32 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2hiy n GLY 32 N 1.15 0.91 3.80 -0.72 0.00 -0.31 -5.08 105.19 104.94 2hiy n GLY 32 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 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 4.20 0.19 0.99 1.43 -0.74 -5.00 118.68 119.75 2hiy s LEU 33 Ca 0.00 1.77 0.08 0.00 -1.03 0.00 0.00 54.13 54.95 2hiy s LEU 33 Cb 0.00 -4.19 -0.04 0.00 0.03 0.00 0.00 46.19 41.99 2hiy s LEU 33 CO 0.00 -0.17 -0.02 -1.61 0.23 0.00 0.00 176.35 174.78 2hiy s GLU 34 N -2.45 2.33 -1.31 1.70 2.02 -0.48 -4.16 118.70 116.34 2hiy s GLU 34 Ca 0.54 -1.17 -0.03 0.00 0.02 0.00 0.00 54.97 54.33 2hiy s GLU 34 Cb -0.15 -2.30 -0.00 0.00 0.10 0.00 0.00 34.13 31.78 2hiy s GLU 34 CO 0.20 0.44 0.63 1.63 0.02 0.00 0.00 175.26 178.17 2hiy n LYS 35 N -0.18 -3.89 -2.76 1.61 5.02 -1.26 -0.50 118.16 116.19 2hiy n LYS 35 Ca -0.09 0.54 -0.42 0.00 -2.02 0.00 0.00 58.31 56.31 2hiy n LYS 35 Cb 0.56 -4.87 -0.03 0.00 -0.02 0.00 0.00 35.03 30.67 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 -3.73 4.83 0.23 -0.18 1.01 -1.26 -4.35 120.40 116.95 2hiy s VAL 36 Ca 0.07 1.91 0.02 0.00 0.00 0.00 0.00 61.98 63.98 2hiy s VAL 36 Cb -0.02 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 2hiy s VAL 36 CO 0.84 0.03 0.05 -1.61 0.00 0.00 0.00 175.10 174.41 2hiy s GLU 37 N 1.95 1.33 0.17 2.72 2.02 -0.04 -4.98 118.70 121.86 2hiy s GLU 37 Ca 0.45 -1.70 -0.06 0.00 0.02 0.00 0.00 54.97 53.68 2hiy s GLU 37 Cb -0.18 -0.37 -0.02 0.00 0.10 0.00 0.00 34.13 33.66 2hiy s GLU 37 CO 0.17 -0.21 0.23 -1.54 0.02 0.00 0.00 175.26 173.93 2hiy s SER 38 N -3.29 0.11 -0.04 -0.19 1.04 -1.26 -0.62 113.70 109.45 2hiy s SER 38 Ca 0.32 -1.01 0.01 0.00 0.48 0.00 0.00 55.95 55.75 2hiy s SER 38 Cb 0.07 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.61 2hiy s SER 38 CO 0.10 -0.87 -0.06 -0.47 0.98 0.00 0.00 173.24 172.93 2hiy s TYR 39 N -4.01 0.79 0.00 5.02 5.04 -0.40 -5.01 117.35 118.78 2hiy s TYR 39 Ca 0.22 -0.22 0.00 0.00 -2.44 0.00 0.00 57.07 54.63 2hiy s TYR 39 Cb 0.04 -0.66 0.00 0.00 0.35 0.00 0.00 41.96 41.70 2hiy s TYR 39 CO 0.02 -0.17 0.00 0.44 -1.34 0.00 0.00 175.55 174.51 2hiy n ILE 40 N 3.84 0.00 -0.16 3.14 -5.35 -1.26 -4.03 119.36 115.54 2hiy n ILE 40 Ca -0.24 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 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 -3.61 1.25 -0.10 7.28 5.15 -1.26 -4.70 115.26 119.26 2hiy n ASN 41 Ca 0.00 -1.41 0.13 0.00 -0.60 0.00 0.00 54.58 52.70 2hiy n ASN 41 Cb 0.00 0.00 0.44 0.00 -0.53 0.00 0.00 39.78 39.69 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 -0.21 0.58 0.00 1.20 3.41 -1.26 -4.74 113.62 112.60 2hiy n SER 42 Ca 0.00 -0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.17 2hiy n SER 42 Cb 0.16 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 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 1.39 0.74 2.80 5.00 0.00 -1.26 -4.54 105.19 109.30 2hiy n GLY 43 Ca 0.10 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.29 4.10 0.23 1.61 0.01 -1.26 -1.41 114.94 116.95 2hiy s ASN 44 Ca 0.00 -2.06 0.09 0.00 -0.71 0.00 0.00 52.86 50.18 2hiy s ASN 44 Cb 0.00 -1.10 -0.04 0.00 0.41 0.00 0.00 41.25 40.51 2hiy s ASN 44 CO 0.00 -0.36 -0.05 -0.51 -1.51 0.00 0.00 177.10 174.67 2hiy s ILE 45 N 1.06 3.30 0.00 0.60 -1.16 -0.23 -1.27 121.20 123.50 2hiy s ILE 45 Ca 0.12 -1.84 0.02 0.00 -0.51 0.00 0.00 60.65 58.45 2hiy s ILE 45 Cb -0.20 -2.71 -0.01 0.00 0.61 0.00 0.00 42.46 40.15 2hiy s ILE 45 CO -0.14 -0.27 -0.07 -0.36 -2.81 0.00 0.00 174.94 171.29 2hiy s PHE 46 N -2.09 0.63 0.19 3.50 0.08 0.20 -0.55 117.98 119.94 2hiy s PHE 46 Ca 0.29 -0.17 -0.20 0.00 0.12 0.00 0.00 56.93 56.97 2hiy s PHE 46 Cb -0.07 -0.40 0.04 0.00 -0.57 0.00 0.00 43.02 42.02 2hiy s PHE 46 CO 0.18 -0.02 0.57 -0.59 -0.10 0.00 0.00 175.22 175.26 2hiy s PHE 47 N -0.35 -0.27 0.02 0.36 -0.12 -0.71 -0.87 117.98 116.05 2hiy s PHE 47 Ca 0.01 -0.05 0.08 0.00 -0.05 0.00 0.00 56.93 56.92 2hiy s PHE 47 Cb -0.04 0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 42.81 2hiy s PHE 47 CO -0.00 -0.92 -0.24 0.99 -0.05 0.00 0.00 175.22 174.99 2hiy s THR 48 N -3.84 2.27 0.01 -4.49 2.01 0.34 -0.42 115.64 111.53 2hiy s THR 48 Ca 0.06 -1.22 -0.25 0.00 0.31 0.00 0.00 61.69 60.60 2hiy s THR 48 Cb -0.01 -1.86 0.06 0.00 0.01 0.00 0.00 72.50 70.69 2hiy s THR 48 CO -0.05 0.45 0.57 -0.55 -0.69 0.00 0.00 174.62 174.34 2hiy s SER 49 N -1.02 -0.51 0.00 3.53 0.15 -0.24 -1.39 113.70 114.23 2hiy s SER 49 Ca 0.12 0.36 0.25 0.00 0.70 0.00 0.00 55.95 57.37 2hiy s SER 49 Cb -0.10 0.50 0.43 0.00 -1.71 0.00 0.00 66.02 65.14 2hiy s SER 49 CO 0.01 -0.67 1.36 2.30 1.20 0.00 0.00 173.24 177.44 2hiy n ILE 50 N 0.63 0.00 -1.88 6.45 -5.35 -1.26 -1.20 119.36 116.75 2hiy n ILE 50 Ca -0.19 -0.05 -0.35 0.00 -0.27 0.00 0.00 62.75 61.90 2hiy n ILE 50 Cb 0.59 0.46 0.04 0.00 -1.74 0.00 0.00 39.64 39.00 2hiy n ILE 50 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2hiy s ASP 51 N -2.84 5.09 0.77 7.28 1.01 -1.26 -4.65 116.67 122.07 2hiy s ASP 51 Ca 0.15 2.22 -0.13 0.00 0.71 0.00 0.00 52.55 55.50 2hiy s ASP 51 Cb 0.18 -2.58 0.06 0.00 1.01 0.00 0.00 42.92 41.59 2hiy s ASP 51 CO 0.67 -1.65 1.14 -0.94 0.21 0.00 0.00 175.17 174.60 2hiy s SER 52 N -2.02 4.20 0.22 0.27 1.04 -1.26 -4.80 113.70 111.36 2hiy s SER 52 Ca 0.73 2.09 -0.08 0.00 0.48 0.00 0.00 55.95 59.17 2hiy s SER 52 Cb -0.26 -2.56 0.29 0.00 0.10 0.00 0.00 66.02 63.60 2hiy s SER 52 CO 0.37 -2.24 1.81 0.50 0.98 0.00 0.00 173.24 174.65 2hiy h LYS 53 N -0.80 0.71 -0.71 4.02 3.64 -1.99 -0.58 116.57 120.85 2hiy h LYS 53 Ca -0.45 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 2hiy h LYS 53 Cb 1.26 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 2hiy h LYS 53 CO 0.49 0.47 0.31 0.00 -2.27 0.00 0.00 179.45 178.45 2hiy h ALA 54 N 1.38 1.21 -0.68 5.00 0.00 -1.99 0.23 119.26 124.41 2hiy h ALA 54 Ca 0.33 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2hiy h ALA 54 Cb 0.24 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2hiy h ALA 54 CO -0.20 0.59 0.23 1.96 0.00 0.00 0.00 179.25 181.83 2hiy h GLN 55 N 1.01 1.04 -0.55 0.00 4.20 -1.71 -1.99 115.11 117.13 2hiy h GLN 55 Ca 0.24 -0.21 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 2hiy h GLN 55 Cb 0.16 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2hiy h GLN 55 CO -0.03 0.89 0.06 -0.07 -0.67 0.00 0.00 178.83 179.02 2hiy h LEU 56 N 0.98 0.89 -0.42 1.46 3.38 -0.44 -0.76 115.31 120.40 2hiy h LEU 56 Ca 0.22 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2hiy h LEU 56 Cb 0.27 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2hiy h LEU 56 CO -0.01 0.94 0.22 0.58 0.09 0.00 0.00 178.44 180.26 2hiy h VAL 57 N 0.81 1.16 -0.75 1.22 2.07 -0.84 -0.22 116.25 119.70 2hiy h VAL 57 Ca 0.16 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 2hiy h VAL 57 Cb 0.44 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 2hiy h VAL 57 CO 0.02 0.17 0.40 -0.33 0.02 0.00 0.00 177.57 177.85 2hiy h GLU 58 N 0.54 1.04 -0.29 1.57 5.08 -1.20 0.16 114.58 121.48 2hiy h GLU 58 Ca 0.15 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2hiy h GLU 58 Cb 0.08 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2hiy h GLU 58 CO -0.02 0.78 0.19 -0.22 -1.00 0.00 0.00 179.01 178.74 2hiy h LYS 59 N 1.03 0.37 -0.16 2.33 3.64 -0.80 -0.99 116.57 122.00 2hiy h LYS 59 Ca 0.26 -0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.40 2hiy h LYS 59 Cb 0.05 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2hiy h LYS 59 CO -0.04 0.24 -0.74 -0.07 -2.27 0.00 0.00 179.45 176.57 2hiy h LEU 60 N 0.38 0.92 -0.59 5.20 3.38 -0.87 -1.71 115.31 122.02 2hiy h LEU 60 Ca 0.11 -0.62 0.05 0.00 0.09 0.00 0.00 57.88 57.51 2hiy h LEU 60 Cb -0.03 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.40 2hiy h LEU 60 CO -0.03 1.40 0.31 -0.33 0.09 0.00 0.00 178.44 179.88 2hiy h GLU 61 N 0.51 0.57 -0.20 1.13 5.08 -0.86 -0.16 114.58 120.65 2hiy h GLU 61 Ca -0.05 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2hiy h GLU 61 Cb 1.37 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2hiy h GLU 61 CO 0.15 0.38 0.07 1.15 -1.00 0.00 0.00 179.01 179.77 2hiy h THR 62 N 0.59 1.17 0.02 1.13 2.02 -1.10 -1.57 112.91 115.17 2hiy h THR 62 Ca 0.27 -0.52 0.01 0.00 0.77 0.00 0.00 66.41 66.94 2hiy h THR 62 Cb 0.17 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 2hiy h THR 62 CO -0.18 0.17 -0.08 0.15 0.37 0.00 0.00 175.52 175.95 2hiy h PHE 63 N 0.16 -0.21 -0.73 3.16 3.57 -1.06 -2.76 116.94 119.08 2hiy h PHE 63 Ca 0.07 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 2hiy h PHE 63 Cb 0.19 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 2hiy h PHE 63 CO -0.01 -0.13 0.26 0.74 -2.23 0.00 0.00 178.31 176.95 2hiy h PHE 64 N -0.16 1.12 -0.15 0.41 0.04 -1.01 -0.13 116.94 117.07 2hiy h PHE 64 Ca 0.02 -0.09 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 2hiy h PHE 64 Cb 0.18 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 37.99 2hiy h PHE 64 CO -0.14 0.87 0.07 0.00 -0.60 0.00 0.00 178.31 178.51 2hiy h ALA 65 N 1.22 1.85 0.09 2.45 0.00 -1.10 0.61 119.26 124.37 2hiy h ALA 65 Ca 0.24 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.85 2hiy h ALA 65 Cb 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2hiy h ALA 65 CO -0.02 0.13 -1.42 0.28 0.00 0.00 0.00 179.25 178.23 2hiy h VAL 66 N 0.20 0.97 0.00 0.00 2.07 -1.20 -3.40 116.25 114.89 2hiy h VAL 66 Ca 0.05 -2.34 -0.09 0.00 0.82 0.00 0.00 66.70 65.15 2hiy h VAL 66 Cb 0.02 2.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 2hiy h VAL 66 CO -0.01 0.64 -1.83 1.41 0.02 0.00 0.00 177.57 177.81 2hiy n HIS 67 N -3.99 0.00 -3.07 1.57 8.25 -0.09 -4.68 115.22 113.21 2hiy n HIS 67 Ca -0.27 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.00 2hiy n HIS 67 Cb 0.86 -0.49 -0.03 0.00 1.12 0.00 0.00 29.99 31.45 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 -2.22 -1.11 0.33 4.41 4.01 0.15 -5.01 117.16 117.72 2hiy n TYR 68 Ca -0.10 -3.11 0.10 0.00 -0.16 0.00 0.00 57.90 54.63 2hiy n TYR 68 Cb 0.60 0.18 0.43 0.00 -0.31 0.00 0.00 39.34 40.24 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 1.28 0.13 0.00 -0.72 -0.04 -0.83 -0.82 135.00 133.99 2hiy n PRO 69 Ca 0.18 0.45 0.12 0.00 -0.04 0.00 0.00 63.50 64.21 2hiy n PRO 69 Cb 0.58 -1.79 0.54 0.00 -0.04 0.00 0.00 33.50 32.79 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 -2.04 0.00 -2.82 0.54 1.16 -1.26 -4.43 117.46 108.61 2hiy n PHE 70 Ca 0.01 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.16 2hiy n PHE 70 Cb 0.15 -0.48 -0.03 0.00 -1.61 0.00 0.00 39.48 37.51 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 -2.97 4.36 -1.52 1.97 1.01 0.00 -4.81 121.20 119.24 2hiy s ILE 71 Ca 0.13 -0.73 0.13 0.00 0.00 0.00 0.00 60.65 60.17 2hiy s ILE 71 Cb 0.16 -4.78 0.09 0.00 0.01 0.00 0.00 42.46 37.94 2hiy s ILE 71 CO 0.45 -1.56 0.88 0.00 0.00 0.00 0.00 174.94 174.70 2hiy n GLN 72 N 7.61 0.91 -3.75 2.79 6.02 -1.26 -4.76 117.38 124.94 2hiy n GLN 72 Ca 0.10 -1.18 -0.11 0.00 -0.01 0.00 0.00 57.00 55.80 2hiy n GLN 72 Cb 0.47 -1.23 -0.07 0.00 1.02 0.00 0.00 30.24 30.43 2hiy n GLN 72 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2hiy s SER 73 N -1.11 -0.13 0.06 1.08 1.04 -1.26 -5.09 113.70 108.29 2hiy s SER 73 Ca 0.14 -0.21 -0.23 0.00 0.48 0.00 0.00 55.95 56.14 2hiy s SER 73 Cb 0.10 0.37 0.05 0.00 0.10 0.00 0.00 66.02 66.65 2hiy s SER 73 CO 0.18 -0.63 0.53 0.72 0.98 0.00 0.00 173.24 175.02 2hiy s PHE 74 N -2.66 -0.44 -0.12 5.02 -0.12 -1.26 -4.49 117.98 113.91 2hiy s PHE 74 Ca -0.04 0.46 -0.08 0.00 -0.05 0.00 0.00 56.93 57.22 2hiy s PHE 74 Cb -0.00 0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 2hiy s PHE 74 CO -0.04 -0.67 0.15 -1.12 -0.05 0.00 0.00 175.22 173.49 2hiy s SER 75 N -2.07 6.39 -0.10 1.98 0.01 0.13 -1.00 113.70 119.05 2hiy s SER 75 Ca -0.04 0.47 -0.03 0.00 1.31 0.00 0.00 55.95 57.66 2hiy s SER 75 Cb -0.00 -2.08 0.04 0.00 0.21 0.00 0.00 66.02 64.18 2hiy s SER 75 CO -0.03 0.38 0.05 -0.22 0.41 0.00 0.00 173.24 173.83 2hiy s LEU 76 N -0.88 0.43 0.01 2.44 2.96 -1.26 -0.80 118.68 121.59 2hiy s LEU 76 Ca 0.15 -0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 53.81 2hiy s LEU 76 Cb -0.12 -0.30 -0.01 0.00 0.50 0.00 0.00 46.19 46.26 2hiy s LEU 76 CO 0.04 -0.26 0.03 -1.48 -1.32 0.00 0.00 176.35 173.35 2hiy s LEU 77 N 2.07 2.01 0.50 -0.68 0.05 -0.47 -4.97 118.68 117.19 2hiy s LEU 77 Ca 0.04 -0.37 0.00 0.00 0.05 0.00 0.00 54.13 53.85 2hiy s LEU 77 Cb -0.14 0.28 0.01 0.00 -2.05 0.00 0.00 46.19 44.29 2hiy s LEU 77 CO -0.06 -0.30 0.73 -0.94 -0.55 0.00 0.00 176.35 175.23 2hiy s SER 78 N -1.33 5.59 0.20 1.48 1.04 -1.26 -0.44 113.70 118.97 2hiy s SER 78 Ca -0.14 0.20 -0.11 0.00 0.48 0.00 0.00 55.95 56.38 2hiy s SER 78 Cb -0.09 -1.28 0.24 0.00 0.10 0.00 0.00 66.02 65.00 2hiy s SER 78 CO -0.00 -0.91 1.72 0.25 0.98 0.00 0.00 173.24 175.28 2hiy h LEU 79 N 0.22 0.06 -0.57 2.42 5.85 -1.44 -1.64 115.31 120.22 2hiy h LEU 79 Ca -0.44 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.41 2hiy h LEU 79 Cb 1.27 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.37 2hiy h LEU 79 CO 0.56 0.05 0.32 -0.08 -0.34 0.00 0.00 178.44 178.95 2hiy h GLU 80 N 0.29 0.61 -0.52 1.25 4.81 -1.95 0.56 114.58 119.64 2hiy h GLU 80 Ca 0.28 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.52 2hiy h GLU 80 Cb 0.38 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 2hiy h GLU 80 CO -0.34 0.40 0.26 -0.44 -0.73 0.00 0.00 179.01 178.16 2hiy h ASP 81 N 0.63 0.37 -0.30 1.04 3.32 -1.79 -1.32 116.42 118.36 2hiy h ASP 81 Ca 0.24 0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.19 2hiy h ASP 81 Cb 0.09 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 2hiy h ASP 81 CO -0.13 0.25 -0.32 0.15 -1.72 0.00 0.00 179.24 177.47 2hiy h PHE 82 N 0.50 0.89 -0.03 4.55 3.57 -0.72 -1.61 116.94 124.09 2hiy h PHE 82 Ca 0.23 -0.27 -0.04 0.00 3.53 0.00 0.00 57.97 61.41 2hiy h PHE 82 Cb 0.14 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 2hiy h PHE 82 CO -0.10 1.04 -0.18 0.93 -2.23 0.00 0.00 178.31 177.76 2hiy h GLU 83 N 0.49 0.05 -0.33 1.11 4.39 -0.70 0.11 114.58 119.71 2hiy h GLU 83 Ca 0.04 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 2hiy h GLU 83 Cb 0.89 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 2hiy h GLU 83 CO 0.08 0.23 -0.07 0.00 -1.16 0.00 0.00 179.01 178.09 2hiy h ALA 84 N 1.77 0.46 -0.88 3.43 0.00 -0.98 -2.96 119.26 120.09 2hiy h ALA 84 Ca 0.01 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.65 2hiy h ALA 84 Cb 0.35 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2hiy h ALA 84 CO 0.02 0.29 0.58 1.49 0.00 0.00 0.00 179.25 181.64 2hiy h GLU 85 N 0.42 1.13 0.00 0.00 4.57 -0.30 -2.45 114.58 117.96 2hiy h GLU 85 Ca 0.09 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2hiy h GLU 85 Cb 0.56 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 2hiy h GLU 85 CO 0.03 0.75 0.00 1.28 -1.18 0.00 0.00 179.01 179.89 2hiy n LEU 86 N -4.49 0.41 -0.04 1.64 4.77 -0.07 -1.48 117.00 117.74 2hiy n LEU 86 Ca 0.10 0.63 0.14 0.00 -0.03 0.00 0.00 56.01 56.85 2hiy n LEU 86 Cb 0.04 -0.61 0.54 0.00 -2.33 0.00 0.00 43.42 41.05 2hiy n LEU 86 CO 0.36 -0.59 0.82 -0.62 -1.33 0.00 0.00 177.39 176.03 2hiy n GLU 87 N -1.99 0.26 -2.67 3.23 -0.58 -0.92 -4.18 120.64 113.79 2hiy n GLU 87 Ca 0.01 -0.08 -0.08 0.00 -0.42 0.00 0.00 57.16 56.59 2hiy n GLU 87 Cb 0.14 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.54 2hiy n GLU 87 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2hiy n ASN 88 N -1.30 1.93 -4.74 1.62 5.15 -0.55 -5.09 115.26 112.28 2hiy n ASN 88 Ca 0.10 -2.63 -0.41 0.00 -0.60 0.00 0.00 54.58 51.04 2hiy n ASN 88 Cb 0.31 -0.50 -0.05 0.00 -0.53 0.00 0.00 39.78 39.01 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 -3.39 4.54 0.54 1.20 1.43 -1.23 -5.00 118.68 116.77 2hiy s LEU 89 Ca 0.30 2.05 -0.22 0.00 -1.03 0.00 0.00 54.13 55.23 2hiy s LEU 89 Cb 0.41 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.97 2hiy s LEU 89 CO -0.00 -0.09 1.35 -2.65 0.23 0.00 0.00 176.35 175.19 2hiy n PRO 90 N 1.96 1.69 0.13 1.29 -0.02 -1.26 -4.88 135.00 133.90 2hiy n PRO 90 Ca 0.01 0.62 0.04 0.00 -2.02 0.00 0.00 63.50 62.15 2hiy n PRO 90 Cb 0.46 -2.56 0.46 0.00 -0.02 0.00 0.00 33.50 31.84 2hiy n PRO 90 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hiy h ALA 91 N 1.43 1.67 0.00 3.55 0.00 -2.03 -1.50 119.26 122.38 2hiy h ALA 91 Ca -0.51 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2hiy h ALA 91 Cb 1.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2hiy h ALA 91 CO 0.57 0.25 0.00 -2.67 0.00 0.00 0.00 179.25 177.40 2hiy n TRP 92 N -4.38 0.78 0.27 0.00 4.27 -1.26 -3.06 117.44 114.06 2hiy n TRP 92 Ca -0.01 0.27 0.13 0.00 -3.89 0.00 0.00 57.50 54.00 2hiy n TRP 92 Cb 0.18 -0.93 0.74 0.00 -1.36 0.00 0.00 31.31 29.94 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 -0.50 -2.67 2.91 -1.62 -2.04 115.95 112.02 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 0.52 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.17 2hiy h TRP 93 CO 0.00 0.11 0.00 0.43 -1.03 0.00 0.00 178.44 177.95 2hiy n SER 94 N -3.70 3.08 -4.99 2.65 7.64 -1.17 -4.95 113.62 112.18 2hiy n SER 94 Ca -0.02 -1.97 -0.19 0.00 1.01 0.00 0.00 58.87 57.70 2hiy n SER 94 Cb 0.22 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 2hiy n SER 94 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2hiy s ARG 95 N -1.34 3.04 -1.22 1.43 0.52 -0.77 -5.01 118.95 115.61 2hiy s ARG 95 Ca 0.39 -1.00 -0.05 0.00 -0.52 0.00 0.00 55.73 54.55 2hiy s ARG 95 Cb 0.21 -2.77 0.10 0.00 0.52 0.00 0.00 34.95 33.00 2hiy s ARG 95 CO 0.28 -0.06 2.47 -3.47 0.02 0.00 0.00 175.30 174.54 2hiy n ASP 96 N -1.75 7.87 -4.74 0.23 2.03 -1.26 -4.95 116.55 113.99 2hiy n ASP 96 Ca 0.02 -3.12 -0.33 0.00 0.52 0.00 0.00 54.79 51.88 2hiy n ASP 96 Cb 0.58 -1.35 0.09 0.00 -0.72 0.00 0.00 41.12 39.71 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 -2.02 3.25 0.19 -2.67 1.02 -1.26 -4.93 118.68 112.25 2hiy s LEU 97 Ca 0.56 2.15 -0.12 0.00 0.02 0.00 0.00 54.13 56.73 2hiy s LEU 97 Cb 0.21 -4.56 0.15 0.00 0.02 0.00 0.00 46.19 42.01 2hiy s LEU 97 CO -0.11 -2.12 1.80 0.00 0.02 0.00 0.00 176.35 175.94 2hiy h ALA 98 N -0.48 0.71 -3.54 4.21 0.00 -0.92 -3.42 119.26 115.82 2hiy h ALA 98 Ca -0.46 0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.22 2hiy h ALA 98 Cb 1.27 -0.11 -0.30 0.00 0.00 0.00 0.00 17.79 18.66 2hiy h ALA 98 CO 0.50 -0.02 -0.67 1.03 0.00 0.00 0.00 179.25 180.09 2hiy s ARG 99 N -6.12 0.04 -0.09 0.00 1.81 -0.87 -4.98 118.95 108.73 2hiy s ARG 99 Ca -0.13 0.14 -0.00 0.00 -1.72 0.00 0.00 55.73 54.02 2hiy s ARG 99 Cb 0.14 -0.07 0.02 0.00 -0.45 0.00 0.00 34.95 34.60 2hiy s ARG 99 CO 0.74 -0.07 -0.06 0.15 -0.68 0.00 0.00 175.30 175.39 2hiy s LYS 100 N 0.44 1.23 0.07 3.54 1.02 -1.26 -0.51 119.74 124.27 2hiy s LYS 100 Ca -0.03 -0.16 0.07 0.00 0.02 0.00 0.00 55.97 55.86 2hiy s LYS 100 Cb -0.05 -1.31 -0.03 0.00 -0.52 0.00 0.00 37.83 35.92 2hiy s LYS 100 CO -0.02 -0.21 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.51 2hiy s ASP 101 N 1.54 2.15 -0.14 2.83 1.01 -0.62 -1.32 116.67 122.12 2hiy s ASP 101 Ca 0.00 -0.60 0.01 0.00 0.71 0.00 0.00 52.55 52.67 2hiy s ASP 101 Cb -0.13 -0.12 -0.00 0.00 1.01 0.00 0.00 42.92 43.68 2hiy s ASP 101 CO -0.05 0.03 -0.17 0.12 0.21 0.00 0.00 175.17 175.31 2hiy s PHE 102 N -1.08 2.73 -0.60 4.23 5.36 0.85 -0.90 117.98 128.57 2hiy s PHE 102 Ca 0.03 -1.01 -0.14 0.00 -0.96 0.00 0.00 56.93 54.85 2hiy s PHE 102 Cb -0.09 -1.84 0.15 0.00 -0.34 0.00 0.00 43.02 40.90 2hiy s PHE 102 CO 0.03 -0.44 0.54 -0.51 -1.46 0.00 0.00 175.22 173.38 2hiy s LEU 103 N 0.65 6.23 0.06 6.12 1.02 -0.01 -1.36 118.68 131.39 2hiy s LEU 103 Ca -0.09 -2.03 -0.31 0.00 0.02 0.00 0.00 54.13 51.72 2hiy s LEU 103 Cb -0.16 -2.18 -0.05 0.00 0.02 0.00 0.00 46.19 43.82 2hiy s LEU 103 CO 0.02 -0.76 1.18 -0.36 0.02 0.00 0.00 176.35 176.45 2hiy s PHE 104 N 1.21 3.46 0.67 0.29 0.08 -0.47 -1.21 117.98 121.99 2hiy s PHE 104 Ca 0.07 1.33 -0.16 0.00 0.12 0.00 0.00 56.93 58.29 2hiy s PHE 104 Cb -0.25 -3.40 0.00 0.00 -0.57 0.00 0.00 43.02 38.81 2hiy s PHE 104 CO -0.00 -1.18 1.19 0.71 -0.10 0.00 0.00 175.22 175.83 2hiy s TYR 105 N 1.04 2.28 0.34 0.36 2.02 -0.31 -1.28 117.35 121.81 2hiy s TYR 105 Ca 0.58 1.56 0.08 0.00 -0.37 0.00 0.00 57.07 58.92 2hiy s TYR 105 Cb -0.29 -3.41 -0.03 0.00 -0.40 0.00 0.00 41.96 37.82 2hiy s TYR 105 CO 0.29 -2.28 0.22 0.95 -1.57 0.00 0.00 175.55 173.15 2hiy s THR 106 N -1.92 3.24 0.23 -0.71 -4.23 -1.25 -4.46 115.64 106.55 2hiy s THR 106 Ca 0.74 -1.54 -0.31 0.00 -1.18 0.00 0.00 61.69 59.40 2hiy s THR 106 Cb -0.28 -3.07 -0.11 0.00 1.34 0.00 0.00 72.50 70.38 2hiy s THR 106 CO 0.40 -0.17 1.56 -1.61 -0.54 0.00 0.00 174.62 174.26 2hiy s GLU 107 N -3.92 4.19 0.00 3.99 0.41 -0.17 -1.99 118.70 121.21 2hiy s GLU 107 Ca 0.39 2.45 0.00 0.00 -0.41 0.00 0.00 54.97 57.40 2hiy s GLU 107 Cb -0.04 -3.09 0.00 0.00 -1.78 0.00 0.00 34.13 29.22 2hiy s GLU 107 CO 0.25 -0.58 0.00 0.41 -0.49 0.00 0.00 175.26 174.84 2hiy n GLY 108 N 2.87 1.47 3.76 -1.39 0.00 -1.26 -4.80 105.19 105.83 2hiy n GLY 108 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2hiy n GLY 108 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2hiy s LEU 109 N 0.00 4.39 -1.06 0.99 2.96 -0.84 -4.92 118.68 120.20 2hiy s LEU 109 Ca 0.00 2.72 -0.20 0.00 -0.22 0.00 0.00 54.13 56.42 2hiy s LEU 109 Cb 0.00 -3.64 0.08 0.00 0.50 0.00 0.00 46.19 43.13 2hiy s LEU 109 CO 0.00 -0.65 1.42 -0.62 -1.32 0.00 0.00 176.35 175.18 2hiy s ASP 110 N -0.03 6.63 0.19 3.68 -1.08 -1.26 -4.84 116.67 119.96 2hiy s ASP 110 Ca 0.54 -1.88 -0.10 0.00 -0.52 0.00 0.00 52.55 50.59 2hiy s ASP 110 Cb -0.42 -2.52 0.11 0.00 -1.46 0.00 0.00 42.92 38.64 2hiy s ASP 110 CO 0.49 -1.29 1.77 0.58 0.52 0.00 0.00 175.17 177.24 2hiy h VAL 111 N 6.20 1.23 -0.31 1.11 2.07 -1.97 -1.84 116.25 122.75 2hiy h VAL 111 Ca 0.24 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 2hiy h VAL 111 Cb 0.98 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2hiy h VAL 111 CO 1.34 0.28 0.04 0.44 0.02 0.00 0.00 177.57 179.69 2hiy h ASP 112 N 0.95 0.42 -0.34 0.57 3.32 -2.00 0.23 116.42 119.57 2hiy h ASP 112 Ca 0.23 -0.06 -0.17 0.00 0.02 0.00 0.00 57.03 57.05 2hiy h ASP 112 Cb 0.15 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 2hiy h ASP 112 CO -0.03 0.45 -0.45 -0.61 -1.72 0.00 0.00 179.24 176.89 2hiy h GLN 113 N 0.44 0.91 -0.62 3.56 5.75 -1.84 -1.82 115.11 121.50 2hiy h GLN 113 Ca 0.10 -0.52 0.08 0.00 -0.15 0.00 0.00 58.65 58.16 2hiy h GLN 113 Cb 0.23 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.76 2hiy h GLN 113 CO 0.00 1.16 0.28 0.28 -2.65 0.00 0.00 178.83 177.91 2hiy h VAL 114 N 0.73 0.85 -0.32 2.39 2.07 -0.65 -0.58 116.25 120.74 2hiy h VAL 114 Ca 0.04 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2hiy h VAL 114 Cb 1.05 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2hiy h VAL 114 CO 0.11 0.09 0.15 0.40 0.02 0.00 0.00 177.57 178.34 2hiy h ILE 115 N 0.51 1.16 -0.78 4.57 2.04 -0.83 0.10 117.51 124.28 2hiy h ILE 115 Ca 0.30 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.72 2hiy h ILE 115 Cb 0.30 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 2hiy h ILE 115 CO -0.25 0.17 0.50 0.00 0.00 0.00 0.00 178.15 178.57 2hiy h ALA 116 N 1.00 1.01 -0.26 1.87 0.00 -1.02 0.15 119.26 122.02 2hiy h ALA 116 Ca 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2hiy h ALA 116 Cb 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2hiy h ALA 116 CO -0.01 0.34 0.06 1.15 0.00 0.00 0.00 179.25 180.79 2hiy h THR 117 N 1.00 1.22 -0.68 0.00 2.02 -0.61 -2.29 112.91 113.58 2hiy h THR 117 Ca 0.30 -0.72 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 2hiy h THR 117 Cb -0.04 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 2hiy h THR 117 CO -0.09 0.23 0.26 0.58 0.37 0.00 0.00 175.52 176.87 2hiy h VAL 118 N 0.24 1.23 0.00 3.16 2.07 -0.44 -2.25 116.25 120.27 2hiy h VAL 118 Ca 0.08 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 2hiy h VAL 118 Cb 0.30 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2hiy h VAL 118 CO 0.00 0.30 -0.06 -0.33 0.02 0.00 0.00 177.57 177.50 2hiy h GLU 119 N 0.98 0.00 0.00 1.57 5.08 -0.45 -1.74 114.58 120.02 2hiy h GLU 119 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2hiy h GLU 119 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2hiy h GLU 119 CO -0.02 0.06 0.00 -1.13 -1.00 0.00 0.00 179.01 176.92 2hiy n SER 120 N -3.42 0.61 -4.76 1.42 3.41 -0.85 -4.85 113.62 105.18 2hiy n SER 120 Ca -0.02 0.57 -0.39 0.00 -0.26 0.00 0.00 58.87 58.77 2hiy n SER 120 Cb 0.19 -0.73 -0.05 0.00 -0.26 0.00 0.00 64.21 63.36 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 -4.17 4.47 -0.53 1.04 1.43 -0.66 -4.99 118.68 115.27 2hiy s LEU 121 Ca 0.11 2.03 -0.23 0.00 -1.03 0.00 0.00 54.13 55.01 2hiy s LEU 121 Cb 0.13 -3.80 0.04 0.00 0.03 0.00 0.00 46.19 42.60 2hiy s LEU 121 CO 0.55 -0.09 0.86 -0.70 0.23 0.00 0.00 176.35 177.20 2hiy s GLU 122 N -1.67 3.30 0.42 1.70 2.12 -1.26 -5.01 118.70 118.30 2hiy s GLU 122 Ca 0.47 -0.37 -0.24 0.00 0.36 0.00 0.00 54.97 55.19 2hiy s GLU 122 Cb -0.25 -4.05 -0.08 0.00 0.26 0.00 0.00 34.13 30.01 2hiy s GLU 122 CO 0.32 -1.39 1.11 -0.51 -0.54 0.00 0.00 175.26 174.25 2hiy s LEU 123 N 3.60 4.11 0.00 2.70 1.43 -1.26 -4.44 118.68 124.82 2hiy s LEU 123 Ca 0.27 2.18 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 2hiy s LEU 123 Cb -0.14 -4.17 0.00 0.00 0.03 0.00 0.00 46.19 41.91 2hiy s LEU 123 CO 0.18 -0.66 0.00 0.29 0.23 0.00 0.00 176.35 176.39 2hiy n LYS 124 N -0.18 0.00 -2.15 1.70 4.76 -1.26 -4.96 118.16 116.07 2hiy n LYS 124 Ca 0.06 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.08 2hiy n LYS 124 Cb 0.49 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.68 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 5.57 -3.54 4.39 2.03 -1.26 -4.82 116.55 118.92 2hiy n ASP 125 Ca 0.00 -3.06 -0.09 0.00 0.52 0.00 0.00 54.79 52.16 2hiy n ASP 125 Cb 0.00 -1.48 -0.02 0.00 -0.72 0.00 0.00 41.12 38.90 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 0.56 1.18 0.02 -0.67 -1.05 -1.26 -2.07 118.70 115.42 2hiy s GLU 126 Ca 0.44 -0.50 -0.00 0.00 -0.15 0.00 0.00 54.97 54.76 2hiy s GLU 126 Cb 0.12 0.50 -0.02 0.00 -0.44 0.00 0.00 34.13 34.29 2hiy s GLU 126 CO -0.03 -0.53 -0.02 0.08 0.95 0.00 0.00 175.26 175.71 2hiy s VAL 127 N -3.51 0.13 0.04 1.83 1.01 -0.16 -4.99 120.40 114.74 2hiy s VAL 127 Ca 0.05 -1.05 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 2hiy s VAL 127 Cb -0.02 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 2hiy s VAL 127 CO -0.08 -0.58 0.07 -1.48 0.00 0.00 0.00 175.10 173.04 2hiy s LEU 128 N -1.71 1.92 -0.02 3.92 0.05 -1.26 -0.36 118.68 121.22 2hiy s LEU 128 Ca -0.12 -0.62 -0.00 0.00 0.05 0.00 0.00 54.13 53.44 2hiy s LEU 128 Cb -0.07 0.54 0.02 0.00 -2.05 0.00 0.00 46.19 44.63 2hiy s LEU 128 CO -0.02 -0.53 0.03 -0.47 -0.55 0.00 0.00 176.35 174.80 2hiy s TYR 129 N -2.87 0.01 -0.54 3.48 5.04 -0.11 -4.99 117.35 117.37 2hiy s TYR 129 Ca -0.03 0.12 -0.27 0.00 -2.44 0.00 0.00 57.07 54.46 2hiy s TYR 129 Cb 0.00 -0.18 0.03 0.00 0.35 0.00 0.00 41.96 42.17 2hiy s TYR 129 CO -0.06 -0.07 1.07 -0.06 -1.34 0.00 0.00 175.55 175.08 2hiy s PHE 130 N 0.83 2.74 0.17 4.97 0.08 -1.26 -1.21 117.98 124.30 2hiy s PHE 130 Ca -0.07 0.30 -0.01 0.00 0.12 0.00 0.00 56.93 57.28 2hiy s PHE 130 Cb -0.10 -4.28 0.04 0.00 -0.57 0.00 0.00 43.02 38.10 2hiy s PHE 130 CO -0.02 -1.40 0.24 0.41 -0.10 0.00 0.00 175.22 174.34 2hiy n GLY 131 N 5.04 0.41 0.13 4.36 0.00 0.66 -5.00 105.19 110.78 2hiy n GLY 131 Ca 0.06 -1.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.02 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 0.32 -0.02 1.61 1.63 -1.95 -3.34 116.57 114.83 2hiy h LYS 132 Ca -0.08 -0.20 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 2hiy h LYS 132 Cb 0.27 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 2hiy h LYS 132 CO 0.08 0.79 -0.33 1.28 -3.45 0.00 0.00 179.45 177.82 2hiy n LEU 133 N -4.53 1.96 0.00 5.20 4.77 -1.26 -5.00 117.00 118.14 2hiy n LEU 133 Ca -0.07 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 2hiy n LEU 133 Cb 0.40 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2hiy n LEU 133 CO 0.40 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 2hiy n GLY 134 N 1.38 -0.99 3.33 -0.72 0.00 -1.25 -1.17 105.19 105.77 2hiy n GLY 134 Ca 0.11 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 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 3.29 0.01 -0.61 1.01 -0.35 -0.24 121.20 121.30 2hiy s ILE 135 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 60.65 59.82 2hiy s ILE 135 Cb 0.00 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 2hiy s ILE 135 CO 0.00 0.45 0.96 -0.36 0.00 0.00 0.00 174.94 175.99 2hiy s PHE 136 N 1.17 3.68 -0.20 3.97 0.08 -0.35 -0.83 117.98 125.50 2hiy s PHE 136 Ca 0.02 1.69 -0.04 0.00 0.12 0.00 0.00 56.93 58.71 2hiy s PHE 136 Cb -0.14 -3.09 0.08 0.00 -0.57 0.00 0.00 43.02 39.30 2hiy s PHE 136 CO -0.02 0.03 0.16 -0.46 -0.10 0.00 0.00 175.22 174.83 2hiy s TRP 137 N 0.86 -0.03 -0.06 0.36 -0.11 -0.08 -0.93 118.94 118.95 2hiy s TRP 137 Ca 0.50 -0.13 -0.01 0.00 1.22 0.00 0.00 56.10 57.68 2hiy s TRP 137 Cb -0.21 -0.56 -0.03 0.00 -1.50 0.00 0.00 33.47 31.17 2hiy s TRP 137 CO 0.28 -0.60 0.02 0.20 -4.62 0.00 0.00 176.95 172.22 2hiy s GLY 138 N 2.23 1.89 -0.16 5.86 0.00 0.52 -1.58 107.32 116.08 2hiy s GLY 138 Ca 0.05 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.94 2hiy s GLY 138 CO -0.14 -0.64 -0.20 0.54 0.00 0.00 0.00 173.10 172.66 2hiy s LYS 139 N -1.14 3.07 0.17 2.90 3.01 0.34 -0.99 119.74 127.09 2hiy s LYS 139 Ca 0.16 -0.82 -0.07 0.00 -1.01 0.00 0.00 55.97 54.23 2hiy s LYS 139 Cb -0.11 -2.53 0.05 0.00 -1.01 0.00 0.00 37.83 34.23 2hiy s LYS 139 CO 0.06 -0.06 1.50 0.74 0.51 0.00 0.00 175.35 178.10 2hiy h PHE 140 N 7.50 0.92 -3.47 3.18 0.04 -1.71 -2.19 116.94 121.21 2hiy h PHE 140 Ca -0.36 -0.29 -0.20 0.00 2.80 0.00 0.00 57.97 59.92 2hiy h PHE 140 Cb 1.18 -0.19 -0.27 0.00 2.20 0.00 0.00 35.95 38.87 2hiy h PHE 140 CO 0.48 1.06 -0.59 0.45 -0.60 0.00 0.00 178.31 179.12 2hiy s SER 141 N -6.88 -0.11 0.51 2.17 0.15 -1.26 -2.12 113.70 106.16 2hiy s SER 141 Ca -0.09 0.21 0.25 0.00 0.70 0.00 0.00 55.95 57.02 2hiy s SER 141 Cb 0.11 0.23 1.38 0.00 -1.71 0.00 0.00 66.02 66.02 2hiy s SER 141 CO 0.86 -0.05 2.06 -0.33 1.20 0.00 0.00 173.24 176.98 2hiy h GLU 142 N 5.93 0.00 -0.42 5.44 4.39 -1.94 -0.88 114.58 127.10 2hiy h GLU 142 Ca -0.25 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.40 2hiy h GLU 142 Cb 1.20 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 2hiy h GLU 142 CO 0.44 0.13 0.05 0.93 -1.16 0.00 0.00 179.01 179.40 2hiy h GLU 143 N 0.00 0.66 -0.01 2.33 4.39 -2.01 -3.21 114.58 116.72 2hiy h GLU 143 Ca -0.00 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.56 2hiy h GLU 143 Cb 0.34 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2hiy h GLU 143 CO 0.02 0.64 -0.31 -1.13 -1.16 0.00 0.00 179.01 177.07 2hiy n SER 144 N -4.28 1.36 -0.28 1.42 3.41 -1.04 -4.70 113.62 109.50 2hiy n SER 144 Ca 0.02 -1.18 0.06 0.00 -0.26 0.00 0.00 58.87 57.52 2hiy n SER 144 Cb 0.24 0.52 0.21 0.00 -0.26 0.00 0.00 64.21 64.92 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 1.34 0.67 0.00 7.33 3.20 -1.17 -1.26 116.97 127.07 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 0.44 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.53 2hiy h TYR 145 CO 0.00 0.14 0.00 0.66 -1.64 0.00 0.00 178.16 177.32 2hiy h SER 146 N 0.55 0.00 -0.05 -2.11 4.64 -1.84 -1.76 113.55 112.99 2hiy h SER 146 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 2hiy h SER 146 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2hiy h SER 146 CO -0.38 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 175.87 2hiy n LYS 147 N -2.30 2.11 -1.85 4.77 5.02 -0.48 -4.58 118.16 120.84 2hiy n LYS 147 Ca 0.02 -1.61 -0.33 0.00 -2.02 0.00 0.00 58.31 54.37 2hiy n LYS 147 Cb 0.21 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.78 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 -1.97 3.51 0.31 -0.18 -4.23 -0.66 -4.75 115.64 107.67 2hiy s THR 148 Ca 0.32 0.69 0.02 0.00 -1.18 0.00 0.00 61.69 61.54 2hiy s THR 148 Cb 0.20 -3.22 0.16 0.00 1.34 0.00 0.00 72.50 70.98 2hiy s THR 148 CO 0.31 -0.45 1.85 0.00 -0.54 0.00 0.00 174.62 175.80 2hiy h ALA 149 N 0.13 1.30 -0.36 3.99 0.00 -1.89 -0.15 119.26 122.28 2hiy h ALA 149 Ca -0.47 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.31 2hiy h ALA 149 Cb 1.23 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 2hiy h ALA 149 CO 0.55 0.48 -0.06 -0.92 0.00 0.00 0.00 179.25 179.30 2hiy h TYR 150 N 0.63 -0.14 -0.09 0.00 3.20 -1.92 0.01 116.97 118.66 2hiy h TYR 150 Ca 0.14 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.80 2hiy h TYR 150 Cb 0.31 0.12 0.01 0.00 1.54 0.00 0.00 36.73 38.72 2hiy h TYR 150 CO 0.01 -0.13 -0.89 1.25 -1.64 0.00 0.00 178.16 176.76 2hiy h HIS 151 N 0.03 1.06 0.00 -3.82 2.76 -1.73 -3.14 115.15 110.31 2hiy h HIS 151 Ca 0.17 -0.51 -0.03 0.00 -2.20 0.00 0.00 60.37 57.80 2hiy h HIS 151 Cb 0.26 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.07 2hiy h HIS 151 CO -0.30 1.35 -0.54 0.87 -1.30 0.00 0.00 177.93 178.01 2hiy h LYS 152 N 0.48 0.00 0.00 5.26 1.57 -0.82 -3.41 116.57 119.66 2hiy h LYS 152 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2hiy h LYS 152 Cb 1.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.84 2hiy h LYS 152 CO 0.18 0.08 -0.20 0.66 -0.57 0.00 0.00 179.45 179.61 2hiy n TYR 153 N -2.95 0.00 -0.12 -1.35 4.01 -0.03 -4.81 117.16 111.91 2hiy n TYR 153 Ca 0.01 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.76 2hiy n TYR 153 Cb 0.59 0.00 0.30 0.00 -0.31 0.00 0.00 39.34 39.91 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 0.71 -0.59 7.72 5.85 -1.59 -0.07 115.31 127.33 2hiy h LEU 154 Ca 0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2hiy h LEU 154 Cb 0.00 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.85 2hiy h LEU 154 CO 0.00 0.55 0.00 0.18 -0.34 0.00 0.00 178.44 178.83 2hiy n LEU 155 N -4.41 0.46 0.08 2.25 4.77 -1.26 -2.46 117.00 116.42 2hiy n LEU 155 Ca 0.06 0.63 0.12 0.00 -0.03 0.00 0.00 56.01 56.78 2hiy n LEU 155 Cb 0.08 -0.59 0.06 0.00 -2.33 0.00 0.00 43.42 40.64 2hiy n LEU 155 CO 0.37 -0.54 0.12 0.29 -1.33 0.00 0.00 177.39 176.30 2hiy n LYS 156 N -2.02 0.45 -2.62 3.23 5.02 -0.05 -4.97 118.16 117.20 2hiy n LYS 156 Ca 0.02 0.09 -0.35 0.00 -2.02 0.00 0.00 58.31 56.04 2hiy n LYS 156 Cb 0.17 -1.74 -0.05 0.00 -0.02 0.00 0.00 35.03 33.40 2hiy n LYS 156 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2hiy s VAL 157 N -3.27 3.92 0.49 -0.18 -7.23 -1.03 -4.93 120.40 108.17 2hiy s VAL 157 Ca 0.02 1.35 0.29 0.00 -1.81 0.00 0.00 61.98 61.83 2hiy s VAL 157 Cb 0.12 -3.64 0.32 0.00 0.56 0.00 0.00 36.38 33.74 2hiy s VAL 157 CO 0.77 -0.11 2.15 -0.65 -0.31 0.00 0.00 175.10 176.96 2hiy h PRO 158 N 2.20 0.00 -0.11 4.82 0.11 -1.93 -2.79 132.00 134.30 2hiy h PRO 158 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 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 0.61 0.07 0.00 1.97 -0.21 0.00 0.00 178.00 180.44 2hiy n PHE 159 N -3.71 0.13 -0.23 0.65 1.16 -1.26 -4.57 117.46 109.63 2hiy n PHE 159 Ca -0.02 -0.07 0.02 0.00 -1.87 0.00 0.00 57.45 55.51 2hiy n PHE 159 Cb 0.17 0.00 0.14 0.00 -1.61 0.00 0.00 39.48 38.18 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 1.75 0.46 -0.11 2.97 3.20 -1.77 0.61 116.97 124.08 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 0.38 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.55 2hiy h TYR 160 CO 0.07 0.10 0.00 0.54 -1.64 0.00 0.00 178.16 177.23 2hiy n ARG 161 N -4.98 1.26 -0.54 1.82 1.74 -1.26 -3.65 116.66 111.05 2hiy n ARG 161 Ca 0.11 -0.41 0.05 0.00 -0.77 0.00 0.00 57.85 56.83 2hiy n ARG 161 Cb 0.32 -1.13 0.10 0.00 -1.02 0.00 0.00 32.46 30.73 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 -0.20 0.00 -4.30 -1.55 8.25 0.20 -4.74 115.22 112.88 2hiy n HIS 162 Ca 0.06 -0.75 -0.16 0.00 -0.26 0.00 0.00 57.72 56.61 2hiy n HIS 162 Cb 0.11 -0.14 -0.10 0.00 1.12 0.00 0.00 29.99 30.97 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 -1.68 0.98 -0.32 1.59 -4.36 -1.18 -3.79 121.20 112.44 2hiy s ILE 163 Ca 0.25 -2.03 -0.00 0.00 -0.26 0.00 0.00 60.65 58.61 2hiy s ILE 163 Cb 0.24 -2.23 0.10 0.00 1.25 0.00 0.00 42.46 41.82 2hiy s ILE 163 CO -0.03 -0.41 0.09 -0.89 0.24 0.00 0.00 174.94 173.94 2hiy s THR 164 N -3.46 1.09 -0.15 8.37 2.01 -0.40 -4.82 115.64 118.28 2hiy s THR 164 Ca 0.26 -1.55 -0.15 0.00 0.31 0.00 0.00 61.69 60.56 2hiy s THR 164 Cb 0.05 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 2hiy s THR 164 CO 0.07 -0.67 0.36 -0.63 -0.69 0.00 0.00 174.62 173.06 2hiy s ILE 165 N 1.50 5.26 0.06 1.82 1.01 -1.26 -1.37 121.20 128.22 2hiy s ILE 165 Ca 0.10 0.70 0.03 0.00 0.00 0.00 0.00 60.65 61.47 2hiy s ILE 165 Cb -0.18 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 2hiy s ILE 165 CO -0.23 0.36 -0.09 -0.13 0.00 0.00 0.00 174.94 174.86 2hiy s ARG 166 N 0.55 0.64 0.90 2.79 1.81 -0.46 -4.99 118.95 120.18 2hiy s ARG 166 Ca 0.20 -0.90 -0.13 0.00 -1.72 0.00 0.00 55.73 53.18 2hiy s ARG 166 Cb -0.14 -0.38 0.14 0.00 -0.45 0.00 0.00 34.95 34.12 2hiy s ARG 166 CO 0.06 0.06 1.18 0.54 -0.68 0.00 0.00 175.30 176.46 2hiy s ASN 167 N -1.87 3.64 0.38 0.23 2.20 -1.26 -0.11 114.94 118.15 2hiy s ASN 167 Ca -0.05 0.77 0.09 0.00 -0.94 0.00 0.00 52.86 52.73 2hiy s ASN 167 Cb -0.07 -1.22 0.75 0.00 -2.00 0.00 0.00 41.25 38.71 2hiy s ASN 167 CO -0.00 -2.45 1.90 0.00 -2.94 0.00 0.00 177.10 173.61 2hiy h ALA 168 N -1.43 1.47 -0.31 3.54 0.00 -1.56 -0.14 119.26 120.83 2hiy h ALA 168 Ca -0.48 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 2hiy h ALA 168 Cb 1.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2hiy h ALA 168 CO 0.58 0.37 0.11 -0.22 0.00 0.00 0.00 179.25 180.09 2hiy h LYS 169 N 0.26 0.47 -0.24 0.00 3.64 -1.93 -1.27 116.57 117.50 2hiy h LYS 169 Ca 0.05 -0.09 -0.14 0.00 -1.27 0.00 0.00 60.65 59.20 2hiy h LYS 169 Cb 0.38 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2hiy h LYS 169 CO 0.02 0.49 -0.45 1.15 -2.27 0.00 0.00 179.45 178.40 2hiy h THR 170 N 0.35 1.30 -0.37 1.00 2.02 -1.84 -1.73 112.91 113.64 2hiy h THR 170 Ca 0.10 -1.64 0.07 0.00 0.77 0.00 0.00 66.41 65.72 2hiy h THR 170 Cb 0.21 1.60 -0.07 0.00 -1.74 0.00 0.00 68.15 68.15 2hiy h THR 170 CO -0.01 0.52 -0.07 0.15 0.37 0.00 0.00 175.52 176.48 2hiy h PHE 171 N 0.49 -0.16 -0.84 3.16 3.57 -0.89 0.81 116.94 123.08 2hiy h PHE 171 Ca 0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2hiy h PHE 171 Cb 0.97 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.79 2hiy h PHE 171 CO 0.04 -0.14 0.49 0.22 -2.23 0.00 0.00 178.31 176.69 2hiy h ASP 172 N 0.02 1.02 -0.34 0.41 1.82 -1.03 -2.67 116.42 115.65 2hiy h ASP 172 Ca 0.18 -0.07 -0.11 0.00 -0.39 0.00 0.00 57.03 56.64 2hiy h ASP 172 Cb 0.27 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 40.01 2hiy h ASP 172 CO -0.36 0.79 -0.19 0.50 -1.61 0.00 0.00 179.24 178.37 2hiy h LYS 173 N 1.16 0.81 -0.71 0.28 1.63 -0.64 -2.45 116.57 116.66 2hiy h LYS 173 Ca 0.30 -0.31 0.06 0.00 -0.85 0.00 0.00 60.65 59.85 2hiy h LYS 173 Cb -0.02 -0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 31.50 2hiy h LYS 173 CO -0.05 0.94 0.40 0.82 -3.45 0.00 0.00 179.45 178.11 2hiy h ILE 174 N 0.72 0.97 -0.81 2.00 2.04 -0.53 -1.88 117.51 120.02 2hiy h ILE 174 Ca 0.10 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 2hiy h ILE 174 Cb 0.70 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 2hiy h ILE 174 CO 0.05 0.13 0.50 1.23 0.00 0.00 0.00 178.15 180.06 2hiy h GLY 175 N 0.73 1.17 -1.85 5.37 0.00 -1.19 -1.31 103.07 105.99 2hiy h GLY 175 Ca 0.32 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2hiy h GLY 175 CO -0.19 0.47 0.00 -1.06 0.00 0.00 0.00 176.54 175.76 2hiy n GLN 176 N -4.47 0.44 0.00 4.80 1.13 -0.71 -2.86 117.38 115.72 2hiy n GLN 176 Ca 0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 2hiy n GLN 176 Cb 0.05 -1.27 0.00 0.00 0.11 0.00 0.00 30.24 29.13 2hiy n GLN 176 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2hiy n LEU 178 N 0.70 0.00 -0.09 1.08 4.77 -0.50 -4.22 117.00 118.74 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 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2hiy n LEU 178 CO 0.00 0.00 0.45 0.29 -1.33 0.00 0.00 177.39 176.80 2hiy n LYS 179 N 0.00 1.00 0.00 3.23 5.02 -1.13 -4.79 118.16 121.48 2hiy n LYS 179 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 2hiy n LYS 179 Cb 0.00 -1.09 0.12 0.00 -0.02 0.00 0.00 35.03 34.05 2hiy n LYS 179 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51