#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hlp n THR 4 N 0.00 0.85 0.20 6.66 -2.24 -1.26 -1.71 114.28 116.78 3hlp n THR 4 Ca 0.00 0.27 0.06 0.00 -2.27 0.00 0.00 64.05 62.11 3hlp n THR 4 Cb 0.00 -1.20 0.38 0.00 -2.10 0.00 0.00 70.33 67.40 3hlp n THR 4 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3hlp h ASN 5 N 0.00 0.00 -0.00 3.42 2.35 -2.03 -3.26 115.58 116.06 3hlp h ASN 5 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3hlp h ASN 5 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 3hlp h ASN 5 CO 0.00 0.34 -0.69 0.35 -1.65 0.00 0.00 177.43 175.78 3hlp n THR 6 N -3.56 0.00 -1.66 2.81 -2.24 -0.69 -4.96 114.28 103.98 3hlp n THR 6 Ca -0.00 -0.15 -0.44 0.00 -2.27 0.00 0.00 64.05 61.18 3hlp n THR 6 Cb 0.48 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 69.73 3hlp n THR 6 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3hlp n PHE 7 N -1.11 1.97 -2.91 4.78 -0.00 -0.84 -4.91 117.46 114.43 3hlp n PHE 7 Ca 0.04 0.54 -0.43 0.00 -0.00 0.00 0.00 57.45 57.60 3hlp n PHE 7 Cb 0.28 -2.39 -0.04 0.00 -0.00 0.00 0.00 39.48 37.33 3hlp n PHE 7 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 3hlp s ASN 8 N -0.07 6.20 0.06 -2.13 3.84 -1.26 -4.88 114.94 116.70 3hlp s ASN 8 Ca 0.63 -0.98 0.25 0.00 0.21 0.00 0.00 52.86 52.97 3hlp s ASN 8 Cb -0.65 -2.39 1.00 0.00 -0.55 0.00 0.00 41.25 38.65 3hlp s ASN 8 CO 0.55 -1.33 1.77 -1.22 -2.79 0.00 0.00 177.10 174.09 3hlp n TYR 9 N 7.36 0.23 -0.68 0.43 4.01 -1.26 -3.46 117.16 123.80 3hlp n TYR 9 Ca -0.04 0.07 0.08 0.00 -0.16 0.00 0.00 57.90 57.85 3hlp n TYR 9 Cb 0.45 -0.62 0.37 0.00 -0.31 0.00 0.00 39.34 39.23 3hlp n TYR 9 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hlp n ALA 10 N -1.57 3.53 -2.15 -0.72 0.00 -1.26 -4.52 120.51 113.82 3hlp n ALA 10 Ca 0.06 -1.69 -0.09 0.00 0.00 0.00 0.00 53.44 51.72 3hlp n ALA 10 Cb 0.31 -1.09 -0.10 0.00 0.00 0.00 0.00 19.45 18.57 3hlp n ALA 10 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3hlp s THR 11 N -2.34 0.46 0.25 0.00 -1.32 -1.22 -4.50 115.64 106.95 3hlp s THR 11 Ca 0.51 -1.86 -0.22 0.00 -1.21 0.00 0.00 61.69 58.91 3hlp s THR 11 Cb 0.36 -1.58 -0.09 0.00 -1.51 0.00 0.00 72.50 69.69 3hlp s THR 11 CO 0.18 -0.93 0.79 -0.31 -2.21 0.00 0.00 174.62 172.15 3hlp s TYR 12 N -3.72 3.69 0.29 9.09 2.02 -1.26 -5.01 117.35 122.45 3hlp s TYR 12 Ca 0.09 1.53 0.10 0.00 -0.37 0.00 0.00 57.07 58.42 3hlp s TYR 12 Cb 0.06 -2.72 -0.06 0.00 -0.40 0.00 0.00 41.96 38.84 3hlp s TYR 12 CO -0.07 0.32 -0.13 -1.01 -1.57 0.00 0.00 175.55 173.08 3hlp s HIS 13 N -1.51 2.18 0.72 2.71 3.76 -1.26 -5.15 115.29 116.74 3hlp s HIS 13 Ca 0.44 -0.49 -0.07 0.00 -0.15 0.00 0.00 55.06 54.80 3hlp s HIS 13 Cb -0.18 -1.11 0.06 0.00 1.11 0.00 0.00 32.58 32.47 3hlp s HIS 13 CO 0.22 0.55 1.03 0.95 -0.85 0.00 0.00 174.74 176.64 3hlp s THR 14 N -2.70 2.24 0.13 1.30 -4.23 -1.26 -4.91 115.64 106.22 3hlp s THR 14 Ca 0.30 -0.24 -0.19 0.00 -1.18 0.00 0.00 61.69 60.37 3hlp s THR 14 Cb -0.00 -3.00 -0.01 0.00 1.34 0.00 0.00 72.50 70.83 3hlp s THR 14 CO 0.14 0.00 1.70 0.25 -0.54 0.00 0.00 174.62 176.17 3hlp h LEU 15 N -0.65 -0.21 -0.92 4.79 5.85 -1.96 -1.51 115.31 120.70 3hlp h LEU 15 Ca -0.45 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.29 3hlp h LEU 15 Cb 1.32 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.46 3hlp h LEU 15 CO 0.61 -0.07 0.21 0.44 -0.34 0.00 0.00 178.44 179.29 3hlp h ASP 16 N 0.00 0.94 -0.72 1.25 3.32 -1.99 0.08 116.42 119.31 3hlp h ASP 16 Ca 0.11 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 3hlp h ASP 16 Cb 0.17 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 3hlp h ASP 16 CO -0.24 0.87 0.31 -0.33 -1.72 0.00 0.00 179.24 178.13 3hlp h GLU 17 N 0.98 1.05 -0.32 3.56 5.08 -1.87 0.30 114.58 123.37 3hlp h GLU 17 Ca 0.22 -0.18 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 3hlp h GLU 17 Cb 0.27 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3hlp h GLU 17 CO -0.01 0.85 -0.32 0.82 -1.00 0.00 0.00 179.01 179.35 3hlp h ILE 18 N 1.01 1.29 -0.72 3.13 2.04 -0.59 -0.06 117.51 123.62 3hlp h ILE 18 Ca 0.24 -1.49 -0.04 0.00 1.00 0.00 0.00 64.86 64.57 3hlp h ILE 18 Cb 0.17 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 3hlp h ILE 18 CO -0.02 0.49 0.30 1.88 0.00 0.00 0.00 178.15 180.79 3hlp h TYR 19 N 0.55 1.06 -0.18 1.37 -1.99 -0.80 -1.38 116.97 115.60 3hlp h TYR 19 Ca 0.05 -0.07 -0.16 0.00 2.00 0.00 0.00 58.73 60.56 3hlp h TYR 19 Cb 0.90 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 39.30 3hlp h TYR 19 CO 0.07 0.80 -0.54 -0.44 -0.00 0.00 0.00 178.16 178.05 3hlp h ASP 20 N 1.03 0.59 -0.72 3.88 3.32 -0.77 -2.80 116.42 120.96 3hlp h ASP 20 Ca 0.24 -0.31 0.06 0.00 0.02 0.00 0.00 57.03 57.05 3hlp h ASP 20 Cb 0.18 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.50 3hlp h ASP 20 CO -0.02 1.01 0.41 0.15 -1.72 0.00 0.00 179.24 179.07 3hlp h PHE 21 N 0.41 0.75 -0.52 4.55 3.04 -0.61 -0.92 116.94 123.63 3hlp h PHE 21 Ca 0.01 0.03 0.06 0.00 3.98 0.00 0.00 57.97 62.04 3hlp h PHE 21 Cb 1.08 -0.23 -0.05 0.00 2.56 0.00 0.00 35.95 39.30 3hlp h PHE 21 CO 0.04 0.36 0.24 0.52 -2.02 0.00 0.00 178.31 177.45 3hlp h MET 22 N 0.75 0.45 -0.55 1.11 2.86 -1.00 -0.55 114.93 118.00 3hlp h MET 22 Ca 0.32 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.84 3hlp h MET 22 Cb 0.20 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 3hlp h MET 22 CO -0.19 0.30 -0.02 -0.44 1.06 0.00 0.00 176.91 177.62 3hlp h ASP 23 N 0.46 0.97 -0.52 1.22 3.32 -1.25 -1.56 116.42 119.05 3hlp h ASP 23 Ca 0.24 -0.32 0.02 0.00 0.02 0.00 0.00 57.03 56.99 3hlp h ASP 23 Cb 0.19 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3hlp h ASP 23 CO -0.19 1.05 0.33 -0.07 -1.72 0.00 0.00 179.24 178.64 3hlp h LEU 24 N 0.86 0.55 -0.52 1.55 3.38 -0.73 -1.10 115.31 119.30 3hlp h LEU 24 Ca 0.15 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 3hlp h LEU 24 Cb 0.57 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3hlp h LEU 24 CO 0.03 0.39 0.07 0.25 0.09 0.00 0.00 178.44 179.28 3hlp h LEU 25 N 0.66 0.83 -0.51 1.67 5.85 -0.83 -1.16 115.31 121.82 3hlp h LEU 25 Ca 0.20 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 3hlp h LEU 25 Cb -0.02 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 3hlp h LEU 25 CO -0.07 0.89 0.26 0.58 -0.34 0.00 0.00 178.44 179.76 3hlp h VAL 26 N 0.74 1.19 -0.32 1.05 2.07 -1.14 -0.60 116.25 119.24 3hlp h VAL 26 Ca 0.16 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 3hlp h VAL 26 Cb 0.42 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3hlp h VAL 26 CO 0.01 0.20 -0.05 0.00 0.02 0.00 0.00 177.57 177.76 3hlp h ALA 27 N 1.10 1.33 0.00 1.67 0.00 -0.89 -1.74 119.26 120.73 3hlp h ALA 27 Ca 0.18 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 3hlp h ALA 27 Cb 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3hlp h ALA 27 CO -0.03 0.45 -0.78 0.93 0.00 0.00 0.00 179.25 179.82 3hlp h GLU 28 N 0.48 0.00 -1.91 0.00 5.08 -0.93 -3.37 114.58 113.93 3hlp h GLU 28 Ca 0.10 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.95 3hlp h GLU 28 Cb 0.39 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.23 3hlp h GLU 28 CO 0.02 0.78 -0.99 0.72 -1.00 0.00 0.00 179.01 178.54 3hlp n HIS 29 N -3.48 1.77 0.31 4.33 8.25 -0.26 -4.95 115.22 121.20 3hlp n HIS 29 Ca -0.00 -3.67 0.16 0.00 -0.26 0.00 0.00 57.72 53.95 3hlp n HIS 29 Cb 0.79 -0.41 0.73 0.00 1.12 0.00 0.00 29.99 32.23 3hlp n HIS 29 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3hlp h PRO 30 N 2.96 0.00 -0.00 -0.41 0.13 -1.50 -0.95 132.00 132.22 3hlp h PRO 30 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3hlp h PRO 30 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3hlp h PRO 30 CO 0.63 0.00 -0.32 1.04 -0.23 0.00 0.00 178.00 179.12 3hlp n GLN 31 N -2.80 0.25 -0.01 0.86 1.13 -1.26 -4.37 117.38 111.18 3hlp n GLN 31 Ca 0.00 -0.12 -0.02 0.00 -1.94 0.00 0.00 57.00 54.92 3hlp n GLN 31 Cb 0.22 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.05 3hlp n GLN 31 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3hlp n LEU 32 N -1.27 1.74 -4.14 1.08 7.94 -0.48 -4.71 117.00 117.16 3hlp n LEU 32 Ca 0.08 -0.01 -0.26 0.00 -1.11 0.00 0.00 56.01 54.72 3hlp n LEU 32 Cb 0.33 -0.03 -0.16 0.00 0.53 0.00 0.00 43.42 44.09 3hlp n LEU 32 CO 0.30 0.34 -0.50 -0.69 -1.11 0.00 0.00 177.39 175.73 3hlp s VAL 33 N -2.05 1.40 0.11 1.96 1.01 -0.52 -0.90 120.40 121.40 3hlp s VAL 33 Ca -0.03 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.26 3hlp s VAL 33 Cb 0.01 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 3hlp s VAL 33 CO 0.07 0.40 -0.06 -0.94 0.00 0.00 0.00 175.10 174.57 3hlp s SER 34 N -0.08 1.23 -0.19 3.32 1.04 -0.46 -4.55 113.70 114.00 3hlp s SER 34 Ca -0.01 -1.03 -0.03 0.00 0.48 0.00 0.00 55.95 55.36 3hlp s SER 34 Cb -0.10 0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 3hlp s SER 34 CO 0.01 -0.46 -0.07 -0.75 0.98 0.00 0.00 173.24 172.95 3hlp s LYS 35 N -3.83 3.38 -0.09 4.02 2.20 -1.26 -0.79 119.74 123.37 3hlp s LYS 35 Ca 0.14 -0.64 0.00 0.00 -0.36 0.00 0.00 55.97 55.12 3hlp s LYS 35 Cb 0.05 -2.90 -0.03 0.00 -1.51 0.00 0.00 37.83 33.44 3hlp s LYS 35 CO -0.03 -0.08 -0.08 -0.51 -0.36 0.00 0.00 175.35 174.29 3hlp s LEU 36 N 1.15 3.07 -0.33 5.43 1.43 0.38 -4.97 118.68 124.84 3hlp s LEU 36 Ca 0.02 -0.10 -0.14 0.00 -1.03 0.00 0.00 54.13 52.87 3hlp s LEU 36 Cb -0.14 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 3hlp s LEU 36 CO -0.01 0.31 0.32 -1.58 0.23 0.00 0.00 176.35 175.61 3hlp s GLN 37 N -0.47 3.62 0.00 1.70 0.74 -1.26 -0.61 119.66 123.38 3hlp s GLN 37 Ca 0.07 -0.42 0.24 0.00 0.05 0.00 0.00 55.36 55.29 3hlp s GLN 37 Cb -0.12 -3.78 0.19 0.00 1.10 0.00 0.00 33.01 30.40 3hlp s GLN 37 CO 0.02 -0.46 1.22 0.44 -0.55 0.00 0.00 175.29 175.97 3hlp n ILE 38 N 5.19 0.00 -1.94 -2.34 -5.35 0.02 -5.00 119.36 109.93 3hlp n ILE 38 Ca -0.10 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 3hlp n ILE 38 Cb 0.50 1.11 0.00 0.00 -1.74 0.00 0.00 39.64 39.51 3hlp n ILE 38 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hlp n GLY 39 N 1.39 -1.53 3.26 3.28 0.00 -1.24 -4.77 105.19 105.59 3hlp n GLY 39 Ca 0.11 -1.04 -0.28 0.00 0.00 0.00 0.00 46.02 44.81 3hlp n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hlp s ARG 40 N -1.31 1.67 1.13 1.61 0.52 -1.26 -0.86 118.95 120.45 3hlp s ARG 40 Ca 0.00 -0.88 -0.16 0.00 -0.52 0.00 0.00 55.73 54.17 3hlp s ARG 40 Cb 0.00 -1.70 0.25 0.00 0.52 0.00 0.00 34.95 34.03 3hlp s ARG 40 CO 0.00 0.45 1.10 -1.54 0.02 0.00 0.00 175.30 175.33 3hlp s SER 41 N -0.81 1.47 0.25 0.23 1.04 0.13 -4.76 113.70 111.24 3hlp s SER 41 Ca 0.09 0.87 -0.04 0.00 0.48 0.00 0.00 55.95 57.35 3hlp s SER 41 Cb -0.09 -1.30 0.42 0.00 0.10 0.00 0.00 66.02 65.16 3hlp s SER 41 CO 0.00 -3.81 1.79 0.22 0.98 0.00 0.00 173.24 172.43 3hlp h TYR 42 N -2.36 0.80 -0.28 5.02 3.20 -1.96 0.05 116.97 121.44 3hlp h TYR 42 Ca -0.49 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.41 3hlp h TYR 42 Cb 1.31 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.35 3hlp h TYR 42 CO -1.15 0.29 0.00 0.39 -1.64 0.00 0.00 178.16 176.06 3hlp n GLU 43 N -4.79 1.82 -0.73 1.82 1.02 -1.26 -4.90 120.64 113.62 3hlp n GLU 43 Ca 0.14 -1.09 0.00 0.00 -0.02 0.00 0.00 57.16 56.19 3hlp n GLU 43 Cb 0.31 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 3hlp n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hlp n GLY 44 N 0.85 0.63 3.77 0.62 0.00 0.00 -5.05 105.19 106.02 3hlp n GLY 44 Ca 0.10 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 3hlp n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hlp s ARG 45 N -0.32 4.47 0.45 1.61 0.52 -1.26 -4.64 118.95 119.78 3hlp s ARG 45 Ca 0.00 1.57 -0.25 0.00 -0.52 0.00 0.00 55.73 56.54 3hlp s ARG 45 Cb 0.00 -2.88 -0.08 0.00 0.52 0.00 0.00 34.95 32.51 3hlp s ARG 45 CO 0.00 0.12 1.32 -2.14 0.02 0.00 0.00 175.30 174.62 3hlp s PRO 46 N -1.93 3.73 -0.24 3.54 0.02 -1.26 0.18 135.00 139.04 3hlp s PRO 46 Ca 0.50 2.17 -0.07 0.00 0.02 0.00 0.00 61.00 63.62 3hlp s PRO 46 Cb -0.25 -2.59 -0.03 0.00 0.02 0.00 0.00 34.50 31.65 3hlp s PRO 46 CO 0.32 -0.70 0.06 0.42 -0.33 0.00 0.00 177.00 176.77 3hlp s ILE 47 N -1.30 4.26 0.00 2.83 1.01 -0.04 -4.78 121.20 123.19 3hlp s ILE 47 Ca 0.61 -0.19 0.06 0.00 0.00 0.00 0.00 60.65 61.13 3hlp s ILE 47 Cb -0.38 -2.98 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 3hlp s ILE 47 CO 0.48 0.36 -0.17 -0.31 0.00 0.00 0.00 174.94 175.30 3hlp s TYR 48 N 1.45 2.61 -0.03 3.97 2.02 -1.26 -0.80 117.35 125.30 3hlp s TYR 48 Ca 0.05 -0.23 0.05 0.00 -0.37 0.00 0.00 57.07 56.58 3hlp s TYR 48 Cb -0.15 -1.53 -0.01 0.00 -0.40 0.00 0.00 41.96 39.87 3hlp s TYR 48 CO 0.03 0.21 -0.20 0.08 -1.57 0.00 0.00 175.55 174.10 3hlp s VAL 49 N -0.84 1.61 -0.12 0.71 1.01 0.22 -4.42 120.40 118.57 3hlp s VAL 49 Ca 0.13 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 61.06 3hlp s VAL 49 Cb -0.11 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 3hlp s VAL 49 CO 0.03 0.46 0.60 -0.76 0.00 0.00 0.00 175.10 175.43 3hlp s LEU 50 N -0.23 4.25 -0.25 3.92 1.43 -0.10 -0.47 118.68 127.23 3hlp s LEU 50 Ca 0.02 0.94 -0.09 0.00 -1.03 0.00 0.00 54.13 53.97 3hlp s LEU 50 Cb -0.10 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.20 3hlp s LEU 50 CO 0.01 -0.12 0.11 -0.75 0.23 0.00 0.00 176.35 175.84 3hlp s LYS 51 N 1.06 3.83 -0.24 1.70 2.20 0.03 -0.65 119.74 127.67 3hlp s LYS 51 Ca 0.31 -0.39 -0.08 0.00 -0.36 0.00 0.00 55.97 55.45 3hlp s LYS 51 Cb -0.16 -3.43 -0.03 0.00 -1.51 0.00 0.00 37.83 32.69 3hlp s LYS 51 CO 0.13 -0.10 0.08 -0.06 -0.36 0.00 0.00 175.35 175.04 3hlp s PHE 52 N 1.44 3.14 -0.09 4.03 0.40 0.57 -1.35 117.98 126.12 3hlp s PHE 52 Ca 0.06 -0.23 -0.25 0.00 -0.60 0.00 0.00 56.93 55.91 3hlp s PHE 52 Cb -0.15 -2.22 0.06 0.00 0.51 0.00 0.00 43.02 41.22 3hlp s PHE 52 CO 0.06 -0.21 0.59 0.45 0.70 0.00 0.00 175.22 176.80 3hlp s SER 53 N 1.33 -0.56 0.00 1.36 0.15 -0.08 -1.16 113.70 114.74 3hlp s SER 53 Ca 0.05 0.74 0.14 0.00 0.70 0.00 0.00 55.95 57.58 3hlp s SER 53 Cb -0.15 0.70 0.30 0.00 -1.71 0.00 0.00 66.02 65.16 3hlp s SER 53 CO 0.04 -0.47 1.20 0.35 1.20 0.00 0.00 173.24 175.57 3hlp n THR 54 N 1.50 0.67 0.00 6.45 -2.24 -1.25 -4.33 114.28 115.08 3hlp n THR 54 Ca -0.18 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.77 3hlp n THR 54 Cb 0.56 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 3hlp n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hlp n GLY 55 N 0.80 0.80 0.36 3.38 0.00 -1.26 -5.08 105.19 104.18 3hlp n GLY 55 Ca 0.13 -1.70 0.05 0.00 0.00 0.00 0.00 46.02 44.49 3hlp n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hlp n GLY 56 N 0.00 -2.18 3.01 -0.02 0.00 -1.26 -4.74 105.19 99.99 3hlp n GLY 56 Ca 0.00 -1.45 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 3hlp n GLY 56 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hlp s SER 57 N -3.21 4.25 -1.12 1.61 1.04 -1.26 -4.76 113.70 110.24 3hlp s SER 57 Ca 0.00 -1.40 -0.33 0.00 0.48 0.00 0.00 55.95 54.70 3hlp s SER 57 Cb 0.00 -1.40 0.05 0.00 0.10 0.00 0.00 66.02 64.76 3hlp s SER 57 CO 0.00 -0.23 0.63 0.59 0.98 0.00 0.00 173.24 175.21 3hlp n ASN 58 N 4.51 -3.82 -4.58 7.02 5.03 -1.26 -4.92 115.26 117.24 3hlp n ASN 58 Ca -0.11 -1.22 -0.34 0.00 0.87 0.00 0.00 54.58 53.78 3hlp n ASN 58 Cb 0.43 -1.47 0.11 0.00 -1.02 0.00 0.00 39.78 37.83 3hlp n ASN 58 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3hlp n ARG 59 N -4.77 0.12 -1.59 3.52 1.74 -1.26 -4.86 116.66 109.56 3hlp n ARG 59 Ca -0.11 0.10 -0.45 0.00 -0.77 0.00 0.00 57.85 56.63 3hlp n ARG 59 Cb 0.52 -2.16 -0.02 0.00 -1.02 0.00 0.00 32.46 29.79 3hlp n ARG 59 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3hlp n PRO 60 N -2.28 1.34 -4.23 5.56 -0.02 -1.26 -4.52 135.00 129.59 3hlp n PRO 60 Ca 0.11 0.47 -0.18 0.00 -2.02 0.00 0.00 63.50 61.89 3hlp n PRO 60 Cb 0.51 -1.86 -0.11 0.00 -0.02 0.00 0.00 33.50 32.02 3hlp n PRO 60 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hlp s ALA 61 N -0.94 1.43 -0.17 3.55 0.00 -0.61 -1.47 121.76 123.54 3hlp s ALA 61 Ca 0.60 -1.26 -0.03 0.00 0.00 0.00 0.00 51.96 51.27 3hlp s ALA 61 Cb -0.72 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 3hlp s ALA 61 CO 0.59 0.09 -0.06 0.42 0.00 0.00 0.00 175.76 176.80 3hlp s ILE 62 N -2.12 3.49 -0.07 0.00 1.01 -0.24 -0.35 121.20 122.92 3hlp s ILE 62 Ca 0.08 -0.49 -0.14 0.00 0.00 0.00 0.00 60.65 60.10 3hlp s ILE 62 Cb -0.05 -2.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.84 3hlp s ILE 62 CO 0.03 0.47 0.35 0.86 0.00 0.00 0.00 174.94 176.65 3hlp s TRP 63 N 0.76 3.62 -0.12 3.97 -0.11 -0.16 -0.51 118.94 126.39 3hlp s TRP 63 Ca -0.03 0.81 -0.02 0.00 1.22 0.00 0.00 56.10 58.08 3hlp s TRP 63 Cb -0.15 -2.28 0.04 0.00 -1.50 0.00 0.00 33.47 29.58 3hlp s TRP 63 CO 0.02 0.50 0.02 0.42 -4.62 0.00 0.00 176.95 173.29 3hlp s ILE 64 N -0.48 0.39 -0.12 5.86 1.01 0.01 -0.04 121.20 127.84 3hlp s ILE 64 Ca 0.21 -0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.68 3hlp s ILE 64 Cb -0.15 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 3hlp s ILE 64 CO 0.09 0.06 0.04 1.51 0.00 0.00 0.00 174.94 176.64 3hlp s ASP 65 N 1.95 5.49 0.13 3.58 1.47 -0.24 -0.60 116.67 128.44 3hlp s ASP 65 Ca 0.03 0.16 0.07 0.00 1.18 0.00 0.00 52.55 53.99 3hlp s ASP 65 Cb -0.14 -1.71 -0.04 0.00 -0.34 0.00 0.00 42.92 40.69 3hlp s ASP 65 CO -0.06 0.32 -0.17 -0.76 0.68 0.00 0.00 175.17 175.18 3hlp s LEU 66 N -0.53 2.39 -1.11 2.11 1.02 0.00 -0.28 118.68 122.28 3hlp s LEU 66 Ca 0.10 -0.79 0.00 0.00 0.02 0.00 0.00 54.13 53.46 3hlp s LEU 66 Cb -0.12 -0.69 0.00 0.00 0.02 0.00 0.00 46.19 45.40 3hlp s LEU 66 CO 0.02 -0.07 0.00 0.61 0.02 0.00 0.00 176.35 176.93 3hlp n GLY 67 N 0.62 1.07 0.30 -3.19 0.00 -1.24 -1.47 105.19 101.27 3hlp n GLY 67 Ca -0.16 -0.53 0.03 0.00 0.00 0.00 0.00 46.02 45.37 3hlp n GLY 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hlp h ILE 68 N 0.00 1.12 -3.61 -0.61 2.10 -1.89 -3.17 117.51 111.45 3hlp h ILE 68 Ca -0.22 -0.32 -0.68 0.00 1.08 0.00 0.00 64.86 64.71 3hlp h ILE 68 Cb 0.75 0.62 -0.18 0.00 -1.09 0.00 0.00 36.82 36.92 3hlp h ILE 68 CO 0.32 0.14 -0.30 -1.00 -1.08 0.00 0.00 178.15 176.22 3hlp s HIS 69 N -5.36 3.20 0.31 2.19 3.76 -1.26 -4.59 115.29 113.54 3hlp s HIS 69 Ca -0.08 -0.23 0.01 0.00 -0.15 0.00 0.00 55.06 54.61 3hlp s HIS 69 Cb 0.17 -2.71 0.50 0.00 1.11 0.00 0.00 32.58 31.66 3hlp s HIS 69 CO 0.74 -0.53 1.87 0.66 -0.85 0.00 0.00 174.74 176.63 3hlp h SER 70 N 8.57 0.67 0.28 1.40 4.64 -1.51 -2.01 113.55 125.59 3hlp h SER 70 Ca -0.29 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3hlp h SER 70 Cb 1.13 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3hlp h SER 70 CO 0.72 0.66 0.00 -2.11 -0.87 0.00 0.00 176.83 175.23 3hlp n ARG 71 N -4.30 0.42 -1.69 4.77 1.85 -0.48 -4.13 116.66 113.10 3hlp n ARG 71 Ca 0.03 0.06 -0.40 0.00 -1.00 0.00 0.00 57.85 56.54 3hlp n ARG 71 Cb 0.20 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.10 3hlp n ARG 71 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3hlp n GLU 72 N -1.20 3.96 0.05 2.89 1.02 -0.76 -4.75 120.64 121.85 3hlp n GLU 72 Ca 0.12 -2.82 0.20 0.00 -0.02 0.00 0.00 57.16 54.64 3hlp n GLU 72 Cb 0.14 -2.79 0.73 0.00 -0.02 0.00 0.00 31.44 29.50 3hlp n GLU 72 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 3hlp h TRP 73 N 5.00 0.00 0.00 -0.32 4.06 -1.78 0.63 115.95 123.55 3hlp h TRP 73 Ca 0.75 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.69 3hlp h TRP 73 Cb 0.35 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.51 3hlp h TRP 73 CO 1.69 0.00 -0.05 0.97 -3.56 0.00 0.00 178.44 177.49 3hlp h ILE 74 N 0.00 0.55 -0.01 1.49 6.09 -1.85 -2.17 117.51 121.61 3hlp h ILE 74 Ca 0.22 -0.21 -0.01 0.00 -1.37 0.00 0.00 64.86 63.48 3hlp h ILE 74 Cb 0.98 1.14 0.00 0.00 0.47 0.00 0.00 36.82 39.41 3hlp h ILE 74 CO -0.00 0.05 -0.05 0.71 -3.07 0.00 0.00 178.15 175.79 3hlp h THR 75 N 0.00 1.56 -0.87 2.19 1.35 -1.20 -0.31 112.91 115.62 3hlp h THR 75 Ca -0.00 -1.71 -0.00 0.00 -0.55 0.00 0.00 66.41 64.14 3hlp h THR 75 Cb 0.13 2.70 -0.04 0.00 -1.73 0.00 0.00 68.15 69.21 3hlp h THR 75 CO 0.01 0.45 0.53 1.56 -0.25 0.00 0.00 175.52 177.82 3hlp h GLN 76 N -0.66 1.19 -0.75 4.72 7.50 -1.64 0.11 115.11 125.59 3hlp h GLN 76 Ca -0.00 -0.11 -0.04 0.00 0.50 0.00 0.00 58.65 59.00 3hlp h GLN 76 Cb 0.76 -0.25 -0.03 0.00 0.05 0.00 0.00 27.48 28.01 3hlp h GLN 76 CO 0.01 0.83 0.30 0.00 -1.50 0.00 0.00 178.83 178.47 3hlp h ALA 77 N 1.29 1.12 -0.73 3.87 0.00 -1.42 -1.19 119.26 122.20 3hlp h ALA 77 Ca 0.31 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3hlp h ALA 77 Cb -0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 3hlp h ALA 77 CO -0.06 0.63 0.22 1.15 0.00 0.00 0.00 179.25 181.19 3hlp h THR 78 N 1.08 1.26 -0.62 0.00 2.02 -0.44 -2.53 112.91 113.69 3hlp h THR 78 Ca 0.25 -0.92 0.03 0.00 0.77 0.00 0.00 66.41 66.54 3hlp h THR 78 Cb 0.20 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 3hlp h THR 78 CO -0.02 0.36 0.37 1.23 0.37 0.00 0.00 175.52 177.83 3hlp h GLY 79 N 1.08 0.88 0.95 2.16 0.00 -0.10 0.12 103.07 108.16 3hlp h GLY 79 Ca 0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 3hlp h GLY 79 CO -0.01 0.23 0.17 -2.08 0.00 0.00 0.00 176.54 174.85 3hlp h VAL 80 N 0.73 1.16 -0.44 4.60 2.07 -1.11 -1.02 116.25 122.24 3hlp h VAL 80 Ca 0.25 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3hlp h VAL 80 Cb 0.04 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3hlp h VAL 80 CO -0.11 0.16 0.25 -0.25 0.02 0.00 0.00 177.57 177.64 3hlp h TRP 81 N 0.43 0.59 -0.36 1.57 7.01 -1.07 -2.23 115.95 121.90 3hlp h TRP 81 Ca 0.12 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.18 3hlp h TRP 81 Cb 0.10 -0.19 -0.06 0.00 -2.10 0.00 0.00 29.16 26.90 3hlp h TRP 81 CO -0.02 0.44 -0.06 0.74 -2.79 0.00 0.00 178.44 176.75 3hlp h PHE 82 N 0.58 -0.13 -0.20 2.65 -1.00 -0.53 0.18 116.94 118.48 3hlp h PHE 82 Ca 0.16 0.03 0.04 0.00 2.81 0.00 0.00 57.97 61.00 3hlp h PHE 82 Cb 0.03 0.11 -0.04 0.00 3.61 0.00 0.00 35.95 39.67 3hlp h PHE 82 CO -0.03 -0.13 -0.03 0.00 -1.61 0.00 0.00 178.31 176.52 3hlp h ALA 83 N 1.34 0.15 -0.26 2.45 0.00 -0.82 0.11 119.26 122.24 3hlp h ALA 83 Ca 0.17 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3hlp h ALA 83 Cb 0.26 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3hlp h ALA 83 CO -0.34 -0.45 0.13 -0.22 0.00 0.00 0.00 179.25 178.36 3hlp h LYS 84 N 0.03 0.37 -0.93 0.00 1.63 -1.07 -2.99 116.57 113.61 3hlp h LYS 84 Ca 0.10 -0.05 0.07 0.00 -0.85 0.00 0.00 60.65 59.92 3hlp h LYS 84 Cb 0.13 -0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 31.63 3hlp h LYS 84 CO -0.19 0.35 0.58 -0.22 -3.45 0.00 0.00 179.45 176.53 3hlp h LYS 85 N 0.30 1.00 -0.73 1.90 1.63 0.01 -1.42 116.57 119.25 3hlp h LYS 85 Ca 0.09 -0.06 0.06 0.00 -0.85 0.00 0.00 60.65 59.89 3hlp h LYS 85 Cb 0.09 -0.23 -0.06 0.00 -0.60 0.00 0.00 32.23 31.44 3hlp h LYS 85 CO -0.01 0.66 0.43 0.74 -3.45 0.00 0.00 179.45 177.82 3hlp h PHE 86 N 1.03 0.78 0.00 1.91 0.04 -0.65 0.45 116.94 120.50 3hlp h PHE 86 Ca 0.41 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 61.12 3hlp h PHE 86 Cb 0.23 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 3hlp h PHE 86 CO -0.02 0.38 -0.41 1.79 -0.60 0.00 0.00 178.31 179.45 3hlp h THR 87 N 0.78 0.94 0.06 -1.55 1.35 -1.19 -2.38 112.91 110.93 3hlp h THR 87 Ca 0.33 -1.64 -0.20 0.00 -0.55 0.00 0.00 66.41 64.34 3hlp h THR 87 Cb 0.19 1.99 0.02 0.00 -1.73 0.00 0.00 68.15 68.62 3hlp h THR 87 CO -0.18 0.40 -0.81 -0.33 -0.25 0.00 0.00 175.52 174.35 3hlp h GLU 88 N 0.00 0.44 0.00 4.72 5.08 -0.67 -3.37 114.58 120.78 3hlp h GLU 88 Ca -0.00 -0.56 -0.04 0.00 -1.00 0.00 0.00 59.36 57.76 3hlp h GLU 88 Cb 0.96 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 3hlp h GLU 88 CO 0.05 1.21 -0.54 -0.44 -1.00 0.00 0.00 179.01 178.30 3hlp h ASP 89 N -0.07 0.00 -2.54 1.42 5.19 -0.88 -3.40 116.42 116.14 3hlp h ASP 89 Ca -0.12 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.74 3hlp h ASP 89 Cb 1.54 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.05 3hlp h ASP 89 CO 0.16 0.17 1.17 -0.47 -3.12 0.00 0.00 179.24 177.15 3hlp s TYR 90 N -3.17 1.78 0.00 4.55 5.04 -0.90 -0.80 117.35 123.85 3hlp s TYR 90 Ca 0.03 0.19 0.00 0.00 -2.44 0.00 0.00 57.07 54.85 3hlp s TYR 90 Cb 0.07 -4.01 0.00 0.00 0.35 0.00 0.00 41.96 38.38 3hlp s TYR 90 CO 0.73 -4.00 0.00 0.41 -1.34 0.00 0.00 175.55 171.36 3hlp n GLY 91 N 4.54 0.67 1.05 8.97 0.00 -1.26 -4.88 105.19 114.28 3hlp n GLY 91 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3hlp n GLY 91 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hlp n GLN 92 N -2.00 0.00 -3.01 1.61 3.00 -0.05 -5.00 117.38 111.93 3hlp n GLN 92 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 3hlp n GLN 92 Cb 0.00 -0.48 -0.05 0.00 0.00 0.00 0.00 30.24 29.71 3hlp n GLN 92 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3hlp s ASP 93 N -5.18 6.68 0.17 1.08 2.15 0.02 -4.98 116.67 116.61 3hlp s ASP 93 Ca 0.00 0.81 -0.17 0.00 0.43 0.00 0.00 52.55 53.62 3hlp s ASP 93 Cb 0.00 -2.38 0.10 0.00 -0.30 0.00 0.00 42.92 40.34 3hlp s ASP 93 CO 0.00 -0.46 1.67 -0.65 -0.17 0.00 0.00 175.17 175.56 3hlp h PRO 94 N 7.85 0.02 0.08 4.34 0.11 -1.94 -0.80 132.00 141.66 3hlp h PRO 94 Ca -0.25 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 3hlp h PRO 94 Cb 1.11 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hlp h PRO 94 CO 0.82 0.01 -0.04 1.03 -0.21 0.00 0.00 178.00 179.62 3hlp h SER 95 N 0.02 -0.09 -0.40 -2.05 0.87 -1.96 -0.80 113.55 109.13 3hlp h SER 95 Ca 0.20 -0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.61 3hlp h SER 95 Cb 0.30 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 3hlp h SER 95 CO -0.40 0.02 -0.01 0.15 -0.53 0.00 0.00 176.83 176.05 3hlp h PHE 96 N -0.19 0.85 -0.64 2.24 3.57 -1.88 -1.57 116.94 119.32 3hlp h PHE 96 Ca -0.01 -0.12 0.01 0.00 3.53 0.00 0.00 57.97 61.37 3hlp h PHE 96 Cb 0.16 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3hlp h PHE 96 CO -0.04 0.79 0.42 1.15 -2.23 0.00 0.00 178.31 178.40 3hlp h THR 97 N 0.74 1.16 -1.01 4.41 2.02 -1.00 -1.25 112.91 117.98 3hlp h THR 97 Ca 0.14 -0.30 0.02 0.00 0.77 0.00 0.00 66.41 67.04 3hlp h THR 97 Cb 0.46 0.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.04 3hlp h THR 97 CO 0.02 0.16 0.67 0.00 0.37 0.00 0.00 175.52 176.74 3hlp h ALA 98 N 1.24 1.29 0.28 6.16 0.00 -0.55 -0.62 119.26 127.05 3hlp h ALA 98 Ca 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3hlp h ALA 98 Cb -0.10 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.30 3hlp h ALA 98 CO -0.05 0.65 -0.13 0.82 0.00 0.00 0.00 179.25 180.53 3hlp h ILE 99 N 1.35 0.76 0.00 0.00 2.04 -0.77 -3.12 117.51 117.77 3hlp h ILE 99 Ca 0.38 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.96 3hlp h ILE 99 Cb -0.13 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3hlp h ILE 99 CO -0.09 0.06 0.00 0.25 0.00 0.00 0.00 178.15 178.37 3hlp h LEU 100 N -0.52 0.00 -0.29 1.44 5.85 -1.05 0.29 115.31 121.04 3hlp h LEU 100 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3hlp h LEU 100 Cb 0.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3hlp h LEU 100 CO 0.06 0.00 0.00 0.47 -0.34 0.00 0.00 178.44 178.63 3hlp n ASP 101 N -2.89 0.56 0.00 1.25 8.00 -0.26 -3.92 116.55 119.29 3hlp n ASP 101 Ca 0.01 0.59 0.00 0.00 0.71 0.00 0.00 54.79 56.11 3hlp n ASP 101 Cb 0.30 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 3hlp n ASP 101 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3hlp n SER 102 N -2.07 1.65 -4.14 -2.24 7.64 -0.67 -4.99 113.62 108.80 3hlp n SER 102 Ca 0.04 -0.12 -0.12 0.00 1.01 0.00 0.00 58.87 59.68 3hlp n SER 102 Cb 0.31 0.57 -0.11 0.00 -1.01 0.00 0.00 64.21 63.97 3hlp n SER 102 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3hlp s MET 103 N -0.90 0.74 0.13 1.43 -1.94 0.93 -4.35 119.30 115.35 3hlp s MET 103 Ca 0.00 -1.14 0.04 0.00 -1.71 0.00 0.00 55.69 52.89 3hlp s MET 103 Cb 0.00 -0.26 -0.04 0.00 2.01 0.00 0.00 34.83 36.54 3hlp s MET 103 CO 0.00 0.01 0.12 -0.51 -0.01 0.00 0.00 175.02 174.63 3hlp s ASP 104 N -2.52 5.53 -0.08 3.03 1.01 -0.54 -4.24 116.67 118.85 3hlp s ASP 104 Ca 0.04 -0.08 0.05 0.00 0.71 0.00 0.00 52.55 53.27 3hlp s ASP 104 Cb -0.00 -1.46 -0.00 0.00 1.01 0.00 0.00 42.92 42.46 3hlp s ASP 104 CO -0.03 0.11 -0.24 -0.63 0.21 0.00 0.00 175.17 174.59 3hlp s ILE 105 N -1.61 2.06 -0.24 0.77 1.01 -0.31 -1.07 121.20 121.82 3hlp s ILE 105 Ca 0.30 -1.04 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 3hlp s ILE 105 Cb -0.11 -1.76 0.02 0.00 0.01 0.00 0.00 42.46 40.61 3hlp s ILE 105 CO 0.23 0.56 -0.07 -0.36 0.00 0.00 0.00 174.94 175.31 3hlp s PHE 106 N 0.14 3.02 -0.23 3.97 0.40 0.34 -0.31 117.98 125.30 3hlp s PHE 106 Ca -0.13 -1.42 -0.01 0.00 -0.60 0.00 0.00 56.93 54.77 3hlp s PHE 106 Cb -0.16 -2.06 0.02 0.00 0.51 0.00 0.00 43.02 41.33 3hlp s PHE 106 CO 0.07 -0.70 -0.09 -1.17 0.70 0.00 0.00 175.22 174.03 3hlp s LEU 107 N 1.36 2.97 -0.50 -0.37 2.96 0.18 -0.81 118.68 124.47 3hlp s LEU 107 Ca 0.02 -0.81 -0.07 0.00 -0.22 0.00 0.00 54.13 53.05 3hlp s LEU 107 Cb -0.16 -1.63 0.13 0.00 0.50 0.00 0.00 46.19 45.03 3hlp s LEU 107 CO -0.05 -0.10 0.35 -0.70 -1.32 0.00 0.00 176.35 174.54 3hlp s GLU 108 N 1.32 2.43 0.12 1.98 2.12 0.23 -0.92 118.70 125.99 3hlp s GLU 108 Ca 0.01 -1.96 -0.11 0.00 0.36 0.00 0.00 54.97 53.28 3hlp s GLU 108 Cb -0.16 -3.83 -0.09 0.00 0.26 0.00 0.00 34.13 30.31 3hlp s GLU 108 CO -0.06 -1.17 1.37 0.82 -0.54 0.00 0.00 175.26 175.69 3hlp h ILE 109 N 5.96 1.28 -3.15 -3.70 2.04 -1.82 0.04 117.51 118.17 3hlp h ILE 109 Ca -0.14 -1.87 -0.62 0.00 1.00 0.00 0.00 64.86 63.23 3hlp h ILE 109 Cb 1.04 1.82 -0.42 0.00 -0.74 0.00 0.00 36.82 38.53 3hlp h ILE 109 CO 0.79 0.60 -0.59 -0.69 0.00 0.00 0.00 178.15 178.25 3hlp s VAL 110 N -3.92 2.78 0.15 1.67 1.01 -1.26 -4.08 120.40 116.76 3hlp s VAL 110 Ca -0.10 -4.02 0.27 0.00 0.00 0.00 0.00 61.98 58.13 3hlp s VAL 110 Cb 0.10 -2.85 0.28 0.00 0.00 0.00 0.00 36.38 33.90 3hlp s VAL 110 CO 0.89 -0.96 1.89 0.74 0.00 0.00 0.00 175.10 177.66 3hlp h THR 111 N 4.67 0.41 -2.50 3.92 2.02 -1.40 -3.32 112.91 116.70 3hlp h THR 111 Ca 0.09 -0.92 -0.60 0.00 0.77 0.00 0.00 66.41 65.76 3hlp h THR 111 Cb 0.79 1.67 -0.40 0.00 -1.74 0.00 0.00 68.15 68.46 3hlp h THR 111 CO 0.71 0.15 -0.77 -3.20 0.37 0.00 0.00 175.52 172.78 3hlp n ASN 112 N -3.33 1.83 0.06 4.18 4.05 -1.20 -4.85 115.26 116.00 3hlp n ASN 112 Ca 0.00 -2.97 0.01 0.00 0.45 0.00 0.00 54.58 52.07 3hlp n ASN 112 Cb 0.38 -0.67 0.32 0.00 1.23 0.00 0.00 39.78 41.05 3hlp n ASN 112 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3hlp h PRO 113 N 4.91 0.39 -0.31 1.20 0.13 -1.90 -1.18 132.00 135.25 3hlp h PRO 113 Ca 0.18 -0.09 -0.06 0.00 -0.87 0.00 0.00 66.00 65.16 3hlp h PRO 113 Cb 0.79 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 3hlp h PRO 113 CO 0.62 0.49 -0.04 -0.44 -0.23 0.00 0.00 178.00 178.40 3hlp h ASP 114 N 0.37 0.56 -0.78 1.44 3.32 -1.94 0.28 116.42 119.67 3hlp h ASP 114 Ca 0.07 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.75 3hlp h ASP 114 Cb 0.40 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 3hlp h ASP 114 CO 0.02 0.77 0.33 1.23 -1.72 0.00 0.00 179.24 179.87 3hlp h GLY 115 N 0.34 1.23 0.91 2.75 0.00 -1.71 -1.03 103.07 105.56 3hlp h GLY 115 Ca 0.08 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.74 3hlp h GLY 115 CO 0.02 0.61 0.10 -2.75 0.00 0.00 0.00 176.54 174.53 3hlp h PHE 116 N 1.12 0.49 -0.91 5.60 3.57 -0.96 0.20 116.94 126.05 3hlp h PHE 116 Ca 0.26 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.76 3hlp h PHE 116 Cb 0.18 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.72 3hlp h PHE 116 CO 0.02 0.50 0.59 0.00 -2.23 0.00 0.00 178.31 177.18 3hlp h ALA 117 N 0.94 1.22 -0.40 2.41 0.00 -0.79 -1.55 119.26 121.10 3hlp h ALA 117 Ca 0.10 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3hlp h ALA 117 Cb 0.23 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3hlp h ALA 117 CO -0.00 0.42 0.05 0.35 0.00 0.00 0.00 179.25 180.06 3hlp h PHE 118 N 1.12 0.62 0.00 0.00 3.57 -0.41 -1.08 116.94 120.77 3hlp h PHE 118 Ca 0.37 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 3hlp h PHE 118 Cb 0.05 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.61 3hlp h PHE 118 CO -0.02 0.57 -0.04 1.79 -2.23 0.00 0.00 178.31 178.39 3hlp h THR 119 N 0.58 0.14 0.04 4.41 1.35 0.06 0.16 112.91 119.66 3hlp h THR 119 Ca 0.13 -0.51 -0.33 0.00 -0.55 0.00 0.00 66.41 65.15 3hlp h THR 119 Cb 0.30 1.44 -0.04 0.00 -1.73 0.00 0.00 68.15 68.12 3hlp h THR 119 CO 0.01 0.04 -1.90 1.41 -0.25 0.00 0.00 175.52 174.82 3hlp n HIS 120 N -3.19 0.94 -0.07 4.73 8.25 -0.78 -3.37 115.22 121.71 3hlp n HIS 120 Ca -0.00 0.28 -0.06 0.00 -0.26 0.00 0.00 57.72 57.67 3hlp n HIS 120 Cb 0.27 -1.15 -0.16 0.00 1.12 0.00 0.00 29.99 30.08 3hlp n HIS 120 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3hlp n SER 121 N -3.17 0.11 0.00 0.41 7.64 -0.48 -4.88 113.62 113.25 3hlp n SER 121 Ca -0.25 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.68 3hlp n SER 121 Cb 1.06 1.03 0.00 0.00 -1.01 0.00 0.00 64.21 65.29 3hlp n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hlp n GLN 122 N -2.71 0.00 -3.24 1.43 1.13 -0.09 -5.07 117.38 108.83 3hlp n GLN 122 Ca -0.26 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 54.77 3hlp n GLN 122 Cb 1.05 -0.53 -0.04 0.00 0.11 0.00 0.00 30.24 30.83 3hlp n GLN 122 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3hlp s ASN 123 N -3.79 -0.55 0.57 1.08 3.84 -0.41 -5.02 114.94 110.66 3hlp s ASN 123 Ca 0.00 0.11 0.27 0.00 0.21 0.00 0.00 52.86 53.46 3hlp s ASN 123 Cb 0.00 1.57 1.54 0.00 -0.55 0.00 0.00 41.25 43.81 3hlp s ASN 123 CO 0.00 -0.31 2.04 -0.09 -2.79 0.00 0.00 177.10 175.95 3hlp h ARG 124 N 8.09 0.00 -0.57 0.43 9.65 -1.78 -0.93 114.38 129.27 3hlp h ARG 124 Ca -0.11 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 3hlp h ARG 124 Cb 1.15 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 3hlp h ARG 124 CO 0.23 0.00 0.00 1.28 2.80 0.00 0.00 179.97 184.28 3hlp n LEU 125 N -3.96 3.07 -4.74 3.80 4.77 -1.26 -4.62 117.00 114.07 3hlp n LEU 125 Ca 0.05 -1.54 -0.42 0.00 -0.03 0.00 0.00 56.01 54.07 3hlp n LEU 125 Cb 0.44 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3hlp n LEU 125 CO 0.30 0.75 1.18 0.86 -1.33 0.00 0.00 177.39 179.14 3hlp s TRP 126 N -1.29 2.98 -0.10 -1.77 -0.11 -0.35 -4.79 118.94 113.52 3hlp s TRP 126 Ca 0.38 0.84 0.00 0.00 1.22 0.00 0.00 56.10 58.54 3hlp s TRP 126 Cb 0.20 -3.91 -0.06 0.00 -1.50 0.00 0.00 33.47 28.20 3hlp s TRP 126 CO 0.25 -3.12 -0.09 -2.13 -4.62 0.00 0.00 176.95 167.25 3hlp n ARG 127 N 2.85 0.24 -1.94 5.86 0.63 -1.26 -1.38 116.66 121.66 3hlp n ARG 127 Ca 0.09 0.06 -0.25 0.00 -0.92 0.00 0.00 57.85 56.83 3hlp n ARG 127 Cb 0.39 -1.16 0.16 0.00 0.45 0.00 0.00 32.46 32.30 3hlp n ARG 127 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3hlp n LYS 128 N -2.84 -0.85 -0.44 -0.14 5.02 -1.26 -2.01 118.16 115.63 3hlp n LYS 128 Ca -0.17 -2.06 -0.12 0.00 -2.02 0.00 0.00 58.31 53.94 3hlp n LYS 128 Cb 0.68 -1.06 0.10 0.00 -0.02 0.00 0.00 35.03 34.73 3hlp n LYS 128 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3hlp n THR 129 N -3.40 0.00 -1.16 -0.18 -2.24 -0.06 -4.31 114.28 102.93 3hlp n THR 129 Ca 0.15 -0.21 0.08 0.00 -2.27 0.00 0.00 64.05 61.81 3hlp n THR 129 Cb 0.53 -1.15 0.17 0.00 -2.10 0.00 0.00 70.33 67.78 3hlp n THR 129 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hlp n ARG 130 N -2.74 1.63 -2.09 -0.78 5.12 -1.26 -3.95 116.66 112.58 3hlp n ARG 130 Ca 0.06 -2.77 -0.37 0.00 -1.93 0.00 0.00 57.85 52.84 3hlp n ARG 130 Cb 0.23 -1.59 0.01 0.00 -1.16 0.00 0.00 32.46 29.95 3hlp n ARG 130 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3hlp s SER 131 N -2.76 5.73 -0.26 0.55 1.04 -1.26 -4.61 113.70 112.13 3hlp s SER 131 Ca 0.35 2.44 -0.09 0.00 0.48 0.00 0.00 55.95 59.14 3hlp s SER 131 Cb 0.31 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.78 3hlp s SER 131 CO 0.02 -1.23 0.11 0.68 0.98 0.00 0.00 173.24 173.80 3hlp s VAL 132 N -1.50 4.67 -0.35 5.02 -7.23 -1.26 -0.41 120.40 119.34 3hlp s VAL 132 Ca 0.69 -0.05 -0.29 0.00 -1.81 0.00 0.00 61.98 60.52 3hlp s VAL 132 Cb -0.32 -3.20 0.01 0.00 0.56 0.00 0.00 36.38 33.43 3hlp s VAL 132 CO 0.38 0.32 1.26 -0.89 -0.31 0.00 0.00 175.10 175.86 3hlp s THR 133 N 1.58 4.16 0.29 5.32 2.01 -1.23 -4.92 115.64 122.86 3hlp s THR 133 Ca 0.06 1.27 0.01 0.00 0.31 0.00 0.00 61.69 63.34 3hlp s THR 133 Cb -0.15 -4.28 0.28 0.00 0.01 0.00 0.00 72.50 68.36 3hlp s THR 133 CO 0.06 -0.62 1.89 0.77 -0.69 0.00 0.00 174.62 176.03 3hlp h SER 134 N 9.38 0.92 -0.84 3.53 4.64 -1.96 -1.49 113.55 127.73 3hlp h SER 134 Ca -0.25 0.02 -0.52 0.00 -0.47 0.00 0.00 61.79 60.57 3hlp h SER 134 Cb 1.09 -0.18 -0.25 0.00 -0.31 0.00 0.00 62.40 62.75 3hlp h SER 134 CO 1.06 0.57 0.67 -1.54 -0.87 0.00 0.00 176.83 176.71 3hlp n SER 135 N -4.52 5.86 -3.60 4.97 3.41 -1.26 -4.94 113.62 113.54 3hlp n SER 135 Ca 0.15 -3.48 -0.16 0.00 -0.26 0.00 0.00 58.87 55.11 3hlp n SER 135 Cb 0.24 -0.92 -0.07 0.00 -0.26 0.00 0.00 64.21 63.21 3hlp n SER 135 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3hlp s SER 136 N -1.11 -0.52 0.00 4.04 0.15 -0.56 -5.00 113.70 110.70 3hlp s SER 136 Ca 0.52 0.56 0.28 0.00 0.70 0.00 0.00 55.95 58.01 3hlp s SER 136 Cb 0.42 0.51 1.09 0.00 -1.71 0.00 0.00 66.02 66.33 3hlp s SER 136 CO 0.03 -0.54 1.78 0.18 1.20 0.00 0.00 173.24 175.89 3hlp n LEU 137 N 1.10 0.55 -4.90 3.45 7.99 -1.26 -4.69 117.00 119.24 3hlp n LEU 137 Ca -0.19 -0.02 -0.30 0.00 -0.01 0.00 0.00 56.01 55.48 3hlp n LEU 137 Cb 0.57 -0.19 -0.04 0.00 -0.11 0.00 0.00 43.42 43.64 3hlp n LEU 137 CO 0.23 0.11 0.07 0.00 -1.51 0.00 0.00 177.39 176.28 3hlp s VAL 139 N -1.77 2.23 0.00 0.00 1.01 -1.26 -3.49 120.40 117.11 3hlp s VAL 139 Ca 0.41 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3hlp s VAL 139 Cb -0.12 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.45 3hlp s VAL 139 CO 0.26 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.54 3hlp n GLY 140 N 2.78 0.24 3.28 4.51 0.00 0.46 -4.91 105.19 111.55 3hlp n GLY 140 Ca -0.17 -1.63 -0.25 0.00 0.00 0.00 0.00 46.02 43.97 3hlp n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hlp s VAL 141 N -2.88 1.76 -0.55 1.61 1.01 -1.26 -4.81 120.40 115.29 3hlp s VAL 141 Ca 0.00 -1.40 -0.27 0.00 0.00 0.00 0.00 61.98 60.30 3hlp s VAL 141 Cb 0.00 -1.56 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 3hlp s VAL 141 CO 0.00 0.09 1.63 -0.62 0.00 0.00 0.00 175.10 176.20 3hlp s ASP 142 N -1.57 5.79 0.22 3.32 -1.08 0.19 -0.88 116.67 122.66 3hlp s ASP 142 Ca 0.08 0.44 0.21 0.00 -0.52 0.00 0.00 52.55 52.76 3hlp s ASP 142 Cb -0.09 -2.54 0.92 0.00 -1.46 0.00 0.00 42.92 39.75 3hlp s ASP 142 CO 0.03 -1.95 1.64 0.00 0.52 0.00 0.00 175.17 175.42 3hlp n ALA 143 N 10.79 1.55 -0.69 3.66 0.00 -1.26 -1.13 120.51 133.42 3hlp n ALA 143 Ca 0.17 0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.70 3hlp n ALA 143 Cb 0.50 -1.34 0.32 0.00 0.00 0.00 0.00 19.45 18.92 3hlp n ALA 143 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hlp n ASN 144 N -2.11 4.85 -0.02 0.00 5.15 -1.26 -3.65 115.26 118.22 3hlp n ASN 144 Ca 0.02 -2.91 0.00 0.00 -0.60 0.00 0.00 54.58 51.09 3hlp n ASN 144 Cb 0.18 -0.69 0.00 0.00 -0.53 0.00 0.00 39.78 38.75 3hlp n ASN 144 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3hlp n ARG 145 N 0.28 1.49 0.00 1.20 1.74 -0.29 -3.75 116.66 117.33 3hlp n ARG 145 Ca 0.29 -1.06 0.11 0.00 -0.77 0.00 0.00 57.85 56.42 3hlp n ARG 145 Cb 1.15 -0.77 0.04 0.00 -1.02 0.00 0.00 32.46 31.86 3hlp n ARG 145 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3hlp n ASN 146 N -0.29 2.44 -4.84 0.55 4.05 -0.82 -4.25 115.26 112.11 3hlp n ASN 146 Ca 0.00 -1.72 -0.32 0.00 0.45 0.00 0.00 54.58 52.99 3hlp n ASN 146 Cb 0.39 0.26 -0.01 0.00 1.23 0.00 0.00 39.78 41.65 3hlp n ASN 146 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 3hlp s TRP 147 N -2.22 3.36 -1.46 1.20 0.52 0.12 -0.10 118.94 120.37 3hlp s TRP 147 Ca 0.22 1.43 -0.11 0.00 0.02 0.00 0.00 56.10 57.67 3hlp s TRP 147 Cb 0.19 -2.83 0.04 0.00 -1.15 0.00 0.00 33.47 29.71 3hlp s TRP 147 CO 0.44 -0.69 2.41 -3.47 0.02 0.00 0.00 176.95 175.66 3hlp n ASP 148 N -2.11 6.23 -3.40 2.95 2.03 -1.26 -4.13 116.55 116.87 3hlp n ASP 148 Ca 0.07 -2.86 -0.17 0.00 0.52 0.00 0.00 54.79 52.35 3hlp n ASP 148 Cb 0.54 -1.55 -0.10 0.00 -0.72 0.00 0.00 41.12 39.29 3hlp n ASP 148 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hlp s ALA 149 N 1.68 -0.44 -1.61 -1.67 0.00 -1.26 -4.80 121.76 113.65 3hlp s ALA 149 Ca 0.54 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.12 3hlp s ALA 149 Cb 0.15 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.46 3hlp s ALA 149 CO -0.06 -1.74 0.00 0.41 0.00 0.00 0.00 175.76 174.37 3hlp n GLY 150 N 5.24 -0.18 3.65 0.00 0.00 -1.26 -0.77 105.19 111.87 3hlp n GLY 150 Ca -0.01 -0.11 -0.47 0.00 0.00 0.00 0.00 46.02 45.43 3hlp n GLY 150 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hlp n PHE 151 N -3.87 2.04 -0.76 1.61 7.35 -1.26 -1.46 117.46 121.12 3hlp n PHE 151 Ca -0.22 0.42 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 3hlp n PHE 151 Cb 0.66 -2.46 0.00 0.00 0.35 0.00 0.00 39.48 38.03 3hlp n PHE 151 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hlp n GLY 152 N 2.66 1.24 3.92 7.13 0.00 -1.26 -4.94 105.19 113.93 3hlp n GLY 152 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3hlp n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hlp s LYS 153 N -0.09 1.50 0.27 1.61 3.01 -0.53 -4.94 119.74 120.57 3hlp s LYS 153 Ca 0.00 -0.13 -0.28 0.00 -1.01 0.00 0.00 55.97 54.56 3hlp s LYS 153 Cb 0.00 -1.94 -0.15 0.00 -1.01 0.00 0.00 37.83 34.74 3hlp s LYS 153 CO 0.00 -1.86 0.85 0.00 0.51 0.00 0.00 175.35 174.85 3hlp n ALA 154 N -3.44 -1.03 0.00 5.17 0.00 -1.26 -3.24 120.51 116.70 3hlp n ALA 154 Ca 0.11 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3hlp n ALA 154 Cb 0.60 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.16 3hlp n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hlp n GLY 155 N 1.46 1.06 3.50 0.00 0.00 -1.26 -4.00 105.19 105.95 3hlp n GLY 155 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 3hlp n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hlp s ALA 156 N -2.00 -0.70 -0.05 4.61 0.00 -1.20 -1.95 121.76 120.46 3hlp s ALA 156 Ca 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.56 3hlp s ALA 156 Cb 0.00 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.96 3hlp s ALA 156 CO 0.00 -0.78 -0.04 0.45 0.00 0.00 0.00 175.76 175.38 3hlp s SER 157 N -2.90 4.84 0.00 0.00 0.15 -0.25 -4.94 113.70 110.59 3hlp s SER 157 Ca 0.12 -0.00 0.27 0.00 0.70 0.00 0.00 55.95 57.04 3hlp s SER 157 Cb -0.00 -1.24 0.93 0.00 -1.71 0.00 0.00 66.02 63.99 3hlp s SER 157 CO -0.01 0.34 1.67 -1.54 1.20 0.00 0.00 173.24 174.90 3hlp n SER 158 N 1.98 1.36 -4.63 5.45 3.41 -1.26 -1.46 113.62 118.47 3hlp n SER 158 Ca -0.17 -1.29 -0.43 0.00 -0.26 0.00 0.00 58.87 56.72 3hlp n SER 158 Cb 0.53 0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.50 3hlp n SER 158 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3hlp s SER 159 N -2.18 6.84 0.53 4.04 0.01 -1.26 -4.94 113.70 116.74 3hlp s SER 159 Ca 0.33 0.88 0.23 0.00 1.31 0.00 0.00 55.95 58.71 3hlp s SER 159 Cb 0.20 -2.53 1.37 0.00 0.21 0.00 0.00 66.02 65.28 3hlp s SER 159 CO 0.40 -0.92 2.03 -0.65 0.41 0.00 0.00 173.24 174.51 3hlp h PRO 160 N 8.31 0.00 -0.00 12.44 0.11 -1.96 -0.64 132.00 150.27 3hlp h PRO 160 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3hlp h PRO 160 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3hlp h PRO 160 CO 1.04 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.81 3hlp s SER 162 N -2.82 5.90 0.59 0.00 0.15 -0.25 -4.90 113.70 112.37 3hlp s SER 162 Ca 0.20 2.42 0.29 0.00 0.70 0.00 0.00 55.95 59.57 3hlp s SER 162 Cb 0.19 -2.61 1.73 0.00 -1.71 0.00 0.00 66.02 63.63 3hlp s SER 162 CO 0.51 -1.11 2.17 -0.33 1.20 0.00 0.00 173.24 175.67 3hlp h GLU 163 N 1.84 0.00 -0.18 5.44 4.39 -1.91 -2.84 114.58 121.32 3hlp h GLU 163 Ca -0.50 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.14 3hlp h GLU 163 Cb 1.26 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.88 3hlp h GLU 163 CO 0.59 0.00 -0.12 0.25 -1.16 0.00 0.00 179.01 178.57 3hlp n THR 164 N -3.81 2.27 -1.87 1.13 -2.24 -1.26 -4.53 114.28 103.97 3hlp n THR 164 Ca -0.00 -2.52 -0.42 0.00 -2.27 0.00 0.00 64.05 58.84 3hlp n THR 164 Cb 0.22 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 3hlp n THR 164 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3hlp s TYR 165 N -3.06 2.53 -0.86 4.78 5.04 -1.08 -1.09 117.35 123.62 3hlp s TYR 165 Ca 0.40 0.31 0.27 0.00 -2.44 0.00 0.00 57.07 55.61 3hlp s TYR 165 Cb 0.35 -4.02 1.01 0.00 0.35 0.00 0.00 41.96 39.66 3hlp s TYR 165 CO 0.01 -4.03 1.85 -2.39 -1.34 0.00 0.00 175.55 169.65 3hlp n HIS 166 N 5.15 0.49 0.00 4.97 1.44 -0.53 -0.64 115.22 126.10 3hlp n HIS 166 Ca 0.16 0.14 0.00 0.00 -2.01 0.00 0.00 57.72 56.01 3hlp n HIS 166 Cb 0.39 -0.73 0.00 0.00 0.12 0.00 0.00 29.99 29.77 3hlp n HIS 166 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3hlp n GLY 167 N 1.37 -0.47 0.12 -1.39 0.00 -1.26 -4.21 105.19 99.36 3hlp n GLY 167 Ca 0.06 -1.79 -0.06 0.00 0.00 0.00 0.00 46.02 44.23 3hlp n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hlp h LYS 168 N 0.00 0.12 -3.09 1.61 6.56 -1.98 -3.47 116.57 116.33 3hlp h LYS 168 Ca 0.00 -0.12 -0.03 0.00 -1.06 0.00 0.00 60.65 59.44 3hlp h LYS 168 Cb 0.00 0.03 -0.12 0.00 -0.57 0.00 0.00 32.23 31.57 3hlp h LYS 168 CO 0.00 0.86 0.13 1.52 -2.06 0.00 0.00 179.45 179.90 3hlp s TYR 169 N -3.28 -0.45 0.33 -1.35 1.13 -1.26 -5.09 117.35 107.38 3hlp s TYR 169 Ca -0.02 0.22 -0.29 0.00 -1.41 0.00 0.00 57.07 55.58 3hlp s TYR 169 Cb 0.11 0.47 -0.12 0.00 -1.10 0.00 0.00 41.96 41.32 3hlp s TYR 169 CO 0.81 -0.80 1.40 0.00 -2.51 0.00 0.00 175.55 174.44 3hlp n ALA 170 N -0.30 1.74 -1.44 9.51 0.00 -1.26 -1.85 120.51 126.90 3hlp n ALA 170 Ca -0.17 0.36 -0.15 0.00 0.00 0.00 0.00 53.44 53.48 3hlp n ALA 170 Cb 0.64 -2.33 -0.06 0.00 0.00 0.00 0.00 19.45 17.70 3hlp n ALA 170 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hlp n ASN 171 N 1.01 -5.10 0.16 0.00 5.03 0.86 -4.88 115.26 112.34 3hlp n ASN 171 Ca 0.05 0.37 0.05 0.00 0.87 0.00 0.00 54.58 55.92 3hlp n ASN 171 Cb 0.36 -3.92 0.48 0.00 -1.02 0.00 0.00 39.78 35.68 3hlp n ASN 171 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 3hlp h SER 172 N 0.00 0.15 -3.31 6.41 4.64 -1.60 -3.41 113.55 116.43 3hlp h SER 172 Ca -0.31 -0.02 -0.58 0.00 -0.47 0.00 0.00 61.79 60.41 3hlp h SER 172 Cb 1.08 -0.04 -0.08 0.00 -0.31 0.00 0.00 62.40 63.05 3hlp h SER 172 CO 0.45 0.24 0.38 -1.61 -0.87 0.00 0.00 176.83 175.42 3hlp s GLU 173 N -4.89 4.26 0.54 4.77 0.41 -1.26 -4.93 118.70 117.60 3hlp s GLU 173 Ca -0.05 0.96 0.22 0.00 -0.41 0.00 0.00 54.97 55.68 3hlp s GLU 173 Cb 0.16 -3.59 1.47 0.00 -1.78 0.00 0.00 34.13 30.39 3hlp s GLU 173 CO 0.71 -0.35 2.17 -0.24 -0.49 0.00 0.00 175.26 177.05 3hlp h VAL 174 N 5.24 0.80 -0.24 2.63 3.04 -1.91 -0.05 116.25 125.76 3hlp h VAL 174 Ca -0.28 -0.11 -0.04 0.00 -1.01 0.00 0.00 66.70 65.26 3hlp h VAL 174 Cb 1.12 1.06 -0.01 0.00 -2.01 0.00 0.00 31.29 31.45 3hlp h VAL 174 CO 0.84 0.03 -0.01 -0.33 -1.01 0.00 0.00 177.57 177.09 3hlp h GLU 175 N 0.00 0.35 0.00 4.17 3.07 -1.88 0.86 114.58 121.15 3hlp h GLU 175 Ca -0.00 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.36 58.72 3hlp h GLU 175 Cb 0.06 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 3hlp h GLU 175 CO 0.00 0.39 -0.44 0.28 -1.40 0.00 0.00 179.01 177.85 3hlp h VAL 176 N 0.35 1.31 -0.67 3.13 2.07 -1.42 -3.34 116.25 117.68 3hlp h VAL 176 Ca 0.08 -2.15 0.05 0.00 0.82 0.00 0.00 66.70 65.50 3hlp h VAL 176 Cb 0.25 2.64 -0.04 0.00 -1.52 0.00 0.00 31.29 32.62 3hlp h VAL 176 CO 0.01 0.45 0.44 0.50 0.02 0.00 0.00 177.57 178.98 3hlp h LYS 177 N -1.00 0.69 -0.90 1.57 1.63 -1.04 -1.10 116.57 116.42 3hlp h LYS 177 Ca -0.12 -0.04 0.08 0.00 -0.85 0.00 0.00 60.65 59.72 3hlp h LYS 177 Cb 1.01 -0.16 -0.07 0.00 -0.60 0.00 0.00 32.23 32.42 3hlp h LYS 177 CO -0.07 0.46 0.55 0.77 -3.45 0.00 0.00 179.45 177.71 3hlp h SER 178 N 0.71 0.84 -0.08 4.20 0.02 -0.98 0.73 113.55 118.99 3hlp h SER 178 Ca 0.28 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.19 3hlp h SER 178 Cb 0.21 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3hlp h SER 178 CO -0.09 0.51 -0.25 0.40 -1.14 0.00 0.00 176.83 176.26 3hlp h ILE 179 N 0.96 1.42 -0.29 3.27 2.04 -1.36 -2.17 117.51 121.38 3hlp h ILE 179 Ca 0.41 -1.61 0.07 0.00 1.00 0.00 0.00 64.86 64.73 3hlp h ILE 179 Cb 0.28 2.25 -0.07 0.00 -0.74 0.00 0.00 36.82 38.54 3hlp h ILE 179 CO -0.21 0.46 -0.16 0.58 0.00 0.00 0.00 178.15 178.82 3hlp h VAL 180 N -0.17 0.53 -0.44 1.67 2.07 -0.97 0.47 116.25 119.40 3hlp h VAL 180 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3hlp h VAL 180 Cb 0.87 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3hlp h VAL 180 CO 0.05 0.00 0.22 0.44 0.02 0.00 0.00 177.57 178.30 3hlp h ASP 181 N -0.13 0.57 -0.39 0.57 3.32 -0.90 -0.16 116.42 119.31 3hlp h ASP 181 Ca 0.15 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3hlp h ASP 181 Cb 0.36 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3hlp h ASP 181 CO -0.37 0.53 0.16 0.15 -1.72 0.00 0.00 179.24 178.00 3hlp h PHE 182 N 0.58 0.58 -0.43 4.55 3.57 -0.80 0.16 116.94 125.14 3hlp h PHE 182 Ca 0.15 -0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 3hlp h PHE 182 Cb 0.10 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 3hlp h PHE 182 CO -0.01 0.52 -0.14 0.28 -2.23 0.00 0.00 178.31 176.72 3hlp h VAL 183 N 0.48 1.27 -0.25 1.41 2.07 -0.79 -0.76 116.25 119.68 3hlp h VAL 183 Ca 0.13 -1.27 -0.05 0.00 0.82 0.00 0.00 66.70 66.33 3hlp h VAL 183 Cb 0.18 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3hlp h VAL 183 CO -0.01 0.43 -0.03 0.11 0.02 0.00 0.00 177.57 178.09 3hlp h LYS 184 N 0.69 0.47 -0.89 1.57 1.57 -0.90 -2.18 116.57 116.90 3hlp h LYS 184 Ca 0.10 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3hlp h LYS 184 Cb 0.69 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.92 3hlp h LYS 184 CO 0.05 0.67 0.58 -0.44 -0.57 0.00 0.00 179.45 179.74 3hlp h ASP 185 N 0.23 0.98 0.29 0.86 3.32 -0.62 -3.05 116.42 118.44 3hlp h ASP 185 Ca 0.07 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3hlp h ASP 185 Cb 0.47 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3hlp h ASP 185 CO 0.02 0.69 -0.14 -0.74 -1.72 0.00 0.00 179.24 177.35 3hlp h HIS 186 N 1.15 -0.36 0.00 4.55 2.76 -1.05 -3.47 115.15 118.74 3hlp h HIS 186 Ca 0.34 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.51 3hlp h HIS 186 Cb -0.05 0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.03 3hlp h HIS 186 CO -0.01 -0.13 0.00 0.41 -1.30 0.00 0.00 177.93 176.89 3hlp n GLY 187 N -0.89 1.38 0.89 5.26 0.00 -0.83 -4.84 105.19 106.15 3hlp n GLY 187 Ca -0.10 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.97 3hlp n GLY 187 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hlp n ASN 188 N 0.00 1.39 -4.73 1.61 5.15 -1.26 -5.05 115.26 112.37 3hlp n ASN 188 Ca 0.00 -3.02 -0.42 0.00 -0.60 0.00 0.00 54.58 50.55 3hlp n ASN 188 Cb 0.00 -0.42 -0.03 0.00 -0.53 0.00 0.00 39.78 38.80 3hlp n ASN 188 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3hlp s PHE 189 N -1.81 3.41 -0.04 1.20 0.08 -1.26 -1.58 117.98 117.99 3hlp s PHE 189 Ca 0.34 1.33 0.07 0.00 0.12 0.00 0.00 56.93 58.79 3hlp s PHE 189 Cb 0.35 -3.46 -0.11 0.00 -0.57 0.00 0.00 43.02 39.23 3hlp s PHE 189 CO -0.10 -1.37 0.12 1.63 -0.10 0.00 0.00 175.22 175.40 3hlp n LYS 190 N 3.11 1.25 -4.11 0.44 4.76 0.53 -4.73 118.16 119.42 3hlp n LYS 190 Ca 0.07 -0.05 -0.15 0.00 -2.87 0.00 0.00 58.31 55.31 3hlp n LYS 190 Cb 0.45 -1.19 -0.12 0.00 -1.84 0.00 0.00 35.03 32.33 3hlp n LYS 190 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hlp s ALA 191 N -2.40 0.82 -0.22 7.82 0.00 -1.07 -2.83 121.76 123.88 3hlp s ALA 191 Ca -0.03 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 3hlp s ALA 191 Cb 0.04 -0.01 0.11 0.00 0.00 0.00 0.00 23.12 23.26 3hlp s ALA 191 CO 0.32 0.05 0.26 0.12 0.00 0.00 0.00 175.76 176.51 3hlp s PHE 192 N -1.41 -0.41 -0.17 0.00 2.19 -0.17 -0.98 117.98 117.04 3hlp s PHE 192 Ca -0.06 0.31 0.00 0.00 0.33 0.00 0.00 56.93 57.51 3hlp s PHE 192 Cb -0.10 -0.29 0.01 0.00 -1.31 0.00 0.00 43.02 41.33 3hlp s PHE 192 CO 0.01 -0.66 -0.17 -0.51 1.83 0.00 0.00 175.22 175.72 3hlp s LEU 193 N 2.38 2.34 -0.19 6.12 1.43 0.94 -1.65 118.68 130.05 3hlp s LEU 193 Ca 0.08 -0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 52.59 3hlp s LEU 193 Cb -0.16 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 3hlp s LEU 193 CO -0.15 0.05 -0.01 -0.44 0.23 0.00 0.00 176.35 176.03 3hlp s SER 194 N 1.03 4.86 -0.20 2.29 0.01 -0.18 -1.08 113.70 120.44 3hlp s SER 194 Ca -0.01 -0.17 -0.04 0.00 1.31 0.00 0.00 55.95 57.04 3hlp s SER 194 Cb -0.15 -1.82 -0.02 0.00 0.21 0.00 0.00 66.02 64.25 3hlp s SER 194 CO -0.05 0.10 -0.03 -0.63 0.41 0.00 0.00 173.24 173.04 3hlp s ILE 195 N 0.78 3.62 0.28 1.44 -1.09 0.61 -1.00 121.20 125.85 3hlp s ILE 195 Ca -0.00 -0.43 0.02 0.00 -2.23 0.00 0.00 60.65 58.01 3hlp s ILE 195 Cb -0.14 -2.63 -0.05 0.00 -1.58 0.00 0.00 42.46 38.07 3hlp s ILE 195 CO 0.02 0.44 0.11 -1.00 -1.23 0.00 0.00 174.94 173.29 3hlp s HIS 196 N 1.05 1.58 0.09 3.97 3.76 0.63 -3.66 115.29 122.71 3hlp s HIS 196 Ca 0.01 -1.23 -0.03 0.00 -0.15 0.00 0.00 55.06 53.66 3hlp s HIS 196 Cb -0.15 -0.92 -0.03 0.00 1.11 0.00 0.00 32.58 32.60 3hlp s HIS 196 CO 0.01 -0.37 0.07 -1.54 -0.85 0.00 0.00 174.74 172.06 3hlp s SER 197 N -3.35 0.32 0.32 1.40 1.04 -1.26 -0.07 113.70 112.09 3hlp s SER 197 Ca 0.37 -0.98 0.06 0.00 0.48 0.00 0.00 55.95 55.87 3hlp s SER 197 Cb 0.07 0.28 -0.06 0.00 0.10 0.00 0.00 66.02 66.41 3hlp s SER 197 CO 0.15 -0.70 -0.02 -0.72 0.98 0.00 0.00 173.24 172.93 3hlp s TYR 198 N -3.95 2.08 0.00 5.02 -0.85 -1.26 -4.88 117.35 113.51 3hlp s TYR 198 Ca 0.13 -0.75 0.00 0.00 -0.52 0.00 0.00 57.07 55.93 3hlp s TYR 198 Cb 0.07 -1.29 0.00 0.00 0.38 0.00 0.00 41.96 41.12 3hlp s TYR 198 CO -0.06 0.26 0.00 0.43 -1.52 0.00 0.00 175.55 174.66 3hlp n SER 199 N -0.69 0.00 -2.87 -0.18 7.64 -0.21 -4.84 113.62 112.47 3hlp n SER 199 Ca -0.04 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.76 3hlp n SER 199 Cb 0.65 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.88 3hlp n SER 199 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hlp n GLN 200 N 0.00 -1.53 -4.21 1.43 6.02 0.13 -4.69 117.38 114.53 3hlp n GLN 200 Ca 0.00 0.97 -0.17 0.00 -0.01 0.00 0.00 57.00 57.79 3hlp n GLN 200 Cb 0.00 -5.03 -0.13 0.00 1.02 0.00 0.00 30.24 26.10 3hlp n GLN 200 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hlp s LEU 201 N -4.41 2.14 -0.20 1.08 1.43 -0.50 -1.72 118.68 116.51 3hlp s LEU 201 Ca 0.22 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 3hlp s LEU 201 Cb -0.03 -0.36 0.03 0.00 0.03 0.00 0.00 46.19 45.86 3hlp s LEU 201 CO 0.61 -0.03 -0.17 -0.22 0.23 0.00 0.00 176.35 176.77 3hlp s LEU 202 N -0.91 2.40 0.01 1.79 2.96 -0.20 -0.47 118.68 124.25 3hlp s LEU 202 Ca -0.02 -0.81 0.08 0.00 -0.22 0.00 0.00 54.13 53.16 3hlp s LEU 202 Cb -0.07 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.13 3hlp s LEU 202 CO 0.00 -0.05 -0.24 -0.76 -1.32 0.00 0.00 176.35 173.98 3hlp s LEU 203 N 1.26 2.10 0.43 -0.68 1.43 0.62 -2.74 118.68 121.11 3hlp s LEU 203 Ca 0.02 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 52.69 3hlp s LEU 203 Cb -0.15 -1.20 -0.05 0.00 0.03 0.00 0.00 46.19 44.83 3hlp s LEU 203 CO -0.11 0.26 0.13 -0.72 0.23 0.00 0.00 176.35 176.14 3hlp s TYR 204 N -0.68 2.43 0.75 0.29 -0.85 -0.71 -0.56 117.35 118.02 3hlp s TYR 204 Ca 0.10 -0.67 -0.13 0.00 -0.52 0.00 0.00 57.07 55.85 3hlp s TYR 204 Cb -0.09 -1.87 0.05 0.00 0.38 0.00 0.00 41.96 40.42 3hlp s TYR 204 CO 0.00 0.21 1.12 -2.14 -1.52 0.00 0.00 175.55 173.23 3hlp s PRO 205 N -3.88 2.27 0.31 -3.49 0.02 -1.26 -1.16 135.00 127.82 3hlp s PRO 205 Ca 0.35 1.37 0.08 0.00 0.02 0.00 0.00 61.00 62.82 3hlp s PRO 205 Cb 0.05 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.64 3hlp s PRO 205 CO 0.19 -1.66 0.11 0.71 -0.33 0.00 0.00 177.00 176.03 3hlp s TYR 206 N -2.56 2.74 -0.13 6.54 2.02 -1.26 -4.56 117.35 120.14 3hlp s TYR 206 Ca 0.65 -0.32 0.07 0.00 -0.37 0.00 0.00 57.07 57.10 3hlp s TYR 206 Cb -0.20 -1.51 -0.23 0.00 -0.40 0.00 0.00 41.96 39.61 3hlp s TYR 206 CO 0.50 0.42 0.31 0.41 -1.57 0.00 0.00 175.55 175.62 3hlp n GLY 207 N -1.09 -0.77 0.17 0.71 0.00 -1.26 -1.64 105.19 101.30 3hlp n GLY 207 Ca -0.04 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.91 3hlp n GLY 207 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3hlp h TYR 208 N 0.02 0.00 -3.88 1.61 -0.00 -1.60 -0.26 116.97 112.86 3hlp h TYR 208 Ca -0.43 0.00 -0.20 0.00 -0.00 0.00 0.00 58.73 58.10 3hlp h TYR 208 Cb 2.05 0.00 -0.24 0.00 -0.00 0.00 0.00 36.73 38.54 3hlp h TYR 208 CO 0.03 0.00 -0.71 -0.08 -0.00 0.00 0.00 178.16 177.40 3hlp s THR 209 N -3.25 0.10 -1.30 -0.90 -1.32 -1.26 -4.88 115.64 102.83 3hlp s THR 209 Ca 0.05 -0.55 0.22 0.00 -1.21 0.00 0.00 61.69 60.20 3hlp s THR 209 Cb 0.08 -0.19 0.33 0.00 -1.51 0.00 0.00 72.50 71.21 3hlp s THR 209 CO 0.71 -0.28 1.73 0.35 -2.21 0.00 0.00 174.62 174.91 3hlp n THR 210 N 2.20 0.35 -1.67 5.08 -2.24 -1.26 -4.43 114.28 112.31 3hlp n THR 210 Ca -0.19 0.09 -0.48 0.00 -2.27 0.00 0.00 64.05 61.20 3hlp n THR 210 Cb 0.57 -0.71 -0.05 0.00 -2.10 0.00 0.00 70.33 68.04 3hlp n THR 210 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3hlp n GLN 211 N -1.35 2.01 -2.36 -0.78 7.27 -1.26 -4.93 117.38 115.98 3hlp n GLN 211 Ca 0.09 0.73 -0.42 0.00 0.07 0.00 0.00 57.00 57.47 3hlp n GLN 211 Cb 0.20 -2.51 -0.03 0.00 2.41 0.00 0.00 30.24 30.31 3hlp n GLN 211 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3hlp s SER 212 N 2.07 7.03 0.50 1.69 0.01 -1.26 -4.50 113.70 119.23 3hlp s SER 212 Ca 0.85 2.10 -0.22 0.00 1.31 0.00 0.00 55.95 59.99 3hlp s SER 212 Cb -0.73 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 62.86 3hlp s SER 212 CO 0.45 -0.50 1.25 0.27 0.41 0.00 0.00 173.24 175.12 3hlp s ILE 213 N 0.98 2.62 0.56 1.44 -4.36 -1.26 -4.89 121.20 116.29 3hlp s ILE 213 Ca 0.59 0.47 0.36 0.00 -0.26 0.00 0.00 60.65 61.81 3hlp s ILE 213 Cb -0.31 -3.24 0.39 0.00 1.25 0.00 0.00 42.46 40.55 3hlp s ILE 213 CO 0.30 -0.01 2.26 1.55 0.24 0.00 0.00 174.94 179.28 3hlp h PRO 214 N 1.76 0.00 -0.81 0.37 0.13 -1.98 -2.04 132.00 129.43 3hlp h PRO 214 Ca -0.50 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.35 3hlp h PRO 214 Cb 1.27 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.23 3hlp h PRO 214 CO 0.59 0.02 0.36 -0.25 -0.23 0.00 0.00 178.00 178.49 3hlp n ASP 215 N -3.44 4.66 -0.06 1.44 8.00 -1.26 -4.69 116.55 121.20 3hlp n ASP 215 Ca -0.03 -3.30 -0.10 0.00 0.71 0.00 0.00 54.79 52.08 3hlp n ASP 215 Cb 0.12 -0.77 -0.03 0.00 -0.02 0.00 0.00 41.12 40.42 3hlp n ASP 215 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3hlp h LYS 216 N 2.36 0.31 -0.35 -1.24 3.11 -1.73 -0.54 116.57 118.48 3hlp h LYS 216 Ca 0.35 -0.02 0.06 0.00 -2.81 0.00 0.00 60.65 58.23 3hlp h LYS 216 Cb 2.47 -0.07 -0.06 0.00 -1.00 0.00 0.00 32.23 33.57 3hlp h LYS 216 CO 0.83 0.22 -0.01 1.15 -2.81 0.00 0.00 179.45 178.83 3hlp h THR 217 N 0.30 0.73 0.25 1.00 2.02 -1.86 0.12 112.91 115.47 3hlp h THR 217 Ca 0.08 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 3hlp h THR 217 Cb -0.02 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 3hlp h THR 217 CO -0.02 0.02 -0.12 -0.08 0.37 0.00 0.00 175.52 175.69 3hlp h GLU 218 N 0.09 -0.32 -0.28 6.66 4.81 -1.85 -2.31 114.58 121.37 3hlp h GLU 218 Ca 0.17 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 3hlp h GLU 218 Cb 0.24 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3hlp h GLU 218 CO -0.30 -0.11 -0.08 -0.07 -0.73 0.00 0.00 179.01 177.73 3hlp h LEU 219 N -0.49 0.43 -0.59 1.64 3.38 -0.95 -0.56 115.31 118.17 3hlp h LEU 219 Ca -0.03 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3hlp h LEU 219 Cb 0.37 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3hlp h LEU 219 CO 0.06 0.55 0.26 -1.13 0.09 0.00 0.00 178.44 178.27 3hlp h ASN 220 N 0.43 0.79 -0.10 -0.43 -0.73 -0.70 0.15 115.58 114.99 3hlp h ASN 220 Ca 0.09 -0.15 -0.16 0.00 1.87 0.00 0.00 56.30 57.94 3hlp h ASN 220 Cb 0.41 -0.20 -0.00 0.00 0.27 0.00 0.00 38.32 38.79 3hlp h ASN 220 CO 0.02 0.72 -0.52 -0.61 -0.37 0.00 0.00 177.43 176.67 3hlp h GLN 221 N 0.81 0.68 -0.44 6.67 5.75 -0.93 -0.50 115.11 127.14 3hlp h GLN 221 Ca 0.20 -0.41 0.02 0.00 -0.15 0.00 0.00 58.65 58.31 3hlp h GLN 221 Cb 0.15 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.72 3hlp h GLN 221 CO -0.02 1.03 0.25 0.28 -2.65 0.00 0.00 178.83 177.72 3hlp h VAL 222 N 0.53 1.04 -0.72 2.39 2.07 -0.92 -0.04 116.25 120.60 3hlp h VAL 222 Ca 0.02 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 3hlp h VAL 222 Cb 1.08 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 3hlp h VAL 222 CO 0.11 0.09 0.29 0.00 0.02 0.00 0.00 177.57 178.08 3hlp h ALA 223 N 1.20 0.93 -0.41 1.67 0.00 -0.80 0.51 119.26 122.37 3hlp h ALA 223 Ca 0.18 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3hlp h ALA 223 Cb 0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3hlp h ALA 223 CO -0.09 0.54 0.22 -0.22 0.00 0.00 0.00 179.25 179.71 3hlp h LYS 224 N 1.02 0.44 -0.55 0.00 3.64 -0.50 -0.56 116.57 120.05 3hlp h LYS 224 Ca 0.24 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 3hlp h LYS 224 Cb 0.20 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3hlp h LYS 224 CO -0.02 0.29 0.21 1.03 -2.27 0.00 0.00 179.45 178.69 3hlp h SER 225 N 0.45 0.76 -0.50 4.20 0.87 -0.53 -1.64 113.55 117.17 3hlp h SER 225 Ca 0.17 -0.17 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 3hlp h SER 225 Cb 0.05 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 3hlp h SER 225 CO -0.10 0.73 0.14 0.00 -0.53 0.00 0.00 176.83 177.07 3hlp h ALA 226 N 1.06 0.65 -0.49 6.23 0.00 -0.60 -0.97 119.26 125.14 3hlp h ALA 226 Ca 0.18 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3hlp h ALA 226 Cb 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hlp h ALA 226 CO -0.01 0.32 -0.03 -0.39 0.00 0.00 0.00 179.25 179.14 3hlp h VAL 227 N 0.67 1.25 -0.39 0.00 -1.51 -1.02 -0.34 116.25 114.92 3hlp h VAL 227 Ca 0.16 -1.07 -0.02 0.00 -1.23 0.00 0.00 66.70 64.54 3hlp h VAL 227 Cb 0.30 0.90 -0.02 0.00 -2.13 0.00 0.00 31.29 30.35 3hlp h VAL 227 CO -0.00 0.38 0.17 0.00 -1.23 0.00 0.00 177.57 176.89 3hlp h ALA 228 N 1.20 0.50 -0.24 5.19 0.00 -1.00 0.50 119.26 125.41 3hlp h ALA 228 Ca 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hlp h ALA 228 Cb 0.50 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3hlp h ALA 228 CO 0.03 0.08 0.15 0.00 0.00 0.00 0.00 179.25 179.51 3hlp h ALA 229 N 1.02 0.30 -0.22 0.00 0.00 -0.93 -1.15 119.26 118.28 3hlp h ALA 229 Ca 0.13 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3hlp h ALA 229 Cb 0.15 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3hlp h ALA 229 CO -0.01 -0.22 0.02 1.25 0.00 0.00 0.00 179.25 180.29 3hlp h LEU 230 N 0.31 -0.04 -1.90 0.00 6.46 -0.92 -2.35 115.31 116.86 3hlp h LEU 230 Ca 0.09 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 3hlp h LEU 230 Cb -0.02 0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 39.97 3hlp h LEU 230 CO -0.02 0.01 -0.11 0.50 -0.62 0.00 0.00 178.44 178.20 3hlp h LYS 231 N 0.09 0.00 0.00 1.25 3.64 -0.49 -3.11 116.57 117.96 3hlp h LYS 231 Ca 0.10 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3hlp h LYS 231 Cb 0.12 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3hlp h LYS 231 CO -0.16 0.11 -0.01 0.66 -2.27 0.00 0.00 179.45 177.78 3hlp h SER 232 N 0.00 0.00 0.00 4.20 4.64 -0.65 0.23 113.55 121.97 3hlp h SER 232 Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3hlp h SER 232 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3hlp h SER 232 CO 0.01 0.01 -0.39 0.25 -0.87 0.00 0.00 176.83 175.85 3hlp h LEU 233 N 0.00 0.00 -0.83 5.97 5.85 -1.67 -3.43 115.31 121.20 3hlp h LEU 233 Ca -0.00 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.20 3hlp h LEU 233 Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3hlp h LEU 233 CO 0.00 0.98 0.00 -1.22 -0.34 0.00 0.00 178.44 177.87 3hlp n TYR 234 N -4.60 0.00 -1.00 1.25 4.01 -1.20 -5.00 117.16 110.62 3hlp n TYR 234 Ca -0.13 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 3hlp n TYR 234 Cb 0.40 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 3hlp n TYR 234 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hlp n GLY 235 N -0.03 0.44 3.67 2.72 0.00 0.80 -5.00 105.19 107.80 3hlp n GLY 235 Ca 0.00 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 3hlp n GLY 235 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hlp s THR 236 N -2.00 3.32 -0.25 2.61 2.01 -1.25 -4.96 115.64 115.12 3hlp s THR 236 Ca 0.00 0.54 -0.18 0.00 0.31 0.00 0.00 61.69 62.36 3hlp s THR 236 Cb 0.00 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.14 3hlp s THR 236 CO 0.00 -0.03 0.52 -0.44 -0.69 0.00 0.00 174.62 173.98 3hlp s SER 237 N 3.17 6.47 0.02 3.53 0.01 -1.26 -3.97 113.70 121.67 3hlp s SER 237 Ca 0.76 0.57 0.04 0.00 1.31 0.00 0.00 55.95 58.63 3hlp s SER 237 Cb -0.37 -2.29 -0.03 0.00 0.21 0.00 0.00 66.02 63.54 3hlp s SER 237 CO 0.32 -0.27 -0.10 -0.31 0.41 0.00 0.00 173.24 173.29 3hlp s TYR 238 N 2.18 2.79 0.28 2.43 1.51 -1.26 -4.87 117.35 120.42 3hlp s TYR 238 Ca 0.22 -0.10 -0.01 0.00 -1.01 0.00 0.00 57.07 56.17 3hlp s TYR 238 Cb -0.16 -1.56 -0.04 0.00 -0.11 0.00 0.00 41.96 40.10 3hlp s TYR 238 CO 0.09 0.34 0.49 0.15 -1.11 0.00 0.00 175.55 175.51 3hlp s LYS 239 N -1.48 3.52 0.05 -0.62 1.02 -0.70 -4.95 119.74 116.58 3hlp s LYS 239 Ca 0.17 -0.30 -0.08 0.00 0.02 0.00 0.00 55.97 55.78 3hlp s LYS 239 Cb -0.11 -2.73 -0.00 0.00 -0.52 0.00 0.00 37.83 34.47 3hlp s LYS 239 CO 0.07 0.26 0.16 1.52 -0.92 0.00 0.00 175.35 176.45 3hlp s TYR 240 N -2.10 0.12 -5.00 3.18 -0.85 -1.26 -1.03 117.35 110.40 3hlp s TYR 240 Ca 0.40 -0.41 0.00 0.00 -0.52 0.00 0.00 57.07 56.54 3hlp s TYR 240 Cb -0.10 -0.07 0.00 0.00 0.38 0.00 0.00 41.96 42.16 3hlp s TYR 240 CO 0.32 -0.43 0.00 0.41 -1.52 0.00 0.00 175.55 174.33 3hlp n GLY 241 N 0.56 -0.62 3.79 5.49 0.00 -1.11 -5.00 105.19 108.30 3hlp n GLY 241 Ca -0.18 -1.47 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 3hlp n GLY 241 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hlp s SER 242 N -3.82 5.44 0.15 1.61 1.04 -1.26 -1.73 113.70 115.13 3hlp s SER 242 Ca 0.00 1.91 -0.21 0.00 0.48 0.00 0.00 55.95 58.14 3hlp s SER 242 Cb 0.00 -2.54 0.03 0.00 0.10 0.00 0.00 66.02 63.61 3hlp s SER 242 CO 0.00 -1.40 1.66 0.40 0.98 0.00 0.00 173.24 174.88 3hlp h ILE 243 N 0.23 0.55 -0.30 -1.02 2.04 -1.09 -1.68 117.51 116.23 3hlp h ILE 243 Ca -0.47 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.31 3hlp h ILE 243 Cb 1.23 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 3hlp h ILE 243 CO 0.56 0.00 -0.16 -0.29 0.00 0.00 0.00 178.15 178.26 3hlp h ILE 244 N -0.14 1.24 0.00 -0.67 2.10 -1.38 -0.91 117.51 117.76 3hlp h ILE 244 Ca 0.14 -1.11 -0.06 0.00 1.08 0.00 0.00 64.86 64.91 3hlp h ILE 244 Cb 0.35 1.19 -0.01 0.00 -1.09 0.00 0.00 36.82 37.25 3hlp h ILE 244 CO -0.33 0.36 -0.44 0.71 -1.08 0.00 0.00 178.15 177.37 3hlp h THR 245 N 0.48 0.45 0.00 2.19 1.35 -1.79 -3.35 112.91 112.24 3hlp h THR 245 Ca 0.08 -1.66 -0.34 0.00 -0.55 0.00 0.00 66.41 63.94 3hlp h THR 245 Cb 0.55 2.16 -0.06 0.00 -1.73 0.00 0.00 68.15 69.07 3hlp h THR 245 CO 0.04 0.26 -2.27 0.41 -0.25 0.00 0.00 175.52 173.70 3hlp n THR 246 N -3.11 1.27 0.06 6.82 -1.04 -0.65 -4.89 114.28 112.74 3hlp n THR 246 Ca 0.02 -0.78 0.00 0.00 -2.04 0.00 0.00 64.05 61.25 3hlp n THR 246 Cb 0.65 -0.52 0.00 0.00 -1.82 0.00 0.00 70.33 68.64 3hlp n THR 246 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hlp n ILE 247 N -2.69 0.34 -3.58 12.58 0.13 -0.38 -5.08 119.36 120.68 3hlp n ILE 247 Ca -0.30 0.11 -0.05 0.00 -1.10 0.00 0.00 62.75 61.41 3hlp n ILE 247 Cb 1.10 -0.79 -0.02 0.00 -0.84 0.00 0.00 39.64 39.09 3hlp n ILE 247 CO 0.00 0.00 0.00 -0.72 2.80 0.00 0.00 176.55 178.63 3hlp s TYR 248 N -1.58 -0.19 0.19 9.51 -0.85 -1.09 -5.03 117.35 118.32 3hlp s TYR 248 Ca 0.00 0.08 -0.32 0.00 -0.52 0.00 0.00 57.07 56.32 3hlp s TYR 248 Cb 0.00 0.54 -0.11 0.00 0.38 0.00 0.00 41.96 42.77 3hlp s TYR 248 CO 0.00 -0.37 1.63 -1.14 -1.52 0.00 0.00 175.55 174.15 3hlp s GLN 249 N -2.71 4.17 -0.11 -3.49 0.74 -1.26 -3.66 119.66 113.34 3hlp s GLN 249 Ca 0.09 2.47 -0.06 0.00 0.05 0.00 0.00 55.36 57.92 3hlp s GLN 249 Cb -0.00 -3.11 0.05 0.00 1.10 0.00 0.00 33.01 31.04 3hlp s GLN 249 CO -0.05 -0.67 0.26 0.00 -0.55 0.00 0.00 175.29 174.28 3hlp s ALA 250 N 1.08 -0.60 0.33 1.58 0.00 -0.11 -4.41 121.76 119.64 3hlp s ALA 250 Ca 0.71 1.04 0.08 0.00 0.00 0.00 0.00 51.96 53.79 3hlp s ALA 250 Cb -0.46 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 3hlp s ALA 250 CO 0.32 -0.26 0.21 -1.54 0.00 0.00 0.00 175.76 174.50 3hlp s SER 251 N 1.42 4.99 -1.50 0.00 1.04 -0.82 -1.49 113.70 117.33 3hlp s SER 251 Ca -0.08 -0.63 -0.02 0.00 0.48 0.00 0.00 55.95 55.70 3hlp s SER 251 Cb -0.10 -0.86 0.00 0.00 0.10 0.00 0.00 66.02 65.16 3hlp s SER 251 CO -0.09 -0.31 0.30 0.61 0.98 0.00 0.00 173.24 174.73 3hlp n GLY 252 N -1.25 -0.40 3.92 7.32 0.00 0.05 -4.34 105.19 110.49 3hlp n GLY 252 Ca -0.03 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 3hlp n GLY 252 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hlp s GLY 253 N -2.47 1.75 0.08 -0.02 0.00 -1.25 -0.70 107.32 104.71 3hlp s GLY 253 Ca 0.15 -0.76 -0.22 0.00 0.00 0.00 0.00 44.72 43.88 3hlp s GLY 253 CO 0.18 -0.70 1.68 1.48 0.00 0.00 0.00 173.10 175.75 3hlp h SER 254 N 1.74 0.07 1.57 1.64 4.64 -1.91 -1.80 113.55 119.49 3hlp h SER 254 Ca -0.48 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 60.73 3hlp h SER 254 Cb 1.19 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3hlp h SER 254 CO 0.66 0.12 -0.15 0.16 -0.87 0.00 0.00 176.83 176.75 3hlp h ILE 255 N 0.01 0.29 -0.34 0.95 3.07 -1.92 0.87 117.51 120.44 3hlp h ILE 255 Ca 0.02 -1.23 -0.09 0.00 1.55 0.00 0.00 64.86 65.11 3hlp h ILE 255 Cb 0.07 1.99 -0.01 0.00 -0.27 0.00 0.00 36.82 38.60 3hlp h ILE 255 CO -0.00 0.15 -0.14 0.44 -1.05 0.00 0.00 178.15 177.54 3hlp h ASP 256 N 0.00 0.71 0.03 2.16 5.19 -1.90 -1.23 116.42 121.37 3hlp h ASP 256 Ca -0.00 -0.40 -0.00 0.00 -0.62 0.00 0.00 57.03 56.01 3hlp h ASP 256 Cb 0.98 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.29 3hlp h ASP 256 CO 0.02 0.95 -0.01 -0.25 -3.12 0.00 0.00 179.24 176.82 3hlp h TRP 257 N 0.46 -0.03 -0.62 4.55 7.01 -0.87 -2.29 115.95 124.16 3hlp h TRP 257 Ca 0.08 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.05 3hlp h TRP 257 Cb 0.67 0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.72 3hlp h TRP 257 CO 0.06 0.11 0.27 0.66 -2.79 0.00 0.00 178.44 176.75 3hlp h SER 258 N -0.17 0.84 -0.85 2.65 4.64 -0.82 -1.68 113.55 118.15 3hlp h SER 258 Ca -0.00 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.13 3hlp h SER 258 Cb 0.16 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 61.99 3hlp h SER 258 CO 0.01 0.76 0.40 0.22 -0.87 0.00 0.00 176.83 177.35 3hlp h TYR 259 N 0.87 1.23 0.00 4.77 3.20 -1.26 -1.50 116.97 124.28 3hlp h TYR 259 Ca 0.21 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3hlp h TYR 259 Cb 0.17 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.06 3hlp h TYR 259 CO 0.01 0.89 0.00 -0.91 -1.64 0.00 0.00 178.16 176.51 3hlp h ASN 260 N 1.21 0.00 0.71 -2.11 2.35 -0.76 -0.06 115.58 116.92 3hlp h ASN 260 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 3hlp h ASN 260 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 3hlp h ASN 260 CO -0.04 0.00 -0.10 0.00 -1.65 0.00 0.00 177.43 175.64 3hlp n GLN 261 N -2.63 0.22 -0.05 0.81 1.13 -0.64 -4.91 117.38 111.31 3hlp n GLN 261 Ca 0.01 -0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 3hlp n GLN 261 Cb 0.22 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.07 3hlp n GLN 261 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hlp n GLY 262 N 1.41 0.98 3.49 1.08 0.00 -0.04 -5.05 105.19 107.06 3hlp n GLY 262 Ca 0.10 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3hlp n GLY 262 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hlp s ILE 263 N -2.00 4.31 0.08 -0.61 1.01 -0.77 -4.92 121.20 118.30 3hlp s ILE 263 Ca 0.00 -0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.42 3hlp s ILE 263 Cb 0.00 -4.64 -0.10 0.00 0.01 0.00 0.00 42.46 37.74 3hlp s ILE 263 CO 0.00 -1.34 1.47 0.50 0.00 0.00 0.00 174.94 175.56 3hlp h LYS 264 N 9.49 0.46 -3.75 2.79 3.64 -1.87 -3.33 116.57 124.01 3hlp h LYS 264 Ca -0.28 -0.18 -0.75 0.00 -1.27 0.00 0.00 60.65 58.18 3hlp h LYS 264 Cb 1.07 -0.02 -0.15 0.00 -0.41 0.00 0.00 32.23 32.72 3hlp h LYS 264 CO 1.15 0.69 2.03 0.66 -2.27 0.00 0.00 179.45 181.71 3hlp n TYR 265 N -4.57 3.28 -3.77 1.91 4.01 -1.13 -4.91 117.16 111.98 3hlp n TYR 265 Ca -0.04 -2.88 -0.37 0.00 -0.16 0.00 0.00 57.90 54.45 3hlp n TYR 265 Cb 0.30 -2.04 -0.13 0.00 -0.31 0.00 0.00 39.34 37.16 3hlp n TYR 265 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3hlp s SER 266 N 1.36 5.06 0.02 7.72 0.01 -1.25 -1.00 113.70 125.62 3hlp s SER 266 Ca 0.41 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.07 3hlp s SER 266 Cb 0.08 -1.88 -0.01 0.00 0.21 0.00 0.00 66.02 64.42 3hlp s SER 266 CO -0.00 -0.15 -0.03 -0.36 0.41 0.00 0.00 173.24 173.11 3hlp s PHE 267 N 1.52 0.24 -0.14 2.43 0.08 -0.66 -4.25 117.98 117.19 3hlp s PHE 267 Ca 0.03 -0.35 -0.00 0.00 0.12 0.00 0.00 56.93 56.73 3hlp s PHE 267 Cb -0.17 -0.16 -0.01 0.00 -0.57 0.00 0.00 43.02 42.11 3hlp s PHE 267 CO 0.02 -0.11 -0.13 0.99 -0.10 0.00 0.00 175.22 175.89 3hlp s THR 268 N -0.95 2.99 -0.17 0.64 2.01 0.27 -1.01 115.64 119.42 3hlp s THR 268 Ca -0.10 -0.67 -0.12 0.00 0.31 0.00 0.00 61.69 61.11 3hlp s THR 268 Cb -0.07 -2.27 -0.05 0.00 0.01 0.00 0.00 72.50 70.13 3hlp s THR 268 CO -0.01 0.51 0.22 -0.36 -0.69 0.00 0.00 174.62 174.30 3hlp s PHE 269 N 0.55 3.45 -0.36 4.92 0.40 -0.17 -0.28 117.98 126.50 3hlp s PHE 269 Ca -0.08 0.49 -0.07 0.00 -0.60 0.00 0.00 56.93 56.66 3hlp s PHE 269 Cb -0.16 -2.24 0.05 0.00 0.51 0.00 0.00 43.02 41.18 3hlp s PHE 269 CO 0.04 0.30 0.14 -1.21 0.70 0.00 0.00 175.22 175.19 3hlp s GLU 270 N 0.31 2.61 0.23 0.44 0.41 0.38 -0.27 118.70 122.80 3hlp s GLU 270 Ca 0.13 -1.24 -0.04 0.00 -0.41 0.00 0.00 54.97 53.41 3hlp s GLU 270 Cb -0.12 -3.54 0.05 0.00 -1.78 0.00 0.00 34.13 28.74 3hlp s GLU 270 CO 0.02 -0.73 0.28 1.28 -0.49 0.00 0.00 175.26 175.61 3hlp n LEU 271 N 4.84 0.00 -4.62 1.80 4.77 0.90 -0.69 117.00 123.99 3hlp n LEU 271 Ca -0.12 -0.30 -0.35 0.00 -0.03 0.00 0.00 56.01 55.21 3hlp n LEU 271 Cb 0.44 -0.22 0.10 0.00 -2.33 0.00 0.00 43.42 41.41 3hlp n LEU 271 CO 0.33 -0.86 0.56 0.54 -1.33 0.00 0.00 177.39 176.63 3hlp n ARG 272 N -1.79 0.39 0.00 3.23 1.74 -1.26 -1.44 116.66 117.53 3hlp n ARG 272 Ca 0.04 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 3hlp n ARG 272 Cb 0.13 -2.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.31 3hlp n ARG 272 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3hlp n ASP 273 N -2.04 0.00 -0.79 0.55 5.68 -1.26 -4.65 116.55 114.05 3hlp n ASP 273 Ca 0.13 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.49 3hlp n ASP 273 Cb 0.50 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.64 3hlp n ASP 273 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3hlp n THR 274 N 0.00 0.71 0.00 2.12 -2.24 -1.26 -1.05 114.28 112.56 3hlp n THR 274 Ca 0.00 -0.85 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 3hlp n THR 274 Cb 0.00 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 3hlp n THR 274 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hlp n GLY 275 N 0.86 0.96 0.23 3.38 0.00 -1.26 -4.91 105.19 104.46 3hlp n GLY 275 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 3hlp n GLY 275 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hlp h ARG 276 N 0.00 -0.37 0.00 1.61 2.43 -2.02 -3.27 114.38 112.76 3hlp h ARG 276 Ca 0.00 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3hlp h ARG 276 Cb 0.00 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3hlp h ARG 276 CO 0.00 -0.25 -1.77 0.66 -1.51 0.00 0.00 179.97 177.10 3hlp n TYR 277 N -5.32 0.00 0.00 2.20 4.01 -1.26 -5.07 117.16 111.72 3hlp n TYR 277 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 3hlp n TYR 277 Cb 0.23 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 38.84 3hlp n TYR 277 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hlp n GLY 278 N 1.68 3.24 0.25 2.72 0.00 -1.24 -1.61 105.19 110.24 3hlp n GLY 278 Ca -0.06 -0.15 0.14 0.00 0.00 0.00 0.00 46.02 45.95 3hlp n GLY 278 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3hlp h PHE 279 N 0.00 0.00 -1.20 1.61 0.04 -1.92 -3.31 116.94 112.16 3hlp h PHE 279 Ca 0.00 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 60.17 3hlp h PHE 279 Cb 0.00 0.00 -0.17 0.00 2.20 0.00 0.00 35.95 37.98 3hlp h PHE 279 CO 0.00 0.08 1.10 1.28 -0.60 0.00 0.00 178.31 180.17 3hlp n LEU 280 N -3.20 7.07 -4.71 1.54 4.77 -0.63 -4.44 117.00 117.39 3hlp n LEU 280 Ca 0.01 -4.43 -0.42 0.00 -0.03 0.00 0.00 56.01 51.14 3hlp n LEU 280 Cb 0.38 -1.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.18 3hlp n LEU 280 CO 0.30 1.85 1.09 -0.22 -1.33 0.00 0.00 177.39 179.09 3hlp s LEU 281 N -2.36 4.36 0.52 2.23 2.96 -1.25 -4.84 118.68 120.30 3hlp s LEU 281 Ca 0.56 2.33 -0.23 0.00 -0.22 0.00 0.00 54.13 56.57 3hlp s LEU 281 Cb 0.32 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 43.36 3hlp s LEU 281 CO -0.19 -0.68 1.34 -2.65 -1.32 0.00 0.00 176.35 172.85 3hlp n PRO 282 N 4.19 1.76 -0.03 0.98 -0.02 -1.26 -4.88 135.00 135.74 3hlp n PRO 282 Ca 0.12 0.64 0.18 0.00 -2.02 0.00 0.00 63.50 62.42 3hlp n PRO 282 Cb 0.42 -2.54 0.64 0.00 -0.02 0.00 0.00 33.50 32.01 3hlp n PRO 282 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hlp h ALA 283 N 1.58 2.38 0.00 3.55 0.00 -1.92 -0.75 119.26 124.11 3hlp h ALA 283 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3hlp h ALA 283 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3hlp h ALA 283 CO 0.58 -0.54 0.00 -1.13 0.00 0.00 0.00 179.25 178.16 3hlp n SER 284 N -4.41 0.39 -0.67 0.00 3.41 -1.26 -1.46 113.62 109.62 3hlp n SER 284 Ca 0.10 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.48 3hlp n SER 284 Cb 0.56 -0.71 0.07 0.00 -0.26 0.00 0.00 64.21 63.86 3hlp n SER 284 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hlp n GLN 285 N -1.99 1.65 0.31 4.33 6.02 -0.29 -4.59 117.38 122.82 3hlp n GLN 285 Ca 0.00 -1.34 -0.17 0.00 -0.01 0.00 0.00 57.00 55.48 3hlp n GLN 285 Cb 0.08 -1.47 -0.08 0.00 1.02 0.00 0.00 30.24 29.78 3hlp n GLN 285 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3hlp h ILE 286 N 3.28 0.27 -0.06 5.09 2.04 -1.36 -0.33 117.51 126.44 3hlp h ILE 286 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3hlp h ILE 286 Cb 0.84 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3hlp h ILE 286 CO 0.00 0.00 0.02 0.40 0.00 0.00 0.00 178.15 178.57 3hlp h ILE 287 N -0.86 1.18 -0.97 -0.67 2.04 -1.79 0.06 117.51 116.49 3hlp h ILE 287 Ca -0.06 -0.53 0.05 0.00 1.00 0.00 0.00 64.86 65.32 3hlp h ILE 287 Cb 0.71 1.42 -0.06 0.00 -0.74 0.00 0.00 36.82 38.15 3hlp h ILE 287 CO 0.05 0.15 0.64 -0.65 0.00 0.00 0.00 178.15 178.33 3hlp h PRO 288 N -0.10 1.15 -0.26 2.37 0.11 -1.82 0.23 132.00 133.68 3hlp h PRO 288 Ca 0.02 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 3hlp h PRO 288 Cb 0.22 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 3hlp h PRO 288 CO -0.00 0.76 0.12 1.15 -0.21 0.00 0.00 178.00 179.82 3hlp h THR 289 N 1.19 1.16 -0.57 -1.15 2.02 -0.82 -2.22 112.91 112.53 3hlp h THR 289 Ca 0.40 -0.48 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 3hlp h THR 289 Cb 0.08 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 3hlp h THR 289 CO -0.14 0.16 0.27 0.00 0.37 0.00 0.00 175.52 176.19 3hlp h ALA 290 N 0.97 0.73 -0.02 6.16 0.00 -0.43 -1.17 119.26 125.49 3hlp h ALA 290 Ca 0.09 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hlp h ALA 290 Cb 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3hlp h ALA 290 CO -0.01 0.29 -0.02 1.96 0.00 0.00 0.00 179.25 181.47 3hlp h GLN 291 N 0.77 -0.02 -0.40 0.00 4.20 -0.86 0.20 115.11 118.99 3hlp h GLN 291 Ca 0.19 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.77 3hlp h GLN 291 Cb 0.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3hlp h GLN 291 CO -0.03 -0.01 -0.31 1.05 -0.67 0.00 0.00 178.83 178.86 3hlp h GLU 292 N -0.02 0.89 -0.75 1.46 4.11 -1.31 -2.82 114.58 116.15 3hlp h GLU 292 Ca 0.02 -0.42 -0.05 0.00 0.07 0.00 0.00 59.36 58.97 3hlp h GLU 292 Cb 0.04 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3hlp h GLU 292 CO -0.03 1.07 0.26 1.15 0.07 0.00 0.00 179.01 181.53 3hlp h THR 293 N 0.75 1.26 -0.81 -1.06 2.02 -1.04 -1.65 112.91 112.39 3hlp h THR 293 Ca 0.08 -0.87 0.10 0.00 0.77 0.00 0.00 66.41 66.49 3hlp h THR 293 Cb 0.87 0.42 -0.07 0.00 -1.74 0.00 0.00 68.15 67.63 3hlp h THR 293 CO 0.08 0.34 0.45 -0.25 0.37 0.00 0.00 175.52 176.52 3hlp h TRP 294 N 1.09 0.82 -0.90 3.16 -0.00 -0.78 0.46 115.95 119.80 3hlp h TRP 294 Ca 0.24 0.03 0.01 0.00 -0.00 0.00 0.00 58.89 59.17 3hlp h TRP 294 Cb 0.27 -0.25 -0.04 0.00 -0.00 0.00 0.00 29.16 29.14 3hlp h TRP 294 CO 0.02 0.33 0.60 -0.07 -0.00 0.00 0.00 178.44 179.32 3hlp h LEU 295 N 0.76 1.03 -0.30 0.65 3.38 -1.07 0.24 115.31 120.01 3hlp h LEU 295 Ca 0.39 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.30 3hlp h LEU 295 Cb 0.37 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3hlp h LEU 295 CO -0.25 0.75 0.06 1.23 0.09 0.00 0.00 178.44 180.32 3hlp h GLY 296 N 1.22 0.53 0.94 0.83 0.00 -0.91 -2.08 103.07 103.61 3hlp h GLY 296 Ca 0.33 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 3hlp h GLY 296 CO -0.07 0.32 0.09 -2.08 0.00 0.00 0.00 176.54 174.79 3hlp h VAL 297 N 0.33 1.24 -0.90 4.60 2.07 -0.54 -2.36 116.25 120.69 3hlp h VAL 297 Ca 0.09 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 3hlp h VAL 297 Cb 0.31 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 3hlp h VAL 297 CO 0.00 0.29 0.55 0.25 0.02 0.00 0.00 177.57 178.68 3hlp h LEU 298 N 0.53 1.07 -0.48 2.57 5.85 -0.53 -0.73 115.31 123.59 3hlp h LEU 298 Ca 0.13 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3hlp h LEU 298 Cb 0.34 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3hlp h LEU 298 CO 0.00 0.81 0.29 0.74 -0.34 0.00 0.00 178.44 179.95 3hlp h THR 299 N 1.23 1.05 -0.32 1.05 2.02 -1.11 0.96 112.91 117.79 3hlp h THR 299 Ca 0.32 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 3hlp h THR 299 Cb -0.06 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 3hlp h THR 299 CO -0.06 0.10 0.20 0.40 0.37 0.00 0.00 175.52 176.53 3hlp h ILE 300 N 0.57 1.10 -1.00 3.11 2.04 -0.88 -2.39 117.51 120.07 3hlp h ILE 300 Ca 0.19 -0.23 0.09 0.00 1.00 0.00 0.00 64.86 65.91 3hlp h ILE 300 Cb 0.02 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 36.71 3hlp h ILE 300 CO -0.09 0.10 0.63 0.24 0.00 0.00 0.00 178.15 179.04 3hlp h MET 301 N 0.42 1.05 -0.91 2.37 2.86 -0.66 -1.16 114.93 118.90 3hlp h MET 301 Ca 0.11 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3hlp h MET 301 Cb -0.01 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 31.37 3hlp h MET 301 CO -0.02 0.70 0.56 0.93 1.06 0.00 0.00 176.91 180.14 3hlp h GLU 302 N 1.09 1.22 -0.17 1.72 5.08 -0.52 -0.12 114.58 122.88 3hlp h GLU 302 Ca 0.46 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.60 3hlp h GLU 302 Cb 0.31 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3hlp h GLU 302 CO -0.21 0.84 -0.42 0.45 -1.00 0.00 0.00 179.01 178.66 3hlp h HIS 303 N 1.25 0.48 -0.13 4.33 3.86 -0.80 -2.64 115.15 121.49 3hlp h HIS 303 Ca 0.33 -0.14 -0.10 0.00 -1.16 0.00 0.00 60.37 59.30 3hlp h HIS 303 Cb -0.08 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 3hlp h HIS 303 CO 0.00 0.76 -0.36 1.15 0.86 0.00 0.00 177.93 180.34 3hlp h THR 304 N 0.33 1.29 0.00 2.45 2.02 -0.57 -3.52 112.91 114.92 3hlp h THR 304 Ca 0.03 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 65.79 3hlp h THR 304 Cb 0.89 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 3hlp h THR 304 CO 0.07 0.43 0.00 1.33 0.37 0.00 0.00 175.52 177.72