#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hmz s VAL 9 N 0.00 2.35 0.50 3.57 0.11 -1.26 -4.97 120.40 120.71 3hmz s VAL 9 Ca 0.00 0.12 -0.23 0.00 -2.93 0.00 0.00 61.98 58.94 3hmz s VAL 9 Cb 0.00 -2.27 -0.07 0.00 -1.53 0.00 0.00 36.38 32.51 3hmz s VAL 9 CO 0.00 -0.15 1.21 0.47 -3.33 0.00 0.00 175.10 173.30 3hmz n ASP 10 N -4.02 2.09 -4.77 3.54 8.00 -1.26 -4.93 116.55 115.21 3hmz n ASP 10 Ca 0.11 0.99 -0.41 0.00 0.71 0.00 0.00 54.79 56.20 3hmz n ASP 10 Cb 0.52 -1.49 -0.02 0.00 -0.02 0.00 0.00 41.12 40.12 3hmz n ASP 10 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3hmz s ASN 11 N -0.83 6.71 -0.34 -2.24 0.01 -1.26 -4.97 114.94 112.02 3hmz s ASN 11 Ca 0.68 2.74 -0.23 0.00 -0.71 0.00 0.00 52.86 55.33 3hmz s ASN 11 Cb -0.46 -2.65 0.01 0.00 0.41 0.00 0.00 41.25 38.55 3hmz s ASN 11 CO 0.53 -0.59 0.80 0.21 -1.51 0.00 0.00 177.10 176.53 3hmz s ASN 12 N -0.41 6.60 -0.16 -1.22 3.84 -1.26 -5.02 114.94 117.31 3hmz s ASN 12 Ca 0.50 0.48 -0.09 0.00 0.21 0.00 0.00 52.86 53.96 3hmz s ASN 12 Cb -0.41 -2.41 -0.05 0.00 -0.55 0.00 0.00 41.25 37.84 3hmz s ASN 12 CO 0.54 -0.70 0.14 -0.63 -2.79 0.00 0.00 177.10 173.66 3hmz s ILE 13 N 3.08 5.45 0.10 -5.21 -1.09 -1.26 -0.72 121.20 121.56 3hmz s ILE 13 Ca 0.32 0.21 0.06 0.00 -2.23 0.00 0.00 60.65 59.01 3hmz s ILE 13 Cb -0.13 -3.44 -0.03 0.00 -1.58 0.00 0.00 42.46 37.27 3hmz s ILE 13 CO 0.15 0.52 -0.15 0.00 -1.23 0.00 0.00 174.94 174.24 3hmz s ALA 14 N -0.30 1.42 0.55 9.38 0.00 -0.59 -4.95 121.76 127.27 3hmz s ALA 14 Ca 0.11 -1.20 -0.20 0.00 0.00 0.00 0.00 51.96 50.67 3hmz s ALA 14 Cb -0.12 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 3hmz s ALA 14 CO 0.01 0.15 1.25 0.00 0.00 0.00 0.00 175.76 177.16 3hmz s ALA 15 N -1.77 2.71 -0.22 0.00 0.00 -1.26 -1.06 121.76 120.15 3hmz s ALA 15 Ca 0.05 1.10 -0.05 0.00 0.00 0.00 0.00 51.96 53.06 3hmz s ALA 15 Cb -0.07 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 3hmz s ALA 15 CO 0.03 -1.14 0.01 0.08 0.00 0.00 0.00 175.76 174.74 3hmz s VAL 16 N -1.49 3.89 -0.07 0.00 1.01 -0.29 -4.81 120.40 118.65 3hmz s VAL 16 Ca 0.73 -0.32 -0.40 0.00 0.00 0.00 0.00 61.98 61.99 3hmz s VAL 16 Cb -0.33 -2.79 -0.19 0.00 0.00 0.00 0.00 36.38 33.07 3hmz s VAL 16 CO 0.38 0.40 1.26 1.21 0.00 0.00 0.00 175.10 178.34 3hmz n GLU 17 N 4.65 0.36 -0.23 2.72 2.13 -1.26 -4.45 120.64 124.56 3hmz n GLU 17 Ca -0.17 0.13 0.08 0.00 0.66 0.00 0.00 57.16 57.86 3hmz n GLU 17 Cb 0.51 -1.68 0.35 0.00 0.27 0.00 0.00 31.44 30.89 3hmz n GLU 17 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3hmz h LEU 18 N 3.94 0.69 -1.40 4.31 5.85 -1.97 0.75 115.31 127.48 3hmz h LEU 18 Ca -0.49 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3hmz h LEU 18 Cb 1.39 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3hmz h LEU 18 CO 0.75 0.41 0.00 0.00 -0.34 0.00 0.00 178.44 179.26 3hmz h ALA 19 N 1.59 1.00 -0.02 1.25 0.00 -1.87 -1.96 119.26 119.26 3hmz h ALA 19 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3hmz h ALA 19 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3hmz h ALA 19 CO -0.14 0.00 -0.14 1.63 0.00 0.00 0.00 179.25 180.60 3hmz n LYS 20 N -2.42 1.43 -0.21 0.00 5.02 0.23 -4.69 118.16 117.52 3hmz n LYS 20 Ca -0.00 -1.11 0.16 0.00 -2.02 0.00 0.00 58.31 55.34 3hmz n LYS 20 Cb 0.12 -1.26 0.48 0.00 -0.02 0.00 0.00 35.03 34.36 3hmz n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hmz h ALA 21 N 2.77 2.09 -0.23 7.82 0.00 -1.08 -0.89 119.26 129.75 3hmz h ALA 21 Ca 0.00 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.99 3hmz h ALA 21 Cb 0.57 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3hmz h ALA 21 CO 0.00 -0.33 0.19 0.10 0.00 0.00 0.00 179.25 179.21 3hmz h TYR 22 N 0.46 0.00 0.00 0.00 -0.00 -1.84 -1.40 116.97 114.20 3hmz h TYR 22 Ca 0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 59.14 3hmz h TYR 22 Cb 0.93 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.66 3hmz h TYR 22 CO -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 178.16 178.10 3hmz h ARG 23 N 0.00 0.00 0.00 0.10 3.08 -1.52 -1.79 114.38 114.25 3hmz h ARG 23 Ca 0.11 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3hmz h ARG 23 Cb 0.49 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 3hmz h ARG 23 CO -0.00 0.06 -0.10 -0.07 -1.07 0.00 0.00 179.97 178.78 3hmz h LEU 24 N 0.00 0.00 -1.15 3.04 3.38 -1.41 -3.02 115.31 116.15 3hmz h LEU 24 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hmz h LEU 24 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3hmz h LEU 24 CO 0.01 0.10 -0.01 0.18 0.09 0.00 0.00 178.44 178.81 3hmz n LEU 25 N -3.71 1.40 0.13 1.67 4.77 -0.71 -4.81 117.00 115.75 3hmz n LEU 25 Ca -0.02 -0.97 0.03 0.00 -0.03 0.00 0.00 56.01 55.02 3hmz n LEU 25 Cb 0.21 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 41.73 3hmz n LEU 25 CO 0.30 0.30 0.93 -1.13 -1.33 0.00 0.00 177.39 176.46 3hmz h ASN 26 N 1.05 0.20 -0.00 -1.43 -1.24 -1.33 -1.28 115.58 111.55 3hmz h ASN 26 Ca 0.00 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.98 3hmz h ASN 26 Cb 0.23 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.23 3hmz h ASN 26 CO 0.00 0.32 0.00 0.00 -1.29 0.00 0.00 177.43 176.46 3hmz n HIS 27 N -4.32 0.00 -3.02 0.67 1.44 -1.26 -4.93 115.22 103.80 3hmz n HIS 27 Ca -0.01 -0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.58 3hmz n HIS 27 Cb 0.23 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.38 3hmz n HIS 27 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3hmz n GLY 28 N 0.81 0.12 3.77 -1.39 0.00 -0.48 -5.02 105.19 103.00 3hmz n GLY 28 Ca 0.15 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3hmz n GLY 28 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hmz s PRO 29 N -5.49 2.70 0.26 1.61 0.04 -1.26 -4.89 135.00 127.97 3hmz s PRO 29 Ca 0.25 1.38 -0.29 0.00 0.04 0.00 0.00 61.00 62.37 3hmz s PRO 29 Cb -0.11 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 3hmz s PRO 29 CO 0.39 -1.33 1.15 0.99 0.04 0.00 0.00 177.00 178.24 3hmz s THR 30 N -2.39 3.42 0.40 1.26 2.01 0.14 -4.85 115.64 115.62 3hmz s THR 30 Ca 0.67 1.36 0.07 0.00 0.31 0.00 0.00 61.69 64.10 3hmz s THR 30 Cb -0.20 -3.86 -0.07 0.00 0.01 0.00 0.00 72.50 68.37 3hmz s THR 30 CO 0.43 0.29 0.03 0.68 -0.69 0.00 0.00 174.62 175.37 3hmz s VAL 31 N -0.85 2.12 -0.13 3.82 -7.23 0.02 -4.27 120.40 113.87 3hmz s VAL 31 Ca 0.47 -1.96 -0.04 0.00 -1.81 0.00 0.00 61.98 58.64 3hmz s VAL 31 Cb -0.33 -2.95 -0.03 0.00 0.56 0.00 0.00 36.38 33.62 3hmz s VAL 31 CO 0.41 -0.03 0.01 -0.76 -0.31 0.00 0.00 175.10 174.43 3hmz s LEU 32 N -3.74 3.59 -0.24 1.32 1.43 0.29 -0.94 118.68 120.40 3hmz s LEU 32 Ca 0.36 0.07 -0.08 0.00 -1.03 0.00 0.00 54.13 53.45 3hmz s LEU 32 Cb 0.08 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 3hmz s LEU 32 CO 0.19 0.26 0.08 -0.69 0.23 0.00 0.00 176.35 176.42 3hmz s VAL 33 N -0.19 4.53 0.16 -1.59 1.01 -1.26 -1.46 120.40 121.60 3hmz s VAL 33 Ca 0.06 -0.10 0.10 0.00 0.00 0.00 0.00 61.98 62.04 3hmz s VAL 33 Cb -0.12 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3hmz s VAL 33 CO 0.02 0.35 -0.24 -0.94 0.00 0.00 0.00 175.10 174.29 3hmz s SER 34 N 1.39 3.18 0.18 3.32 1.04 -0.02 -4.17 113.70 118.62 3hmz s SER 34 Ca 0.05 -0.82 -0.22 0.00 0.48 0.00 0.00 55.95 55.44 3hmz s SER 34 Cb -0.15 -0.22 0.06 0.00 0.10 0.00 0.00 66.02 65.82 3hmz s SER 34 CO 0.04 0.10 0.61 0.00 0.98 0.00 0.00 173.24 174.98 3hmz s ALA 35 N -1.52 -1.51 -0.02 5.32 0.00 -0.66 -0.60 121.76 122.77 3hmz s ALA 35 Ca 0.17 0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.51 3hmz s ALA 35 Cb -0.08 0.88 -0.01 0.00 0.00 0.00 0.00 23.12 23.91 3hmz s ALA 35 CO 0.08 -0.80 -0.13 0.50 0.00 0.00 0.00 175.76 175.40 3hmz s ARG 36 N -3.78 1.13 -0.11 0.00 3.52 -1.26 -0.94 118.95 117.50 3hmz s ARG 36 Ca 0.03 -0.46 -0.05 0.00 -0.13 0.00 0.00 55.73 55.11 3hmz s ARG 36 Cb -0.02 -1.07 0.05 0.00 -1.56 0.00 0.00 34.95 32.36 3hmz s ARG 36 CO -0.10 0.25 0.26 0.45 -0.81 0.00 0.00 175.30 175.35 3hmz s SER 37 N -0.19 -0.07 -1.50 -2.12 0.15 -0.14 -4.67 113.70 105.16 3hmz s SER 37 Ca 0.03 0.56 -0.12 0.00 0.70 0.00 0.00 55.95 57.12 3hmz s SER 37 Cb -0.06 0.51 0.07 0.00 -1.71 0.00 0.00 66.02 64.83 3hmz s SER 37 CO -0.00 -0.19 0.94 0.00 1.20 0.00 0.00 173.24 175.19 3hmz n GLN 38 N 4.60 -5.45 -0.92 5.44 6.02 -1.26 -1.37 117.38 124.45 3hmz n GLN 38 Ca -0.19 0.60 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 3hmz n GLN 38 Cb 0.52 -5.44 0.00 0.00 1.02 0.00 0.00 30.24 26.34 3hmz n GLN 38 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hmz n GLY 39 N -1.69 0.58 3.61 1.08 0.00 -1.26 -5.01 105.19 102.51 3hmz n GLY 39 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3hmz n GLY 39 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hmz s ILE 40 N -2.60 4.30 0.12 -0.61 -1.09 -0.47 -5.11 121.20 115.75 3hmz s ILE 40 Ca 0.00 -0.23 0.03 0.00 -2.23 0.00 0.00 60.65 58.22 3hmz s ILE 40 Cb 0.00 -2.86 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 3hmz s ILE 40 CO 0.00 0.54 0.17 -1.81 -1.23 0.00 0.00 174.94 172.61 3hmz s ASP 41 N -0.20 5.87 0.06 3.58 1.01 -1.26 -0.96 116.67 124.77 3hmz s ASP 41 Ca 0.05 0.04 -0.12 0.00 0.71 0.00 0.00 52.55 53.23 3hmz s ASP 41 Cb -0.12 -1.66 0.02 0.00 1.01 0.00 0.00 42.92 42.16 3hmz s ASP 41 CO 0.02 0.10 0.28 0.21 0.21 0.00 0.00 175.17 175.99 3hmz s ASN 42 N -2.88 -0.07 0.18 0.27 2.47 -0.12 -4.98 114.94 109.81 3hmz s ASN 42 Ca 0.32 -0.32 -0.01 0.00 0.42 0.00 0.00 52.86 53.27 3hmz s ASN 42 Cb -0.11 0.36 -0.04 0.00 -1.45 0.00 0.00 41.25 40.01 3hmz s ASN 42 CO 0.25 -0.66 0.11 -0.69 -3.72 0.00 0.00 177.10 172.39 3hmz s VAL 43 N -2.99 0.04 -0.02 -5.21 1.01 -1.26 -1.65 120.40 110.32 3hmz s VAL 43 Ca -0.02 -1.98 0.06 0.00 0.00 0.00 0.00 61.98 60.04 3hmz s VAL 43 Cb 0.01 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 3hmz s VAL 43 CO -0.06 -0.11 -0.19 0.00 0.00 0.00 0.00 175.10 174.74 3hmz s ALA 45 N -4.12 2.49 -0.12 5.51 0.00 -1.25 -4.86 121.76 119.42 3hmz s ALA 45 Ca 0.35 -1.07 -0.03 0.00 0.00 0.00 0.00 51.96 51.22 3hmz s ALA 45 Cb 0.07 -0.79 0.04 0.00 0.00 0.00 0.00 23.12 22.45 3hmz s ALA 45 CO 0.10 0.55 0.05 0.00 0.00 0.00 0.00 175.76 176.46 3hmz s ALA 46 N -0.74 0.55 0.08 0.00 0.00 -0.11 -4.86 121.76 116.69 3hmz s ALA 46 Ca 0.12 -0.20 0.11 0.00 0.00 0.00 0.00 51.96 51.99 3hmz s ALA 46 Cb -0.10 -0.88 0.10 0.00 0.00 0.00 0.00 23.12 22.23 3hmz s ALA 46 CO 0.01 -0.81 1.45 0.00 0.00 0.00 0.00 175.76 176.41 3hmz h ALA 47 N 8.37 0.64 -0.94 0.00 0.00 -1.91 0.09 119.26 125.51 3hmz h ALA 47 Ca -0.16 -0.65 -0.77 0.00 0.00 0.00 0.00 54.91 53.33 3hmz h ALA 47 Cb 1.13 -0.11 -0.19 0.00 0.00 0.00 0.00 17.79 18.61 3hmz h ALA 47 CO 0.25 0.89 1.78 0.91 0.00 0.00 0.00 179.25 183.08 3hmz n TRP 48 N -3.43 2.67 -4.81 0.00 8.01 -1.26 -4.74 117.44 113.88 3hmz n TRP 48 Ca 0.00 -2.70 -0.29 0.00 -1.31 0.00 0.00 57.50 53.20 3hmz n TRP 48 Cb 0.76 -1.55 -0.17 0.00 -2.01 0.00 0.00 31.31 28.35 3hmz n TRP 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3hmz n ALA 51 N 2.62 0.75 0.00 0.00 0.00 -1.26 -0.22 120.51 122.40 3hmz n ALA 51 Ca -0.15 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3hmz n ALA 51 Cb 0.58 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.82 3hmz n ALA 51 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3hmz n LEU 52 N -0.93 0.57 -3.66 0.00 7.94 0.55 -4.69 117.00 116.78 3hmz n LEU 52 Ca 0.13 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.93 3hmz n LEU 52 Cb 0.46 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.36 3hmz n LEU 52 CO 0.51 0.09 0.16 -0.62 -1.11 0.00 0.00 177.39 176.43 3hmz s ASP 53 N -2.77 -0.22 -0.20 1.96 -1.08 -1.00 -4.89 116.67 108.47 3hmz s ASP 53 Ca 0.00 -0.37 -0.22 0.00 -0.52 0.00 0.00 52.55 51.45 3hmz s ASP 53 Cb 0.00 0.48 -0.20 0.00 -1.46 0.00 0.00 42.92 41.75 3hmz s ASP 53 CO 0.00 -0.88 0.24 -0.26 0.52 0.00 0.00 175.17 174.79 3hmz h PHE 54 N 2.35 0.01 -1.73 -5.34 0.04 -1.93 -2.61 116.94 107.74 3hmz h PHE 54 Ca -0.33 -0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.28 3hmz h PHE 54 Cb 1.26 -0.00 -0.28 0.00 2.20 0.00 0.00 35.95 39.12 3hmz h PHE 54 CO 0.33 1.48 -0.49 0.00 -0.60 0.00 0.00 178.31 179.03 3hmz s ALA 55 N -2.36 -1.25 0.44 2.45 0.00 -1.26 -2.71 121.76 117.07 3hmz s ALA 55 Ca -0.28 0.66 -0.23 0.00 0.00 0.00 0.00 51.96 52.10 3hmz s ALA 55 Cb 0.06 -1.91 -0.08 0.00 0.00 0.00 0.00 23.12 21.18 3hmz s ALA 55 CO 0.60 -1.51 1.13 -1.25 0.00 0.00 0.00 175.76 174.73 3hmz s PRO 56 N 2.57 3.91 0.49 0.00 0.04 -1.26 -5.09 135.00 135.66 3hmz s PRO 56 Ca 0.12 1.70 -0.23 0.00 0.04 0.00 0.00 61.00 62.62 3hmz s PRO 56 Cb -0.14 -2.47 -0.07 0.00 0.04 0.00 0.00 34.50 31.87 3hmz s PRO 56 CO -0.23 -0.41 1.37 -1.25 0.04 0.00 0.00 177.00 176.52 3hmz s PRO 57 N -2.61 3.45 0.06 0.56 0.04 -1.10 -4.77 135.00 130.64 3hmz s PRO 57 Ca 0.61 2.27 -0.02 0.00 0.04 0.00 0.00 61.00 63.90 3hmz s PRO 57 Cb -0.27 -2.46 -0.03 0.00 0.04 0.00 0.00 34.50 31.78 3hmz s PRO 57 CO 0.33 -0.95 0.00 0.15 0.04 0.00 0.00 177.00 176.57 3hmz s LYS 58 N -2.67 0.65 0.11 4.56 1.02 -0.98 -0.93 119.74 121.50 3hmz s LYS 58 Ca 0.66 -1.19 -0.08 0.00 0.02 0.00 0.00 55.97 55.38 3hmz s LYS 58 Cb -0.41 0.23 -0.01 0.00 -0.52 0.00 0.00 37.83 37.13 3hmz s LYS 58 CO 0.50 -0.14 0.21 -0.48 -0.92 0.00 0.00 175.35 174.52 3hmz s LEU 59 N -2.92 1.31 0.14 3.17 0.05 -0.49 -0.33 118.68 119.61 3hmz s LEU 59 Ca 0.07 -0.74 0.07 0.00 0.05 0.00 0.00 54.13 53.59 3hmz s LEU 59 Cb 0.08 1.05 -0.04 0.00 -2.05 0.00 0.00 46.19 45.22 3hmz s LEU 59 CO -0.10 -0.78 -0.06 0.42 -0.55 0.00 0.00 176.35 175.28 3hmz s THR 60 N -3.90 3.48 -0.10 5.48 -4.23 0.69 -1.07 115.64 115.98 3hmz s THR 60 Ca 0.09 -1.37 -0.10 0.00 -1.18 0.00 0.00 61.69 59.13 3hmz s THR 60 Cb 0.05 -2.68 0.03 0.00 1.34 0.00 0.00 72.50 71.23 3hmz s THR 60 CO -0.07 0.00 0.28 0.54 -0.54 0.00 0.00 174.62 174.83 3hmz s VAL 61 N -1.47 0.00 -0.25 2.29 0.11 -0.15 -1.17 120.40 119.77 3hmz s VAL 61 Ca 0.24 -0.02 -0.13 0.00 -2.93 0.00 0.00 61.98 59.14 3hmz s VAL 61 Cb -0.10 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 3hmz s VAL 61 CO 0.16 -0.01 0.28 -0.69 -3.33 0.00 0.00 175.10 171.51 3hmz s VAL 62 N 0.11 5.26 -0.19 2.04 1.01 -0.70 -0.71 120.40 127.22 3hmz s VAL 62 Ca -0.00 0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.39 3hmz s VAL 62 Cb -0.02 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.78 3hmz s VAL 62 CO 0.00 0.24 -0.10 -0.76 0.00 0.00 0.00 175.10 174.48 3hmz s LEU 63 N 1.61 2.12 0.45 3.92 1.43 -0.23 -4.83 118.68 123.14 3hmz s LEU 63 Ca 0.12 -0.80 -0.25 0.00 -1.03 0.00 0.00 54.13 52.17 3hmz s LEU 63 Cb -0.15 -1.19 -0.08 0.00 0.03 0.00 0.00 46.19 44.80 3hmz s LEU 63 CO 0.08 -0.14 1.32 -0.62 0.23 0.00 0.00 176.35 177.23 3hmz s ASP 64 N 1.43 6.03 0.00 2.29 -1.08 -1.26 -4.77 116.67 119.31 3hmz s ASP 64 Ca -0.00 2.68 0.00 0.00 -0.52 0.00 0.00 52.55 54.71 3hmz s ASP 64 Cb -0.16 -2.64 0.00 0.00 -1.46 0.00 0.00 42.92 38.67 3hmz s ASP 64 CO -0.09 -1.05 0.14 0.29 0.52 0.00 0.00 175.17 174.98 3hmz n LYS 65 N -0.21 0.00 -1.09 4.34 5.02 -1.26 -4.76 118.16 120.20 3hmz n LYS 65 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 3hmz n LYS 65 Cb 0.44 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 3hmz n LYS 65 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3hmz n THR 67 N 2.12 0.00 -0.06 -0.18 -2.24 -1.26 -4.95 114.28 107.71 3hmz n THR 67 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 3hmz n THR 67 Cb 0.00 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.41 3hmz n THR 67 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3hmz h LYS 68 N 1.21 0.67 -0.97 -0.78 1.63 -1.99 -2.95 116.57 113.39 3hmz h LYS 68 Ca 0.00 -0.21 0.03 0.00 -0.85 0.00 0.00 60.65 59.62 3hmz h LYS 68 Cb 0.00 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.51 3hmz h LYS 68 CO 0.00 0.76 0.63 1.15 -3.45 0.00 0.00 179.45 178.54 3hmz h THR 69 N 0.61 1.18 -0.60 1.00 2.02 -1.95 -1.43 112.91 113.74 3hmz h THR 69 Ca 0.11 -0.42 0.04 0.00 0.77 0.00 0.00 66.41 66.91 3hmz h THR 69 Cb 0.54 -0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 66.74 3hmz h THR 69 CO 0.03 0.23 0.34 -0.09 0.37 0.00 0.00 175.52 176.40 3hmz h ARG 70 N 1.24 0.63 -0.53 6.66 2.43 -1.82 -0.67 114.38 122.32 3hmz h ARG 70 Ca 0.38 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.56 3hmz h ARG 70 Cb -0.03 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.33 3hmz h ARG 70 CO -0.11 0.42 0.26 1.49 -1.51 0.00 0.00 179.97 180.51 3hmz h GLU 71 N 0.65 0.49 -0.70 0.20 4.81 -1.23 0.26 114.58 119.06 3hmz h GLU 71 Ca 0.26 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 3hmz h GLU 71 Cb 0.11 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 3hmz h GLU 71 CO -0.14 0.32 0.37 0.74 -0.73 0.00 0.00 179.01 179.57 3hmz h PHE 72 N 0.50 0.97 -0.64 0.92 -1.00 -0.76 -0.89 116.94 116.05 3hmz h PHE 72 Ca 0.24 -0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.95 3hmz h PHE 72 Cb 0.16 -0.31 -0.03 0.00 3.61 0.00 0.00 35.95 39.39 3hmz h PHE 72 CO -0.11 0.70 0.25 0.82 -1.61 0.00 0.00 178.31 178.36 3hmz h ILE 73 N 0.96 1.24 -0.63 -0.55 2.04 -0.60 0.54 117.51 120.51 3hmz h ILE 73 Ca 0.24 -0.75 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 3hmz h ILE 73 Cb 0.06 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 3hmz h ILE 73 CO -0.04 0.30 0.20 -0.33 0.00 0.00 0.00 178.15 178.28 3hmz h GLU 74 N 0.90 0.95 -0.04 2.37 5.08 -0.62 0.25 114.58 123.48 3hmz h GLU 74 Ca 0.21 -0.18 -0.16 0.00 -1.00 0.00 0.00 59.36 58.23 3hmz h GLU 74 Cb 0.22 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.33 3hmz h GLU 74 CO -0.02 0.82 -0.58 0.37 -1.00 0.00 0.00 179.01 178.60 3hmz h GLN 75 N 0.92 0.46 0.00 2.33 -0.00 -0.98 -3.38 115.11 114.47 3hmz h GLN 75 Ca 0.21 -0.45 -0.15 0.00 -0.00 0.00 0.00 58.65 58.26 3hmz h GLN 75 Cb 0.26 0.11 -0.03 0.00 0.00 0.00 0.00 27.48 27.83 3hmz h GLN 75 CO -0.01 1.09 -1.81 -1.13 0.00 0.00 0.00 178.83 176.97 3hmz n SER 76 N -4.21 0.37 -2.00 -0.69 3.41 0.16 -5.10 113.62 105.57 3hmz n SER 76 Ca -0.10 0.16 -0.09 0.00 -0.26 0.00 0.00 58.87 58.58 3hmz n SER 76 Cb 0.65 0.97 0.04 0.00 -0.26 0.00 0.00 64.21 65.61 3hmz n SER 76 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hmz n GLY 77 N 1.43 0.18 0.00 5.00 0.00 0.86 -5.02 105.19 107.63 3hmz n GLY 77 Ca -0.13 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3hmz n GLY 77 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3hmz n PHE 79 N -3.04 0.00 -5.27 1.61 -1.74 -0.63 -0.59 117.46 107.80 3hmz n PHE 79 Ca -0.06 0.00 -0.31 0.00 -0.56 0.00 0.00 57.45 56.52 3hmz n PHE 79 Cb 0.55 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.39 3hmz n PHE 79 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 3hmz s VAL 80 N -2.00 2.03 -0.18 1.97 1.01 0.23 -0.30 120.40 123.16 3hmz s VAL 80 Ca 0.00 -1.07 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 3hmz s VAL 80 Cb 0.00 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3hmz s VAL 80 CO 0.00 0.57 -0.02 -0.63 0.00 0.00 0.00 175.10 175.02 3hmz s ILE 81 N -0.34 3.93 0.03 2.22 -1.09 -0.23 -0.84 121.20 124.87 3hmz s ILE 81 Ca 0.02 -0.33 0.01 0.00 -2.23 0.00 0.00 60.65 58.12 3hmz s ILE 81 Cb -0.12 -2.75 -0.02 0.00 -1.58 0.00 0.00 42.46 37.99 3hmz s ILE 81 CO 0.02 0.46 -0.05 0.00 -1.23 0.00 0.00 174.94 174.14 3hmz s GLN 82 N 0.65 0.43 -0.43 2.79 0.00 -0.54 0.09 119.66 122.65 3hmz s GLN 82 Ca -0.01 -0.72 -0.16 0.00 -0.00 0.00 0.00 55.36 54.47 3hmz s GLN 82 Cb -0.14 -0.07 0.04 0.00 0.00 0.00 0.00 33.01 32.84 3hmz s GLN 82 CO 0.02 -0.01 0.38 0.08 0.00 0.00 0.00 175.29 175.76 3hmz s VAL 83 N -1.59 5.19 0.82 3.63 1.01 -0.15 -0.55 120.40 128.77 3hmz s VAL 83 Ca -0.12 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 3hmz s VAL 83 Cb -0.09 -4.03 0.08 0.00 0.00 0.00 0.00 36.38 32.35 3hmz s VAL 83 CO -0.01 -0.43 1.11 -2.16 0.00 0.00 0.00 175.10 173.60 3hmz s PRO 84 N 1.83 1.88 0.36 2.72 0.04 -1.26 -0.93 135.00 139.64 3hmz s PRO 84 Ca 0.07 0.55 0.08 0.00 0.04 0.00 0.00 61.00 61.74 3hmz s PRO 84 Cb -0.20 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 3hmz s PRO 84 CO 0.10 -1.74 0.24 0.95 0.04 0.00 0.00 177.00 176.59 3hmz s THR 85 N -3.19 3.05 0.37 1.26 -4.23 -1.26 -3.98 115.64 107.66 3hmz s THR 85 Ca 0.61 -1.51 0.09 0.00 -1.18 0.00 0.00 61.69 59.70 3hmz s THR 85 Cb -0.14 -3.05 0.32 0.00 1.34 0.00 0.00 72.50 70.96 3hmz s THR 85 CO 0.54 -0.12 1.91 0.58 -0.54 0.00 0.00 174.62 176.98 3hmz h VAL 86 N 1.33 0.88 -0.16 2.29 2.07 -0.74 0.87 116.25 122.80 3hmz h VAL 86 Ca -0.43 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 66.91 3hmz h VAL 86 Cb 1.26 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3hmz h VAL 86 CO 0.61 0.12 0.13 0.00 0.02 0.00 0.00 177.57 178.45 3hmz h ALA 87 N 1.61 1.96 -0.62 1.67 0.00 -1.72 -1.37 119.26 120.79 3hmz h ALA 87 Ca 0.39 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.12 3hmz h ALA 87 Cb 0.61 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.31 3hmz h ALA 87 CO -0.16 -0.21 0.22 1.04 0.00 0.00 0.00 179.25 180.14 3hmz n GLN 88 N -4.17 3.34 -0.03 0.00 6.02 0.30 -4.62 117.38 118.21 3hmz n GLN 88 Ca 0.01 -2.56 -0.09 0.00 -0.01 0.00 0.00 57.00 54.35 3hmz n GLN 88 Cb 0.26 -2.07 -0.03 0.00 1.02 0.00 0.00 30.24 29.42 3hmz n GLN 88 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3hmz h LEU 89 N 2.37 -0.31 -0.30 1.08 5.85 -1.22 0.11 115.31 122.88 3hmz h LEU 89 Ca 0.22 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.95 3hmz h LEU 89 Cb 2.07 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 43.26 3hmz h LEU 89 CO 0.62 -0.12 -0.03 -0.61 -0.34 0.00 0.00 178.44 177.95 3hmz h GLN 90 N -0.08 0.55 -0.60 1.25 5.75 -1.85 -2.00 115.11 118.13 3hmz h GLN 90 Ca 0.10 -0.19 0.07 0.00 -0.15 0.00 0.00 58.65 58.48 3hmz h GLN 90 Cb 0.23 -0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.68 3hmz h GLN 90 CO -0.23 0.72 0.28 1.25 -2.65 0.00 0.00 178.83 178.20 3hmz h LEU 91 N 0.33 0.36 -0.28 -2.39 6.46 -1.73 0.60 115.31 118.67 3hmz h LEU 91 Ca 0.08 0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.86 3hmz h LEU 91 Cb 0.49 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 3hmz h LEU 91 CO 0.02 0.23 0.06 0.74 -0.62 0.00 0.00 178.44 178.87 3hmz h THR 92 N 0.51 1.22 -0.52 1.05 2.02 -0.54 -0.42 112.91 116.23 3hmz h THR 92 Ca 0.29 -0.74 -0.10 0.00 0.77 0.00 0.00 66.41 66.62 3hmz h THR 92 Cb 0.27 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 3hmz h THR 92 CO -0.23 0.24 -0.06 -0.74 0.37 0.00 0.00 175.52 175.10 3hmz h HIS 93 N 0.28 1.02 -0.20 3.16 -0.00 -1.11 -2.67 115.15 115.63 3hmz h HIS 93 Ca 0.09 -0.18 -0.03 0.00 -0.00 0.00 0.00 60.37 60.25 3hmz h HIS 93 Cb 0.31 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.45 3hmz h HIS 93 CO 0.02 0.94 0.02 0.00 -0.00 0.00 0.00 177.93 178.91 3hmz h ARG 94 N 0.84 0.34 0.00 5.26 3.08 -0.59 -1.99 114.38 121.32 3hmz h ARG 94 Ca 0.14 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3hmz h ARG 94 Cb 0.58 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3hmz h ARG 94 CO 0.04 0.52 0.00 -0.39 -1.07 0.00 0.00 179.97 179.06 3hmz h VAL 95 N 0.12 0.00 -0.24 2.04 -1.51 -1.05 -1.41 116.25 114.19 3hmz h VAL 95 Ca 0.06 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 3hmz h VAL 95 Cb 0.35 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 3hmz h VAL 95 CO 0.01 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.96 3hmz n GLY 96 N -0.26 0.89 0.00 5.19 0.00 -0.98 -3.88 105.19 106.15 3hmz n GLY 96 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3hmz n GLY 96 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hmz n SER 97 N 0.84 0.97 -3.86 1.61 3.41 -0.57 -4.91 113.62 111.12 3hmz n SER 97 Ca 0.17 -1.31 -0.11 0.00 -0.26 0.00 0.00 58.87 57.35 3hmz n SER 97 Cb 0.46 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.30 3hmz n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hmz s GLN 98 N -0.31 0.40 -0.07 4.33 -2.07 -1.00 -5.05 119.66 115.87 3hmz s GLN 98 Ca 0.00 -0.22 -0.01 0.00 -1.82 0.00 0.00 55.36 53.31 3hmz s GLN 98 Cb 0.00 0.17 -0.03 0.00 -1.09 0.00 0.00 33.01 32.06 3hmz s GLN 98 CO 0.00 -0.09 -0.01 0.45 -1.32 0.00 0.00 175.29 174.32 3hmz s SER 99 N -0.96 5.09 0.54 12.60 0.15 -1.26 -4.83 113.70 125.03 3hmz s SER 99 Ca -0.10 0.09 0.21 0.00 0.70 0.00 0.00 55.95 56.85 3hmz s SER 99 Cb -0.06 -1.39 1.41 0.00 -1.71 0.00 0.00 66.02 64.27 3hmz s SER 99 CO 0.01 0.37 2.13 0.25 1.20 0.00 0.00 173.24 177.20 3hmz h LEU 100 N 5.11 0.00 -2.08 3.45 5.85 -1.94 -1.54 115.31 124.16 3hmz h LEU 100 Ca -0.50 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.26 3hmz h LEU 100 Cb 1.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3hmz h LEU 100 CO 0.54 0.00 0.11 0.00 -0.34 0.00 0.00 178.44 178.75 3hmz h ALA 101 N 1.92 2.04 0.00 1.25 0.00 -1.98 -2.78 119.26 119.71 3hmz h ALA 101 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hmz h ALA 101 Cb 0.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3hmz h ALA 101 CO -0.00 -0.19 -1.01 -0.25 0.00 0.00 0.00 179.25 177.80 3hmz n ASP 102 N -4.34 0.62 -3.26 0.00 8.00 -0.59 -4.86 116.55 112.12 3hmz n ASP 102 Ca 0.00 -0.12 0.03 0.00 0.71 0.00 0.00 54.79 55.41 3hmz n ASP 102 Cb 0.24 0.73 -0.02 0.00 -0.02 0.00 0.00 41.12 42.05 3hmz n ASP 102 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hmz s ASP 103 N -4.08 -1.32 0.64 -2.24 -1.08 -1.05 -5.02 116.67 102.52 3hmz s ASP 103 Ca 0.03 1.02 0.38 0.00 -0.52 0.00 0.00 52.55 53.46 3hmz s ASP 103 Cb 0.14 2.19 2.10 0.00 -1.46 0.00 0.00 42.92 45.88 3hmz s ASP 103 CO 0.79 -0.25 2.25 0.00 0.52 0.00 0.00 175.17 178.48 3hmz h ALA 104 N 8.00 1.27 -0.38 3.66 0.00 -1.89 -1.38 119.26 128.53 3hmz h ALA 104 Ca -0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3hmz h ALA 104 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3hmz h ALA 104 CO 0.23 -0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.48 3hmz n ASN 105 N -3.31 3.71 -0.30 0.00 5.03 -1.26 -4.65 115.26 114.48 3hmz n ASN 105 Ca -0.02 -2.48 0.01 0.00 0.87 0.00 0.00 54.58 52.97 3hmz n ASN 105 Cb 0.15 -0.56 0.08 0.00 -1.02 0.00 0.00 39.78 38.43 3hmz n ASN 105 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 3hmz h LYS 106 N 2.55 -0.02 -0.50 3.52 3.64 -1.60 -1.05 116.57 123.11 3hmz h LYS 106 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3hmz h LYS 106 Cb 1.28 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.09 3hmz h LYS 106 CO 0.25 -0.02 0.24 -0.07 -2.27 0.00 0.00 179.45 177.59 3hmz h LEU 107 N -0.02 0.65 -0.42 5.20 3.38 -1.87 0.52 115.31 122.74 3hmz h LEU 107 Ca 0.37 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.27 3hmz h LEU 107 Cb 0.61 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 3hmz h LEU 107 CO -0.87 0.59 0.15 -0.07 0.09 0.00 0.00 178.44 178.34 3hmz h LEU 108 N 0.66 0.17 -1.25 1.67 3.38 -1.64 -1.05 115.31 117.24 3hmz h LEU 108 Ca 0.17 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3hmz h LEU 108 Cb 0.11 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3hmz h LEU 108 CO -0.02 0.13 0.15 0.78 0.09 0.00 0.00 178.44 179.57 3hmz h ASN 109 N 0.32 0.61 0.20 -0.43 2.35 -0.50 -2.93 115.58 115.21 3hmz h ASN 109 Ca 0.20 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3hmz h ASN 109 Cb 0.18 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.39 3hmz h ASN 109 CO -0.20 0.58 -0.25 0.00 -1.65 0.00 0.00 177.43 175.92 3hmz n GLY 111 N 1.33 0.28 3.63 0.00 0.00 -0.81 -4.52 105.19 105.11 3hmz n GLY 111 Ca 0.13 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 3hmz n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hmz s VAL 112 N -2.22 4.98 -0.23 1.61 1.01 -0.46 -5.04 120.40 120.05 3hmz s VAL 112 Ca 0.00 1.17 -0.08 0.00 0.00 0.00 0.00 61.98 63.07 3hmz s VAL 112 Cb 0.00 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3hmz s VAL 112 CO 0.00 0.04 0.10 -0.70 0.00 0.00 0.00 175.10 174.54 3hmz s GLU 113 N 2.41 3.85 0.16 2.72 2.12 -1.26 -4.62 118.70 124.08 3hmz s GLU 113 Ca 0.27 -0.39 0.05 0.00 0.36 0.00 0.00 54.97 55.26 3hmz s GLU 113 Cb -0.16 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 3hmz s GLU 113 CO 0.09 -0.01 0.14 -0.51 -0.54 0.00 0.00 175.26 174.43 3hmz s LEU 114 N 1.18 3.84 0.21 2.70 1.43 -1.26 -0.55 118.68 126.23 3hmz s LEU 114 Ca 0.05 -0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.01 3hmz s LEU 114 Cb -0.14 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 3hmz s LEU 114 CO 0.04 0.07 0.22 0.72 0.23 0.00 0.00 176.35 177.64 3hmz s PHE 115 N -1.73 0.90 0.50 0.29 -0.71 0.36 -4.86 117.98 112.74 3hmz s PHE 115 Ca 0.31 -1.17 0.03 0.00 -1.04 0.00 0.00 56.93 55.06 3hmz s PHE 115 Cb -0.10 -0.34 -0.01 0.00 -1.21 0.00 0.00 43.02 41.35 3hmz s PHE 115 CO 0.24 -0.73 0.09 -1.21 -1.34 0.00 0.00 175.22 172.27 3hmz s GLU 116 N -4.11 2.18 0.00 1.99 2.02 -1.26 -0.76 118.70 118.77 3hmz s GLU 116 Ca 0.33 -2.26 0.00 0.00 0.02 0.00 0.00 54.97 53.06 3hmz s GLU 116 Cb 0.05 -1.68 0.00 0.00 0.10 0.00 0.00 34.13 32.60 3hmz s GLU 116 CO 0.10 -0.36 0.00 0.00 0.02 0.00 0.00 175.26 175.02 3hmz n ALA 118 N -1.32 0.00 -0.94 5.21 0.00 -1.26 -5.02 120.51 117.17 3hmz n ALA 118 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3hmz n ALA 118 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 3hmz n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hmz n GLY 119 N -0.28 0.11 3.79 0.00 0.00 -1.26 -5.00 105.19 102.56 3hmz n GLY 119 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3hmz n GLY 119 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hmz s HIS 120 N -1.25 3.08 -1.18 1.61 3.76 -1.26 -4.94 115.29 115.10 3hmz s HIS 120 Ca 0.00 1.60 -0.03 0.00 -0.15 0.00 0.00 55.06 56.47 3hmz s HIS 120 Cb 0.00 -3.08 0.21 0.00 1.11 0.00 0.00 32.58 30.82 3hmz s HIS 120 CO 0.00 -0.76 2.12 -3.47 -0.85 0.00 0.00 174.74 171.78 3hmz n ASP 121 N -0.70 7.72 -4.02 1.40 2.03 -1.26 -4.92 116.55 116.81 3hmz n ASP 121 Ca 0.08 -3.40 -0.12 0.00 0.52 0.00 0.00 54.79 51.87 3hmz n ASP 121 Cb 0.52 -1.27 -0.12 0.00 -0.72 0.00 0.00 41.12 39.53 3hmz n ASP 121 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hmz s LEU 122 N -3.17 2.22 -0.11 -2.67 1.43 -1.26 -4.77 118.68 110.36 3hmz s LEU 122 Ca 0.47 -0.48 -0.19 0.00 -1.03 0.00 0.00 54.13 52.90 3hmz s LEU 122 Cb 0.19 -0.06 -0.04 0.00 0.03 0.00 0.00 46.19 46.30 3hmz s LEU 122 CO -0.11 -0.22 0.50 -2.16 0.23 0.00 0.00 176.35 174.59 3hmz s PRO 123 N -1.38 4.34 -0.02 1.29 0.04 -1.26 -4.57 135.00 133.44 3hmz s PRO 123 Ca -0.11 0.49 0.03 0.00 0.04 0.00 0.00 61.00 61.45 3hmz s PRO 123 Cb -0.09 -3.43 -0.03 0.00 0.04 0.00 0.00 34.50 30.99 3hmz s PRO 123 CO -0.00 0.16 -0.10 -0.06 0.04 0.00 0.00 177.00 177.05 3hmz s PHE 124 N 0.59 2.82 -0.26 0.56 0.40 0.06 -4.67 117.98 117.49 3hmz s PHE 124 Ca 0.27 -0.07 -0.21 0.00 -0.60 0.00 0.00 56.93 56.32 3hmz s PHE 124 Cb -0.15 -1.62 -0.02 0.00 0.51 0.00 0.00 43.02 41.74 3hmz s PHE 124 CO 0.11 0.31 0.65 0.08 0.70 0.00 0.00 175.22 177.08 3hmz s VAL 125 N -0.90 4.96 0.40 -0.44 1.01 -1.26 -0.49 120.40 123.68 3hmz s VAL 125 Ca 0.15 1.12 -0.27 0.00 0.00 0.00 0.00 61.98 62.98 3hmz s VAL 125 Cb -0.11 -3.97 -0.10 0.00 0.00 0.00 0.00 36.38 32.21 3hmz s VAL 125 CO 0.05 -0.02 1.41 0.00 0.00 0.00 0.00 175.10 176.53 3hmz s ALA 126 N 2.57 3.41 0.00 5.51 0.00 0.29 -3.44 121.76 130.10 3hmz s ALA 126 Ca 0.27 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.66 3hmz s ALA 126 Cb -0.15 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.41 3hmz s ALA 126 CO 0.09 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.27 3hmz n GLY 127 N 0.58 1.19 3.74 0.00 0.00 -1.26 -4.78 105.19 104.67 3hmz n GLY 127 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3hmz n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hmz h SER 129 N -1.54 0.00 -5.00 0.00 4.64 -1.33 -3.44 113.55 106.88 3hmz h SER 129 Ca -0.50 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.76 3hmz h SER 129 Cb 1.30 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.22 3hmz h SER 129 CO 0.58 0.54 0.13 0.00 -0.87 0.00 0.00 176.83 177.21 3hmz s ALA 130 N -2.95 -1.60 -0.00 5.18 0.00 -1.25 -0.66 121.76 120.49 3hmz s ALA 130 Ca -0.01 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.94 3hmz s ALA 130 Cb 0.08 0.21 -0.00 0.00 0.00 0.00 0.00 23.12 23.41 3hmz s ALA 130 CO 0.80 -0.45 -0.00 -1.58 0.00 0.00 0.00 175.76 174.53 3hmz s TRP 131 N -1.81 0.02 -0.15 0.00 0.51 -0.21 -0.98 118.94 116.33 3hmz s TRP 131 Ca -0.08 -0.00 -0.00 0.00 -2.12 0.00 0.00 56.10 53.89 3hmz s TRP 131 Cb -0.01 -0.01 0.03 0.00 -0.81 0.00 0.00 33.47 32.67 3hmz s TRP 131 CO 0.04 -0.00 -0.07 -0.51 -0.51 0.00 0.00 176.95 175.90 3hmz s LEU 132 N -0.01 1.51 -0.02 2.99 1.02 0.11 -1.15 118.68 123.14 3hmz s LEU 132 Ca 0.00 -0.54 -0.29 0.00 0.02 0.00 0.00 54.13 53.32 3hmz s LEU 132 Cb -0.00 -0.93 -0.03 0.00 0.02 0.00 0.00 46.19 45.25 3hmz s LEU 132 CO -0.00 -0.15 0.94 0.00 0.02 0.00 0.00 176.35 177.16 3hmz s ALA 133 N 1.63 3.22 -0.02 4.21 0.00 0.11 -1.07 121.76 129.84 3hmz s ALA 133 Ca 0.02 0.45 0.05 0.00 0.00 0.00 0.00 51.96 52.48 3hmz s ALA 133 Cb -0.14 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 3hmz s ALA 133 CO -0.08 -0.26 -0.17 0.00 0.00 0.00 0.00 175.76 175.25 3hmz s LYS 135 N -0.27 3.12 0.29 0.00 2.20 0.14 -1.61 119.74 123.62 3hmz s LYS 135 Ca 0.04 -0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 54.56 3hmz s LYS 135 Cb -0.08 -2.98 -0.12 0.00 -1.51 0.00 0.00 37.83 33.14 3hmz s LYS 135 CO 0.00 -0.29 1.52 -0.11 -0.36 0.00 0.00 175.35 176.12 3hmz n LEU 136 N 4.74 4.07 -4.27 5.43 7.94 0.24 -0.76 117.00 134.39 3hmz n LEU 136 Ca -0.18 1.16 -0.43 0.00 -1.11 0.00 0.00 56.01 55.45 3hmz n LEU 136 Cb 0.49 -1.55 -0.07 0.00 0.53 0.00 0.00 43.42 42.82 3hmz n LEU 136 CO 0.28 -0.03 0.03 -0.63 -1.11 0.00 0.00 177.39 175.93 3hmz s ILE 137 N -0.20 4.63 0.20 1.96 1.01 -0.00 -4.85 121.20 123.96 3hmz s ILE 137 Ca 0.63 -1.59 -0.32 0.00 0.00 0.00 0.00 60.65 59.38 3hmz s ILE 137 Cb -0.53 -3.97 -0.11 0.00 0.01 0.00 0.00 42.46 37.85 3hmz s ILE 137 CO 0.51 -0.76 1.66 -2.84 0.00 0.00 0.00 174.94 173.51 3hmz s PRO 138 N 1.47 4.15 -0.41 2.79 0.02 -1.26 -4.49 135.00 137.28 3hmz s PRO 138 Ca 0.04 2.53 0.02 0.00 0.02 0.00 0.00 61.00 63.61 3hmz s PRO 138 Cb -0.27 -3.10 0.15 0.00 0.02 0.00 0.00 34.50 31.31 3hmz s PRO 138 CO 0.01 -0.70 0.29 -1.21 -0.33 0.00 0.00 177.00 175.07 3hmz s GLU 139 N 1.07 0.91 0.24 5.54 0.41 -1.26 -5.04 118.70 120.56 3hmz s GLU 139 Ca 0.73 -1.87 -0.05 0.00 -0.41 0.00 0.00 54.97 53.36 3hmz s GLU 139 Cb -0.48 -1.60 0.44 0.00 -1.78 0.00 0.00 34.13 30.71 3hmz s GLU 139 CO 0.33 -1.29 1.71 -1.35 -0.49 0.00 0.00 175.26 174.17 3hmz h PRO 140 N 6.28 0.36 -0.30 0.39 0.11 -1.96 -1.51 132.00 135.37 3hmz h PRO 140 Ca 0.15 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.18 3hmz h PRO 140 Cb 0.93 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 3hmz h PRO 140 CO 0.36 0.24 -0.03 -0.97 -0.21 0.00 0.00 178.00 177.40 3hmz h ASN 141 N 0.37 0.54 -0.78 -2.05 -1.24 -1.97 -1.37 115.58 109.08 3hmz h ASN 141 Ca 0.40 -0.33 0.00 0.00 0.71 0.00 0.00 56.30 57.08 3hmz h ASN 141 Cb 0.63 -0.15 -0.04 0.00 0.73 0.00 0.00 38.32 39.49 3hmz h ASN 141 CO -0.43 0.74 0.49 0.78 -1.29 0.00 0.00 177.43 177.73 3hmz h ASN 142 N 0.33 0.92 -0.26 1.15 2.35 -1.76 0.82 115.58 119.13 3hmz h ASN 142 Ca 0.08 -0.05 -0.13 0.00 -0.55 0.00 0.00 56.30 55.66 3hmz h ASN 142 Cb 0.48 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3hmz h ASN 142 CO 0.02 0.69 -0.30 1.56 -1.65 0.00 0.00 177.43 177.75 3hmz h GLN 143 N 1.06 0.77 0.00 0.81 4.20 -1.09 -0.54 115.11 120.32 3hmz h GLN 143 Ca 0.28 -0.35 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 3hmz h GLN 143 Cb -0.08 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.69 3hmz h GLN 143 CO -0.06 0.97 -0.01 1.25 -0.67 0.00 0.00 178.83 180.31 3hmz h LEU 144 N 0.65 0.01 -0.18 1.46 5.85 -1.06 -2.50 115.31 119.55 3hmz h LEU 144 Ca 0.08 -0.93 -0.22 0.00 0.84 0.00 0.00 57.88 57.65 3hmz h LEU 144 Cb 0.83 -0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.86 3hmz h LEU 144 CO 0.07 0.93 -0.80 -0.61 -0.34 0.00 0.00 178.44 177.70 3hmz h GLN 145 N -0.91 0.74 0.00 1.25 4.15 -0.91 -3.38 115.11 116.05 3hmz h GLN 145 Ca -0.00 -0.62 0.00 0.00 0.77 0.00 0.00 58.65 58.79 3hmz h GLN 145 Cb 0.94 0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.76 3hmz h GLN 145 CO 0.00 1.23 0.00 0.66 -1.93 0.00 0.00 178.83 178.79 3hmz n TYR 146 N -3.92 0.00 -2.27 3.99 4.01 -0.28 -5.00 117.16 113.70 3hmz n TYR 146 Ca -0.07 -0.13 -0.18 0.00 -0.16 0.00 0.00 57.90 57.36 3hmz n TYR 146 Cb 0.76 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.75 3hmz n TYR 146 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3hmz n ASP 147 N -0.13 -5.05 -4.43 7.72 8.00 -0.80 -4.88 116.55 116.97 3hmz n ASP 147 Ca 0.00 0.12 -0.36 0.00 0.71 0.00 0.00 54.79 55.27 3hmz n ASP 147 Cb 0.10 -4.28 -0.13 0.00 -0.02 0.00 0.00 41.12 36.80 3hmz n ASP 147 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3hmz s LEU 148 N -5.63 3.32 -0.07 0.64 2.96 -0.93 -1.07 118.68 117.90 3hmz s LEU 148 Ca 0.00 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 3hmz s LEU 148 Cb 0.00 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 3hmz s LEU 148 CO 0.00 0.01 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.52 3hmz s PHE 149 N 1.35 2.68 -0.08 5.38 0.40 0.11 -3.27 117.98 124.56 3hmz s PHE 149 Ca 0.05 -0.39 0.02 0.00 -0.60 0.00 0.00 56.93 56.01 3hmz s PHE 149 Cb -0.15 -1.68 -0.02 0.00 0.51 0.00 0.00 43.02 41.68 3hmz s PHE 149 CO 0.02 0.00 -0.15 0.42 0.70 0.00 0.00 175.22 176.22 3hmz s ILE 150 N -0.33 2.99 0.03 0.64 1.01 -1.26 -0.98 121.20 123.30 3hmz s ILE 150 Ca 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.95 3hmz s ILE 150 Cb -0.13 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 3hmz s ILE 150 CO 0.02 0.56 -0.04 0.00 0.00 0.00 0.00 174.94 175.49 3hmz s ALA 151 N -0.28 0.26 0.06 9.38 0.00 -0.24 -0.82 121.76 130.12 3hmz s ALA 151 Ca 0.02 -0.72 -0.27 0.00 0.00 0.00 0.00 51.96 50.99 3hmz s ALA 151 Cb -0.13 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 3hmz s ALA 151 CO 0.03 -0.17 0.84 -1.21 0.00 0.00 0.00 175.76 175.25 3hmz s GLU 152 N -1.86 4.56 -0.28 0.00 2.02 0.06 -1.40 118.70 121.81 3hmz s GLU 152 Ca -0.11 1.20 -0.21 0.00 0.02 0.00 0.00 54.97 55.87 3hmz s GLU 152 Cb -0.07 -3.38 -0.01 0.00 0.10 0.00 0.00 34.13 30.77 3hmz s GLU 152 CO -0.02 0.24 0.65 0.08 0.02 0.00 0.00 175.26 176.23 3hmz s VAL 153 N 0.04 4.94 -1.17 2.63 1.01 -0.11 -0.68 120.40 127.06 3hmz s VAL 153 Ca 0.42 1.02 0.18 0.00 0.00 0.00 0.00 61.98 63.60 3hmz s VAL 153 Cb -0.21 -3.99 -0.11 0.00 0.00 0.00 0.00 36.38 32.06 3hmz s VAL 153 CO 0.25 -0.08 0.82 2.30 0.00 0.00 0.00 175.10 178.39 3hmz n ILE 154 N 5.32 0.00 -3.57 2.22 -5.35 0.24 -4.47 119.36 113.76 3hmz n ILE 154 Ca -0.00 -0.18 -0.13 0.00 -0.27 0.00 0.00 62.75 62.17 3hmz n ILE 154 Cb 0.49 1.09 -0.06 0.00 -1.74 0.00 0.00 39.64 39.42 3hmz n ILE 154 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3hmz s GLY 155 N -2.43 -0.36 -0.07 3.28 0.00 -1.21 -4.98 107.32 101.55 3hmz s GLY 155 Ca 0.10 1.88 -0.10 0.00 0.00 0.00 0.00 44.72 46.60 3hmz s GLY 155 CO 0.61 1.12 0.26 0.00 0.00 0.00 0.00 173.10 175.09 3hmz s ALA 156 N -0.93 -0.64 0.07 3.20 0.00 -1.26 -0.71 121.76 121.49 3hmz s ALA 156 Ca -0.04 0.57 -0.10 0.00 0.00 0.00 0.00 51.96 52.39 3hmz s ALA 156 Cb -0.01 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.83 3hmz s ALA 156 CO 0.03 -0.16 0.23 -1.58 0.00 0.00 0.00 175.76 174.28 3hmz s TRP 157 N -0.29 0.05 0.09 0.00 0.51 -0.30 -1.14 118.94 117.87 3hmz s TRP 157 Ca -0.04 -0.37 -0.19 0.00 -2.12 0.00 0.00 56.10 53.37 3hmz s TRP 157 Cb -0.03 0.00 0.05 0.00 -0.81 0.00 0.00 33.47 32.68 3hmz s TRP 157 CO 0.01 -0.52 0.47 0.00 -0.51 0.00 0.00 176.95 176.40 3hmz s ALA 158 N -3.30 -1.18 -0.16 0.98 0.00 -0.22 -1.04 121.76 116.84 3hmz s ALA 158 Ca 0.00 0.30 -0.29 0.00 0.00 0.00 0.00 51.96 51.97 3hmz s ALA 158 Cb 0.02 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 3hmz s ALA 158 CO -0.08 -0.59 1.57 0.34 0.00 0.00 0.00 175.76 177.00 3hmz s ASP 159 N -2.42 6.56 0.44 0.00 -1.08 0.17 -1.55 116.67 118.80 3hmz s ASP 159 Ca -0.01 1.84 0.31 0.00 -0.52 0.00 0.00 52.55 54.16 3hmz s ASP 159 Cb 0.00 -2.53 1.41 0.00 -1.46 0.00 0.00 42.92 40.34 3hmz s ASP 159 CO -0.08 -1.07 1.92 0.71 0.52 0.00 0.00 175.17 177.17 3hmz h THR 160 N 5.85 0.00 0.00 1.71 1.35 -1.01 -0.53 112.91 120.28 3hmz h THR 160 Ca -0.34 -0.25 -0.05 0.00 -0.55 0.00 0.00 66.41 65.22 3hmz h THR 160 Cb 1.15 1.08 -0.01 0.00 -1.73 0.00 0.00 68.15 68.65 3hmz h THR 160 CO 0.98 0.00 -0.24 -0.61 -0.25 0.00 0.00 175.52 175.40 3hmz h GLN 161 N 0.00 0.00 0.00 4.72 4.15 -1.91 -3.36 115.11 118.71 3hmz h GLN 161 Ca 0.00 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.14 3hmz h GLN 161 Cb 0.29 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.93 3hmz h GLN 161 CO 0.00 0.24 -2.06 0.28 -1.93 0.00 0.00 178.83 175.36 3hmz n VAL 162 N -3.58 1.07 -3.71 2.39 0.31 -0.39 -4.35 118.33 110.06 3hmz n VAL 162 Ca -0.01 -0.44 -0.17 0.00 -0.01 0.00 0.00 64.34 63.71 3hmz n VAL 162 Cb 0.38 -1.08 -0.17 0.00 -0.91 0.00 0.00 33.84 32.06 3hmz n VAL 162 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3hmz s PHE 163 N -2.37 -0.01 0.03 3.52 2.19 -0.35 -0.04 117.98 120.95 3hmz s PHE 163 Ca -0.23 0.29 -0.20 0.00 0.33 0.00 0.00 56.93 57.13 3hmz s PHE 163 Cb 0.06 -0.32 0.04 0.00 -1.31 0.00 0.00 43.02 41.49 3hmz s PHE 163 CO 0.46 -0.17 0.46 0.54 1.83 0.00 0.00 175.22 178.34 3hmz s ASN 164 N 1.71 -0.35 -1.66 6.13 2.20 -0.33 -3.74 114.94 118.89 3hmz s ASN 164 Ca -0.02 0.12 -0.15 0.00 -0.94 0.00 0.00 52.86 51.88 3hmz s ASN 164 Cb -0.12 0.44 0.13 0.00 -2.00 0.00 0.00 41.25 39.70 3hmz s ASN 164 CO -0.04 -0.66 0.64 1.41 -2.94 0.00 0.00 177.10 175.51 3hmz n HIS 165 N 0.58 -1.62 -0.99 1.54 8.25 -1.26 -1.55 115.22 120.17 3hmz n HIS 165 Ca -0.19 0.76 0.00 0.00 -0.26 0.00 0.00 57.72 58.03 3hmz n HIS 165 Cb 0.59 -2.94 0.00 0.00 1.12 0.00 0.00 29.99 28.76 3hmz n HIS 165 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hmz n GLY 166 N -1.56 0.52 3.01 -1.41 0.00 -1.26 -5.03 105.19 99.46 3hmz n GLY 166 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 3hmz n GLY 166 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hmz s HIS 167 N -2.19 0.47 0.52 1.61 3.76 -0.60 -4.98 115.29 113.87 3hmz s HIS 167 Ca 0.00 -0.40 -0.19 0.00 -0.15 0.00 0.00 55.06 54.32 3hmz s HIS 167 Cb 0.00 -0.29 -0.07 0.00 1.11 0.00 0.00 32.58 33.33 3hmz s HIS 167 CO 0.00 -0.09 1.05 -1.58 -0.85 0.00 0.00 174.74 173.26 3hmz s TRP 168 N -1.09 2.99 -0.33 1.40 0.52 -1.26 -1.19 118.94 119.99 3hmz s TRP 168 Ca -0.09 1.55 0.16 0.00 0.02 0.00 0.00 56.10 57.75 3hmz s TRP 168 Cb -0.08 -3.05 0.46 0.00 -1.15 0.00 0.00 33.47 29.65 3hmz s TRP 168 CO -0.00 -0.92 1.02 0.72 0.02 0.00 0.00 176.95 177.78 3hmz n HIS 169 N -1.28 1.62 0.05 -1.98 8.25 0.94 -4.92 115.22 117.90 3hmz n HIS 169 Ca 0.09 -2.70 0.08 0.00 -0.26 0.00 0.00 57.72 54.94 3hmz n HIS 169 Cb 0.53 -0.30 0.52 0.00 1.12 0.00 0.00 29.99 31.86 3hmz n HIS 169 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 3hmz h PHE 170 N 2.82 0.32 -0.70 4.41 0.04 -1.91 -1.44 116.94 120.48 3hmz h PHE 170 Ca -0.02 0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.85 3hmz h PHE 170 Cb 1.17 -0.11 -0.07 0.00 2.20 0.00 0.00 35.95 39.14 3hmz h PHE 170 CO 0.57 0.18 0.33 -0.44 -0.60 0.00 0.00 178.31 178.36 3hmz h ASP 171 N 0.33 0.42 0.05 2.17 5.19 -1.91 -3.14 116.42 119.53 3hmz h ASP 171 Ca 0.14 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 3hmz h ASP 171 Cb 0.17 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.68 3hmz h ASP 171 CO -0.03 0.23 -1.81 0.35 -3.12 0.00 0.00 179.24 174.86 3hmz n THR 172 N -4.89 0.03 -1.62 0.35 -2.24 -0.94 -4.98 114.28 99.98 3hmz n THR 172 Ca 0.11 -0.44 -0.30 0.00 -2.27 0.00 0.00 64.05 61.15 3hmz n THR 172 Cb 0.28 0.11 0.07 0.00 -2.10 0.00 0.00 70.33 68.69 3hmz n THR 172 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hmz s ALA 173 N -3.44 2.51 0.41 6.98 0.00 -0.58 -4.98 121.76 122.65 3hmz s ALA 173 Ca -0.06 -0.14 -0.25 0.00 0.00 0.00 0.00 51.96 51.51 3hmz s ALA 173 Cb 0.14 -3.11 -0.11 0.00 0.00 0.00 0.00 23.12 20.04 3hmz s ALA 173 CO 0.90 -1.44 1.12 -2.30 0.00 0.00 0.00 175.76 174.04 3hmz n PRO 174 N -3.25 1.60 -0.16 0.00 -0.02 -1.26 -4.87 135.00 127.04 3hmz n PRO 174 Ca 0.07 0.57 0.13 0.00 -2.02 0.00 0.00 63.50 62.26 3hmz n PRO 174 Cb 0.55 -2.17 0.47 0.00 -0.02 0.00 0.00 33.50 32.34 3hmz n PRO 174 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hmz h ALA 175 N 1.83 2.01 0.00 3.55 0.00 -1.94 -1.41 119.26 123.30 3hmz h ALA 175 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3hmz h ALA 175 Cb 1.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3hmz h ALA 175 CO 0.59 -0.20 0.00 -0.40 0.00 0.00 0.00 179.25 179.24 3hmz n ASP 176 N -4.49 0.00 -0.24 0.00 5.68 -1.26 -2.30 116.55 113.94 3hmz n ASP 176 Ca 0.13 -0.72 0.12 0.00 -0.50 0.00 0.00 54.79 53.82 3hmz n ASP 176 Cb 0.46 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.66 3hmz n ASP 176 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3hmz n LYS 177 N -0.98 0.71 -1.64 0.11 4.76 -0.53 -2.06 118.16 118.52 3hmz n LYS 177 Ca 0.16 -0.48 -0.39 0.00 -2.87 0.00 0.00 58.31 54.72 3hmz n LYS 177 Cb 0.07 -1.49 0.03 0.00 -1.84 0.00 0.00 35.03 31.81 3hmz n LYS 177 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3hmz n ARG 178 N -0.72 1.31 -1.72 1.97 1.74 -0.98 -4.63 116.66 113.64 3hmz n ARG 178 Ca 0.10 0.48 -0.31 0.00 -0.77 0.00 0.00 57.85 57.35 3hmz n ARG 178 Cb 0.37 -2.21 0.03 0.00 -1.02 0.00 0.00 32.46 29.64 3hmz n ARG 178 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3hmz s SER 179 N -0.92 5.62 -0.06 0.55 1.04 -1.26 -0.63 113.70 118.03 3hmz s SER 179 Ca 0.69 1.61 -0.01 0.00 0.48 0.00 0.00 55.95 58.73 3hmz s SER 179 Cb -0.48 -2.50 -0.03 0.00 0.10 0.00 0.00 66.02 63.11 3hmz s SER 179 CO 0.52 -1.28 -0.01 -0.76 0.98 0.00 0.00 173.24 172.69 3hmz s LEU 180 N -5.28 3.48 -0.31 2.42 1.43 -1.26 -1.62 118.68 117.55 3hmz s LEU 180 Ca 0.58 0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.75 3hmz s LEU 180 Cb -0.14 -1.84 0.10 0.00 0.03 0.00 0.00 46.19 44.34 3hmz s LEU 180 CO 0.51 0.35 0.10 -1.00 0.23 0.00 0.00 176.35 176.55 3hmz s HIS 181 N -0.92 1.54 0.39 0.29 3.76 0.67 -0.69 115.29 120.33 3hmz s HIS 181 Ca 0.15 -1.63 -0.25 0.00 -0.15 0.00 0.00 55.06 53.17 3hmz s HIS 181 Cb -0.11 -1.62 -0.09 0.00 1.11 0.00 0.00 32.58 31.87 3hmz s HIS 181 CO 0.04 -0.87 1.13 -0.47 -0.85 0.00 0.00 174.74 173.72 3hmz s TYR 182 N 1.68 3.15 -0.00 1.40 5.04 -1.26 -0.83 117.35 126.51 3hmz s TYR 182 Ca 0.10 1.59 -0.01 0.00 -2.44 0.00 0.00 57.07 56.30 3hmz s TYR 182 Cb -0.17 -3.32 -0.00 0.00 0.35 0.00 0.00 41.96 38.82 3hmz s TYR 182 CO -0.27 -1.10 -0.02 -0.89 -1.34 0.00 0.00 175.55 171.93 3hmz n ILE 183 N 0.10 0.20 -3.52 3.14 2.08 -0.49 -4.91 119.36 115.96 3hmz n ILE 183 Ca 0.04 0.22 -0.08 0.00 0.56 0.00 0.00 62.75 63.49 3hmz n ILE 183 Cb 0.47 -1.31 -0.02 0.00 -0.75 0.00 0.00 39.64 38.03 3hmz n ILE 183 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3hmz s ALA 184 N -2.41 -1.83 0.00 -1.39 0.00 -1.15 -5.04 121.76 109.93 3hmz s ALA 184 Ca -0.02 1.02 0.00 0.00 0.00 0.00 0.00 51.96 52.96 3hmz s ALA 184 Cb 0.00 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.51 3hmz s ALA 184 CO 0.03 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.50 3hmz n GLY 185 N -0.24 3.85 1.31 0.00 0.00 -1.26 -0.83 105.19 108.01 3hmz n GLY 185 Ca -0.08 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.01 3hmz n GLY 185 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hmz n GLY 186 N 0.00 2.83 3.70 -0.02 0.00 -1.26 -4.99 105.19 105.45 3hmz n GLY 186 Ca 0.00 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 3hmz n GLY 186 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hmz s GLN 187 N -1.61 4.15 0.13 1.61 -0.44 -0.01 -5.06 119.66 118.43 3hmz s GLN 187 Ca 0.45 -0.22 0.04 0.00 -2.50 0.00 0.00 55.36 53.13 3hmz s GLN 187 Cb 0.28 -3.47 -0.04 0.00 -1.64 0.00 0.00 33.01 28.14 3hmz s GLN 187 CO 0.24 0.20 -0.11 -0.06 0.50 0.00 0.00 175.29 176.06 3hmz s PHE 188 N 0.65 1.24 -0.08 1.67 0.40 -1.26 -1.40 117.98 119.20 3hmz s PHE 188 Ca 0.08 -0.71 0.01 0.00 -0.60 0.00 0.00 56.93 55.71 3hmz s PHE 188 Cb -0.12 -0.64 -0.03 0.00 0.51 0.00 0.00 43.02 42.74 3hmz s PHE 188 CO 0.01 0.07 -0.09 0.71 0.70 0.00 0.00 175.22 176.62 3hmz s TYR 189 N -2.99 2.88 0.50 0.36 2.02 -0.01 -4.93 117.35 115.18 3hmz s TYR 189 Ca 0.13 -0.09 -0.18 0.00 -0.37 0.00 0.00 57.07 56.56 3hmz s TYR 189 Cb 0.00 -1.72 -0.08 0.00 -0.40 0.00 0.00 41.96 39.76 3hmz s TYR 189 CO 0.01 0.23 0.99 0.00 -1.57 0.00 0.00 175.55 175.21 3hmz s ALA 190 N -0.61 3.00 0.62 3.71 0.00 -1.26 -0.24 121.76 126.98 3hmz s ALA 190 Ca 0.09 0.29 -0.18 0.00 0.00 0.00 0.00 51.96 52.16 3hmz s ALA 190 Cb -0.11 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 3hmz s ALA 190 CO 0.02 -0.24 1.21 -1.50 0.00 0.00 0.00 175.76 175.25 3hmz s ILE 191 N -2.46 2.54 0.00 0.00 1.10 -0.64 -4.92 121.20 116.82 3hmz s ILE 191 Ca 0.61 0.32 0.00 0.00 -0.51 0.00 0.00 60.65 61.07 3hmz s ILE 191 Cb -0.11 -3.07 0.00 0.00 0.15 0.00 0.00 42.46 39.43 3hmz s ILE 191 CO 0.27 -0.09 0.00 0.61 -2.11 0.00 0.00 174.94 173.62 3hmz n GLY 192 N 0.48 4.76 3.77 1.50 0.00 -1.26 -4.85 105.19 109.59 3hmz n GLY 192 Ca 0.14 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 3hmz n GLY 192 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hmz s GLU 193 N 4.61 4.15 0.19 1.61 2.12 -1.26 -4.87 118.70 125.26 3hmz s GLU 193 Ca 0.00 2.08 -0.30 0.00 0.36 0.00 0.00 54.97 57.12 3hmz s GLU 193 Cb 0.00 -2.87 -0.08 0.00 0.26 0.00 0.00 34.13 31.44 3hmz s GLU 193 CO 0.00 -0.31 0.93 0.45 -0.54 0.00 0.00 175.26 175.79 3hmz s SER 194 N -0.75 7.58 0.02 -1.70 0.15 -1.26 -5.07 113.70 112.67 3hmz s SER 194 Ca 0.54 1.88 0.04 0.00 0.70 0.00 0.00 55.95 59.11 3hmz s SER 194 Cb -0.37 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.33 3hmz s SER 194 CO 0.47 0.10 -0.13 -0.36 1.20 0.00 0.00 173.24 174.52 3hmz s PHE 195 N -0.82 1.12 -0.08 3.44 0.40 -1.26 -5.15 117.98 115.63 3hmz s PHE 195 Ca 0.42 -0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.46 3hmz s PHE 195 Cb -0.25 -0.68 0.02 0.00 0.51 0.00 0.00 43.02 42.61 3hmz s PHE 195 CO 0.31 0.01 -0.12 1.21 0.70 0.00 0.00 175.22 177.33 3hmz s ASN 196 N -0.87 1.94 0.61 1.36 2.47 -1.26 -5.13 114.94 114.06 3hmz s ASN 196 Ca 0.02 -0.32 -0.17 0.00 0.42 0.00 0.00 52.86 52.81 3hmz s ASN 196 Cb -0.07 -0.86 -0.03 0.00 -1.45 0.00 0.00 41.25 38.84 3hmz s ASN 196 CO 0.01 0.00 1.12 0.00 -3.72 0.00 0.00 177.10 174.51 3hmz s ALA 197 N 0.91 2.56 -2.00 1.71 0.00 -1.26 -5.37 121.76 118.31 3hmz s ALA 197 Ca -0.10 0.69 0.12 0.00 0.00 0.00 0.00 51.96 52.67 3hmz s ALA 197 Cb -0.15 -3.34 0.71 0.00 0.00 0.00 0.00 23.12 20.33 3hmz s ALA 197 CO 0.01 -1.07 1.14 -0.25 0.00 0.00 0.00 175.76 175.59