#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hiy h ASN -1 N 0.00 0.00 0.00 6.43 -1.07 -1.92 -3.41 115.58 115.61 2hiy h ASN -1 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2hiy h ASN -1 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2hiy h ASN -1 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.43 177.50 2hiy n ALA 0 N -1.66 0.00 0.00 4.14 0.00 -1.26 -5.06 120.51 116.67 2hiy n ALA 0 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2hiy n ALA 0 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2hiy n ALA 0 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2hiy n THR 2 N 0.00 0.00 -3.40 0.00 -1.04 -0.39 -4.40 114.28 105.04 2hiy n THR 2 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 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 -0.89 4.28 0.11 -2.82 6.06 -1.26 -1.10 118.95 123.33 2hiy s ARG 3 Ca 0.00 0.33 0.10 0.00 -2.50 0.00 0.00 55.73 53.66 2hiy s ARG 3 Cb 0.00 -3.42 -0.04 0.00 0.06 0.00 0.00 34.95 31.56 2hiy s ARG 3 CO 0.00 0.22 -0.26 0.71 -2.50 0.00 0.00 175.30 173.48 2hiy s TYR 4 N 0.45 2.20 -0.15 5.12 1.51 0.50 -1.03 117.35 125.95 2hiy s TYR 4 Ca 0.23 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.86 2hiy s TYR 4 Cb -0.14 -1.21 -0.03 0.00 -0.11 0.00 0.00 41.96 40.47 2hiy s TYR 4 CO 0.08 0.29 -0.04 0.00 -1.11 0.00 0.00 175.55 174.77 2hiy s ALA 5 N -1.05 3.01 -0.26 3.71 0.00 0.48 -1.73 121.76 125.92 2hiy s ALA 5 Ca 0.12 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.25 2hiy s ALA 5 Cb -0.10 -1.54 0.03 0.00 0.00 0.00 0.00 23.12 21.51 2hiy s ALA 5 CO 0.05 0.25 -0.05 -1.17 0.00 0.00 0.00 175.76 174.84 2hiy s LEU 6 N 0.26 3.40 -0.09 0.00 2.96 0.15 -1.50 118.68 123.85 2hiy s LEU 6 Ca -0.03 -1.00 0.03 0.00 -0.22 0.00 0.00 54.13 52.91 2hiy s LEU 6 Cb -0.14 -1.67 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 2hiy s LEU 6 CO 0.03 -0.17 -0.18 -0.76 -1.32 0.00 0.00 176.35 173.95 2hiy s LEU 7 N 1.30 2.44 0.12 -0.68 1.43 -0.17 -0.77 118.68 122.33 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 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 2hiy s LEU 7 CO -0.04 0.22 -0.18 0.68 0.23 0.00 0.00 176.35 177.26 2hiy s VAL 8 N 0.03 1.61 0.23 -1.59 -7.23 -0.48 -0.91 120.40 112.07 2hiy s VAL 8 Ca -0.07 -1.66 0.07 0.00 -1.81 0.00 0.00 61.98 58.51 2hiy s VAL 8 Cb -0.15 -1.59 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 2hiy s VAL 8 CO 0.05 -0.22 0.16 0.00 -0.31 0.00 0.00 175.10 174.77 2hiy s ARG 9 N -2.30 2.84 0.00 4.82 1.70 -1.26 -4.56 118.95 120.19 2hiy s ARG 9 Ca 0.09 -1.05 0.00 0.00 -0.47 0.00 0.00 55.73 54.30 2hiy s ARG 9 Cb -0.08 -2.54 0.00 0.00 -0.57 0.00 0.00 34.95 31.77 2hiy s ARG 9 CO 0.05 0.42 0.00 0.41 -1.08 0.00 0.00 175.30 175.09 2hiy n GLY 10 N -0.91 0.61 3.94 3.88 0.00 -1.26 -4.90 105.19 106.54 2hiy n GLY 10 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.32 5.19 -1.49 -0.61 -4.36 -1.26 -4.52 121.20 111.82 2hiy s ILE 11 Ca 0.00 -0.47 -0.11 0.00 -0.26 0.00 0.00 60.65 59.81 2hiy s ILE 11 Cb 0.00 -3.78 0.07 0.00 1.25 0.00 0.00 42.46 40.00 2hiy s ILE 11 CO 0.00 -0.29 0.91 0.59 0.24 0.00 0.00 174.94 176.39 2hiy n ASN 12 N -1.03 -3.92 -4.17 4.36 3.02 0.42 -4.84 115.26 109.09 2hiy n ASN 12 Ca -0.05 -0.80 -0.12 0.00 -0.03 0.00 0.00 54.58 53.58 2hiy n ASN 12 Cb 0.55 -3.86 -0.10 0.00 -0.61 0.00 0.00 39.78 35.75 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 -3.40 0.79 -1.34 2.41 -7.23 -1.19 -4.91 120.40 105.53 2hiy s VAL 13 Ca 0.52 -1.83 -0.04 0.00 -1.81 0.00 0.00 61.98 58.81 2hiy s VAL 13 Cb -0.26 -1.56 0.03 0.00 0.56 0.00 0.00 36.38 35.14 2hiy s VAL 13 CO 0.83 -0.76 0.32 0.61 -0.31 0.00 0.00 175.10 175.79 2hiy n GLY 14 N 0.16 -0.50 2.44 2.32 0.00 -1.26 -1.81 105.19 106.54 2hiy n GLY 14 Ca -0.13 0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.14 1.51 2.94 -0.02 0.00 -1.26 -4.95 105.19 102.28 2hiy n GLY 15 Ca -0.11 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 2hiy n GLY 15 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2hiy n LYS 16 N -2.56 0.60 -3.72 1.61 2.85 -0.75 -4.95 118.16 111.25 2hiy n LYS 16 Ca -0.15 -2.48 -0.23 0.00 -1.05 0.00 0.00 58.31 54.40 2hiy n LYS 16 Cb 0.50 2.37 0.04 0.00 -0.65 0.00 0.00 35.03 37.29 2hiy n LYS 16 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2hiy n ASN 17 N -1.70 -2.54 -4.70 -5.58 4.13 -1.26 -3.19 115.26 100.42 2hiy n ASN 17 Ca 0.01 -0.77 -0.42 0.00 1.68 0.00 0.00 54.58 55.08 2hiy n ASN 17 Cb 0.52 -4.21 -0.03 0.00 -1.54 0.00 0.00 39.78 34.52 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 -6.09 4.51 -0.08 3.52 2.20 -1.26 -0.44 119.74 122.09 2hiy s LYS 18 Ca 0.21 1.36 -0.00 0.00 -0.36 0.00 0.00 55.97 57.18 2hiy s LYS 18 Cb -0.10 -3.48 0.02 0.00 -1.51 0.00 0.00 37.83 32.76 2hiy s LYS 18 CO 0.80 -0.11 -0.05 0.08 -0.36 0.00 0.00 175.35 175.71 2hiy s VAL 19 N 1.27 0.73 0.00 4.02 1.01 -1.26 -4.94 120.40 121.23 2hiy s VAL 19 Ca 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.34 2hiy s VAL 19 Cb -0.20 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.39 2hiy s VAL 19 CO 0.24 0.31 0.00 0.52 0.00 0.00 0.00 175.10 176.17 2hiy n VAL 20 N 4.76 0.00 0.00 2.92 0.31 -1.26 -4.91 118.33 120.15 2hiy n VAL 20 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 2hiy n VAL 20 Cb 0.50 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 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 -1.06 120.51 118.67 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 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 0.22 -0.52 0.00 5.08 -1.99 -2.32 114.58 115.05 2hiy h GLU 23 Ca 0.00 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2hiy h GLU 23 Cb 0.00 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 2hiy h GLU 23 CO 0.00 0.50 0.30 1.25 -1.00 0.00 0.00 179.01 180.07 2hiy h LEU 24 N -0.09 0.48 -0.63 1.33 5.85 -1.49 0.75 115.31 121.50 2hiy h LEU 24 Ca 0.03 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.80 2hiy h LEU 24 Cb 0.42 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 2hiy h LEU 24 CO 0.01 0.34 0.36 0.03 -0.34 0.00 0.00 178.44 178.84 2hiy h ARG 25 N 0.60 0.67 -0.33 1.25 3.08 -1.81 0.73 114.38 118.56 2hiy h ARG 25 Ca 0.21 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 2hiy h ARG 25 Cb 0.04 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2hiy h ARG 25 CO -0.11 0.44 0.08 0.37 -1.07 0.00 0.00 179.97 179.68 2hiy h GLN 26 N 0.69 0.53 -0.69 0.04 5.75 -0.95 -1.58 115.11 118.89 2hiy h GLN 26 Ca 0.27 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.62 2hiy h GLN 26 Cb 0.12 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 2hiy h GLN 26 CO -0.15 0.60 0.34 0.93 -2.65 0.00 0.00 178.83 177.89 2hiy h GLU 27 N 0.38 0.99 -0.01 1.69 5.08 -0.50 -0.21 114.58 122.00 2hiy h GLU 27 Ca 0.10 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 2hiy h GLU 27 Cb 0.30 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2hiy h GLU 27 CO 0.00 0.77 -0.46 -0.07 -1.00 0.00 0.00 179.01 178.26 2hiy h LEU 28 N 0.96 0.03 -0.33 1.33 3.38 -0.80 -0.13 115.31 119.75 2hiy h LEU 28 Ca 0.24 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 2hiy h LEU 28 Cb 0.11 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2hiy h LEU 28 CO -0.03 0.49 0.04 0.74 0.09 0.00 0.00 178.44 179.76 2hiy h THR 29 N 0.03 1.24 -0.32 0.22 2.02 -0.89 -1.54 112.91 113.67 2hiy h THR 29 Ca -0.00 -0.87 -0.03 0.00 0.77 0.00 0.00 66.41 66.28 2hiy h THR 29 Cb 0.82 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 2hiy h THR 29 CO 0.06 0.29 0.08 0.78 0.37 0.00 0.00 175.52 177.09 2hiy h ASN 30 N 0.39 0.42 0.47 4.18 2.35 -0.62 -1.25 115.58 121.52 2hiy h ASN 30 Ca 0.10 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2hiy h ASN 30 Cb 0.38 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2hiy h ASN 30 CO 0.01 0.43 0.00 0.25 -1.65 0.00 0.00 177.43 176.47 2hiy h LEU 31 N 0.46 0.00 0.00 1.61 5.85 -0.68 -3.46 115.31 119.08 2hiy h LEU 31 Ca 0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2hiy h LEU 31 Cb 0.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.21 2hiy h LEU 31 CO -0.00 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.71 2hiy n GLY 32 N -0.56 1.11 3.86 3.75 0.00 -0.47 -5.08 105.19 107.79 2hiy n GLY 32 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 4.04 0.16 0.99 1.43 -0.61 -5.00 118.68 119.70 2hiy s LEU 33 Ca 0.00 1.21 0.09 0.00 -1.03 0.00 0.00 54.13 54.39 2hiy s LEU 33 Cb 0.00 -4.02 -0.04 0.00 0.03 0.00 0.00 46.19 42.16 2hiy s LEU 33 CO 0.00 -0.22 -0.10 -1.61 0.23 0.00 0.00 176.35 174.65 2hiy s GLU 34 N -3.10 2.04 -1.35 1.70 2.02 -0.56 -4.16 118.70 115.29 2hiy s GLU 34 Ca 0.53 -1.22 -0.01 0.00 0.02 0.00 0.00 54.97 54.29 2hiy s GLU 34 Cb -0.10 -2.18 -0.00 0.00 0.10 0.00 0.00 34.13 31.95 2hiy s GLU 34 CO 0.20 0.45 0.54 1.63 0.02 0.00 0.00 175.26 178.10 2hiy n LYS 35 N 0.22 -3.84 -2.57 1.61 5.02 -1.26 -0.37 118.16 116.96 2hiy n LYS 35 Ca -0.12 0.49 -0.42 0.00 -2.02 0.00 0.00 58.31 56.24 2hiy n LYS 35 Cb 0.55 -4.77 -0.03 0.00 -0.02 0.00 0.00 35.03 30.76 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 -3.83 4.49 0.12 -0.18 1.01 -1.26 -4.42 120.40 116.33 2hiy s VAL 36 Ca 0.02 1.79 0.04 0.00 0.00 0.00 0.00 61.98 63.82 2hiy s VAL 36 Cb -0.01 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2hiy s VAL 36 CO 0.86 0.06 -0.10 -1.61 0.00 0.00 0.00 175.10 174.31 2hiy s GLU 37 N 1.64 0.94 0.08 2.72 2.02 0.15 -4.98 118.70 121.26 2hiy s GLU 37 Ca 0.54 -1.30 0.05 0.00 0.02 0.00 0.00 54.97 54.27 2hiy s GLU 37 Cb -0.23 -0.54 -0.03 0.00 0.10 0.00 0.00 34.13 33.43 2hiy s GLU 37 CO 0.24 0.07 -0.13 -1.54 0.02 0.00 0.00 175.26 173.92 2hiy s SER 38 N -2.82 1.60 -0.15 -0.19 1.04 -1.26 -0.64 113.70 111.28 2hiy s SER 38 Ca 0.11 -0.68 0.02 0.00 0.48 0.00 0.00 55.95 55.88 2hiy s SER 38 Cb 0.00 -0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.10 2hiy s SER 38 CO -0.00 -0.13 -0.20 -0.47 0.98 0.00 0.00 173.24 173.41 2hiy s TYR 39 N -1.63 2.72 0.00 5.02 5.04 -0.15 -5.02 117.35 123.33 2hiy s TYR 39 Ca 0.00 -1.35 0.00 0.00 -2.44 0.00 0.00 57.07 53.29 2hiy s TYR 39 Cb -0.08 -1.86 0.00 0.00 0.35 0.00 0.00 41.96 40.37 2hiy s TYR 39 CO 0.02 -0.63 0.00 0.44 -1.34 0.00 0.00 175.55 174.04 2hiy n ILE 40 N 4.20 0.00 -0.48 3.14 -5.35 -1.26 -4.12 119.36 115.50 2hiy n ILE 40 Ca -0.20 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 2hiy n ILE 40 Cb 0.51 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 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 -2.64 0.66 -0.21 7.28 5.15 -1.26 -4.75 115.26 119.49 2hiy n ASN 41 Ca 0.00 -1.14 0.14 0.00 -0.60 0.00 0.00 54.58 52.99 2hiy n ASN 41 Cb 0.00 0.00 0.60 0.00 -0.53 0.00 0.00 39.78 39.85 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 -0.07 0.76 0.00 1.20 3.41 -1.26 -4.71 113.62 112.95 2hiy n SER 42 Ca 0.00 -0.92 0.00 0.00 -0.26 0.00 0.00 58.87 57.69 2hiy n SER 42 Cb 0.18 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 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 1.22 0.79 2.74 5.00 0.00 -1.26 -4.60 105.19 109.09 2hiy n GLY 43 Ca 0.17 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.62 3.89 0.00 1.61 0.01 -1.26 -1.38 114.94 116.20 2hiy s ASN 44 Ca 0.00 -1.52 0.06 0.00 -0.71 0.00 0.00 52.86 50.69 2hiy s ASN 44 Cb 0.00 -0.84 -0.03 0.00 0.41 0.00 0.00 41.25 40.79 2hiy s ASN 44 CO 0.00 -0.39 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.39 2hiy s ILE 45 N 1.64 2.78 -0.01 0.60 -1.09 0.05 -0.97 121.20 124.19 2hiy s ILE 45 Ca 0.08 -1.03 0.04 0.00 -2.23 0.00 0.00 60.65 57.51 2hiy s ILE 45 Cb -0.17 -2.12 -0.01 0.00 -1.58 0.00 0.00 42.46 38.58 2hiy s ILE 45 CO -0.22 0.45 -0.15 -0.36 -1.23 0.00 0.00 174.94 173.43 2hiy s PHE 46 N -0.82 1.32 0.21 3.97 0.08 0.19 0.33 117.98 123.26 2hiy s PHE 46 Ca 0.13 -0.26 -0.16 0.00 0.12 0.00 0.00 56.93 56.77 2hiy s PHE 46 Cb -0.10 -0.85 0.02 0.00 -0.57 0.00 0.00 43.02 41.51 2hiy s PHE 46 CO 0.03 -0.03 0.51 -0.59 -0.10 0.00 0.00 175.22 175.04 2hiy s PHE 47 N -0.32 0.04 -0.00 0.36 -0.12 -0.71 -0.67 117.98 116.56 2hiy s PHE 47 Ca 0.05 -0.41 0.07 0.00 -0.05 0.00 0.00 56.93 56.59 2hiy s PHE 47 Cb -0.06 0.33 -0.03 0.00 -0.63 0.00 0.00 43.02 42.64 2hiy s PHE 47 CO -0.00 -0.95 -0.22 0.99 -0.05 0.00 0.00 175.22 174.98 2hiy s THR 48 N -3.92 2.42 -0.11 -4.49 2.01 0.50 -0.37 115.64 111.67 2hiy s THR 48 Ca 0.13 -1.09 -0.29 0.00 0.31 0.00 0.00 61.69 60.76 2hiy s THR 48 Cb -0.01 -1.92 0.07 0.00 0.01 0.00 0.00 72.50 70.65 2hiy s THR 48 CO 0.01 0.50 0.68 -0.55 -0.69 0.00 0.00 174.62 174.58 2hiy s SER 49 N -0.90 -0.68 0.00 3.53 0.15 -0.26 -1.50 113.70 114.05 2hiy s SER 49 Ca 0.11 0.92 0.23 0.00 0.70 0.00 0.00 55.95 57.91 2hiy s SER 49 Cb -0.10 0.81 0.14 0.00 -1.71 0.00 0.00 66.02 65.15 2hiy s SER 49 CO 0.01 -0.50 1.19 0.00 1.20 0.00 0.00 173.24 175.14 2hiy n ILE 50 N 1.45 0.00 -1.36 6.45 3.06 -1.26 -1.27 119.36 126.43 2hiy n ILE 50 Ca -0.18 -0.45 -0.32 0.00 -2.50 0.00 0.00 62.75 59.30 2hiy n ILE 50 Cb 0.56 1.43 0.09 0.00 0.54 0.00 0.00 39.64 42.26 2hiy n ILE 50 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2hiy s ASP 51 N -2.01 4.41 0.54 9.51 -1.08 -1.26 -4.38 116.67 122.40 2hiy s ASP 51 Ca 0.25 2.01 -0.20 0.00 -0.52 0.00 0.00 52.55 54.09 2hiy s ASP 51 Cb 0.19 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 39.05 2hiy s ASP 51 CO 0.34 -2.10 1.20 -0.94 0.52 0.00 0.00 175.17 174.19 2hiy s SER 52 N -2.83 5.55 0.31 -0.34 1.04 -1.26 -4.59 113.70 111.58 2hiy s SER 52 Ca 0.66 2.38 0.00 0.00 0.48 0.00 0.00 55.95 59.47 2hiy s SER 52 Cb -0.21 -2.60 0.51 0.00 0.10 0.00 0.00 66.02 63.82 2hiy s SER 52 CO 0.50 -1.35 1.94 0.50 0.98 0.00 0.00 173.24 175.81 2hiy h LYS 53 N 1.33 1.01 -0.85 4.02 3.64 -1.95 -0.64 116.57 123.14 2hiy h LYS 53 Ca -0.50 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 58.83 2hiy h LYS 53 Cb 1.28 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.83 2hiy h LYS 53 CO 0.57 0.67 0.56 0.00 -2.27 0.00 0.00 179.45 178.98 2hiy h ALA 54 N 1.51 1.08 -0.14 5.00 0.00 -2.00 0.05 119.26 124.75 2hiy h ALA 54 Ca 0.35 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 55.04 2hiy h ALA 54 Cb 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2hiy h ALA 54 CO -0.11 0.47 -0.60 1.96 0.00 0.00 0.00 179.25 180.97 2hiy h GLN 55 N 1.14 0.47 -0.43 0.00 4.20 -1.80 -2.06 115.11 116.63 2hiy h GLN 55 Ca 0.31 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2hiy h GLN 55 Cb -0.12 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 2hiy h GLN 55 CO -0.07 0.93 0.24 -0.07 -0.67 0.00 0.00 178.83 179.18 2hiy h LEU 56 N 0.35 0.54 -0.53 1.46 3.38 -0.52 -0.30 115.31 119.70 2hiy h LEU 56 Ca -0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2hiy h LEU 56 Cb 1.14 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 2hiy h LEU 56 CO 0.11 0.48 0.28 0.58 0.09 0.00 0.00 178.44 179.98 2hiy h VAL 57 N 0.56 1.18 -0.55 1.22 2.07 -0.95 -0.40 116.25 119.40 2hiy h VAL 57 Ca 0.15 -0.48 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 2hiy h VAL 57 Cb 0.06 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2hiy h VAL 57 CO -0.02 0.20 0.16 -0.08 0.02 0.00 0.00 177.57 177.85 2hiy h GLU 58 N 0.71 0.86 -0.65 1.57 4.81 -1.18 -0.08 114.58 120.62 2hiy h GLU 58 Ca 0.19 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 2hiy h GLU 58 Cb 0.06 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 2hiy h GLU 58 CO -0.03 0.79 0.12 0.87 -0.73 0.00 0.00 179.01 180.04 2hiy h LYS 59 N 0.77 1.07 -0.38 1.92 1.57 -0.85 -1.32 116.57 119.35 2hiy h LYS 59 Ca 0.18 -0.28 -0.14 0.00 -1.87 0.00 0.00 60.65 58.54 2hiy h LYS 59 Cb 0.30 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2hiy h LYS 59 CO -0.00 0.98 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.48 2hiy h LEU 60 N 0.99 0.93 -0.42 2.94 3.38 -0.85 0.59 115.31 122.87 2hiy h LEU 60 Ca 0.20 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.75 2hiy h LEU 60 Cb 0.42 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2hiy h LEU 60 CO 0.01 1.18 0.23 -0.33 0.09 0.00 0.00 178.44 179.62 2hiy h GLU 61 N 0.69 0.44 -0.62 1.13 5.08 -0.84 -0.13 114.58 120.32 2hiy h GLU 61 Ca 0.07 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 2hiy h GLU 61 Cb 0.89 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 2hiy h GLU 61 CO 0.08 0.29 0.15 1.15 -1.00 0.00 0.00 179.01 179.68 2hiy h THR 62 N 0.45 1.25 0.03 1.13 2.02 -1.14 -1.64 112.91 115.02 2hiy h THR 62 Ca 0.18 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.43 2hiy h THR 62 Cb 0.06 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2hiy h THR 62 CO -0.11 0.35 -0.03 0.15 0.37 0.00 0.00 175.52 176.25 2hiy h PHE 63 N 0.92 -0.07 -0.65 3.16 3.57 -0.48 -2.79 116.94 120.60 2hiy h PHE 63 Ca 0.20 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 2hiy h PHE 63 Cb 0.36 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 2hiy h PHE 63 CO 0.03 -0.04 0.08 0.74 -2.23 0.00 0.00 178.31 176.88 2hiy h PHE 64 N -0.06 1.17 -0.50 0.41 0.04 -0.97 -0.42 116.94 116.60 2hiy h PHE 64 Ca 0.00 -0.17 0.09 0.00 2.80 0.00 0.00 57.97 60.69 2hiy h PHE 64 Cb 0.06 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 37.86 2hiy h PHE 64 CO -0.09 0.99 0.34 0.00 -0.60 0.00 0.00 178.31 178.95 2hiy h ALA 65 N 1.06 2.06 0.07 2.45 0.00 -1.14 0.49 119.26 124.24 2hiy h ALA 65 Ca 0.19 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.83 2hiy h ALA 65 Cb 0.47 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2hiy h ALA 65 CO 0.02 -0.17 -1.41 0.28 0.00 0.00 0.00 179.25 177.97 2hiy h VAL 66 N 0.32 0.93 0.01 0.00 2.07 -1.22 -3.39 116.25 114.97 2hiy h VAL 66 Ca 0.23 -2.30 -0.35 0.00 0.82 0.00 0.00 66.70 65.10 2hiy h VAL 66 Cb 0.49 2.51 -0.06 0.00 -1.52 0.00 0.00 31.29 32.71 2hiy h VAL 66 CO -0.05 0.59 -2.18 1.41 0.02 0.00 0.00 177.57 177.36 2hiy n HIS 67 N -4.06 0.41 -3.15 1.57 -0.00 -0.19 -4.71 115.22 105.08 2hiy n HIS 67 Ca -0.29 0.13 -0.22 0.00 -0.00 0.00 0.00 57.72 57.35 2hiy n HIS 67 Cb 0.83 -1.07 -0.06 0.00 -0.00 0.00 0.00 29.99 29.69 2hiy n HIS 67 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2hiy n TYR 68 N -2.99 -1.05 0.31 4.41 4.01 0.12 -5.01 117.16 116.96 2hiy n TYR 68 Ca -0.31 -3.17 0.11 0.00 -0.16 0.00 0.00 57.90 54.38 2hiy n TYR 68 Cb 1.09 0.12 0.49 0.00 -0.31 0.00 0.00 39.34 40.73 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 1.81 0.16 0.00 -0.72 -0.04 -0.91 -0.75 135.00 134.55 2hiy n PRO 69 Ca 0.21 0.49 0.12 0.00 -0.04 0.00 0.00 63.50 64.27 2hiy n PRO 69 Cb 0.53 -1.87 0.53 0.00 -0.04 0.00 0.00 33.50 32.66 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 -2.17 0.00 -2.87 0.54 1.16 -1.26 -4.45 117.46 108.40 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 -0.46 -0.03 0.00 -1.61 0.00 0.00 39.48 37.52 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 -2.93 4.42 -1.15 1.97 1.01 0.07 -4.82 121.20 119.77 2hiy s ILE 71 Ca 0.14 -0.68 0.10 0.00 0.00 0.00 0.00 60.65 60.20 2hiy s ILE 71 Cb 0.16 -4.72 0.12 0.00 0.01 0.00 0.00 42.46 38.03 2hiy s ILE 71 CO 0.43 -1.48 0.89 0.00 0.00 0.00 0.00 174.94 174.78 2hiy n GLN 72 N 7.44 0.85 -3.70 2.79 6.02 -1.26 -4.73 117.38 124.79 2hiy n GLN 72 Ca 0.04 -1.26 -0.11 0.00 -0.01 0.00 0.00 57.00 55.66 2hiy n GLN 72 Cb 0.46 -1.20 -0.06 0.00 1.02 0.00 0.00 30.24 30.47 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 -0.86 -0.18 0.06 1.08 1.04 -1.26 -5.06 113.70 108.53 2hiy s SER 73 Ca 0.13 -0.24 -0.21 0.00 0.48 0.00 0.00 55.95 56.11 2hiy s SER 73 Cb 0.09 0.41 0.05 0.00 0.10 0.00 0.00 66.02 66.67 2hiy s SER 73 CO 0.13 -0.73 0.50 0.72 0.98 0.00 0.00 173.24 174.84 2hiy s PHE 74 N -3.13 -0.38 -0.14 5.02 -0.12 -1.26 -4.51 117.98 113.45 2hiy s PHE 74 Ca -0.01 0.35 -0.08 0.00 -0.05 0.00 0.00 56.93 57.15 2hiy s PHE 74 Cb 0.01 0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 42.69 2hiy s PHE 74 CO -0.07 -0.65 0.13 -1.12 -0.05 0.00 0.00 175.22 173.45 2hiy s SER 75 N -2.13 6.25 -0.10 1.98 0.01 -0.09 -0.97 113.70 118.65 2hiy s SER 75 Ca -0.04 0.37 -0.02 0.00 1.31 0.00 0.00 55.95 57.58 2hiy s SER 75 Cb -0.00 -2.04 0.03 0.00 0.21 0.00 0.00 66.02 64.22 2hiy s SER 75 CO -0.04 0.34 0.01 -0.22 0.41 0.00 0.00 173.24 173.74 2hiy s LEU 76 N -0.59 0.67 0.03 2.44 2.96 -1.26 -1.00 118.68 121.93 2hiy s LEU 76 Ca 0.12 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 53.77 2hiy s LEU 76 Cb -0.12 -0.45 -0.01 0.00 0.50 0.00 0.00 46.19 46.11 2hiy s LEU 76 CO 0.02 -0.22 0.06 -1.48 -1.32 0.00 0.00 176.35 173.41 2hiy s LEU 77 N 1.96 1.94 0.42 -0.68 0.05 -0.56 -4.98 118.68 116.84 2hiy s LEU 77 Ca 0.04 -0.54 0.04 0.00 0.05 0.00 0.00 54.13 53.71 2hiy s LEU 77 Cb -0.13 0.46 0.00 0.00 -2.05 0.00 0.00 46.19 44.47 2hiy s LEU 77 CO -0.06 -0.46 0.60 -0.94 -0.55 0.00 0.00 176.35 174.94 2hiy s SER 78 N -2.00 5.76 0.20 1.48 1.04 -1.26 -0.39 113.70 118.53 2hiy s SER 78 Ca -0.07 -0.05 -0.10 0.00 0.48 0.00 0.00 55.95 56.21 2hiy s SER 78 Cb -0.03 -1.17 0.23 0.00 0.10 0.00 0.00 66.02 65.16 2hiy s SER 78 CO -0.04 -0.69 1.78 0.25 0.98 0.00 0.00 173.24 175.52 2hiy h LEU 79 N 0.56 0.41 -0.51 2.42 5.85 -1.41 -1.28 115.31 121.34 2hiy h LEU 79 Ca -0.44 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.39 2hiy h LEU 79 Cb 1.27 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.21 2hiy h LEU 79 CO 0.53 0.26 0.19 -0.08 -0.34 0.00 0.00 178.44 179.00 2hiy h GLU 80 N 0.56 0.36 -0.54 1.25 4.81 -1.95 0.44 114.58 119.51 2hiy h GLU 80 Ca 0.28 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.52 2hiy h GLU 80 Cb 0.24 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 2hiy h GLU 80 CO -0.21 0.24 0.31 -0.44 -0.73 0.00 0.00 179.01 178.18 2hiy h ASP 81 N 0.37 0.49 -0.43 1.04 3.32 -1.77 -1.32 116.42 118.12 2hiy h ASP 81 Ca 0.25 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.19 2hiy h ASP 81 Cb 0.26 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2hiy h ASP 81 CO -0.25 0.34 -0.18 0.15 -1.72 0.00 0.00 179.24 177.59 2hiy h PHE 82 N 0.61 1.01 -0.45 4.55 3.57 -0.60 -1.93 116.94 123.69 2hiy h PHE 82 Ca 0.22 -0.24 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 2hiy h PHE 82 Cb 0.05 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 2hiy h PHE 82 CO -0.07 1.02 0.02 0.93 -2.23 0.00 0.00 178.31 177.97 2hiy h GLU 83 N 0.70 0.73 -0.71 1.11 5.08 -0.67 -1.00 114.58 119.82 2hiy h GLU 83 Ca 0.10 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2hiy h GLU 83 Cb 0.74 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 2hiy h GLU 83 CO 0.06 0.73 0.32 0.00 -1.00 0.00 0.00 179.01 179.12 2hiy h ALA 84 N 1.33 0.91 -0.53 3.43 0.00 -1.02 -2.64 119.26 120.75 2hiy h ALA 84 Ca 0.14 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2hiy h ALA 84 Cb 0.40 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2hiy h ALA 84 CO 0.01 0.50 0.30 1.49 0.00 0.00 0.00 179.25 181.55 2hiy h GLU 85 N 1.00 0.57 0.00 0.00 4.57 -0.55 -2.25 114.58 117.92 2hiy h GLU 85 Ca 0.24 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 2hiy h GLU 85 Cb 0.15 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 2hiy h GLU 85 CO -0.03 0.38 0.00 -0.07 -1.18 0.00 0.00 179.01 178.11 2hiy h LEU 86 N 0.59 0.00 -0.16 1.64 3.38 -0.86 -0.09 115.31 119.82 2hiy h LEU 86 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2hiy h LEU 86 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2hiy h LEU 86 CO -0.12 0.00 -0.09 -0.62 0.09 0.00 0.00 178.44 177.70 2hiy n GLU 87 N -2.64 0.58 -2.70 1.13 -0.58 -0.85 -4.13 120.64 111.45 2hiy n GLU 87 Ca -0.02 -0.16 -0.06 0.00 -0.42 0.00 0.00 57.16 56.50 2hiy n GLU 87 Cb 0.07 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.48 2hiy n GLU 87 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2hiy n ASN 88 N -1.07 1.93 -4.76 1.62 3.02 -0.05 -5.09 115.26 110.87 2hiy n ASN 88 Ca 0.14 -2.44 -0.40 0.00 -0.03 0.00 0.00 54.58 51.85 2hiy n ASN 88 Cb 0.27 -0.48 -0.06 0.00 -0.61 0.00 0.00 39.78 38.90 2hiy n ASN 88 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2hiy s LEU 89 N -3.57 4.60 0.62 3.41 1.43 -1.23 -5.02 118.68 118.92 2hiy s LEU 89 Ca 0.30 1.80 -0.19 0.00 -1.03 0.00 0.00 54.13 55.00 2hiy s LEU 89 Cb 0.37 -3.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.10 2hiy s LEU 89 CO -0.02 0.15 1.32 -2.84 0.23 0.00 0.00 176.35 175.19 2hiy s PRO 90 N -0.99 2.71 0.42 1.29 0.02 -1.26 -4.89 135.00 132.30 2hiy s PRO 90 Ca 0.40 2.12 0.12 0.00 0.02 0.00 0.00 61.00 63.66 2hiy s PRO 90 Cb -0.24 -1.96 0.92 0.00 0.02 0.00 0.00 34.50 33.24 2hiy s PRO 90 CO 0.29 -1.49 1.97 0.00 -0.33 0.00 0.00 177.00 177.44 2hiy h ALA 91 N 0.79 1.63 0.00 -1.55 0.00 -2.03 -1.47 119.26 116.64 2hiy h ALA 91 Ca -0.51 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2hiy h ALA 91 Cb 1.33 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2hiy h ALA 91 CO 0.54 0.27 0.00 -2.67 0.00 0.00 0.00 179.25 177.39 2hiy n TRP 92 N -4.32 0.90 0.27 0.00 4.27 -1.26 -3.16 117.44 114.14 2hiy n TRP 92 Ca -0.02 0.29 0.14 0.00 -3.89 0.00 0.00 57.50 54.03 2hiy n TRP 92 Cb 0.24 -0.97 0.78 0.00 -1.36 0.00 0.00 31.31 29.99 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 -0.64 -2.67 2.91 -1.62 -1.78 115.95 112.15 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 0.60 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.25 2hiy h TRP 93 CO 0.00 0.09 0.00 0.43 -1.03 0.00 0.00 178.44 177.93 2hiy n SER 94 N -3.53 3.86 -4.94 2.65 7.64 -1.19 -4.96 113.62 113.15 2hiy n SER 94 Ca -0.02 -2.15 -0.19 0.00 1.01 0.00 0.00 58.87 57.52 2hiy n SER 94 Cb 0.22 -0.48 -0.01 0.00 -1.01 0.00 0.00 64.21 62.93 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 -1.37 2.82 -1.41 1.43 0.52 -0.67 -5.02 118.95 115.25 2hiy s ARG 95 Ca 0.45 -1.25 -0.08 0.00 -0.52 0.00 0.00 55.73 54.33 2hiy s ARG 95 Cb 0.26 -2.63 0.01 0.00 0.52 0.00 0.00 34.95 33.11 2hiy s ARG 95 CO 0.27 -0.08 2.70 -3.47 0.02 0.00 0.00 175.30 174.75 2hiy n ASP 96 N -1.62 8.28 -4.79 0.23 2.03 -1.26 -4.94 116.55 114.48 2hiy n ASP 96 Ca 0.03 -2.86 -0.33 0.00 0.52 0.00 0.00 54.79 52.15 2hiy n ASP 96 Cb 0.59 -1.45 0.02 0.00 -0.72 0.00 0.00 41.12 39.57 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 -1.01 3.47 0.22 -2.67 1.02 -1.26 -4.94 118.68 113.50 2hiy s LEU 97 Ca 0.62 1.89 -0.08 0.00 0.02 0.00 0.00 54.13 56.58 2hiy s LEU 97 Cb 0.19 -4.54 0.18 0.00 0.02 0.00 0.00 46.19 42.04 2hiy s LEU 97 CO -0.08 -1.33 1.86 0.00 0.02 0.00 0.00 176.35 176.81 2hiy h ALA 98 N 0.31 1.07 -3.54 4.21 0.00 -0.96 -3.43 119.26 116.92 2hiy h ALA 98 Ca -0.47 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.10 2hiy h ALA 98 Cb 1.23 -0.34 -0.29 0.00 0.00 0.00 0.00 17.79 18.39 2hiy h ALA 98 CO 0.56 0.55 -0.66 1.03 0.00 0.00 0.00 179.25 180.73 2hiy s ARG 99 N -5.93 0.05 -0.06 0.00 0.52 -0.83 -4.97 118.95 107.74 2hiy s ARG 99 Ca -0.13 0.13 -0.00 0.00 -0.52 0.00 0.00 55.73 55.21 2hiy s ARG 99 Cb 0.16 -0.04 0.02 0.00 0.52 0.00 0.00 34.95 35.61 2hiy s ARG 99 CO 0.81 -0.06 -0.03 0.15 0.02 0.00 0.00 175.30 176.20 2hiy s LYS 100 N 0.35 0.78 0.09 3.54 1.02 -1.26 -0.39 119.74 123.87 2hiy s LYS 100 Ca -0.03 -0.02 0.07 0.00 0.02 0.00 0.00 55.97 56.01 2hiy s LYS 100 Cb -0.04 -0.95 -0.03 0.00 -0.52 0.00 0.00 37.83 36.29 2hiy s LYS 100 CO -0.01 -0.19 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.54 2hiy s ASP 101 N 1.43 2.09 -0.13 2.83 1.01 -0.46 -1.02 116.67 122.43 2hiy s ASP 101 Ca -0.03 -0.66 0.00 0.00 0.71 0.00 0.00 52.55 52.58 2hiy s ASP 101 Cb -0.13 -0.09 -0.01 0.00 1.01 0.00 0.00 42.92 43.70 2hiy s ASP 101 CO -0.03 -0.01 -0.15 0.12 0.21 0.00 0.00 175.17 175.31 2hiy s PHE 102 N -1.24 2.77 -0.60 4.23 5.36 0.91 -0.90 117.98 128.51 2hiy s PHE 102 Ca 0.02 -0.81 -0.16 0.00 -0.96 0.00 0.00 56.93 55.03 2hiy s PHE 102 Cb -0.10 -1.84 0.15 0.00 -0.34 0.00 0.00 43.02 40.88 2hiy s PHE 102 CO 0.03 -0.32 0.55 -0.51 -1.46 0.00 0.00 175.22 173.52 2hiy s LEU 103 N 0.50 6.31 0.06 6.12 1.02 0.16 -1.23 118.68 131.61 2hiy s LEU 103 Ca -0.10 -1.98 -0.30 0.00 0.02 0.00 0.00 54.13 51.77 2hiy s LEU 103 Cb -0.16 -2.21 -0.05 0.00 0.02 0.00 0.00 46.19 43.79 2hiy s LEU 103 CO 0.04 -0.80 1.15 -0.36 0.02 0.00 0.00 176.35 176.41 2hiy s PHE 104 N 1.30 3.49 0.74 0.29 0.08 0.12 -1.13 117.98 122.87 2hiy s PHE 104 Ca 0.06 1.39 -0.14 0.00 0.12 0.00 0.00 56.93 58.36 2hiy s PHE 104 Cb -0.26 -3.36 0.04 0.00 -0.57 0.00 0.00 43.02 38.88 2hiy s PHE 104 CO 0.01 -1.01 1.17 0.71 -0.10 0.00 0.00 175.22 175.99 2hiy s TYR 105 N 0.96 2.15 0.34 0.36 2.02 -0.17 -0.99 117.35 122.02 2hiy s TYR 105 Ca 0.57 1.61 0.08 0.00 -0.37 0.00 0.00 57.07 58.96 2hiy s TYR 105 Cb -0.28 -3.37 -0.05 0.00 -0.40 0.00 0.00 41.96 37.86 2hiy s TYR 105 CO 0.29 -2.39 0.10 0.95 -1.57 0.00 0.00 175.55 172.93 2hiy s THR 106 N -2.19 2.86 0.16 -0.71 -4.23 -1.24 -4.45 115.64 105.85 2hiy s THR 106 Ca 0.71 -1.79 -0.32 0.00 -1.18 0.00 0.00 61.69 59.12 2hiy s THR 106 Cb -0.26 -2.92 -0.10 0.00 1.34 0.00 0.00 72.50 70.56 2hiy s THR 106 CO 0.46 -0.18 1.63 -1.61 -0.54 0.00 0.00 174.62 174.39 2hiy s GLU 107 N -3.80 4.19 0.00 3.99 0.41 -0.15 -2.10 118.70 121.24 2hiy s GLU 107 Ca 0.37 2.44 0.00 0.00 -0.41 0.00 0.00 54.97 57.36 2hiy s GLU 107 Cb -0.01 -3.22 0.00 0.00 -1.78 0.00 0.00 34.13 29.12 2hiy s GLU 107 CO 0.22 -0.67 0.00 0.41 -0.49 0.00 0.00 175.26 174.72 2hiy n GLY 108 N 3.87 1.10 3.76 -1.39 0.00 -1.26 -4.81 105.19 106.46 2hiy n GLY 108 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 4.46 -0.96 0.99 2.96 -0.89 -4.94 118.68 120.30 2hiy s LEU 109 Ca 0.00 2.48 -0.23 0.00 -0.22 0.00 0.00 54.13 56.16 2hiy s LEU 109 Cb 0.00 -3.63 0.06 0.00 0.50 0.00 0.00 46.19 43.12 2hiy s LEU 109 CO 0.00 -0.42 1.37 -0.62 -1.32 0.00 0.00 176.35 175.36 2hiy s ASP 110 N -0.36 6.47 0.33 3.68 -1.08 -1.26 -4.85 116.67 119.60 2hiy s ASP 110 Ca 0.50 -1.41 0.01 0.00 -0.52 0.00 0.00 52.55 51.12 2hiy s ASP 110 Cb -0.36 -2.54 0.57 0.00 -1.46 0.00 0.00 42.92 39.12 2hiy s ASP 110 CO 0.45 -1.48 2.00 0.58 0.52 0.00 0.00 175.17 177.24 2hiy h VAL 111 N 6.54 1.18 -0.56 1.11 2.07 -1.97 -1.74 116.25 122.89 2hiy h VAL 111 Ca 0.12 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 2hiy h VAL 111 Cb 1.02 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2hiy h VAL 111 CO 1.36 0.17 0.23 0.44 0.02 0.00 0.00 177.57 179.79 2hiy h ASP 112 N 0.95 0.73 -0.60 0.57 3.32 -1.99 0.28 116.42 119.67 2hiy h ASP 112 Ca 0.26 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.12 2hiy h ASP 112 Cb -0.11 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 2hiy h ASP 112 CO -0.06 0.65 -0.01 -0.61 -1.72 0.00 0.00 179.24 177.49 2hiy h GLN 113 N 0.80 1.06 -0.65 3.56 5.75 -1.74 -1.52 115.11 122.36 2hiy h GLN 113 Ca 0.19 -0.34 0.00 0.00 -0.15 0.00 0.00 58.65 58.35 2hiy h GLN 113 Cb 0.14 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 2hiy h GLN 113 CO -0.02 1.04 0.42 0.28 -2.65 0.00 0.00 178.83 177.91 2hiy h VAL 114 N 0.96 1.17 -0.50 2.39 2.07 -0.86 -0.61 116.25 120.88 2hiy h VAL 114 Ca 0.17 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2hiy h VAL 114 Cb 0.57 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2hiy h VAL 114 CO 0.03 0.17 0.27 0.40 0.02 0.00 0.00 177.57 178.46 2hiy h ILE 115 N 0.89 1.17 -0.61 4.57 2.04 -0.84 0.87 117.51 125.59 2hiy h ILE 115 Ca 0.24 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.60 2hiy h ILE 115 Cb -0.08 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 2hiy h ILE 115 CO -0.05 0.18 0.19 0.00 0.00 0.00 0.00 178.15 178.47 2hiy h ALA 116 N 1.11 0.81 -0.18 1.87 0.00 -0.90 0.94 119.26 122.91 2hiy h ALA 116 Ca 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2hiy h ALA 116 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2hiy h ALA 116 CO -0.03 0.48 0.06 1.15 0.00 0.00 0.00 179.25 180.91 2hiy h THR 117 N 0.88 1.18 -0.84 0.00 2.02 -0.78 -2.08 112.91 113.29 2hiy h THR 117 Ca 0.20 -0.56 -0.04 0.00 0.77 0.00 0.00 66.41 66.79 2hiy h THR 117 Cb 0.29 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 2hiy h THR 117 CO -0.01 0.17 0.39 0.58 0.37 0.00 0.00 175.52 177.03 2hiy h VAL 118 N 0.12 1.26 0.00 3.16 2.07 -0.58 -1.83 116.25 120.45 2hiy h VAL 118 Ca 0.06 -0.76 -0.02 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 0.32 -0.10 -0.33 0.02 0.00 0.00 177.57 177.48 2hiy h GLU 119 N 1.21 0.00 0.00 1.57 5.08 -0.63 -1.74 114.58 120.07 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 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2hiy h GLU 119 CO -0.03 0.10 0.00 -1.13 -1.00 0.00 0.00 179.01 176.95 2hiy n SER 120 N -3.47 0.74 -4.76 1.42 3.41 -0.69 -4.83 113.62 105.43 2hiy n SER 120 Ca -0.01 0.63 -0.40 0.00 -0.26 0.00 0.00 58.87 58.83 2hiy n SER 120 Cb 0.25 -0.81 -0.06 0.00 -0.26 0.00 0.00 64.21 63.34 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 -4.52 4.61 -0.56 1.04 1.43 -0.66 -5.00 118.68 115.03 2hiy s LEU 121 Ca 0.07 1.80 -0.26 0.00 -1.03 0.00 0.00 54.13 54.71 2hiy s LEU 121 Cb 0.11 -3.47 0.04 0.00 0.03 0.00 0.00 46.19 42.89 2hiy s LEU 121 CO 0.48 0.16 1.04 -0.70 0.23 0.00 0.00 176.35 177.56 2hiy s GLU 122 N -1.07 3.41 0.48 1.70 2.12 -1.26 -5.01 118.70 119.06 2hiy s GLU 122 Ca 0.39 -0.06 -0.21 0.00 0.36 0.00 0.00 54.97 55.45 2hiy s GLU 122 Cb -0.25 -4.04 -0.08 0.00 0.26 0.00 0.00 34.13 30.03 2hiy s GLU 122 CO 0.29 -1.56 1.09 -0.51 -0.54 0.00 0.00 175.26 174.03 2hiy s LEU 123 N 4.34 3.91 0.00 2.70 1.43 -1.26 -4.42 118.68 125.38 2hiy s LEU 123 Ca 0.35 2.08 0.00 0.00 -1.03 0.00 0.00 54.13 55.54 2hiy s LEU 123 Cb -0.10 -4.43 0.00 0.00 0.03 0.00 0.00 46.19 41.68 2hiy s LEU 123 CO 0.22 -0.86 0.00 0.29 0.23 0.00 0.00 176.35 176.23 2hiy n LYS 124 N -0.79 0.00 -2.38 1.70 4.76 -1.26 -4.96 118.16 115.23 2hiy n LYS 124 Ca 0.09 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.10 2hiy n LYS 124 Cb 0.51 0.00 0.00 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 5.32 -3.50 4.39 2.03 -1.26 -4.81 116.55 118.71 2hiy n ASP 125 Ca 0.00 -3.14 -0.10 0.00 0.52 0.00 0.00 54.79 52.07 2hiy n ASP 125 Cb 0.00 -1.45 -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 0.01 1.14 0.04 -0.67 -1.05 -1.26 -2.12 118.70 114.78 2hiy s GLU 126 Ca 0.39 -0.46 0.01 0.00 -0.15 0.00 0.00 54.97 54.76 2hiy s GLU 126 Cb 0.10 0.50 -0.03 0.00 -0.44 0.00 0.00 34.13 34.26 2hiy s GLU 126 CO 0.01 -0.50 -0.05 0.14 0.95 0.00 0.00 175.26 175.81 2hiy s VAL 127 N -3.50 0.34 0.05 1.83 -7.23 -0.27 -5.00 120.40 106.62 2hiy s VAL 127 Ca 0.04 -1.18 -0.05 0.00 -1.81 0.00 0.00 61.98 58.98 2hiy s VAL 127 Cb -0.01 -0.68 -0.02 0.00 0.56 0.00 0.00 36.38 36.23 2hiy s VAL 127 CO -0.09 -0.55 0.07 -1.48 -0.31 0.00 0.00 175.10 172.74 2hiy s LEU 128 N -1.84 1.93 -0.04 1.32 0.05 -1.26 -0.57 118.68 118.27 2hiy s LEU 128 Ca -0.08 -0.67 -0.02 0.00 0.05 0.00 0.00 54.13 53.40 2hiy s LEU 128 Cb -0.06 0.55 0.03 0.00 -2.05 0.00 0.00 46.19 44.66 2hiy s LEU 128 CO -0.02 -0.56 0.10 -0.47 -0.55 0.00 0.00 176.35 174.85 2hiy s TYR 129 N -3.11 -0.09 -0.53 3.48 5.04 -0.21 -5.00 117.35 116.93 2hiy s TYR 129 Ca -0.01 0.31 -0.25 0.00 -2.44 0.00 0.00 57.07 54.69 2hiy s TYR 129 Cb 0.02 -0.09 0.04 0.00 0.35 0.00 0.00 41.96 42.27 2hiy s TYR 129 CO -0.07 -0.11 0.96 -0.06 -1.34 0.00 0.00 175.55 174.93 2hiy s PHE 130 N 0.82 2.81 0.00 4.97 0.08 -1.26 -1.36 117.98 124.04 2hiy s PHE 130 Ca -0.06 0.12 0.00 0.00 0.12 0.00 0.00 56.93 57.11 2hiy s PHE 130 Cb -0.09 -4.08 0.00 0.00 -0.57 0.00 0.00 43.02 38.28 2hiy s PHE 130 CO -0.03 -1.30 0.00 0.41 -0.10 0.00 0.00 175.22 174.19 2hiy n GLY 131 N 5.07 0.42 0.17 4.36 0.00 0.63 -5.00 105.19 110.84 2hiy n GLY 131 Ca 0.03 -1.90 -0.23 0.00 0.00 0.00 0.00 46.02 43.93 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 0.60 -0.01 1.61 1.63 -1.96 -3.34 116.57 115.10 2hiy h LYS 132 Ca 0.00 -0.84 0.00 0.00 -0.85 0.00 0.00 60.65 58.96 2hiy h LYS 132 Cb 0.00 0.29 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 2hiy h LYS 132 CO 0.00 1.39 -0.60 1.28 -3.45 0.00 0.00 179.45 178.07 2hiy n LEU 133 N -3.77 1.34 0.00 5.20 4.77 -1.26 -4.98 117.00 118.30 2hiy n LEU 133 Ca -0.14 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 2hiy n LEU 133 Cb 1.01 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 42.05 2hiy n LEU 133 CO 0.59 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 2hiy n GLY 134 N 1.44 -0.89 3.33 -0.72 0.00 -1.25 -1.00 105.19 106.09 2hiy n GLY 134 Ca 0.08 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 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 3.25 0.07 -0.61 1.01 -0.28 -0.26 121.20 121.38 2hiy s ILE 135 Ca 0.00 -0.55 -0.30 0.00 0.00 0.00 0.00 60.65 59.80 2hiy s ILE 135 Cb 0.00 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 2hiy s ILE 135 CO 0.00 0.46 1.01 -0.36 0.00 0.00 0.00 174.94 176.05 2hiy s PHE 136 N 1.12 3.70 -0.19 3.97 0.08 -0.46 -0.67 117.98 125.53 2hiy s PHE 136 Ca 0.01 1.69 -0.04 0.00 0.12 0.00 0.00 56.93 58.71 2hiy s PHE 136 Cb -0.15 -3.14 0.08 0.00 -0.57 0.00 0.00 43.02 39.25 2hiy s PHE 136 CO -0.01 -0.11 0.21 -0.46 -0.10 0.00 0.00 175.22 174.75 2hiy s TRP 137 N 0.44 -0.24 -0.07 0.36 -0.11 -0.07 -1.05 118.94 118.21 2hiy s TRP 137 Ca 0.50 0.25 -0.00 0.00 1.22 0.00 0.00 56.10 58.07 2hiy s TRP 137 Cb -0.24 -0.36 -0.03 0.00 -1.50 0.00 0.00 33.47 31.34 2hiy s TRP 137 CO 0.30 -0.55 -0.04 0.20 -4.62 0.00 0.00 176.95 172.24 2hiy s GLY 138 N 2.31 1.77 -0.13 5.86 0.00 0.26 -1.35 107.32 116.05 2hiy s GLY 138 Ca 0.06 -0.87 0.03 0.00 0.00 0.00 0.00 44.72 43.94 2hiy s GLY 138 CO -0.11 -0.65 -0.22 0.54 0.00 0.00 0.00 173.10 172.66 2hiy s LYS 139 N -0.93 3.06 0.19 2.90 3.01 0.48 -1.11 119.74 127.34 2hiy s LYS 139 Ca 0.14 -0.85 0.00 0.00 -1.01 0.00 0.00 55.97 54.25 2hiy s LYS 139 Cb -0.11 -2.41 0.09 0.00 -1.01 0.00 0.00 37.83 34.39 2hiy s LYS 139 CO 0.03 0.06 1.45 0.74 0.51 0.00 0.00 175.35 178.14 2hiy h PHE 140 N 7.10 0.45 -3.18 3.18 0.04 -1.71 -2.07 116.94 120.75 2hiy h PHE 140 Ca -0.28 -0.20 -0.16 0.00 2.80 0.00 0.00 57.97 60.13 2hiy h PHE 140 Cb 1.21 -0.07 -0.24 0.00 2.20 0.00 0.00 35.95 39.04 2hiy h PHE 140 CO 0.47 0.94 -0.42 0.45 -0.60 0.00 0.00 178.31 179.15 2hiy s SER 141 N -6.95 -0.22 0.41 2.17 0.15 -1.26 -2.23 113.70 105.77 2hiy s SER 141 Ca -0.05 0.37 0.08 0.00 0.70 0.00 0.00 55.95 57.05 2hiy s SER 141 Cb 0.11 0.45 0.85 0.00 -1.71 0.00 0.00 66.02 65.71 2hiy s SER 141 CO 0.83 -0.15 2.02 -0.33 1.20 0.00 0.00 173.24 176.80 2hiy h GLU 142 N 5.40 0.45 -0.43 5.44 4.39 -1.93 -1.52 114.58 126.38 2hiy h GLU 142 Ca -0.27 -0.05 0.08 0.00 0.34 0.00 0.00 59.36 59.46 2hiy h GLU 142 Cb 1.19 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.68 2hiy h GLU 142 CO 0.36 0.36 0.03 0.93 -1.16 0.00 0.00 179.01 179.53 2hiy h GLU 143 N 0.45 0.14 -0.03 2.33 4.39 -2.01 -3.02 114.58 116.83 2hiy h GLU 143 Ca 0.12 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2hiy h GLU 143 Cb 0.06 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2hiy h GLU 143 CO -0.02 0.09 -0.00 -1.13 -1.16 0.00 0.00 179.01 176.79 2hiy n SER 144 N -5.18 2.93 -0.32 1.42 3.41 -1.04 -4.54 113.62 110.30 2hiy n SER 144 Ca 0.04 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 2hiy n SER 144 Cb 0.22 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.31 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 4.60 1.05 0.00 7.33 3.20 -1.14 -1.67 116.97 130.33 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 0.98 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.91 2hiy h TYR 145 CO 0.00 0.56 0.00 -1.13 -1.64 0.00 0.00 178.16 175.95 2hiy n SER 146 N -4.57 0.20 -0.90 -2.11 3.41 -1.26 -1.48 113.62 106.90 2hiy n SER 146 Ca 0.12 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.41 2hiy n SER 146 Cb 0.14 -0.59 0.19 0.00 -0.26 0.00 0.00 64.21 63.69 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 -1.73 2.23 -2.19 4.33 5.02 -0.63 -4.63 118.16 120.57 2hiy n LYS 147 Ca 0.03 -1.80 -0.33 0.00 -2.02 0.00 0.00 58.31 54.19 2hiy n LYS 147 Cb 0.17 -1.47 -0.01 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 -1.93 4.06 0.30 -0.18 -4.23 -0.55 -4.69 115.64 108.41 2hiy s THR 148 Ca 0.31 1.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.82 2hiy s THR 148 Cb 0.20 -3.50 0.18 0.00 1.34 0.00 0.00 72.50 70.72 2hiy s THR 148 CO 0.31 -0.56 1.87 0.00 -0.54 0.00 0.00 174.62 175.69 2hiy h ALA 149 N 0.66 1.29 -0.28 3.99 0.00 -1.89 0.20 119.26 123.23 2hiy h ALA 149 Ca -0.47 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.33 2hiy h ALA 149 Cb 1.21 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 2hiy h ALA 149 CO 0.59 0.51 -0.14 -0.92 0.00 0.00 0.00 179.25 179.28 2hiy h TYR 150 N 0.77 -0.35 -0.05 0.00 3.20 -1.92 -0.26 116.97 118.36 2hiy h TYR 150 Ca 0.18 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 2hiy h TYR 150 Cb 0.23 0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 2hiy h TYR 150 CO 0.01 -0.22 -0.05 1.25 -1.64 0.00 0.00 178.16 177.51 2hiy h HIS 151 N -0.11 0.15 0.00 -3.82 2.76 -1.74 -3.15 115.15 109.25 2hiy h HIS 151 Ca 0.15 -0.05 -0.14 0.00 -2.20 0.00 0.00 60.37 58.13 2hiy h HIS 151 Cb 0.33 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.24 2hiy h HIS 151 CO -0.33 0.59 -0.68 0.87 -1.30 0.00 0.00 177.93 177.08 2hiy h LYS 152 N -0.33 0.00 0.00 5.26 1.57 -0.83 -3.39 116.57 118.84 2hiy h LYS 152 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2hiy h LYS 152 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2hiy h LYS 152 CO 0.01 0.68 -0.47 0.66 -0.57 0.00 0.00 179.45 179.76 2hiy n TYR 153 N -3.71 0.00 -0.29 -1.35 4.01 -0.12 -4.76 117.16 110.94 2hiy n TYR 153 Ca -0.01 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.71 2hiy n TYR 153 Cb 0.67 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.80 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 0.85 -1.00 7.72 5.85 -1.59 -0.49 115.31 126.64 2hiy h LEU 154 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2hiy h LEU 154 Cb 0.00 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.84 2hiy h LEU 154 CO 0.00 0.58 0.00 0.18 -0.34 0.00 0.00 178.44 178.86 2hiy n LEU 155 N -4.59 0.58 0.02 2.25 4.77 -1.26 -1.80 117.00 116.96 2hiy n LEU 155 Ca 0.09 0.70 0.13 0.00 -0.03 0.00 0.00 56.01 56.90 2hiy n LEU 155 Cb 0.09 -0.69 0.39 0.00 -2.33 0.00 0.00 43.42 40.87 2hiy n LEU 155 CO 0.34 -0.74 0.66 0.29 -1.33 0.00 0.00 177.39 176.61 2hiy n LYS 156 N -2.20 0.06 -3.39 3.23 5.02 -0.19 -4.94 118.16 115.74 2hiy n LYS 156 Ca 0.00 0.03 -0.36 0.00 -2.02 0.00 0.00 58.31 55.97 2hiy n LYS 156 Cb 0.13 -1.55 -0.06 0.00 -0.02 0.00 0.00 35.03 33.53 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 -3.03 4.89 0.50 -0.18 -7.23 -0.75 -4.97 120.40 109.63 2hiy s VAL 157 Ca 0.11 0.82 0.32 0.00 -1.81 0.00 0.00 61.98 61.43 2hiy s VAL 157 Cb 0.17 -3.74 0.35 0.00 0.56 0.00 0.00 36.38 33.72 2hiy s VAL 157 CO 0.63 0.32 2.19 -0.65 -0.31 0.00 0.00 175.10 177.28 2hiy h PRO 158 N 3.82 0.00 -0.00 4.82 0.11 -1.92 -2.91 132.00 135.92 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 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2hiy h PRO 158 CO 0.65 0.05 -0.09 1.97 -0.21 0.00 0.00 178.00 180.37 2hiy n PHE 159 N -3.54 0.00 -0.25 0.65 1.16 -1.26 -4.41 117.46 109.81 2hiy n PHE 159 Ca -0.02 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.59 2hiy n PHE 159 Cb 0.16 -0.13 0.16 0.00 -1.61 0.00 0.00 39.48 38.05 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 0.75 0.56 -0.00 2.97 3.20 -1.80 0.12 116.97 122.77 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 0.34 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.47 2hiy h TYR 160 CO 0.00 0.14 0.00 0.54 -1.64 0.00 0.00 178.16 177.20 2hiy n ARG 161 N -4.94 1.02 -0.13 1.82 1.74 -1.26 -3.20 116.66 111.72 2hiy n ARG 161 Ca 0.12 -0.03 0.10 0.00 -0.77 0.00 0.00 57.85 57.27 2hiy n ARG 161 Cb 0.34 -1.34 0.15 0.00 -1.02 0.00 0.00 32.46 30.59 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 -0.81 0.05 -4.30 -1.55 8.25 0.41 -4.64 115.22 112.63 2hiy n HIS 162 Ca 0.16 -1.03 -0.17 0.00 -0.26 0.00 0.00 57.72 56.42 2hiy n HIS 162 Cb 0.08 -0.17 -0.10 0.00 1.12 0.00 0.00 29.99 30.92 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 -2.90 1.51 -0.25 1.59 -4.36 -1.13 -3.66 121.20 111.99 2hiy s ILE 163 Ca 0.33 -2.05 0.02 0.00 -0.26 0.00 0.00 60.65 58.69 2hiy s ILE 163 Cb 0.29 -1.87 0.05 0.00 1.25 0.00 0.00 42.46 42.18 2hiy s ILE 163 CO 0.03 -0.58 -0.11 -0.89 0.24 0.00 0.00 174.94 173.62 2hiy s THR 164 N -2.83 2.25 -0.14 8.37 2.01 -0.16 -4.81 115.64 120.33 2hiy s THR 164 Ca 0.18 -1.46 -0.16 0.00 0.31 0.00 0.00 61.69 60.55 2hiy s THR 164 Cb -0.01 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 2hiy s THR 164 CO 0.04 0.08 0.39 -0.63 -0.69 0.00 0.00 174.62 173.81 2hiy s ILE 165 N 1.16 5.24 0.01 1.82 1.01 -1.26 -0.70 121.20 128.47 2hiy s ILE 165 Ca -0.06 0.76 0.03 0.00 0.00 0.00 0.00 60.65 61.38 2hiy s ILE 165 Cb -0.19 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 2hiy s ILE 165 CO -0.06 0.36 -0.09 -0.13 0.00 0.00 0.00 174.94 175.02 2hiy s ARG 166 N 0.52 0.70 0.94 2.79 1.81 -0.37 -4.99 118.95 120.34 2hiy s ARG 166 Ca 0.21 -0.45 -0.12 0.00 -1.72 0.00 0.00 55.73 53.66 2hiy s ARG 166 Cb -0.14 -0.65 0.15 0.00 -0.45 0.00 0.00 34.95 33.86 2hiy s ARG 166 CO 0.07 0.17 1.09 0.54 -0.68 0.00 0.00 175.30 176.50 2hiy s ASN 167 N -0.56 3.12 0.39 0.23 2.20 -1.26 -0.06 114.94 118.98 2hiy s ASN 167 Ca 0.01 1.34 0.05 0.00 -0.94 0.00 0.00 52.86 53.33 2hiy s ASN 167 Cb -0.05 -2.02 0.77 0.00 -2.00 0.00 0.00 41.25 37.95 2hiy s ASN 167 CO 0.00 -2.84 2.02 0.00 -2.94 0.00 0.00 177.10 173.34 2hiy h ALA 168 N -1.69 1.62 -0.65 3.54 0.00 -1.42 0.77 119.26 121.43 2hiy h ALA 168 Ca -0.52 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 2hiy h ALA 168 Cb 1.30 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 2hiy h ALA 168 CO 0.56 0.33 0.10 0.87 0.00 0.00 0.00 179.25 181.11 2hiy h LYS 169 N 0.62 1.08 -0.12 0.00 1.57 -1.92 -1.51 116.57 116.30 2hiy h LYS 169 Ca 0.16 -0.29 -0.17 0.00 -1.87 0.00 0.00 60.65 58.48 2hiy h LYS 169 Cb -0.02 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2hiy h LYS 169 CO -0.03 0.99 -0.65 1.15 -0.57 0.00 0.00 179.45 180.34 2hiy h THR 170 N 0.99 1.36 -0.44 -0.16 2.02 -1.74 -1.59 112.91 113.35 2hiy h THR 170 Ca 0.20 -1.99 0.08 0.00 0.77 0.00 0.00 66.41 65.46 2hiy h THR 170 Cb 0.44 1.97 -0.07 0.00 -1.74 0.00 0.00 68.15 68.76 2hiy h THR 170 CO 0.01 0.60 0.05 0.15 0.37 0.00 0.00 175.52 176.70 2hiy h PHE 171 N 0.32 0.06 -0.66 3.16 3.57 -0.71 0.14 116.94 122.83 2hiy h PHE 171 Ca -0.01 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 2hiy h PHE 171 Cb 1.20 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.95 2hiy h PHE 171 CO 0.04 -0.04 0.24 0.22 -2.23 0.00 0.00 178.31 176.54 2hiy h ASP 172 N 0.17 0.90 -0.52 0.41 1.82 -1.01 -2.46 116.42 115.73 2hiy h ASP 172 Ca 0.22 -0.13 -0.09 0.00 -0.39 0.00 0.00 57.03 56.63 2hiy h ASP 172 Cb 0.30 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.06 2hiy h ASP 172 CO -0.32 0.82 -0.04 0.50 -1.61 0.00 0.00 179.24 178.58 2hiy h LYS 173 N 0.95 0.95 -0.56 0.28 1.63 -0.60 -2.11 116.57 117.11 2hiy h LYS 173 Ca 0.22 -0.32 0.09 0.00 -0.85 0.00 0.00 60.65 59.78 2hiy h LYS 173 Cb 0.22 -0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 31.70 2hiy h LYS 173 CO -0.02 0.98 0.18 0.82 -3.45 0.00 0.00 179.45 177.97 2hiy h ILE 174 N 0.82 0.76 -0.68 2.00 2.04 -0.44 -1.99 117.51 120.02 2hiy h ILE 174 Ca 0.14 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 2hiy h ILE 174 Cb 0.58 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 2hiy h ILE 174 CO 0.03 0.06 0.22 1.23 0.00 0.00 0.00 178.15 179.69 2hiy h GLY 175 N 0.34 1.12 -1.71 5.37 0.00 -1.27 -1.47 103.07 105.45 2hiy h GLY 175 Ca 0.28 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2hiy h GLY 175 CO -0.31 0.60 0.00 -1.06 0.00 0.00 0.00 176.54 175.77 2hiy n GLN 176 N -4.27 0.35 0.00 4.80 6.02 -0.75 -2.01 117.38 121.53 2hiy n GLN 176 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2hiy n GLN 176 Cb 0.22 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.20 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 0.68 0.00 0.06 1.08 4.77 -0.55 -2.29 117.00 120.74 2hiy n LEU 178 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 2hiy n LEU 178 Cb 0.15 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.11 2hiy n LEU 178 CO 0.00 0.00 -0.00 0.11 -1.33 0.00 0.00 177.39 176.17 2hiy h LYS 179 N 0.00 0.05 0.00 3.23 1.57 -1.67 -3.46 116.57 116.29 2hiy h LYS 179 Ca 0.00 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2hiy h LYS 179 Cb 0.00 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2hiy h LYS 179 CO 0.00 0.97 0.00 0.36 -0.57 0.00 0.00 179.45 180.21