#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pmg s LYS 2 N 0.00 3.98 -0.19 5.55 -2.85 -1.26 -0.01 119.74 124.96 3pmg s LYS 2 Ca 0.00 0.60 -0.03 0.00 -1.00 0.00 0.00 55.97 55.54 3pmg s LYS 2 Cb 0.00 -2.51 -0.02 0.00 -2.06 0.00 0.00 37.83 33.25 3pmg s LYS 2 CO 0.00 0.21 -0.06 0.42 0.10 0.00 0.00 175.35 176.02 3pmg s ILE 3 N -1.92 3.48 0.14 3.79 1.01 -1.26 -4.12 121.20 122.32 3pmg s ILE 3 Ca 0.52 -0.48 0.09 0.00 0.00 0.00 0.00 60.65 60.78 3pmg s ILE 3 Cb -0.11 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 3pmg s ILE 3 CO 0.18 0.46 -0.22 0.54 0.00 0.00 0.00 174.94 175.90 3pmg s VAL 4 N 0.95 1.95 -0.13 2.92 0.11 0.44 -4.97 120.40 121.67 3pmg s VAL 4 Ca -0.00 -1.77 -0.06 0.00 -2.93 0.00 0.00 61.98 57.21 3pmg s VAL 4 Cb -0.15 -1.81 -0.04 0.00 -1.53 0.00 0.00 36.38 32.85 3pmg s VAL 4 CO 0.01 -0.12 0.09 -0.89 -3.33 0.00 0.00 175.10 170.87 3pmg s THR 5 N -1.48 5.11 -0.24 5.04 2.01 -1.26 -0.92 115.64 123.90 3pmg s THR 5 Ca 0.13 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.22 3pmg s THR 5 Cb -0.08 -3.24 0.05 0.00 0.01 0.00 0.00 72.50 69.24 3pmg s THR 5 CO 0.06 0.56 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.73 3pmg s VAL 6 N -0.56 2.12 0.30 3.82 1.01 -0.03 -4.98 120.40 122.08 3pmg s VAL 6 Ca 0.12 -1.43 -0.29 0.00 0.00 0.00 0.00 61.98 60.37 3pmg s VAL 6 Cb -0.12 -2.15 -0.10 0.00 0.00 0.00 0.00 36.38 34.01 3pmg s VAL 6 CO 0.02 0.13 1.26 -0.54 0.00 0.00 0.00 175.10 175.97 3pmg s LYS 7 N 1.16 4.42 0.31 2.72 -0.14 -1.26 -1.46 119.74 125.49 3pmg s LYS 7 Ca -0.05 2.10 0.04 0.00 -1.36 0.00 0.00 55.97 56.70 3pmg s LYS 7 Cb -0.18 -3.12 -0.02 0.00 -1.68 0.00 0.00 37.83 32.83 3pmg s LYS 7 CO -0.07 -0.11 0.30 -0.08 -0.76 0.00 0.00 175.35 174.62 3pmg s THR 8 N -0.93 0.00 -0.03 2.17 -1.32 0.79 -4.91 115.64 111.41 3pmg s THR 8 Ca 0.49 -1.91 0.05 0.00 -1.21 0.00 0.00 61.69 59.11 3pmg s THR 8 Cb -0.38 -2.52 -0.01 0.00 -1.51 0.00 0.00 72.50 68.08 3pmg s THR 8 CO 0.48 0.00 -0.17 -0.54 -2.21 0.00 0.00 174.62 172.18 3pmg s LYS 9 N -3.48 1.67 0.44 7.08 1.02 -1.26 -4.45 119.74 120.76 3pmg s LYS 9 Ca 0.38 -0.61 -0.25 0.00 0.02 0.00 0.00 55.97 55.50 3pmg s LYS 9 Cb 0.02 -1.50 -0.08 0.00 -0.52 0.00 0.00 37.83 35.76 3pmg s LYS 9 CO 0.24 0.29 1.40 0.00 -0.92 0.00 0.00 175.35 176.36 3pmg s ALA 10 N -0.10 3.24 0.32 5.17 0.00 -1.19 -5.02 121.76 124.18 3pmg s ALA 10 Ca -0.00 1.42 -0.04 0.00 0.00 0.00 0.00 51.96 53.34 3pmg s ALA 10 Cb -0.10 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 3pmg s ALA 10 CO 0.01 -1.13 0.57 0.71 0.00 0.00 0.00 175.76 175.92 3pmg s TYR 11 N -1.21 3.49 -0.86 0.00 1.51 -1.25 -5.03 117.35 113.99 3pmg s TYR 11 Ca 0.60 0.58 0.23 0.00 -1.01 0.00 0.00 57.07 57.47 3pmg s TYR 11 Cb -0.43 -2.06 0.11 0.00 -0.11 0.00 0.00 41.96 39.47 3pmg s TYR 11 CO 0.55 0.13 1.11 -0.35 -1.11 0.00 0.00 175.55 175.87 3pmg n PRO 12 N -1.24 0.10 -0.27 -1.71 -0.04 -1.26 -4.34 135.00 126.24 3pmg n PRO 12 Ca -0.02 -0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.50 3pmg n PRO 12 Cb 0.55 -1.53 0.19 0.00 -0.04 0.00 0.00 33.50 32.66 3pmg n PRO 12 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3pmg n ASP 13 N -1.66 3.24 -3.29 3.54 5.75 -1.26 -4.86 116.55 118.01 3pmg n ASP 13 Ca 0.04 -2.41 -0.38 0.00 -0.01 0.00 0.00 54.79 52.03 3pmg n ASP 13 Cb 0.37 -0.34 -0.03 0.00 -1.03 0.00 0.00 41.12 40.08 3pmg n ASP 13 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pmg n GLN 14 N 0.05 3.77 -3.45 0.11 6.02 -1.26 -4.89 117.38 117.73 3pmg n GLN 14 Ca 0.15 -2.33 -0.41 0.00 -0.01 0.00 0.00 57.00 54.40 3pmg n GLN 14 Cb 0.60 -2.75 -0.10 0.00 1.02 0.00 0.00 30.24 29.01 3pmg n GLN 14 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3pmg s LYS 15 N 1.68 3.49 0.28 -1.09 2.20 -1.26 -4.47 119.74 120.57 3pmg s LYS 15 Ca 0.68 -0.54 -0.29 0.00 -0.36 0.00 0.00 55.97 55.45 3pmg s LYS 15 Cb 0.19 -3.82 -0.10 0.00 -1.51 0.00 0.00 37.83 32.59 3pmg s LYS 15 CO -0.06 -0.52 1.19 -2.14 -0.36 0.00 0.00 175.35 173.45 3pmg s PRO 16 N 1.90 4.52 0.00 4.03 0.02 -1.26 -4.77 135.00 139.45 3pmg s PRO 16 Ca 0.09 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.06 3pmg s PRO 16 Cb -0.17 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.19 3pmg s PRO 16 CO 0.11 0.03 0.00 0.41 -0.33 0.00 0.00 177.00 177.22 3pmg n GLY 17 N 1.29 0.95 0.07 0.52 0.00 -0.06 -4.86 105.19 103.10 3pmg n GLY 17 Ca 0.00 -1.89 0.11 0.00 0.00 0.00 0.00 46.02 44.25 3pmg n GLY 17 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3pmg n THR 18 N 0.00 0.72 -1.53 2.61 -2.24 -1.26 -2.24 114.28 110.34 3pmg n THR 18 Ca 0.00 0.10 -0.17 0.00 -2.27 0.00 0.00 64.05 61.71 3pmg n THR 18 Cb 0.00 -0.92 0.14 0.00 -2.10 0.00 0.00 70.33 67.44 3pmg n THR 18 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3pmg n SER 19 N -1.95 4.18 -0.41 3.42 7.64 -1.26 -4.91 113.62 120.33 3pmg n SER 19 Ca 0.04 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.15 3pmg n SER 19 Cb 0.27 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 3pmg n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3pmg n GLY 20 N -1.00 -0.64 3.56 0.23 0.00 -0.95 -4.62 105.19 101.76 3pmg n GLY 20 Ca 0.45 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 3pmg n GLY 20 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3pmg s LEU 21 N 0.00 3.90 -0.25 0.99 2.96 -0.67 -0.89 118.68 124.72 3pmg s LEU 21 Ca 0.00 0.01 -0.09 0.00 -0.22 0.00 0.00 54.13 53.83 3pmg s LEU 21 Cb 0.00 -3.12 -0.04 0.00 0.50 0.00 0.00 46.19 43.54 3pmg s LEU 21 CO 0.00 -1.20 0.12 -0.60 -1.32 0.00 0.00 176.35 173.34 3pmg s ARG 22 N 4.10 3.83 0.30 1.98 3.52 -1.26 -1.87 118.95 129.54 3pmg s ARG 22 Ca 0.37 -0.39 0.04 0.00 -0.13 0.00 0.00 55.73 55.62 3pmg s ARG 22 Cb -0.10 -3.44 -0.03 0.00 -1.56 0.00 0.00 34.95 29.82 3pmg s ARG 22 CO 0.25 -0.10 0.20 0.15 -0.81 0.00 0.00 175.30 174.98 3pmg s LYS 23 N 1.45 1.59 0.28 5.12 -0.14 -0.70 -4.98 119.74 122.36 3pmg s LYS 23 Ca 0.06 -1.91 -0.29 0.00 -1.36 0.00 0.00 55.97 52.47 3pmg s LYS 23 Cb -0.15 0.11 -0.10 0.00 -1.68 0.00 0.00 37.83 36.02 3pmg s LYS 23 CO 0.06 -0.51 1.11 1.03 -0.76 0.00 0.00 175.35 176.28 3pmg s ARG 24 N -3.74 4.62 0.61 1.68 0.52 -1.26 -0.91 118.95 120.47 3pmg s ARG 24 Ca 0.38 1.83 0.29 0.00 -0.52 0.00 0.00 55.73 57.70 3pmg s ARG 24 Cb 0.04 -3.18 1.54 0.00 0.52 0.00 0.00 34.95 33.86 3pmg s ARG 24 CO 0.20 0.18 1.92 -0.24 0.02 0.00 0.00 175.30 177.38 3pmg h VAL 25 N 3.12 0.26 0.86 3.52 3.04 -0.69 -2.03 116.25 124.33 3pmg h VAL 25 Ca -0.47 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.18 3pmg h VAL 25 Cb 1.21 0.65 -0.00 0.00 -2.01 0.00 0.00 31.29 31.15 3pmg h VAL 25 CO 0.67 0.00 -0.50 0.50 -1.01 0.00 0.00 177.57 177.23 3pmg h LYS 26 N 0.00 -1.22 -0.64 4.17 1.63 -1.82 -0.08 116.57 118.61 3pmg h LYS 26 Ca 0.13 0.08 0.14 0.00 -0.85 0.00 0.00 60.65 60.15 3pmg h LYS 26 Cb 0.94 0.28 -0.11 0.00 -0.60 0.00 0.00 32.23 32.74 3pmg h LYS 26 CO -0.00 -0.81 -0.03 0.28 -3.45 0.00 0.00 179.45 175.44 3pmg h VAL 27 N -1.26 0.44 0.70 2.00 2.07 -1.74 0.48 116.25 118.93 3pmg h VAL 27 Ca -0.12 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 3pmg h VAL 27 Cb 1.00 0.34 0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3pmg h VAL 27 CO 0.14 0.02 -0.34 -0.26 0.02 0.00 0.00 177.57 177.15 3pmg h PHE 28 N 0.09 -0.87 0.00 1.57 0.04 -1.50 -0.07 116.94 116.20 3pmg h PHE 28 Ca 0.33 -0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.99 3pmg h PHE 28 Cb 0.55 0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.97 3pmg h PHE 28 CO -0.40 -0.52 -0.47 -0.56 -0.60 0.00 0.00 178.31 175.76 3pmg h GLN 29 N -1.04 0.00 0.00 1.51 3.07 -0.90 -3.39 115.11 114.36 3pmg h GLN 29 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.64 3pmg h GLN 29 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.30 3pmg h GLN 29 CO 0.16 0.47 -1.02 0.43 0.09 0.00 0.00 178.83 178.95 3pmg n SER 30 N -3.52 1.23 -4.65 0.06 7.64 0.15 -4.90 113.62 109.63 3pmg n SER 30 Ca -0.00 -0.45 -0.42 0.00 1.01 0.00 0.00 58.87 59.01 3pmg n SER 30 Cb 0.58 1.26 -0.03 0.00 -1.01 0.00 0.00 64.21 65.01 3pmg n SER 30 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3pmg s SER 31 N -2.74 6.96 -0.44 6.43 0.01 -0.05 -4.93 113.70 118.94 3pmg s SER 31 Ca 0.01 1.18 -0.46 0.00 1.31 0.00 0.00 55.95 57.99 3pmg s SER 31 Cb 0.09 -2.49 -0.20 0.00 0.21 0.00 0.00 66.02 63.63 3pmg s SER 31 CO 0.52 -0.62 1.56 0.41 0.41 0.00 0.00 173.24 175.52 3pmg n THR 32 N 5.34 0.01 -1.43 1.44 -1.04 -1.26 -0.53 114.28 116.82 3pmg n THR 32 Ca 0.09 -0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.95 3pmg n THR 32 Cb 0.47 -0.49 -0.06 0.00 -1.82 0.00 0.00 70.33 68.42 3pmg n THR 32 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3pmg n ASN 33 N 3.84 -5.25 0.25 8.00 4.13 -1.26 -4.89 115.26 120.08 3pmg n ASN 33 Ca 0.30 0.37 -0.16 0.00 1.68 0.00 0.00 54.58 56.77 3pmg n ASN 33 Cb -0.04 -4.06 -0.08 0.00 -1.54 0.00 0.00 39.78 34.06 3pmg n ASN 33 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 3pmg h TYR 34 N 0.00 -0.55 0.41 3.10 3.20 -1.11 0.67 116.97 122.69 3pmg h TYR 34 Ca -0.30 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.53 3pmg h TYR 34 Cb 1.12 0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.58 3pmg h TYR 34 CO 0.51 -0.32 -0.20 0.00 -1.64 0.00 0.00 178.16 176.52 3pmg h ALA 35 N -0.10 -0.55 -0.93 1.82 0.00 -1.80 -2.21 119.26 115.49 3pmg h ALA 35 Ca -0.06 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.79 3pmg h ALA 35 Cb 0.48 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 3pmg h ALA 35 CO 0.10 -0.76 0.60 0.93 0.00 0.00 0.00 179.25 180.12 3pmg h GLU 36 N -0.66 0.93 -0.25 0.00 3.07 -1.92 0.18 114.58 115.92 3pmg h GLU 36 Ca -0.06 -0.06 -0.18 0.00 -0.50 0.00 0.00 59.36 58.57 3pmg h GLU 36 Cb 0.48 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.18 3pmg h GLU 36 CO 0.09 0.61 -0.54 -0.91 -1.40 0.00 0.00 179.01 176.87 3pmg h ASN 37 N 0.96 0.84 -0.11 1.42 4.21 -0.79 -0.33 115.58 121.77 3pmg h ASN 37 Ca 0.43 -0.45 -0.04 0.00 1.21 0.00 0.00 56.30 57.46 3pmg h ASN 37 Cb 0.38 -0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 37.33 3pmg h ASN 37 CO -0.19 1.21 -0.07 0.15 -1.29 0.00 0.00 177.43 177.25 3pmg h PHE 38 N 0.58 0.29 -0.33 1.19 3.57 -0.11 -1.02 116.94 121.11 3pmg h PHE 38 Ca 0.01 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.45 3pmg h PHE 38 Cb 1.12 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 3pmg h PHE 38 CO 0.06 0.61 0.21 0.82 -2.23 0.00 0.00 178.31 177.78 3pmg h ILE 39 N -0.12 1.07 -0.14 1.41 2.04 -0.89 -0.09 117.51 120.79 3pmg h ILE 39 Ca 0.02 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3pmg h ILE 39 Cb 0.54 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3pmg h ILE 39 CO 0.02 0.08 0.04 -0.61 0.00 0.00 0.00 178.15 177.68 3pmg h GLN 40 N 0.43 0.19 -0.34 2.37 5.75 -1.02 -1.95 115.11 120.54 3pmg h GLN 40 Ca 0.12 -0.02 -0.14 0.00 -0.15 0.00 0.00 58.65 58.46 3pmg h GLN 40 Cb -0.03 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 3pmg h GLN 40 CO -0.04 0.18 -0.36 0.77 -2.65 0.00 0.00 178.83 176.73 3pmg h SER 41 N 0.20 0.83 -0.11 -0.69 0.02 0.34 -1.72 113.55 112.42 3pmg h SER 41 Ca 0.05 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.64 3pmg h SER 41 Cb 0.07 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.37 3pmg h SER 41 CO -0.00 1.10 0.04 0.40 -1.14 0.00 0.00 176.83 177.23 3pmg h ILE 42 N 0.65 1.14 -0.31 3.27 2.04 -0.53 -2.99 117.51 120.77 3pmg h ILE 42 Ca 0.06 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 3pmg h ILE 42 Cb 0.91 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 3pmg h ILE 42 CO 0.08 0.13 0.03 0.40 0.00 0.00 0.00 178.15 178.79 3pmg h ILE 43 N 0.02 1.17 0.00 -0.67 2.04 -1.33 -0.25 117.51 118.50 3pmg h ILE 43 Ca 0.04 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 3pmg h ILE 43 Cb 0.16 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3pmg h ILE 43 CO -0.00 0.23 -0.00 0.28 0.00 0.00 0.00 178.15 178.66 3pmg h SER 44 N 0.46 0.00 0.77 1.72 0.02 -1.16 0.42 113.55 115.78 3pmg h SER 44 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3pmg h SER 44 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3pmg h SER 44 CO 0.00 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 176.05 3pmg n THR 45 N -3.12 0.81 -3.01 -2.27 -2.24 -0.10 -4.49 114.28 99.86 3pmg n THR 45 Ca -0.02 0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.54 3pmg n THR 45 Cb 0.12 -1.12 -0.05 0.00 -2.10 0.00 0.00 70.33 67.17 3pmg n THR 45 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3pmg s VAL 46 N -3.30 4.85 0.12 2.28 1.01 0.15 -5.01 120.40 120.49 3pmg s VAL 46 Ca 0.05 1.08 -0.31 0.00 0.00 0.00 0.00 61.98 62.79 3pmg s VAL 46 Cb 0.09 -4.09 -0.10 0.00 0.00 0.00 0.00 36.38 32.28 3pmg s VAL 46 CO 0.40 -0.20 1.85 -0.70 0.00 0.00 0.00 175.10 176.46 3pmg s GLU 47 N 2.82 4.13 0.11 2.72 2.12 -1.26 -4.88 118.70 124.46 3pmg s GLU 47 Ca 0.30 2.62 -0.06 0.00 0.36 0.00 0.00 54.97 58.18 3pmg s GLU 47 Cb -0.14 -3.64 0.14 0.00 0.26 0.00 0.00 34.13 30.74 3pmg s GLU 47 CO 0.12 -0.86 0.68 -2.30 -0.54 0.00 0.00 175.26 172.36 3pmg n PRO 48 N 5.84 -0.08 -0.07 4.30 -0.02 -1.26 0.30 135.00 144.00 3pmg n PRO 48 Ca 0.18 0.67 0.06 0.00 -2.02 0.00 0.00 63.50 62.39 3pmg n PRO 48 Cb 0.38 -1.00 0.41 0.00 -0.02 0.00 0.00 33.50 33.27 3pmg n PRO 48 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3pmg h ALA 49 N 0.69 1.74 -0.01 3.55 0.00 -2.00 -2.09 119.26 121.14 3pmg h ALA 49 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3pmg h ALA 49 Cb 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3pmg h ALA 49 CO -0.44 0.20 -0.00 1.04 0.00 0.00 0.00 179.25 180.05 3pmg n GLN 50 N -4.47 1.39 -0.02 0.00 6.02 0.15 -4.52 117.38 115.92 3pmg n GLN 50 Ca 0.06 -0.57 -0.17 0.00 -0.01 0.00 0.00 57.00 56.31 3pmg n GLN 50 Cb 0.15 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.86 3pmg n GLN 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3pmg h ARG 51 N 1.39 0.79 -0.78 -1.09 3.08 -1.40 -3.14 114.38 113.23 3pmg h ARG 51 Ca 0.00 -0.63 0.10 0.00 0.07 0.00 0.00 59.98 59.52 3pmg h ARG 51 Cb 0.30 0.13 -0.08 0.00 0.08 0.00 0.00 29.97 30.40 3pmg h ARG 51 CO 0.00 1.24 0.41 0.37 -1.07 0.00 0.00 179.97 180.92 3pmg h GLN 52 N 0.54 0.65 0.00 0.04 5.75 -1.75 -0.90 115.11 119.44 3pmg h GLN 52 Ca -0.05 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 3pmg h GLN 52 Cb 1.39 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.80 3pmg h GLN 52 CO 0.16 0.43 -0.27 0.39 -2.65 0.00 0.00 178.83 176.89 3pmg n GLU 53 N -4.82 0.14 -2.52 1.69 -0.58 -1.26 -3.27 120.64 110.02 3pmg n GLU 53 Ca 0.13 0.07 -0.35 0.00 -0.42 0.00 0.00 57.16 56.60 3pmg n GLU 53 Cb 0.30 -1.62 -0.03 0.00 -0.57 0.00 0.00 31.44 29.52 3pmg n GLU 53 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3pmg s ALA 54 N -3.07 2.92 -0.06 0.62 0.00 -0.45 -4.93 121.76 116.79 3pmg s ALA 54 Ca 0.11 0.65 0.03 0.00 0.00 0.00 0.00 51.96 52.75 3pmg s ALA 54 Cb 0.16 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 20.01 3pmg s ALA 54 CO 0.63 -0.32 -0.17 0.99 0.00 0.00 0.00 175.76 176.89 3pmg s THR 55 N -1.87 1.44 -0.01 0.00 2.01 -1.26 -2.79 115.64 113.15 3pmg s THR 55 Ca 0.65 -0.69 0.06 0.00 0.31 0.00 0.00 61.69 62.03 3pmg s THR 55 Cb -0.19 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 3pmg s THR 55 CO 0.23 0.42 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.61 3pmg s LEU 56 N 0.32 2.42 -0.03 4.42 1.43 -0.92 -0.79 118.68 125.53 3pmg s LEU 56 Ca -0.11 -0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 52.49 3pmg s LEU 56 Cb -0.14 -1.45 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 3pmg s LEU 56 CO 0.04 0.31 0.33 -0.69 0.23 0.00 0.00 176.35 176.56 3pmg s VAL 57 N -0.74 5.18 -0.02 -1.59 1.01 -1.06 -0.99 120.40 122.19 3pmg s VAL 57 Ca 0.12 0.62 0.03 0.00 0.00 0.00 0.00 61.98 62.75 3pmg s VAL 57 Cb -0.10 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.66 3pmg s VAL 57 CO 0.01 0.57 -0.11 -0.69 0.00 0.00 0.00 175.10 174.88 3pmg s VAL 58 N -1.09 0.93 0.00 2.92 1.01 -0.34 -1.03 120.40 122.80 3pmg s VAL 58 Ca 0.22 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.72 3pmg s VAL 58 Cb -0.15 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.44 3pmg s VAL 58 CO 0.11 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3pmg n GLY 59 N 2.98 1.02 2.06 4.51 0.00 -1.03 -3.43 105.19 111.30 3pmg n GLY 59 Ca -0.16 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 3pmg n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pmg n GLY 60 N -0.09 3.40 0.42 -0.02 0.00 -0.21 -1.44 105.19 107.25 3pmg n GLY 60 Ca 0.00 -1.88 0.03 0.00 0.00 0.00 0.00 46.02 44.17 3pmg n GLY 60 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3pmg n ASP 61 N -2.03 1.20 0.00 1.61 5.68 -0.78 -2.00 116.55 120.23 3pmg n ASP 61 Ca 0.02 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.29 3pmg n ASP 61 Cb 0.38 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 3pmg n ASP 61 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3pmg n GLY 62 N 0.77 2.15 3.70 6.12 0.00 -1.26 -3.74 105.19 112.93 3pmg n GLY 62 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3pmg n GLY 62 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3pmg n ARG 63 N -2.00 0.65 -1.46 1.61 1.85 -1.26 -3.99 116.66 112.06 3pmg n ARG 63 Ca 0.00 0.29 -0.41 0.00 -1.00 0.00 0.00 57.85 56.73 3pmg n ARG 63 Cb 0.00 -2.46 0.01 0.00 -1.05 0.00 0.00 32.46 28.96 3pmg n ARG 63 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3pmg n PHE 64 N -2.58 -0.51 -0.46 2.89 -0.00 0.16 -2.29 117.46 114.68 3pmg n PHE 64 Ca 0.15 0.58 0.00 0.00 -0.00 0.00 0.00 57.45 58.17 3pmg n PHE 64 Cb 0.49 -1.99 0.00 0.00 -0.00 0.00 0.00 39.48 37.98 3pmg n PHE 64 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.76 177.74 3pmg n TYR 65 N -0.96 0.00 -0.18 -5.13 9.36 -1.26 -4.68 117.16 114.31 3pmg n TYR 65 Ca 0.11 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.27 3pmg n TYR 65 Cb 0.41 -0.36 0.02 0.00 -0.63 0.00 0.00 39.34 38.78 3pmg n TYR 65 CO 0.00 0.00 0.00 1.98 0.22 0.00 0.00 176.86 179.06 3pmg h MET 66 N 1.83 0.71 -0.23 2.98 4.05 -1.79 -2.38 114.93 120.09 3pmg h MET 66 Ca 0.00 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 3pmg h MET 66 Cb 0.00 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.63 3pmg h MET 66 CO 0.00 0.48 0.15 0.87 0.23 0.00 0.00 176.91 178.64 3pmg h LYS 67 N 0.72 0.31 -0.49 0.39 1.57 -1.92 -1.09 116.57 116.06 3pmg h LYS 67 Ca 0.19 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.85 3pmg h LYS 67 Cb -0.07 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 3pmg h LYS 67 CO -0.04 0.21 -0.11 1.05 -0.57 0.00 0.00 179.45 179.99 3pmg h GLU 68 N 0.32 0.90 -0.23 3.15 9.09 -2.00 -1.16 114.58 124.66 3pmg h GLU 68 Ca 0.09 -0.32 -0.08 0.00 0.05 0.00 0.00 59.36 59.10 3pmg h GLU 68 Cb -0.04 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 26.98 3pmg h GLU 68 CO -0.02 0.96 -0.21 0.00 0.05 0.00 0.00 179.01 179.80 3pmg h ALA 69 N 1.06 1.23 -0.56 1.06 0.00 -1.16 -2.09 119.26 118.80 3pmg h ALA 69 Ca 0.13 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 3pmg h ALA 69 Cb 0.63 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3pmg h ALA 69 CO 0.04 0.50 0.02 0.82 0.00 0.00 0.00 179.25 180.63 3pmg h ILE 70 N 0.37 1.26 -0.45 0.00 2.04 -0.35 -1.78 117.51 118.59 3pmg h ILE 70 Ca 0.06 -1.10 -0.04 0.00 1.00 0.00 0.00 64.86 64.79 3pmg h ILE 70 Cb 0.57 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3pmg h ILE 70 CO 0.04 0.39 0.12 1.56 0.00 0.00 0.00 178.15 180.26 3pmg h GLN 71 N 0.86 0.66 -0.53 2.37 1.08 -1.02 -0.65 115.11 117.89 3pmg h GLN 71 Ca 0.16 -0.11 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 3pmg h GLN 71 Cb 0.52 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 3pmg h GLN 71 CO 0.03 0.60 0.21 -0.07 -0.95 0.00 0.00 178.83 178.64 3pmg h LEU 72 N 0.65 0.73 -0.66 1.46 3.38 -0.74 -1.94 115.31 118.19 3pmg h LEU 72 Ca 0.15 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3pmg h LEU 72 Cb 0.22 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3pmg h LEU 72 CO -0.01 0.71 0.41 0.40 0.09 0.00 0.00 178.44 180.04 3pmg h ILE 73 N 0.72 1.19 0.93 1.22 2.04 -0.49 -1.48 117.51 121.63 3pmg h ILE 73 Ca 0.18 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 3pmg h ILE 73 Cb 0.21 0.26 0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3pmg h ILE 73 CO -0.01 0.19 -0.46 0.58 0.00 0.00 0.00 178.15 178.44 3pmg h VAL 74 N 0.90 0.06 -0.79 1.67 2.07 -0.99 0.49 116.25 119.65 3pmg h VAL 74 Ca 0.24 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.83 3pmg h VAL 74 Cb -0.04 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 29.73 3pmg h VAL 74 CO -0.05 0.00 0.52 0.03 0.02 0.00 0.00 177.57 178.09 3pmg h ARG 75 N -1.27 0.83 0.19 1.57 3.08 -1.26 -0.58 114.38 116.94 3pmg h ARG 75 Ca -0.13 -0.05 -0.26 0.00 0.07 0.00 0.00 59.98 59.62 3pmg h ARG 75 Cb 0.98 -0.19 0.03 0.00 0.08 0.00 0.00 29.97 30.87 3pmg h ARG 75 CO 0.20 0.55 -1.12 0.82 -1.07 0.00 0.00 179.97 179.34 3pmg h ILE 76 N 0.85 1.40 -0.75 2.04 2.04 -1.18 -2.11 117.51 119.79 3pmg h ILE 76 Ca 0.34 -2.60 0.02 0.00 1.00 0.00 0.00 64.86 63.63 3pmg h ILE 76 Cb 0.25 3.11 -0.04 0.00 -0.74 0.00 0.00 36.82 39.39 3pmg h ILE 76 CO -0.12 0.76 0.49 0.00 0.00 0.00 0.00 178.15 179.27 3pmg h ALA 77 N 0.12 0.97 0.80 1.87 0.00 0.21 -1.61 119.26 121.63 3pmg h ALA 77 Ca -0.19 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3pmg h ALA 77 Cb 1.88 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 19.41 3pmg h ALA 77 CO 0.21 0.32 -0.39 0.00 0.00 0.00 0.00 179.25 179.39 3pmg h ALA 78 N 1.30 -1.08 -0.76 0.00 0.00 -1.21 -1.86 119.26 115.65 3pmg h ALA 78 Ca 0.29 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 55.12 3pmg h ALA 78 Cb -0.04 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 3pmg h ALA 78 CO -0.09 -1.10 0.51 0.00 0.00 0.00 0.00 179.25 178.57 3pmg h ALA 79 N -0.90 2.18 0.00 0.00 0.00 -1.41 -0.92 119.26 118.22 3pmg h ALA 79 Ca -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3pmg h ALA 79 Cb 0.83 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3pmg h ALA 79 CO 0.18 -0.39 0.00 0.09 0.00 0.00 0.00 179.25 179.13 3pmg n ASN 80 N -4.47 0.00 0.00 0.00 3.02 -0.61 -4.89 115.26 108.31 3pmg n ASN 80 Ca 0.15 -1.21 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 3pmg n ASN 80 Cb 0.57 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 3pmg n ASN 80 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pmg n GLY 81 N 0.53 0.52 3.68 7.41 0.00 -0.35 -4.99 105.19 111.99 3pmg n GLY 81 Ca 0.11 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3pmg n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pmg s ILE 82 N -2.00 3.81 0.20 -0.61 -1.09 -0.74 -2.77 121.20 118.00 3pmg s ILE 82 Ca 0.00 1.12 -0.09 0.00 -2.23 0.00 0.00 60.65 59.45 3pmg s ILE 82 Cb 0.00 -3.72 0.11 0.00 -1.58 0.00 0.00 42.46 37.27 3pmg s ILE 82 CO 0.00 -0.04 1.73 1.23 -1.23 0.00 0.00 174.94 176.63 3pmg h GLY 83 N 8.91 1.18 -4.46 6.18 0.00 -1.25 -3.42 103.07 110.21 3pmg h GLY 83 Ca -0.36 -0.70 -0.12 0.00 0.00 0.00 0.00 47.33 46.15 3pmg h GLY 83 CO 0.92 0.66 -0.34 -1.60 0.00 0.00 0.00 176.54 176.18 3pmg s ARG 84 N -5.40 0.64 -0.07 4.80 3.52 -1.12 -0.79 118.95 120.53 3pmg s ARG 84 Ca -0.12 -0.32 0.02 0.00 -0.13 0.00 0.00 55.73 55.18 3pmg s ARG 84 Cb 0.14 0.28 0.01 0.00 -1.56 0.00 0.00 34.95 33.83 3pmg s ARG 84 CO 0.84 -0.17 -0.11 -0.51 -0.81 0.00 0.00 175.30 174.53 3pmg s LEU 85 N -1.48 1.60 -0.29 -0.88 1.43 -0.75 -2.17 118.68 116.13 3pmg s LEU 85 Ca -0.12 -0.29 -0.08 0.00 -1.03 0.00 0.00 54.13 52.61 3pmg s LEU 85 Cb -0.05 -0.80 -0.00 0.00 0.03 0.00 0.00 46.19 45.36 3pmg s LEU 85 CO 0.02 0.02 0.10 -0.69 0.23 0.00 0.00 176.35 176.03 3pmg s VAL 86 N 0.75 4.25 -0.05 -1.59 1.01 -0.16 -0.52 120.40 124.09 3pmg s VAL 86 Ca -0.13 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.40 3pmg s VAL 86 Cb -0.15 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 3pmg s VAL 86 CO 0.03 0.12 -0.23 -0.63 0.00 0.00 0.00 175.10 174.39 3pmg s ILE 87 N 1.56 2.26 0.57 2.22 1.01 -0.77 -1.20 121.20 126.84 3pmg s ILE 87 Ca 0.04 -1.00 -0.18 0.00 0.00 0.00 0.00 60.65 59.51 3pmg s ILE 87 Cb -0.17 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 3pmg s ILE 87 CO 0.04 0.57 1.10 -0.83 0.00 0.00 0.00 174.94 175.82 3pmg s GLY 88 N -0.31 2.43 0.26 6.18 0.00 -1.22 -1.45 107.32 113.20 3pmg s GLY 88 Ca 0.01 0.67 -0.31 0.00 0.00 0.00 0.00 44.72 45.09 3pmg s GLY 88 CO 0.02 1.01 1.35 -0.18 0.00 0.00 0.00 173.10 175.30 3pmg n GLN 89 N -1.63 1.95 -1.00 2.90 7.27 -0.18 -1.01 117.38 125.68 3pmg n GLN 89 Ca 0.11 0.69 0.00 0.00 0.07 0.00 0.00 57.00 57.87 3pmg n GLN 89 Cb 0.52 -2.31 0.00 0.00 2.41 0.00 0.00 30.24 30.86 3pmg n GLN 89 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3pmg n ASN 90 N 1.85 -5.56 0.00 1.69 3.02 0.48 -1.91 115.26 114.84 3pmg n ASN 90 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 3pmg n ASN 90 Cb 0.32 -3.07 0.00 0.00 -0.61 0.00 0.00 39.78 36.42 3pmg n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pmg n GLY 91 N 0.43 1.80 3.65 7.41 0.00 -0.18 -4.94 105.19 113.37 3pmg n GLY 91 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3pmg n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pmg s ILE 92 N -2.37 4.12 -0.23 -0.61 -1.09 -0.80 -1.04 121.20 119.18 3pmg s ILE 92 Ca 0.00 1.34 -0.05 0.00 -2.23 0.00 0.00 60.65 59.71 3pmg s ILE 92 Cb 0.00 -3.93 0.11 0.00 -1.58 0.00 0.00 42.46 37.06 3pmg s ILE 92 CO 0.00 -0.20 0.42 -0.22 -1.23 0.00 0.00 174.94 173.72 3pmg s LEU 93 N 3.85 -0.71 0.88 2.97 2.96 -0.84 -4.16 118.68 123.63 3pmg s LEU 93 Ca 0.59 0.72 -0.11 0.00 -0.22 0.00 0.00 54.13 55.11 3pmg s LEU 93 Cb -0.23 1.36 0.12 0.00 0.50 0.00 0.00 46.19 47.94 3pmg s LEU 93 CO 0.19 -0.26 1.11 -0.94 -1.32 0.00 0.00 176.35 175.14 3pmg s SER 94 N 2.62 3.37 0.29 3.68 1.04 -1.26 -3.98 113.70 119.45 3pmg s SER 94 Ca 0.05 1.96 -0.01 0.00 0.48 0.00 0.00 55.95 58.43 3pmg s SER 94 Cb -0.13 -2.50 0.43 0.00 0.10 0.00 0.00 66.02 63.91 3pmg s SER 94 CO -0.15 -2.78 1.85 0.74 0.98 0.00 0.00 173.24 173.88 3pmg h THR 95 N -1.65 1.22 -0.58 2.02 2.02 -1.40 -0.84 112.91 113.70 3pmg h THR 95 Ca -0.45 -0.76 -0.07 0.00 0.77 0.00 0.00 66.41 65.90 3pmg h THR 95 Cb 1.26 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 3pmg h THR 95 CO 0.47 0.29 0.09 -0.65 0.37 0.00 0.00 175.52 176.08 3pmg h PRO 96 N 0.80 0.96 -0.26 6.66 0.11 -1.80 -1.56 132.00 136.91 3pmg h PRO 96 Ca 0.18 -0.26 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 3pmg h PRO 96 Cb 0.26 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 3pmg h PRO 96 CO -0.01 0.92 0.15 0.00 -0.21 0.00 0.00 178.00 178.85 3pmg h ALA 97 N 1.01 0.33 -1.01 -0.75 0.00 -1.73 -1.26 119.26 115.85 3pmg h ALA 97 Ca 0.18 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3pmg h ALA 97 Cb 0.42 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 3pmg h ALA 97 CO 0.01 -0.16 0.67 0.28 0.00 0.00 0.00 179.25 180.05 3pmg h VAL 98 N 0.32 1.23 -0.39 0.00 2.07 -0.97 0.64 116.25 119.15 3pmg h VAL 98 Ca 0.09 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.16 3pmg h VAL 98 Cb 0.03 -0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 29.55 3pmg h VAL 98 CO -0.02 0.24 0.25 -1.28 0.02 0.00 0.00 177.57 176.79 3pmg h SER 99 N 1.34 0.44 0.32 0.57 0.87 -0.94 -1.43 113.55 114.73 3pmg h SER 99 Ca 0.38 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.93 3pmg h SER 99 Cb -0.11 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 3pmg h SER 99 CO -0.09 0.32 -0.27 0.00 -0.53 0.00 0.00 176.83 176.25 3pmg h ILE 101 N -0.60 1.26 -0.15 0.00 2.04 -0.81 0.14 117.51 119.37 3pmg h ILE 101 Ca -0.02 -1.06 0.04 0.00 1.00 0.00 0.00 64.86 64.81 3pmg h ILE 101 Cb 0.53 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 3pmg h ILE 101 CO -0.02 0.39 -0.08 0.40 0.00 0.00 0.00 178.15 178.83 3pmg h ILE 102 N 0.93 0.74 -0.57 -0.67 2.04 -1.02 -0.75 117.51 118.23 3pmg h ILE 102 Ca 0.18 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.96 3pmg h ILE 102 Cb 0.48 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3pmg h ILE 102 CO 0.02 0.00 0.05 0.03 0.00 0.00 0.00 178.15 178.25 3pmg h ARG 103 N -0.07 0.97 0.00 2.37 3.08 -1.08 -0.72 114.38 118.93 3pmg h ARG 103 Ca 0.09 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 3pmg h ARG 103 Cb 0.20 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3pmg h ARG 103 CO -0.20 0.94 -0.00 -0.22 -1.07 0.00 0.00 179.97 179.42 3pmg h LYS 104 N 0.86 -0.00 -0.62 0.04 3.64 -0.53 -3.19 116.57 116.76 3pmg h LYS 104 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3pmg h LYS 104 Cb 0.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3pmg h LYS 104 CO 0.02 0.19 0.00 0.44 -2.27 0.00 0.00 179.45 177.83 3pmg n ILE 105 N -5.00 0.94 -3.69 2.00 -5.35 -0.30 -4.93 119.36 103.03 3pmg n ILE 105 Ca -0.08 -0.85 -0.22 0.00 -0.27 0.00 0.00 62.75 61.34 3pmg n ILE 105 Cb 0.12 0.35 0.03 0.00 -1.74 0.00 0.00 39.64 38.40 3pmg n ILE 105 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3pmg n LYS 106 N 1.23 -4.38 -1.54 6.28 4.76 -0.38 -4.99 118.16 119.14 3pmg n LYS 106 Ca 0.21 0.61 -0.31 0.00 -2.87 0.00 0.00 58.31 55.95 3pmg n LYS 106 Cb 0.56 -5.09 0.06 0.00 -1.84 0.00 0.00 35.03 28.72 3pmg n LYS 106 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3pmg s ALA 107 N -3.65 2.60 -0.09 7.82 0.00 -0.61 -4.85 121.76 122.97 3pmg s ALA 107 Ca 0.06 0.06 0.30 0.00 0.00 0.00 0.00 51.96 52.39 3pmg s ALA 107 Cb -0.02 -3.17 1.11 0.00 0.00 0.00 0.00 23.12 21.04 3pmg s ALA 107 CO 0.82 -1.32 1.88 0.97 0.00 0.00 0.00 175.76 178.10 3pmg h ILE 108 N -0.79 0.00 0.00 0.00 2.10 -1.31 -3.39 117.51 114.12 3pmg h ILE 108 Ca -0.44 -0.58 0.00 0.00 1.08 0.00 0.00 64.86 64.92 3pmg h ILE 108 Cb 1.22 1.55 0.00 0.00 -1.09 0.00 0.00 36.82 38.50 3pmg h ILE 108 CO 0.57 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 178.25 3pmg n GLY 109 N 0.28 -1.12 3.22 8.18 0.00 -1.25 -1.55 105.19 112.95 3pmg n GLY 109 Ca 0.02 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 3pmg n GLY 109 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3pmg s GLY 110 N 0.00 -0.10 -0.34 -0.02 0.00 -0.31 -2.55 107.32 104.00 3pmg s GLY 110 Ca 0.00 0.13 -0.10 0.00 0.00 0.00 0.00 44.72 44.75 3pmg s GLY 110 CO 0.00 -0.07 0.17 -0.42 0.00 0.00 0.00 173.10 172.79 3pmg s ILE 111 N -1.77 4.56 -0.15 0.90 1.01 -0.20 -1.06 121.20 124.50 3pmg s ILE 111 Ca -0.11 -0.63 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 3pmg s ILE 111 Cb -0.04 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 3pmg s ILE 111 CO 0.01 -0.07 0.08 -0.63 0.00 0.00 0.00 174.94 174.33 3pmg s ILE 112 N 1.58 4.98 -0.42 2.92 1.01 0.54 -2.48 121.20 129.33 3pmg s ILE 112 Ca 0.03 0.02 -0.05 0.00 0.00 0.00 0.00 60.65 60.65 3pmg s ILE 112 Cb -0.18 -3.20 0.11 0.00 0.01 0.00 0.00 42.46 39.20 3pmg s ILE 112 CO 0.06 0.54 0.24 -0.76 0.00 0.00 0.00 174.94 175.02 3pmg s LEU 113 N -0.30 5.31 -0.01 2.97 2.01 -0.52 -0.92 118.68 127.20 3pmg s LEU 113 Ca 0.09 -1.91 -0.28 0.00 0.01 0.00 0.00 54.13 52.04 3pmg s LEU 113 Cb -0.12 -1.89 0.09 0.00 0.01 0.00 0.00 46.19 44.28 3pmg s LEU 113 CO 0.01 -0.57 0.79 0.28 1.01 0.00 0.00 176.35 177.87 3pmg s THR 114 N 1.24 0.00 0.00 5.49 -1.32 -1.13 -1.87 115.64 118.05 3pmg s THR 114 Ca 0.06 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.54 3pmg s THR 114 Cb -0.24 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.75 3pmg s THR 114 CO -0.02 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.39 3pmg n ALA 115 N 0.23 1.17 0.00 11.08 0.00 -1.26 -3.43 120.51 128.30 3pmg n ALA 115 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3pmg n ALA 115 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3pmg n ALA 115 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3pmg n HIS 117 N -0.17 0.00 -1.96 0.00 1.44 -1.26 -4.71 115.22 108.57 3pmg n HIS 117 Ca 0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 3pmg n HIS 117 Cb 0.00 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 3pmg n HIS 117 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 3pmg s ASN 118 N -0.81 6.64 0.68 4.39 -0.87 -1.26 -3.78 114.94 119.92 3pmg s ASN 118 Ca 0.00 2.30 -0.17 0.00 -1.57 0.00 0.00 52.86 53.42 3pmg s ASN 118 Cb 0.00 -2.53 -0.05 0.00 -0.02 0.00 0.00 41.25 38.64 3pmg s ASN 118 CO 0.00 -0.94 0.52 -0.81 -2.57 0.00 0.00 177.10 173.29 3pmg n PRO 119 N 7.19 0.36 -3.60 -0.60 -0.04 -1.26 -4.77 135.00 132.28 3pmg n PRO 119 Ca 0.18 0.16 -0.21 0.00 -0.04 0.00 0.00 63.50 63.59 3pmg n PRO 119 Cb 0.42 -1.78 -0.03 0.00 -0.04 0.00 0.00 33.50 32.07 3pmg n PRO 119 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3pmg s GLY 120 N -1.38 2.06 0.00 0.55 0.00 -1.26 -1.22 107.32 106.07 3pmg s GLY 120 Ca 0.66 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 43.55 3pmg s GLY 120 CO 0.57 -1.67 0.00 0.61 0.00 0.00 0.00 173.10 172.61 3pmg n GLY 121 N -1.52 2.65 0.37 0.20 0.00 -1.23 -4.53 105.19 101.13 3pmg n GLY 121 Ca 0.03 -1.84 0.19 0.00 0.00 0.00 0.00 46.02 44.40 3pmg n GLY 121 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3pmg h PRO 122 N 0.00 0.00 0.00 1.61 0.11 -1.94 -2.24 132.00 129.53 3pmg h PRO 122 Ca 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.01 3pmg h PRO 122 Cb 0.00 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 30.88 3pmg h PRO 122 CO 0.00 0.00 -0.81 0.27 -0.21 0.00 0.00 178.00 177.25 3pmg n ASN 123 N -4.13 1.28 0.00 -2.05 6.94 -1.26 -4.64 115.26 111.40 3pmg n ASN 123 Ca 0.07 -2.76 0.00 0.00 -0.02 0.00 0.00 54.58 51.87 3pmg n ASN 123 Cb 0.54 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 3pmg n ASN 123 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3pmg n GLY 124 N -0.17 2.31 3.93 4.83 0.00 -0.85 -4.87 105.19 110.39 3pmg n GLY 124 Ca 0.11 -2.02 -0.28 0.00 0.00 0.00 0.00 46.02 43.83 3pmg n GLY 124 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3pmg s ASP 125 N -0.86 6.36 0.08 1.61 2.15 -0.36 0.01 116.67 125.67 3pmg s ASP 125 Ca 0.00 0.26 0.05 0.00 0.43 0.00 0.00 52.55 53.29 3pmg s ASP 125 Cb 0.00 -1.95 -0.03 0.00 -0.30 0.00 0.00 42.92 40.64 3pmg s ASP 125 CO 0.00 0.08 -0.14 0.12 -0.17 0.00 0.00 175.17 175.06 3pmg s PHE 126 N -1.67 1.27 -0.02 -5.34 5.36 -0.09 -4.57 117.98 112.92 3pmg s PHE 126 Ca 0.36 -0.48 -0.04 0.00 -0.96 0.00 0.00 56.93 55.81 3pmg s PHE 126 Cb -0.12 -0.70 0.00 0.00 -0.34 0.00 0.00 43.02 41.86 3pmg s PHE 126 CO 0.28 0.08 0.09 0.20 -1.46 0.00 0.00 175.22 174.40 3pmg s GLY 127 N -1.89 -0.00 -0.32 13.12 0.00 -1.22 -1.73 107.32 115.28 3pmg s GLY 127 Ca 0.00 0.07 0.03 0.00 0.00 0.00 0.00 44.72 44.82 3pmg s GLY 127 CO 0.02 0.00 0.04 -0.42 0.00 0.00 0.00 173.10 172.74 3pmg s ILE 128 N -0.45 2.01 -0.17 0.90 1.01 -0.78 -2.82 121.20 120.90 3pmg s ILE 128 Ca -0.05 -2.07 -0.10 0.00 0.00 0.00 0.00 60.65 58.43 3pmg s ILE 128 Cb -0.03 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.95 3pmg s ILE 128 CO 0.00 -0.53 0.17 -0.75 0.00 0.00 0.00 174.94 173.84 3pmg s LYS 129 N 1.06 4.03 -0.19 2.79 2.20 -0.10 -1.67 119.74 127.86 3pmg s LYS 129 Ca 0.08 -0.13 -0.02 0.00 -0.36 0.00 0.00 55.97 55.54 3pmg s LYS 129 Cb -0.19 -3.36 -0.01 0.00 -1.51 0.00 0.00 37.83 32.76 3pmg s LYS 129 CO -0.10 0.41 -0.08 0.12 -0.36 0.00 0.00 175.35 175.34 3pmg s PHE 130 N 0.02 2.91 0.02 4.03 5.36 -1.26 -0.34 117.98 128.72 3pmg s PHE 130 Ca 0.11 -0.87 0.00 0.00 -0.96 0.00 0.00 56.93 55.22 3pmg s PHE 130 Cb -0.12 -2.00 -0.04 0.00 -0.34 0.00 0.00 43.02 40.52 3pmg s PHE 130 CO 0.01 -0.43 0.10 -0.80 -1.46 0.00 0.00 175.22 172.64 3pmg s ASN 131 N 1.05 5.78 0.55 6.13 -0.87 -0.22 -1.00 114.94 126.35 3pmg s ASN 131 Ca 0.00 0.14 0.09 0.00 -1.57 0.00 0.00 52.86 51.52 3pmg s ASN 131 Cb -0.15 -1.67 0.09 0.00 -0.02 0.00 0.00 41.25 39.51 3pmg s ASN 131 CO -0.01 0.24 0.75 2.30 -2.57 0.00 0.00 177.10 177.81 3pmg n ILE 132 N 0.89 0.00 0.30 0.60 -5.35 0.77 -1.16 119.36 115.42 3pmg n ILE 132 Ca -0.11 -1.80 0.13 0.00 -0.27 0.00 0.00 62.75 60.71 3pmg n ILE 132 Cb 0.52 -0.56 0.71 0.00 -1.74 0.00 0.00 39.64 38.57 3pmg n ILE 132 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3pmg h SER 133 N 0.07 0.00 0.10 7.28 4.64 -1.48 -0.00 113.55 124.16 3pmg h SER 133 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3pmg h SER 133 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3pmg h SER 133 CO 0.36 0.00 -0.05 -0.46 -0.87 0.00 0.00 176.83 175.81 3pmg n ASN 134 N -2.72 0.82 0.00 4.97 6.94 -1.26 -4.65 115.26 119.37 3pmg n ASN 134 Ca -0.02 -1.10 0.00 0.00 -0.02 0.00 0.00 54.58 53.45 3pmg n ASN 134 Cb 0.38 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 3pmg n ASN 134 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3pmg n GLY 135 N 1.17 0.37 3.97 4.83 0.00 -0.01 -4.53 105.19 110.98 3pmg n GLY 135 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 3pmg n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3pmg s GLY 136 N -2.03 1.99 0.38 -0.02 0.00 -1.25 -4.45 107.32 101.94 3pmg s GLY 136 Ca 0.00 -1.75 -0.28 0.00 0.00 0.00 0.00 44.72 42.69 3pmg s GLY 136 CO 0.00 -1.57 1.47 -4.14 0.00 0.00 0.00 173.10 168.87 3pmg s PRO 137 N -4.31 4.09 0.18 2.90 0.02 -1.26 -0.16 135.00 136.46 3pmg s PRO 137 Ca 0.53 2.54 -0.33 0.00 0.02 0.00 0.00 61.00 63.76 3pmg s PRO 137 Cb -0.08 -2.95 -0.14 0.00 0.02 0.00 0.00 34.50 31.35 3pmg s PRO 137 CO 0.32 -0.53 1.50 0.00 -0.33 0.00 0.00 177.00 177.95 3pmg n ALA 138 N 0.43 1.09 -1.14 -1.55 0.00 -0.17 -4.64 120.51 114.53 3pmg n ALA 138 Ca 0.01 0.44 -0.31 0.00 0.00 0.00 0.00 53.44 53.58 3pmg n ALA 138 Cb 0.39 -2.30 0.11 0.00 0.00 0.00 0.00 19.45 17.65 3pmg n ALA 138 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3pmg s PRO 139 N 0.44 1.99 0.43 0.00 0.04 -1.26 -4.71 135.00 131.92 3pmg s PRO 139 Ca 0.76 1.24 0.23 0.00 0.04 0.00 0.00 61.00 63.26 3pmg s PRO 139 Cb -0.69 -1.86 1.21 0.00 0.04 0.00 0.00 34.50 33.20 3pmg s PRO 139 CO 0.42 -1.86 1.76 0.93 0.04 0.00 0.00 177.00 178.30 3pmg h GLU 140 N -1.29 0.28 -0.85 4.56 5.08 -1.96 0.25 114.58 120.66 3pmg h GLU 140 Ca -0.44 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 3pmg h GLU 140 Cb 1.24 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.38 3pmg h GLU 140 CO 0.49 0.19 0.50 0.00 -1.00 0.00 0.00 179.01 179.19 3pmg h ALA 141 N 1.59 1.28 0.05 3.43 0.00 -1.99 -0.02 119.26 123.59 3pmg h ALA 141 Ca 0.62 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 55.18 3pmg h ALA 141 Cb 1.76 -0.34 0.02 0.00 0.00 0.00 0.00 17.79 19.23 3pmg h ALA 141 CO -0.27 0.61 -0.98 0.82 0.00 0.00 0.00 179.25 179.43 3pmg h ILE 142 N 1.17 1.33 -0.05 0.00 1.08 -0.89 -2.34 117.51 117.82 3pmg h ILE 142 Ca 0.30 -2.29 -0.10 0.00 -0.39 0.00 0.00 64.86 62.38 3pmg h ILE 142 Cb -0.03 2.60 -0.01 0.00 -3.07 0.00 0.00 36.82 36.31 3pmg h ILE 142 CO -0.05 0.69 -0.42 0.71 -0.69 0.00 0.00 178.15 178.39 3pmg h THR 143 N 0.17 1.31 -0.38 -0.27 1.35 -1.11 -1.06 112.91 112.92 3pmg h THR 143 Ca -0.14 -1.50 -0.09 0.00 -0.55 0.00 0.00 66.41 64.14 3pmg h THR 143 Cb 1.67 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 69.82 3pmg h THR 143 CO 0.19 0.44 -0.11 0.44 -0.25 0.00 0.00 175.52 176.23 3pmg h ASP 144 N 0.10 0.75 -0.75 5.36 3.32 -1.02 -1.07 116.42 123.11 3pmg h ASP 144 Ca 0.01 -0.37 0.01 0.00 0.02 0.00 0.00 57.03 56.70 3pmg h ASP 144 Cb 0.79 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 3pmg h ASP 144 CO 0.06 0.95 0.49 0.50 -1.72 0.00 0.00 179.24 179.52 3pmg h LYS 145 N 0.54 0.97 -0.40 3.56 3.64 -1.00 0.42 116.57 124.30 3pmg h LYS 145 Ca 0.09 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3pmg h LYS 145 Cb 0.63 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 3pmg h LYS 145 CO 0.04 0.64 0.05 0.82 -2.27 0.00 0.00 179.45 178.73 3pmg h ILE 146 N 0.99 1.20 -0.05 2.00 2.04 -0.96 -1.32 117.51 121.42 3pmg h ILE 146 Ca 0.28 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 3pmg h ILE 146 Cb -0.09 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3pmg h ILE 146 CO -0.07 0.27 -0.03 0.15 0.00 0.00 0.00 178.15 178.47 3pmg h PHE 147 N 0.59 0.14 -0.26 1.37 3.57 0.20 0.93 116.94 123.48 3pmg h PHE 147 Ca 0.13 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 3pmg h PHE 147 Cb 0.29 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 3pmg h PHE 147 CO 0.01 0.52 -0.07 1.96 -2.23 0.00 0.00 178.31 178.50 3pmg h GLN 148 N -0.29 0.42 0.06 1.11 1.08 -0.10 -1.88 115.11 115.52 3pmg h GLN 148 Ca 0.01 -0.10 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 3pmg h GLN 148 Cb 0.49 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 3pmg h GLN 148 CO 0.01 0.51 -0.03 0.82 -0.95 0.00 0.00 178.83 179.19 3pmg h ILE 149 N 0.40 1.18 -0.03 2.54 2.04 -1.16 -3.04 117.51 119.44 3pmg h ILE 149 Ca 0.08 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.09 3pmg h ILE 149 Cb 0.38 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 38.20 3pmg h ILE 149 CO 0.02 0.21 0.03 0.77 0.00 0.00 0.00 178.15 179.18 3pmg h SER 150 N -0.47 0.00 0.23 1.72 4.64 -0.54 -1.85 113.55 117.28 3pmg h SER 150 Ca -0.01 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 3pmg h SER 150 Cb 0.41 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3pmg h SER 150 CO 0.01 0.00 -0.73 0.11 -0.87 0.00 0.00 176.83 175.35 3pmg h LYS 151 N 0.00 0.43 -0.31 4.77 1.57 -1.25 -3.33 116.57 118.45 3pmg h LYS 151 Ca 0.02 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3pmg h LYS 151 Cb 0.08 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3pmg h LYS 151 CO -0.00 0.99 0.00 0.25 -0.57 0.00 0.00 179.45 180.12 3pmg n THR 152 N -3.84 0.93 -1.71 -0.16 -2.24 -0.88 -4.71 114.28 101.68 3pmg n THR 152 Ca -0.04 -0.96 -0.43 0.00 -2.27 0.00 0.00 64.05 60.34 3pmg n THR 152 Cb 0.71 0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 69.46 3pmg n THR 152 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3pmg n ILE 153 N 0.47 0.02 0.05 2.28 3.06 -0.75 -4.90 119.36 119.59 3pmg n ILE 153 Ca 0.11 -0.00 0.07 0.00 -2.50 0.00 0.00 62.75 60.42 3pmg n ILE 153 Cb 0.41 -1.88 -0.10 0.00 0.54 0.00 0.00 39.64 38.60 3pmg n ILE 153 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 3pmg n GLU 154 N 3.92 0.61 -3.82 9.51 0.00 -1.26 -3.16 120.64 126.44 3pmg n GLU 154 Ca 0.16 -0.11 -0.07 0.00 0.00 0.00 0.00 57.16 57.15 3pmg n GLU 154 Cb 0.33 -1.30 -0.02 0.00 0.00 0.00 0.00 31.44 30.45 3pmg n GLU 154 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 3pmg s GLU 155 N -2.88 1.67 0.06 5.31 -1.05 -1.26 -0.15 118.70 120.40 3pmg s GLU 155 Ca -0.04 -0.91 -0.05 0.00 -0.15 0.00 0.00 54.97 53.82 3pmg s GLU 155 Cb 0.09 0.57 -0.02 0.00 -0.44 0.00 0.00 34.13 34.34 3pmg s GLU 155 CO 0.56 -0.76 0.09 1.52 0.95 0.00 0.00 175.26 177.62 3pmg s TYR 156 N -3.80 0.27 -0.03 4.83 -0.85 -0.54 -4.89 117.35 112.34 3pmg s TYR 156 Ca 0.11 -0.68 0.01 0.00 -0.52 0.00 0.00 57.07 55.98 3pmg s TYR 156 Cb -0.05 -0.18 -0.03 0.00 0.38 0.00 0.00 41.96 42.07 3pmg s TYR 156 CO 0.05 -0.43 -0.01 0.00 -1.52 0.00 0.00 175.55 173.65 3pmg s ALA 157 N -3.37 3.23 0.01 9.51 0.00 -1.26 -0.85 121.76 129.04 3pmg s ALA 157 Ca 0.01 -0.92 -0.14 0.00 0.00 0.00 0.00 51.96 50.92 3pmg s ALA 157 Cb 0.03 -1.34 0.02 0.00 0.00 0.00 0.00 23.12 21.83 3pmg s ALA 157 CO -0.08 0.62 0.29 -1.50 0.00 0.00 0.00 175.76 175.10 3pmg s ILE 158 N -1.01 0.07 -0.74 0.00 2.07 -0.09 -4.54 121.20 116.96 3pmg s ILE 158 Ca 0.17 -0.59 -0.11 0.00 -1.41 0.00 0.00 60.65 58.71 3pmg s ILE 158 Cb -0.11 -0.76 0.19 0.00 0.13 0.00 0.00 42.46 41.91 3pmg s ILE 158 CO 0.07 -0.33 0.64 0.00 -1.91 0.00 0.00 174.94 173.42 3pmg h PRO 160 N 7.67 0.09 0.00 0.00 0.11 -1.89 -2.81 132.00 135.17 3pmg h PRO 160 Ca 0.03 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.04 3pmg h PRO 160 Cb 1.02 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3pmg h PRO 160 CO 0.77 0.06 -0.46 0.38 -0.21 0.00 0.00 178.00 178.53 3pmg h ASP 161 N 0.09 0.00 -2.64 -2.05 2.03 -1.93 -3.48 116.42 108.43 3pmg h ASP 161 Ca 0.48 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 56.26 3pmg h ASP 161 Cb 0.90 0.00 0.04 0.00 -0.83 0.00 0.00 39.33 39.44 3pmg h ASP 161 CO -0.74 0.46 1.03 -0.22 -1.03 0.00 0.00 179.24 178.73 3pmg s LEU 162 N -6.79 4.38 0.01 0.15 0.20 -1.06 -5.03 118.68 110.54 3pmg s LEU 162 Ca 0.02 2.73 0.02 0.00 0.69 0.00 0.00 54.13 57.59 3pmg s LEU 162 Cb 0.10 -3.58 -0.01 0.00 -0.43 0.00 0.00 46.19 42.27 3pmg s LEU 162 CO 0.72 -0.95 -0.06 -0.75 -0.29 0.00 0.00 176.35 175.01 3pmg s LYS 163 N 2.00 0.49 -0.01 1.98 2.20 -1.26 -4.79 119.74 120.34 3pmg s LYS 163 Ca 0.76 -0.33 0.03 0.00 -0.36 0.00 0.00 55.97 56.07 3pmg s LYS 163 Cb -0.46 -0.43 -0.00 0.00 -1.51 0.00 0.00 37.83 35.43 3pmg s LYS 163 CO 0.34 0.11 -0.09 0.54 -0.36 0.00 0.00 175.35 175.88 3pmg s VAL 164 N -0.40 0.76 -0.39 4.02 0.11 -1.26 -5.10 120.40 118.14 3pmg s VAL 164 Ca -0.00 -0.39 -0.22 0.00 -2.93 0.00 0.00 61.98 58.44 3pmg s VAL 164 Cb -0.04 -0.65 0.01 0.00 -1.53 0.00 0.00 36.38 34.17 3pmg s VAL 164 CO -0.00 0.22 0.72 -0.62 -3.33 0.00 0.00 175.10 172.09 3pmg s ASP 165 N -0.09 6.46 0.25 3.54 -1.08 -1.26 -4.94 116.67 119.54 3pmg s ASP 165 Ca 0.02 0.11 0.24 0.00 -0.52 0.00 0.00 52.55 52.40 3pmg s ASP 165 Cb -0.05 -2.36 0.93 0.00 -1.46 0.00 0.00 42.92 39.98 3pmg s ASP 165 CO -0.00 -0.73 1.74 0.18 0.52 0.00 0.00 175.17 176.87 3pmg n LEU 166 N 6.35 0.72 0.04 -1.34 4.32 -1.26 -3.57 117.00 122.26 3pmg n LEU 166 Ca 0.01 0.64 0.12 0.00 -0.02 0.00 0.00 56.01 56.76 3pmg n LEU 166 Cb 0.48 -0.50 0.26 0.00 -1.62 0.00 0.00 43.42 42.04 3pmg n LEU 166 CO 0.53 -0.45 0.49 0.61 -1.22 0.00 0.00 177.39 177.35 3pmg n GLY 167 N 0.40 -1.40 3.51 -0.72 0.00 -1.26 -0.39 105.19 105.33 3pmg n GLY 167 Ca 0.03 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 3pmg n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pmg s VAL 168 N -3.10 5.05 0.61 1.61 1.01 -1.23 -4.84 120.40 119.50 3pmg s VAL 168 Ca 0.09 -0.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.78 3pmg s VAL 168 Cb 0.15 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 3pmg s VAL 168 CO 0.68 -0.37 1.25 -0.76 0.00 0.00 0.00 175.10 175.91 3pmg s LEU 169 N 2.27 3.64 0.00 3.92 1.43 -1.26 -4.60 118.68 124.08 3pmg s LEU 169 Ca 0.15 2.51 0.00 0.00 -1.03 0.00 0.00 54.13 55.76 3pmg s LEU 169 Cb -0.16 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.47 3pmg s LEU 169 CO 0.14 -1.75 0.00 0.61 0.23 0.00 0.00 176.35 175.58 3pmg n GLY 170 N 0.68 0.78 3.75 -3.19 0.00 -0.21 -4.88 105.19 102.12 3pmg n GLY 170 Ca 0.14 -2.23 -0.38 0.00 0.00 0.00 0.00 46.02 43.55 3pmg n GLY 170 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pmg s LYS 171 N -1.06 4.25 -0.05 1.61 2.20 -1.26 -1.26 119.74 124.17 3pmg s LYS 171 Ca 0.00 0.42 0.05 0.00 -0.36 0.00 0.00 55.97 56.08 3pmg s LYS 171 Cb 0.00 -3.39 -0.00 0.00 -1.51 0.00 0.00 37.83 32.93 3pmg s LYS 171 CO 0.00 0.28 -0.20 -0.65 -0.36 0.00 0.00 175.35 174.42 3pmg s GLN 172 N 0.23 2.17 0.11 4.03 -0.21 -0.39 -5.01 119.66 120.59 3pmg s GLN 172 Ca 0.25 -0.73 0.07 0.00 0.02 0.00 0.00 55.36 54.97 3pmg s GLN 172 Cb -0.15 -1.83 -0.03 0.00 1.00 0.00 0.00 33.01 31.99 3pmg s GLN 172 CO 0.11 0.28 -0.18 -0.65 -2.12 0.00 0.00 175.29 172.72 3pmg s GLN 173 N 0.03 1.06 0.00 2.91 -0.21 -1.26 -0.76 119.66 121.43 3pmg s GLN 173 Ca -0.06 -1.16 0.02 0.00 0.02 0.00 0.00 55.36 54.18 3pmg s GLN 173 Cb -0.13 -1.19 -0.01 0.00 1.00 0.00 0.00 33.01 32.69 3pmg s GLN 173 CO 0.03 0.26 -0.06 -0.06 -2.12 0.00 0.00 175.29 173.35 3pmg s PHE 174 N -1.44 0.49 -0.30 0.91 0.40 0.43 -4.95 117.98 113.52 3pmg s PHE 174 Ca 0.06 -0.13 -0.14 0.00 -0.60 0.00 0.00 56.93 56.13 3pmg s PHE 174 Cb -0.09 -0.31 -0.03 0.00 0.51 0.00 0.00 43.02 43.10 3pmg s PHE 174 CO 0.04 -0.02 0.32 -0.51 0.70 0.00 0.00 175.22 175.75 3pmg s ASP 175 N -0.26 6.16 -0.13 1.36 1.01 -1.26 -1.58 116.67 121.97 3pmg s ASP 175 Ca 0.01 0.03 -0.17 0.00 0.71 0.00 0.00 52.55 53.12 3pmg s ASP 175 Cb -0.03 -2.18 -0.04 0.00 1.01 0.00 0.00 42.92 41.68 3pmg s ASP 175 CO -0.00 -0.20 0.44 -0.76 0.21 0.00 0.00 175.17 174.86 3pmg s LEU 176 N 1.96 4.26 0.06 1.23 1.43 -1.26 0.45 118.68 126.81 3pmg s LEU 176 Ca 0.12 0.73 -0.37 0.00 -1.03 0.00 0.00 54.13 53.58 3pmg s LEU 176 Cb -0.16 -2.62 -0.19 0.00 0.03 0.00 0.00 46.19 43.25 3pmg s LEU 176 CO 0.11 0.01 1.02 -1.84 0.23 0.00 0.00 176.35 175.87 3pmg n GLU 177 N 3.75 0.24 -4.19 1.70 0.28 0.99 -2.15 120.64 121.26 3pmg n GLU 177 Ca -0.08 0.09 -0.34 0.00 -0.16 0.00 0.00 57.16 56.66 3pmg n GLU 177 Cb 0.52 -1.52 -0.06 0.00 1.43 0.00 0.00 31.44 31.81 3pmg n GLU 177 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3pmg n ASN 178 N 1.75 -0.52 -3.65 -1.84 5.03 -1.26 -4.82 115.26 109.94 3pmg n ASN 178 Ca 0.19 -1.23 -0.21 0.00 0.87 0.00 0.00 54.58 54.19 3pmg n ASN 178 Cb 0.14 -1.51 -0.18 0.00 -1.02 0.00 0.00 39.78 37.21 3pmg n ASN 178 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3pmg s LYS 179 N -7.25 -0.04 0.17 3.52 -0.14 -0.91 -5.06 119.74 110.02 3pmg s LYS 179 Ca 0.14 0.27 -0.07 0.00 -1.36 0.00 0.00 55.97 54.95 3pmg s LYS 179 Cb -0.08 -0.82 0.04 0.00 -1.68 0.00 0.00 37.83 35.29 3pmg s LYS 179 CO 0.95 -0.41 1.50 0.35 -0.76 0.00 0.00 175.35 176.98 3pmg h PHE 180 N 8.43 0.95 -3.19 3.18 3.57 -1.93 -3.42 116.94 124.53 3pmg h PHE 180 Ca -0.13 -0.29 -0.59 0.00 3.53 0.00 0.00 57.97 60.49 3pmg h PHE 180 Cb 1.13 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 39.60 3pmg h PHE 180 CO 0.40 1.08 -0.18 0.15 -2.23 0.00 0.00 178.31 177.52 3pmg s LYS 181 N -4.28 4.15 0.51 1.11 3.01 -1.26 -5.07 119.74 117.91 3pmg s LYS 181 Ca -0.10 0.40 -0.19 0.00 -1.01 0.00 0.00 55.97 55.08 3pmg s LYS 181 Cb 0.11 -3.34 -0.08 0.00 -1.01 0.00 0.00 37.83 33.52 3pmg s LYS 181 CO 0.86 0.40 1.02 -1.25 0.51 0.00 0.00 175.35 176.89 3pmg s PRO 182 N -0.16 3.80 0.14 -1.68 0.04 -1.26 -4.78 135.00 131.09 3pmg s PRO 182 Ca 0.24 1.20 -0.28 0.00 0.04 0.00 0.00 61.00 62.20 3pmg s PRO 182 Cb -0.16 -2.10 -0.07 0.00 0.04 0.00 0.00 34.50 32.21 3pmg s PRO 182 CO 0.11 -0.42 0.89 0.12 0.04 0.00 0.00 177.00 177.75 3pmg s PHE 183 N -2.25 3.85 -0.09 0.56 5.36 -0.61 -4.84 117.98 119.96 3pmg s PHE 183 Ca 0.64 1.74 0.02 0.00 -0.96 0.00 0.00 56.93 58.37 3pmg s PHE 183 Cb -0.14 -2.95 -0.02 0.00 -0.34 0.00 0.00 43.02 39.57 3pmg s PHE 183 CO 0.25 0.32 -0.15 0.99 -1.46 0.00 0.00 175.22 175.17 3pmg s THR 184 N -0.44 2.96 -0.17 0.12 2.01 0.03 -0.42 115.64 119.73 3pmg s THR 184 Ca 0.42 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.70 3pmg s THR 184 Cb -0.23 -2.19 0.01 0.00 0.01 0.00 0.00 72.50 70.09 3pmg s THR 184 CO 0.29 0.55 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.91 3pmg s VAL 185 N -0.11 2.44 -0.36 3.82 1.01 0.06 -1.82 120.40 125.45 3pmg s VAL 185 Ca -0.02 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 3pmg s VAL 185 Cb -0.14 -2.03 0.05 0.00 0.00 0.00 0.00 36.38 34.26 3pmg s VAL 185 CO 0.04 0.52 0.14 -0.70 0.00 0.00 0.00 175.10 175.10 3pmg s GLU 186 N 1.06 2.61 -0.20 2.72 2.12 0.32 -1.27 118.70 126.07 3pmg s GLU 186 Ca -0.01 -1.24 -0.24 0.00 0.36 0.00 0.00 54.97 53.85 3pmg s GLU 186 Cb -0.14 -3.54 -0.01 0.00 0.26 0.00 0.00 34.13 30.69 3pmg s GLU 186 CO -0.05 -0.73 0.77 0.42 -0.54 0.00 0.00 175.26 175.13 3pmg s ILE 187 N 1.41 4.91 0.03 -3.70 -1.09 -0.39 -1.85 121.20 120.51 3pmg s ILE 187 Ca -0.00 1.48 0.04 0.00 -2.23 0.00 0.00 60.65 59.93 3pmg s ILE 187 Cb -0.20 -4.07 -0.04 0.00 -1.58 0.00 0.00 42.46 36.57 3pmg s ILE 187 CO 0.03 0.02 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.00 3pmg s VAL 188 N 2.33 3.66 0.39 2.92 1.01 -0.53 -1.04 120.40 129.14 3pmg s VAL 188 Ca 0.34 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 61.19 3pmg s VAL 188 Cb -0.16 -2.63 -0.11 0.00 0.00 0.00 0.00 36.38 33.48 3pmg s VAL 188 CO 0.10 0.32 1.28 -0.67 0.00 0.00 0.00 175.10 176.14 3pmg n ASP 189 N 1.32 2.67 0.14 3.32 2.03 -1.26 -1.01 116.55 123.75 3pmg n ASP 189 Ca -0.15 1.15 0.02 0.00 0.52 0.00 0.00 54.79 56.33 3pmg n ASP 189 Cb 0.52 -1.50 0.37 0.00 -0.72 0.00 0.00 41.12 39.79 3pmg n ASP 189 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3pmg h SER 190 N 2.29 0.17 0.12 1.67 0.02 -1.86 -3.35 113.55 112.61 3pmg h SER 190 Ca -0.47 -0.04 -0.34 0.00 -0.84 0.00 0.00 61.79 60.09 3pmg h SER 190 Cb 1.29 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 63.72 3pmg h SER 190 CO 0.61 0.40 -2.21 0.52 -1.14 0.00 0.00 176.83 175.01 3pmg n VAL 191 N -4.21 1.41 -0.05 2.27 0.31 -1.26 -4.79 118.33 112.01 3pmg n VAL 191 Ca -0.01 -0.84 -0.13 0.00 -0.01 0.00 0.00 64.34 63.35 3pmg n VAL 191 Cb 0.33 -0.59 -0.08 0.00 -0.91 0.00 0.00 33.84 32.59 3pmg n VAL 191 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3pmg h GLU 192 N 0.00 -0.46 -0.90 5.55 4.22 -1.97 -0.22 114.58 120.80 3pmg h GLU 192 Ca -0.47 0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.04 3pmg h GLU 192 Cb 2.16 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 31.46 3pmg h GLU 192 CO 0.04 -0.31 0.58 0.00 -2.18 0.00 0.00 179.01 177.14 3pmg h ALA 193 N 0.02 1.19 0.62 2.92 0.00 -1.87 -0.21 119.26 121.93 3pmg h ALA 193 Ca 0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3pmg h ALA 193 Cb 0.64 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.13 3pmg h ALA 193 CO -0.48 0.42 -0.30 -0.92 0.00 0.00 0.00 179.25 177.97 3pmg h TYR 194 N 1.11 -0.77 -0.32 0.00 3.20 -1.74 -1.61 116.97 116.83 3pmg h TYR 194 Ca 0.36 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 3pmg h TYR 194 Cb 0.03 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 3pmg h TYR 194 CO -0.02 -0.45 0.16 0.00 -1.64 0.00 0.00 178.16 176.21 3pmg h ALA 195 N -0.58 1.70 -0.63 1.82 0.00 -0.96 -1.35 119.26 119.26 3pmg h ALA 195 Ca -0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3pmg h ALA 195 Cb 0.67 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3pmg h ALA 195 CO 0.14 0.26 0.25 1.15 0.00 0.00 0.00 179.25 181.05 3pmg h THR 196 N 0.44 1.22 -0.24 0.00 2.02 -0.63 0.05 112.91 115.76 3pmg h THR 196 Ca 0.11 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 3pmg h THR 196 Cb 0.03 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3pmg h THR 196 CO -0.02 0.27 0.08 -0.03 0.37 0.00 0.00 175.52 176.19 3pmg h MET 197 N 0.90 0.38 0.00 6.66 -1.53 -0.28 -2.37 114.93 118.69 3pmg h MET 197 Ca 0.21 -0.08 -0.04 0.00 -3.44 0.00 0.00 59.70 56.35 3pmg h MET 197 Cb 0.17 -0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.16 3pmg h MET 197 CO -0.02 0.45 -0.21 -0.07 0.14 0.00 0.00 176.91 177.20 3pmg h LEU 198 N 0.23 0.00 -1.66 3.39 3.38 -0.91 -1.58 115.31 118.15 3pmg h LEU 198 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3pmg h LEU 198 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3pmg h LEU 198 CO -0.00 0.21 -0.03 -0.09 0.09 0.00 0.00 178.44 178.62 3pmg h ARG 199 N 0.00 0.18 0.00 1.13 9.65 -0.47 -1.44 114.38 123.42 3pmg h ARG 199 Ca -0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3pmg h ARG 199 Cb 0.52 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 3pmg h ARG 199 CO 0.03 0.22 -0.45 0.09 2.80 0.00 0.00 179.97 182.66 3pmg n ASN 200 N -4.40 0.51 -0.13 -3.80 4.13 -0.62 -4.39 115.26 106.56 3pmg n ASN 200 Ca -0.01 0.04 -0.21 0.00 1.68 0.00 0.00 54.58 56.08 3pmg n ASN 200 Cb 0.17 0.05 -0.11 0.00 -1.54 0.00 0.00 39.78 38.35 3pmg n ASN 200 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3pmg n ILE 201 N -1.76 1.48 -3.63 2.41 5.41 -0.67 -4.59 119.36 118.02 3pmg n ILE 201 Ca 0.05 -0.51 -0.20 0.00 1.00 0.00 0.00 62.75 63.09 3pmg n ILE 201 Cb 0.38 -1.55 -0.01 0.00 -0.71 0.00 0.00 39.64 37.74 3pmg n ILE 201 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 3pmg s PHE 202 N -2.51 3.14 -0.88 1.39 0.08 -0.63 -1.30 117.98 117.27 3pmg s PHE 202 Ca -0.36 -0.20 -0.18 0.00 0.12 0.00 0.00 56.93 56.32 3pmg s PHE 202 Cb 0.11 -1.87 0.15 0.00 -0.57 0.00 0.00 43.02 40.83 3pmg s PHE 202 CO 0.56 0.11 1.01 0.34 -0.10 0.00 0.00 175.22 177.15 3pmg s ASP 203 N -4.10 6.63 0.57 1.36 -1.08 -1.26 -4.75 116.67 114.03 3pmg s ASP 203 Ca 0.42 -2.14 0.29 0.00 -0.52 0.00 0.00 52.55 50.60 3pmg s ASP 203 Cb -0.09 -2.35 1.72 0.00 -1.46 0.00 0.00 42.92 40.75 3pmg s ASP 203 CO 0.30 -0.96 2.21 -0.26 0.52 0.00 0.00 175.17 176.98 3pmg h PHE 204 N 8.61 0.00 -0.10 -5.34 -1.00 -1.89 -2.20 116.94 115.03 3pmg h PHE 204 Ca 0.11 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.87 3pmg h PHE 204 Cb 1.03 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.59 3pmg h PHE 204 CO 1.11 0.03 -0.03 -0.91 -1.61 0.00 0.00 178.31 176.91 3pmg h ASN 205 N 0.00 0.19 -0.64 2.17 -0.26 -1.97 0.52 115.58 115.60 3pmg h ASN 205 Ca -0.00 -0.38 0.07 0.00 -0.56 0.00 0.00 56.30 55.42 3pmg h ASN 205 Cb 0.09 -0.05 -0.06 0.00 -1.06 0.00 0.00 38.32 37.24 3pmg h ASN 205 CO 0.00 0.53 0.33 0.00 -1.06 0.00 0.00 177.43 177.24 3pmg h ALA 206 N 0.67 0.85 0.00 -0.83 0.00 -1.91 -0.68 119.26 117.36 3pmg h ALA 206 Ca 0.02 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3pmg h ALA 206 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3pmg h ALA 206 CO 0.01 -0.03 -0.39 -0.07 0.00 0.00 0.00 179.25 178.77 3pmg h LEU 207 N 0.60 0.00 -0.55 0.00 3.38 -1.23 -1.01 115.31 116.49 3pmg h LEU 207 Ca 0.29 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.11 3pmg h LEU 207 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3pmg h LEU 207 CO -0.21 0.39 -0.61 0.50 0.09 0.00 0.00 178.44 178.61 3pmg h LYS 208 N 0.00 0.40 -0.28 1.13 3.11 0.37 -1.32 116.57 119.99 3pmg h LYS 208 Ca -0.00 -0.28 -0.18 0.00 -2.81 0.00 0.00 60.65 57.38 3pmg h LYS 208 Cb 0.73 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.00 3pmg h LYS 208 CO 0.05 0.89 -0.54 0.93 -2.81 0.00 0.00 179.45 177.97 3pmg h GLU 209 N 0.30 0.86 -0.72 1.90 5.08 -0.57 -2.21 114.58 119.22 3pmg h GLU 209 Ca -0.01 -0.55 0.06 0.00 -1.00 0.00 0.00 59.36 57.87 3pmg h GLU 209 Cb 1.14 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.40 3pmg h GLU 209 CO 0.10 1.18 0.41 1.25 -1.00 0.00 0.00 179.01 180.96 3pmg h LEU 210 N 0.64 0.62 -0.28 1.33 6.46 -0.99 -2.11 115.31 120.97 3pmg h LEU 210 Ca 0.01 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 3pmg h LEU 210 Cb 1.15 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.99 3pmg h LEU 210 CO 0.12 0.39 -0.47 0.18 -0.62 0.00 0.00 178.44 178.04 3pmg n LEU 211 N -4.75 0.91 0.00 2.25 4.77 -0.51 -0.22 117.00 119.45 3pmg n LEU 211 Ca 0.09 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3pmg n LEU 211 Cb 0.18 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3pmg n LEU 211 CO 0.29 0.19 -0.46 -1.20 -1.33 0.00 0.00 177.39 174.88 3pmg n SER 212 N -1.04 0.23 -3.62 -1.43 7.64 -0.84 -4.32 113.62 110.24 3pmg n SER 212 Ca 0.08 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.81 3pmg n SER 212 Cb 0.35 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.67 3pmg n SER 212 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3pmg n GLY 213 N 2.91 -2.25 0.12 0.23 0.00 -0.80 -4.59 105.19 100.81 3pmg n GLY 213 Ca 0.00 -0.67 0.05 0.00 0.00 0.00 0.00 46.02 45.40 3pmg n GLY 213 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3pmg n PRO 214 N -1.05 0.07 -0.03 1.61 -0.02 -1.26 -0.73 135.00 133.59 3pmg n PRO 214 Ca 0.05 0.50 0.02 0.00 -2.02 0.00 0.00 63.50 62.04 3pmg n PRO 214 Cb 0.30 -2.01 -0.12 0.00 -0.02 0.00 0.00 33.50 31.66 3pmg n PRO 214 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3pmg n ASN 215 N -1.86 1.51 0.00 2.55 0.23 -1.26 -5.08 115.26 111.35 3pmg n ASN 215 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.04 3pmg n ASN 215 Cb 0.31 1.35 0.00 0.00 -2.08 0.00 0.00 39.78 39.36 3pmg n ASN 215 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 3pmg n ARG 216 N -2.23 0.00 -1.68 -3.83 0.63 0.10 -4.78 116.66 104.87 3pmg n ARG 216 Ca -0.11 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.39 3pmg n ARG 216 Cb 0.63 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.50 3pmg n ARG 216 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3pmg n LEU 217 N 0.97 4.05 -4.69 6.15 7.94 0.69 -4.94 117.00 127.17 3pmg n LEU 217 Ca 0.00 0.95 -0.40 0.00 -1.11 0.00 0.00 56.01 55.45 3pmg n LEU 217 Cb 0.00 -1.52 -0.05 0.00 0.53 0.00 0.00 43.42 42.38 3pmg n LEU 217 CO 0.00 0.17 0.44 -0.54 -1.11 0.00 0.00 177.39 176.35 3pmg s LYS 218 N 3.56 4.32 0.26 1.96 1.02 -1.26 -4.76 119.74 124.85 3pmg s LYS 218 Ca 0.86 0.82 0.10 0.00 0.02 0.00 0.00 55.97 57.76 3pmg s LYS 218 Cb -0.48 -3.52 -0.05 0.00 -0.52 0.00 0.00 37.83 33.26 3pmg s LYS 218 CO 0.40 -0.14 -0.16 0.96 -0.92 0.00 0.00 175.35 175.50 3pmg s ILE 219 N 1.52 2.13 -0.10 2.17 -4.36 -1.26 -0.23 121.20 121.08 3pmg s ILE 219 Ca 0.34 -2.30 -0.02 0.00 -0.26 0.00 0.00 60.65 58.41 3pmg s ILE 219 Cb -0.17 -2.25 0.04 0.00 1.25 0.00 0.00 42.46 41.33 3pmg s ILE 219 CO 0.14 -0.45 0.02 -0.60 0.24 0.00 0.00 174.94 174.30 3pmg s ARG 220 N -3.58 0.47 -0.18 0.37 6.06 -0.70 -4.59 118.95 116.79 3pmg s ARG 220 Ca 0.27 0.03 0.01 0.00 -2.50 0.00 0.00 55.73 53.54 3pmg s ARG 220 Cb -0.02 -1.20 0.02 0.00 0.06 0.00 0.00 34.95 33.81 3pmg s ARG 220 CO 0.12 -0.41 -0.19 0.42 -2.50 0.00 0.00 175.30 172.75 3pmg s ILE 221 N 2.00 2.01 -0.25 4.11 -1.09 0.22 -2.18 121.20 126.01 3pmg s ILE 221 Ca 0.04 -0.94 -0.11 0.00 -2.23 0.00 0.00 60.65 57.40 3pmg s ILE 221 Cb -0.13 -1.84 -0.05 0.00 -1.58 0.00 0.00 42.46 38.86 3pmg s ILE 221 CO -0.06 0.50 0.17 -0.62 -1.23 0.00 0.00 174.94 173.70 3pmg s ASP 222 N 1.30 6.08 0.00 3.58 -1.08 0.44 -0.47 116.67 126.52 3pmg s ASP 222 Ca 0.04 0.07 0.24 0.00 -0.52 0.00 0.00 52.55 52.38 3pmg s ASP 222 Cb -0.13 -2.11 0.26 0.00 -1.46 0.00 0.00 42.92 39.47 3pmg s ASP 222 CO -0.12 0.02 1.30 0.00 0.52 0.00 0.00 175.17 176.89 3pmg n ALA 223 N 4.57 2.45 -4.13 3.66 0.00 -0.78 -2.93 120.51 123.35 3pmg n ALA 223 Ca -0.15 -0.76 -0.33 0.00 0.00 0.00 0.00 53.44 52.20 3pmg n ALA 223 Cb 0.52 -0.83 -0.02 0.00 0.00 0.00 0.00 19.45 19.12 3pmg n ALA 223 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3pmg n MET 224 N 1.37 -3.49 -1.71 0.00 0.00 -1.15 -1.73 117.12 110.41 3pmg n MET 224 Ca 0.15 0.41 -0.19 0.00 0.00 0.00 0.00 57.70 58.07 3pmg n MET 224 Cb 0.60 -5.02 -0.07 0.00 0.00 0.00 0.00 33.22 28.73 3pmg n MET 224 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 3pmg n HIS 225 N -4.43 -0.17 -2.78 2.03 8.25 -0.27 -4.58 115.22 113.27 3pmg n HIS 225 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3pmg n HIS 225 Cb 0.54 -3.37 0.00 0.00 1.12 0.00 0.00 29.99 28.28 3pmg n HIS 225 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3pmg n GLY 226 N -0.66 2.59 0.30 -1.41 0.00 -0.70 -1.56 105.19 103.74 3pmg n GLY 226 Ca -0.20 -2.10 0.19 0.00 0.00 0.00 0.00 46.02 43.91 3pmg n GLY 226 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3pmg h VAL 227 N 0.11 0.14 -0.01 1.61 3.04 -1.20 -2.84 116.25 117.11 3pmg h VAL 227 Ca 0.00 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 3pmg h VAL 227 Cb 0.00 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 3pmg h VAL 227 CO 0.00 0.02 -0.02 0.55 -1.01 0.00 0.00 177.57 177.11 3pmg n VAL 228 N -3.24 0.00 0.04 1.51 3.14 -1.26 -4.27 118.33 114.25 3pmg n VAL 228 Ca -0.02 -0.09 -0.11 0.00 -2.96 0.00 0.00 64.34 61.17 3pmg n VAL 228 Cb 0.17 -0.12 -0.04 0.00 -1.06 0.00 0.00 33.84 32.79 3pmg n VAL 228 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3pmg h GLY 229 N 4.95 -0.22 0.31 7.55 0.00 -1.73 -1.93 103.07 112.00 3pmg h GLY 229 Ca 0.00 0.21 0.11 0.00 0.00 0.00 0.00 47.33 47.66 3pmg h GLY 229 CO 0.00 -0.17 0.26 -2.55 0.00 0.00 0.00 176.54 174.09 3pmg h PRO 230 N -0.28 0.43 -0.35 4.80 0.11 -1.74 -2.73 132.00 132.23 3pmg h PRO 230 Ca 0.06 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.07 3pmg h PRO 230 Cb 0.36 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 3pmg h PRO 230 CO -0.19 0.28 -0.09 1.88 -0.21 0.00 0.00 178.00 179.67 3pmg h TYR 231 N 0.44 0.64 0.14 0.65 -1.99 -1.72 -0.35 116.97 114.78 3pmg h TYR 231 Ca 0.35 -0.10 -0.01 0.00 2.00 0.00 0.00 58.73 60.98 3pmg h TYR 231 Cb 0.46 -0.17 0.00 0.00 2.00 0.00 0.00 36.73 39.02 3pmg h TYR 231 CO -0.16 0.67 -0.07 0.28 -0.00 0.00 0.00 178.16 178.88 3pmg h VAL 232 N 0.55 1.02 0.45 -2.88 2.07 -1.13 -1.35 116.25 114.99 3pmg h VAL 232 Ca 0.10 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 3pmg h VAL 232 Cb 0.49 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 3pmg h VAL 232 CO 0.03 0.18 -0.50 0.11 0.02 0.00 0.00 177.57 177.41 3pmg h LYS 233 N -0.57 -0.93 -0.62 1.57 1.57 -1.43 0.43 116.57 116.58 3pmg h LYS 233 Ca -0.02 0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3pmg h LYS 233 Cb 0.44 0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 3pmg h LYS 233 CO 0.03 -0.62 0.36 -0.22 -0.57 0.00 0.00 179.45 178.43 3pmg h LYS 234 N -0.96 0.86 0.00 3.15 1.63 -1.15 0.27 116.57 120.36 3pmg h LYS 234 Ca -0.05 -0.09 -0.15 0.00 -0.85 0.00 0.00 60.65 59.51 3pmg h LYS 234 Cb 0.85 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.28 3pmg h LYS 234 CO -0.09 0.63 -1.10 -0.89 -3.45 0.00 0.00 179.45 174.55 3pmg n ILE 235 N -4.58 1.49 0.09 2.00 5.41 -0.51 -2.20 119.36 121.07 3pmg n ILE 235 Ca 0.04 0.04 -0.05 0.00 1.00 0.00 0.00 62.75 63.79 3pmg n ILE 235 Cb 0.07 -2.19 0.01 0.00 -0.71 0.00 0.00 39.64 36.83 3pmg n ILE 235 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3pmg h LEU 236 N -1.00 0.01 0.00 1.39 3.38 -0.29 0.41 115.31 119.21 3pmg h LEU 236 Ca -0.23 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.60 3pmg h LEU 236 Cb 1.01 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 3pmg h LEU 236 CO -0.14 0.84 -1.26 0.00 0.09 0.00 0.00 178.44 177.97 3pmg h GLU 238 N -1.00 -0.32 0.14 0.00 5.08 -0.63 -1.26 114.58 116.59 3pmg h GLU 238 Ca -0.19 0.02 -0.26 0.00 -1.00 0.00 0.00 59.36 57.93 3pmg h GLU 238 Cb 1.05 0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.39 3pmg h GLU 238 CO -0.12 -0.07 -1.23 1.49 -1.00 0.00 0.00 179.01 178.09 3pmg h GLU 239 N -0.55 0.30 -0.00 2.33 4.81 -1.38 -3.36 114.58 116.73 3pmg h GLU 239 Ca -0.03 -0.52 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 3pmg h GLU 239 Cb 0.40 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.98 3pmg h GLU 239 CO 0.06 1.25 -0.28 1.28 -0.73 0.00 0.00 179.01 180.58 3pmg n LEU 240 N -3.95 0.31 0.00 1.64 4.77 0.13 -4.95 117.00 114.94 3pmg n LEU 240 Ca -0.20 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3pmg n LEU 240 Cb 0.91 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3pmg n LEU 240 CO 0.46 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 3pmg n GLY 241 N 1.49 0.72 3.74 -0.72 0.00 -0.48 -4.37 105.19 105.57 3pmg n GLY 241 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3pmg n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3pmg s ALA 242 N -2.20 3.66 0.46 4.61 0.00 -0.24 -4.57 121.76 123.48 3pmg s ALA 242 Ca 0.00 1.32 -0.20 0.00 0.00 0.00 0.00 51.96 53.08 3pmg s ALA 242 Cb 0.00 -3.57 -0.13 0.00 0.00 0.00 0.00 23.12 19.42 3pmg s ALA 242 CO 0.00 -0.74 0.28 -2.30 0.00 0.00 0.00 175.76 173.00 3pmg n PRO 243 N 2.85 0.29 0.15 0.00 -0.02 -1.26 -4.41 135.00 132.60 3pmg n PRO 243 Ca 0.09 0.11 0.18 0.00 -2.02 0.00 0.00 63.50 61.86 3pmg n PRO 243 Cb 0.40 -1.30 0.79 0.00 -0.02 0.00 0.00 33.50 33.37 3pmg n PRO 243 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3pmg h ALA 244 N 0.40 1.96 0.00 3.55 0.00 -1.94 -1.25 119.26 121.98 3pmg h ALA 244 Ca -0.40 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 3pmg h ALA 244 Cb 1.42 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 3pmg h ALA 244 CO 0.47 -0.45 -0.08 -0.91 0.00 0.00 0.00 179.25 178.28 3pmg h ASN 245 N 0.00 0.00 0.07 0.00 2.35 -1.99 -3.05 115.58 112.96 3pmg h ASN 245 Ca 0.14 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 3pmg h ASN 245 Cb 0.74 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 3pmg h ASN 245 CO -0.00 0.08 -0.09 0.28 -1.65 0.00 0.00 177.43 176.05 3pmg h SER 246 N 0.00 0.05 -3.68 5.81 0.02 -1.47 -3.41 113.55 110.87 3pmg h SER 246 Ca -0.00 -0.01 -0.65 0.00 -0.84 0.00 0.00 61.79 60.30 3pmg h SER 246 Cb 0.14 -0.01 -0.16 0.00 0.14 0.00 0.00 62.40 62.51 3pmg h SER 246 CO 0.01 0.15 -0.24 0.00 -1.14 0.00 0.00 176.83 175.62 3pmg s ALA 247 N -4.85 3.52 0.12 3.77 0.00 -1.15 -0.61 121.76 122.56 3pmg s ALA 247 Ca -0.05 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 50.94 3pmg s ALA 247 Cb 0.16 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 3pmg s ALA 247 CO 0.69 -0.92 0.05 0.08 0.00 0.00 0.00 175.76 175.66 3pmg s VAL 248 N 2.09 4.20 -1.71 0.00 1.01 0.38 -4.70 120.40 121.67 3pmg s VAL 248 Ca 0.14 -1.03 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 3pmg s VAL 248 Cb -0.16 -3.06 0.16 0.00 0.00 0.00 0.00 36.38 33.32 3pmg s VAL 248 CO 0.11 0.03 0.72 0.59 0.00 0.00 0.00 175.10 176.55 3pmg n ASN 249 N 0.21 -2.79 -1.83 3.32 3.02 -1.26 -1.87 115.26 114.07 3pmg n ASN 249 Ca -0.09 -1.06 0.01 0.00 -0.03 0.00 0.00 54.58 53.41 3pmg n ASN 249 Cb 0.53 -2.57 0.33 0.00 -0.61 0.00 0.00 39.78 37.46 3pmg n ASN 249 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3pmg s VAL 251 N -2.66 2.64 -0.31 0.00 1.01 -1.26 -3.77 120.40 116.05 3pmg s VAL 251 Ca 0.49 -1.65 -0.36 0.00 0.00 0.00 0.00 61.98 60.46 3pmg s VAL 251 Cb 0.39 -2.61 -0.12 0.00 0.00 0.00 0.00 36.38 34.03 3pmg s VAL 251 CO 0.13 -0.19 2.09 -2.65 0.00 0.00 0.00 175.10 174.48 3pmg n PRO 252 N 4.51 1.22 -3.83 2.72 -0.02 -1.26 -4.66 135.00 133.68 3pmg n PRO 252 Ca -0.10 0.37 -0.36 0.00 -2.02 0.00 0.00 63.50 61.39 3pmg n PRO 252 Cb 0.43 -2.43 -0.06 0.00 -0.02 0.00 0.00 33.50 31.42 3pmg n PRO 252 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3pmg s LEU 253 N 6.37 4.39 0.56 2.45 1.43 -0.60 -4.99 118.68 128.29 3pmg s LEU 253 Ca 1.06 0.51 0.27 0.00 -1.03 0.00 0.00 54.13 54.95 3pmg s LEU 253 Cb -0.87 -2.32 1.48 0.00 0.03 0.00 0.00 46.19 44.51 3pmg s LEU 253 CO 0.52 0.35 1.98 -0.33 0.23 0.00 0.00 176.35 179.10 3pmg h GLU 254 N 4.58 0.00 -0.27 1.70 5.08 -1.89 -0.95 114.58 122.83 3pmg h GLU 254 Ca -0.53 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 3pmg h GLU 254 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3pmg h GLU 254 CO 0.62 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.23 3pmg n ASP 255 N -4.05 3.69 -3.26 1.42 5.68 -1.26 0.40 116.55 119.17 3pmg n ASP 255 Ca 0.08 -2.84 -0.21 0.00 -0.50 0.00 0.00 54.79 51.32 3pmg n ASP 255 Cb 0.59 -0.49 -0.01 0.00 -1.14 0.00 0.00 41.12 40.08 3pmg n ASP 255 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3pmg n PHE 256 N -0.35 -1.73 -3.45 2.11 3.72 -0.36 0.44 117.46 117.84 3pmg n PHE 256 Ca 0.19 0.40 -0.20 0.00 -0.05 0.00 0.00 57.45 57.80 3pmg n PHE 256 Cb 0.81 -2.77 0.08 0.00 -0.94 0.00 0.00 39.48 36.66 3pmg n PHE 256 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3pmg n GLY 257 N -1.09 -0.39 3.40 1.37 0.00 -1.26 -2.94 105.19 104.28 3pmg n GLY 257 Ca -0.02 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3pmg n GLY 257 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pmg n GLY 258 N -1.60 0.30 3.31 -0.02 0.00 0.17 -4.98 105.19 102.37 3pmg n GLY 258 Ca -0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 3pmg n GLY 258 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3pmg s HIS 259 N -1.86 1.52 0.04 1.61 5.65 -1.15 -5.11 115.29 115.99 3pmg s HIS 259 Ca 0.00 -0.66 -0.31 0.00 0.25 0.00 0.00 55.06 54.34 3pmg s HIS 259 Cb 0.00 -0.74 -0.07 0.00 -1.18 0.00 0.00 32.58 30.60 3pmg s HIS 259 CO 0.00 0.23 1.45 -1.01 -0.65 0.00 0.00 174.74 174.76 3pmg s HIS 260 N -3.13 2.85 -1.36 3.88 0.09 -1.26 -4.65 115.29 111.70 3pmg s HIS 260 Ca 0.20 0.74 -0.16 0.00 -0.00 0.00 0.00 55.06 55.85 3pmg s HIS 260 Cb 0.01 -3.73 0.07 0.00 -0.00 0.00 0.00 32.58 28.92 3pmg s HIS 260 CO 0.04 -2.74 1.94 -0.35 -0.00 0.00 0.00 174.74 173.63 3pmg n PRO 261 N 5.08 3.09 -4.05 8.40 -0.04 -1.25 -4.89 135.00 141.34 3pmg n PRO 261 Ca 0.13 -3.04 -0.31 0.00 -0.04 0.00 0.00 63.50 60.23 3pmg n PRO 261 Cb 0.43 -3.35 -0.16 0.00 -0.04 0.00 0.00 33.50 30.38 3pmg n PRO 261 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3pmg s ASP 262 N 3.52 3.55 -0.04 3.54 2.15 -1.26 -1.61 116.67 126.52 3pmg s ASP 262 Ca 0.50 -0.93 -0.22 0.00 0.43 0.00 0.00 52.55 52.33 3pmg s ASP 262 Cb 0.08 -1.37 -0.26 0.00 -0.30 0.00 0.00 42.92 41.06 3pmg s ASP 262 CO -0.00 -0.11 1.44 -0.81 -0.17 0.00 0.00 175.17 175.52 3pmg n PRO 263 N 4.61 0.07 -3.73 4.34 -0.04 -1.26 -3.96 135.00 135.03 3pmg n PRO 263 Ca -0.16 -0.89 -0.11 0.00 -0.04 0.00 0.00 63.50 62.30 3pmg n PRO 263 Cb 0.46 -2.37 -0.06 0.00 -0.04 0.00 0.00 33.50 31.49 3pmg n PRO 263 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3pmg s ASN 264 N 6.34 -0.11 0.50 3.54 2.20 -1.26 -4.59 114.94 121.56 3pmg s ASN 264 Ca 0.49 -0.34 0.39 0.00 -0.94 0.00 0.00 52.86 52.46 3pmg s ASN 264 Cb 0.11 0.40 1.56 0.00 -2.00 0.00 0.00 41.25 41.31 3pmg s ASN 264 CO 0.24 -0.73 1.64 -0.07 -2.94 0.00 0.00 177.10 175.24 3pmg h LEU 265 N 2.79 0.11 0.00 3.54 3.38 -1.90 0.12 115.31 123.35 3pmg h LEU 265 Ca -0.33 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3pmg h LEU 265 Cb 1.22 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3pmg h LEU 265 CO 0.49 -0.07 0.00 0.41 0.09 0.00 0.00 178.44 179.35 3pmg n THR 266 N -4.31 0.00 0.22 0.22 -1.04 -1.26 -3.57 114.28 104.53 3pmg n THR 266 Ca 0.38 0.67 0.07 0.00 -2.04 0.00 0.00 64.05 63.12 3pmg n THR 266 Cb 1.61 -1.49 0.57 0.00 -1.82 0.00 0.00 70.33 69.20 3pmg n THR 266 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 3pmg h TYR 267 N 0.00 0.07 -1.83 -1.42 0.05 -1.31 -2.89 116.97 109.63 3pmg h TYR 267 Ca 0.00 -0.00 -0.69 0.00 0.05 0.00 0.00 58.73 58.09 3pmg h TYR 267 Cb 0.00 -0.02 -0.34 0.00 1.01 0.00 0.00 36.73 37.38 3pmg h TYR 267 CO 0.05 0.10 0.29 0.00 -1.05 0.00 0.00 178.16 177.55 3pmg n ALA 268 N -2.52 5.86 -0.01 3.88 0.00 0.24 -4.76 120.51 123.21 3pmg n ALA 268 Ca -0.02 -4.24 -0.05 0.00 0.00 0.00 0.00 53.44 49.12 3pmg n ALA 268 Cb 0.14 -1.38 0.15 0.00 0.00 0.00 0.00 19.45 18.36 3pmg n ALA 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3pmg h ALA 269 N 2.88 0.99 -0.31 0.00 0.00 -1.56 -3.10 119.26 118.15 3pmg h ALA 269 Ca 0.45 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3pmg h ALA 269 Cb 0.41 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3pmg h ALA 269 CO 1.17 0.60 -0.01 -0.44 0.00 0.00 0.00 179.25 180.58 3pmg h ASP 270 N 0.47 -0.14 -0.72 0.00 3.32 -1.90 0.97 116.42 118.43 3pmg h ASP 270 Ca 0.06 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.22 3pmg h ASP 270 Cb 0.76 0.13 -0.05 0.00 0.22 0.00 0.00 39.33 40.39 3pmg h ASP 270 CO 0.06 -0.03 0.44 0.25 -1.72 0.00 0.00 179.24 178.24 3pmg h LEU 271 N 0.08 0.72 -0.38 1.55 5.85 -1.96 -0.89 115.31 120.29 3pmg h LEU 271 Ca 0.15 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.89 3pmg h LEU 271 Cb 0.20 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3pmg h LEU 271 CO -0.26 0.49 0.24 0.58 -0.34 0.00 0.00 178.44 179.15 3pmg h VAL 272 N 0.85 1.07 -0.76 1.05 2.07 -1.21 -0.28 116.25 119.04 3pmg h VAL 272 Ca 0.30 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.60 3pmg h VAL 272 Cb 0.06 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3pmg h VAL 272 CO -0.13 0.09 0.28 -0.33 0.02 0.00 0.00 177.57 177.51 3pmg h GLU 273 N 0.48 1.15 -0.59 1.57 4.39 -0.49 -2.45 114.58 118.63 3pmg h GLU 273 Ca 0.14 -0.22 0.04 0.00 0.34 0.00 0.00 59.36 59.67 3pmg h GLU 273 Cb -0.03 -0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 28.40 3pmg h GLU 273 CO -0.05 0.95 0.34 1.15 -1.16 0.00 0.00 179.01 180.23 3pmg h THR 274 N 1.10 1.01 -0.04 1.13 2.02 -0.52 -2.53 112.91 115.08 3pmg h THR 274 Ca 0.25 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 3pmg h THR 274 Cb 0.24 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3pmg h THR 274 CO -0.02 0.12 -0.09 0.24 0.37 0.00 0.00 175.52 176.14 3pmg h MET 275 N 0.65 0.06 -0.85 6.66 2.86 -0.72 -3.18 114.93 120.40 3pmg h MET 275 Ca 0.25 -0.01 0.14 0.00 -2.06 0.00 0.00 59.70 58.03 3pmg h MET 275 Cb 0.11 -0.01 -0.09 0.00 0.06 0.00 0.00 31.60 31.66 3pmg h MET 275 CO -0.14 0.16 0.44 0.87 1.06 0.00 0.00 176.91 179.30 3pmg h LYS 276 N 0.06 0.62 0.00 1.72 1.79 -0.99 -2.78 116.57 116.99 3pmg h LYS 276 Ca 0.01 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3pmg h LYS 276 Cb 0.20 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 3pmg h LYS 276 CO 0.01 0.41 0.02 -1.13 -1.08 0.00 0.00 179.45 177.68 3pmg n SER 277 N -4.86 0.25 0.00 0.86 3.41 -1.20 -4.58 113.62 107.50 3pmg n SER 277 Ca 0.17 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.38 3pmg n SER 277 Cb 0.42 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 3pmg n SER 277 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3pmg n GLY 278 N -1.40 1.75 0.23 5.00 0.00 -1.14 -4.94 105.19 104.68 3pmg n GLY 278 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3pmg n GLY 278 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3pmg h GLU 279 N 2.89 0.70 -6.03 1.61 5.08 -1.88 -3.46 114.58 113.48 3pmg h GLU 279 Ca 0.00 -0.44 -0.60 0.00 -1.00 0.00 0.00 59.36 57.32 3pmg h GLU 279 Cb 0.00 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 3pmg h GLU 279 CO 0.00 1.06 -0.38 -1.01 -1.00 0.00 0.00 179.01 177.69 3pmg s HIS 280 N -4.05 3.52 -0.21 4.33 3.76 -1.26 -4.87 115.29 116.50 3pmg s HIS 280 Ca -0.09 0.50 0.20 0.00 -0.15 0.00 0.00 55.06 55.52 3pmg s HIS 280 Cb 0.11 -1.95 -0.01 0.00 1.11 0.00 0.00 32.58 31.84 3pmg s HIS 280 CO 0.86 0.52 1.04 -0.44 -0.85 0.00 0.00 174.74 175.88 3pmg h ASP 281 N 3.25 0.00 -4.70 1.40 3.32 -0.94 -3.38 116.42 115.37 3pmg h ASP 281 Ca -0.47 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.51 3pmg h ASP 281 Cb 1.17 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.52 3pmg h ASP 281 CO 0.71 0.20 0.03 0.12 -1.72 0.00 0.00 179.24 178.59 3pmg s PHE 282 N -3.20 -0.56 0.09 4.55 2.19 -1.11 -2.92 117.98 117.02 3pmg s PHE 282 Ca -0.00 1.08 -0.09 0.00 0.33 0.00 0.00 56.93 58.25 3pmg s PHE 282 Cb 0.09 0.29 0.00 0.00 -1.31 0.00 0.00 43.02 42.09 3pmg s PHE 282 CO 0.78 -0.48 0.20 0.20 1.83 0.00 0.00 175.22 177.76 3pmg s GLY 283 N -0.79 0.06 -0.12 13.12 0.00 -0.04 -1.72 107.32 117.83 3pmg s GLY 283 Ca -0.08 -0.56 -0.30 0.00 0.00 0.00 0.00 44.72 43.77 3pmg s GLY 283 CO 0.06 -0.75 0.81 0.00 0.00 0.00 0.00 173.10 173.21 3pmg s ALA 284 N -3.80 -1.84 0.12 3.20 0.00 -0.93 -1.38 121.76 117.14 3pmg s ALA 284 Ca 0.04 1.49 0.08 0.00 0.00 0.00 0.00 51.96 53.57 3pmg s ALA 284 Cb 0.04 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 3pmg s ALA 284 CO -0.11 -0.34 -0.18 0.00 0.00 0.00 0.00 175.76 175.13 3pmg s ALA 285 N -0.97 1.73 0.19 0.00 0.00 -0.99 -0.42 121.76 121.30 3pmg s ALA 285 Ca -0.06 -1.29 0.06 0.00 0.00 0.00 0.00 51.96 50.66 3pmg s ALA 285 Cb -0.01 -0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 3pmg s ALA 285 CO 0.06 0.26 -0.10 -0.06 0.00 0.00 0.00 175.76 175.92 3pmg s PHE 286 N -1.56 1.50 0.90 0.00 0.08 -1.15 -2.10 117.98 115.64 3pmg s PHE 286 Ca 0.08 -0.71 -0.13 0.00 0.12 0.00 0.00 56.93 56.29 3pmg s PHE 286 Cb -0.08 -0.76 0.17 0.00 -0.57 0.00 0.00 43.02 41.79 3pmg s PHE 286 CO 0.04 0.17 1.25 0.16 -0.10 0.00 0.00 175.22 176.75 3pmg s ASP 287 N -3.25 3.47 0.23 1.36 -4.77 -1.09 -4.23 116.67 108.39 3pmg s ASP 287 Ca 0.21 0.21 -0.10 0.00 -3.30 0.00 0.00 52.55 49.57 3pmg s ASP 287 Cb 0.02 -0.36 0.35 0.00 -1.09 0.00 0.00 42.92 41.83 3pmg s ASP 287 CO 0.04 -2.50 1.62 1.23 0.70 0.00 0.00 175.17 176.27 3pmg h GLY 288 N -1.39 0.65 -2.73 2.12 0.00 -1.65 -2.54 103.07 97.53 3pmg h GLY 288 Ca -0.43 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3pmg h GLY 288 CO 0.41 -0.28 0.00 2.09 0.00 0.00 0.00 176.54 178.77 3pmg n ASP 289 N -5.42 4.12 0.00 0.19 5.75 -1.26 -1.10 116.55 118.83 3pmg n ASP 289 Ca 0.11 -2.26 0.00 0.00 -0.01 0.00 0.00 54.79 52.63 3pmg n ASP 289 Cb 0.41 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 3pmg n ASP 289 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3pmg n GLY 290 N 1.26 1.69 0.17 6.12 0.00 -0.96 -0.92 105.19 112.55 3pmg n GLY 290 Ca 0.23 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.30 3pmg n GLY 290 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3pmg n ASP 291 N 0.00 0.49 -4.14 1.61 5.75 -1.26 -0.70 116.55 118.31 3pmg n ASP 291 Ca 0.00 -1.80 -0.13 0.00 -0.01 0.00 0.00 54.79 52.85 3pmg n ASP 291 Cb 0.00 -0.05 -0.11 0.00 -1.03 0.00 0.00 41.12 39.93 3pmg n ASP 291 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3pmg s ARG 292 N -1.90 0.74 0.14 0.11 0.52 -1.26 -3.37 118.95 113.93 3pmg s ARG 292 Ca 0.15 -1.07 -0.11 0.00 -0.52 0.00 0.00 55.73 54.18 3pmg s ARG 292 Cb 0.08 -0.37 0.01 0.00 0.52 0.00 0.00 34.95 35.18 3pmg s ARG 292 CO 0.12 0.05 0.32 0.54 0.02 0.00 0.00 175.30 176.34 3pmg s ASN 293 N -2.30 -0.03 -0.04 0.23 4.22 -0.79 -2.68 114.94 113.55 3pmg s ASN 293 Ca 0.02 -0.66 -0.01 0.00 -2.14 0.00 0.00 52.86 50.07 3pmg s ASN 293 Cb -0.03 0.44 0.03 0.00 1.28 0.00 0.00 41.25 42.97 3pmg s ASN 293 CO -0.01 -0.87 0.04 -0.32 -2.04 0.00 0.00 177.10 173.90 3pmg s MET 294 N -3.90 0.03 -0.15 3.55 1.75 -0.89 -4.68 119.30 115.00 3pmg s MET 294 Ca 0.10 0.27 -0.07 0.00 -1.25 0.00 0.00 55.69 54.75 3pmg s MET 294 Cb 0.03 -0.47 -0.04 0.00 2.84 0.00 0.00 34.83 37.19 3pmg s MET 294 CO -0.05 -0.26 0.08 0.42 -0.65 0.00 0.00 175.02 174.56 3pmg s ILE 295 N 1.70 4.94 -0.01 10.11 -1.09 -1.26 -2.35 121.20 133.25 3pmg s ILE 295 Ca -0.01 0.01 0.03 0.00 -2.23 0.00 0.00 60.65 58.45 3pmg s ILE 295 Cb -0.12 -3.19 -0.01 0.00 -1.58 0.00 0.00 42.46 37.56 3pmg s ILE 295 CO -0.03 0.52 -0.11 -0.76 -1.23 0.00 0.00 174.94 173.34 3pmg s LEU 296 N -0.20 1.97 0.67 2.97 1.43 -0.48 -1.96 118.68 123.08 3pmg s LEU 296 Ca 0.08 -0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.01 3pmg s LEU 296 Cb -0.12 -0.58 0.12 0.00 0.03 0.00 0.00 46.19 45.64 3pmg s LEU 296 CO 0.01 0.12 0.93 -0.83 0.23 0.00 0.00 176.35 176.81 3pmg s GLY 297 N -0.15 1.75 0.23 -3.19 0.00 0.12 -0.86 107.32 105.21 3pmg s GLY 297 Ca 0.02 -1.89 -0.31 0.00 0.00 0.00 0.00 44.72 42.54 3pmg s GLY 297 CO -0.00 -1.36 1.54 1.25 0.00 0.00 0.00 173.10 174.53 3pmg s LYS 298 N -4.98 4.21 0.00 2.90 2.20 -1.15 -1.68 119.74 121.23 3pmg s LYS 298 Ca 0.65 2.41 0.00 0.00 -0.36 0.00 0.00 55.97 58.67 3pmg s LYS 298 Cb -0.05 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.17 3pmg s LYS 298 CO 0.43 -0.55 0.00 0.72 -0.36 0.00 0.00 175.35 175.58 3pmg n HIS 299 N 2.91 0.00 0.00 4.03 8.25 -1.06 -3.71 115.22 125.64 3pmg n HIS 299 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 3pmg n HIS 299 Cb 0.39 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.50 3pmg n HIS 299 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3pmg n GLY 300 N -2.00 0.69 3.29 -1.41 0.00 -0.68 -3.66 105.19 101.41 3pmg n GLY 300 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.43 3pmg n GLY 300 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3pmg n PHE 301 N -1.25 1.24 -2.59 1.61 -0.00 -1.22 -4.62 117.46 110.63 3pmg n PHE 301 Ca 0.00 0.71 -0.41 0.00 -0.00 0.00 0.00 57.45 57.75 3pmg n PHE 301 Cb 0.00 -2.32 -0.04 0.00 -0.00 0.00 0.00 39.48 37.12 3pmg n PHE 301 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.76 176.88 3pmg s PHE 302 N 6.10 3.63 -0.25 -5.13 5.36 -1.26 -0.70 117.98 125.73 3pmg s PHE 302 Ca 1.18 1.61 -0.07 0.00 -0.96 0.00 0.00 56.93 58.69 3pmg s PHE 302 Cb -1.41 -3.21 -0.02 0.00 -0.34 0.00 0.00 43.02 38.03 3pmg s PHE 302 CO 0.64 -0.41 0.05 0.08 -1.46 0.00 0.00 175.22 174.13 3pmg s VAL 303 N 0.41 4.13 0.23 3.12 1.01 -0.83 -4.95 120.40 123.52 3pmg s VAL 303 Ca 0.51 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 3pmg s VAL 303 Cb -0.26 -2.94 -0.09 0.00 0.00 0.00 0.00 36.38 33.09 3pmg s VAL 303 CO 0.31 0.33 1.29 0.21 0.00 0.00 0.00 175.10 177.24 3pmg s ASN 304 N 1.58 6.91 0.48 3.32 3.84 -1.26 -4.48 114.94 125.33 3pmg s ASN 304 Ca 0.06 2.45 0.28 0.00 0.21 0.00 0.00 52.86 55.86 3pmg s ASN 304 Cb -0.15 -2.62 1.35 0.00 -0.55 0.00 0.00 41.25 39.28 3pmg s ASN 304 CO 0.02 -0.49 1.81 -0.65 -2.79 0.00 0.00 177.10 175.00 3pmg h PRO 305 N 4.81 0.17 -0.05 0.43 0.11 -1.89 0.44 132.00 136.01 3pmg h PRO 305 Ca -0.46 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.46 3pmg h PRO 305 Cb 1.22 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3pmg h PRO 305 CO 0.74 0.11 -0.74 0.77 -0.21 0.00 0.00 178.00 178.66 3pmg h SER 306 N 0.17 0.37 -0.11 -2.05 0.02 -1.84 -2.89 113.55 107.22 3pmg h SER 306 Ca 0.55 -0.25 -0.21 0.00 -0.84 0.00 0.00 61.79 61.04 3pmg h SER 306 Cb 1.84 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 64.28 3pmg h SER 306 CO -0.13 0.99 -0.75 0.44 -1.14 0.00 0.00 176.83 176.24 3pmg h ASP 307 N 0.20 0.89 -0.46 3.07 5.19 -0.56 -3.22 116.42 121.54 3pmg h ASP 307 Ca -0.03 -0.57 0.01 0.00 -0.62 0.00 0.00 57.03 55.82 3pmg h ASP 307 Cb 1.32 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.54 3pmg h ASP 307 CO 0.12 1.36 0.30 -1.28 -3.12 0.00 0.00 179.24 176.62 3pmg h SER 308 N 0.52 0.50 -0.98 6.45 0.87 -1.11 0.14 113.55 119.95 3pmg h SER 308 Ca -0.04 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.51 3pmg h SER 308 Cb 1.37 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 63.16 3pmg h SER 308 CO 0.15 0.36 0.64 0.58 -0.53 0.00 0.00 176.83 178.03 3pmg h VAL 309 N 0.60 1.26 -0.33 2.23 2.07 -1.61 -2.23 116.25 118.24 3pmg h VAL 309 Ca 0.17 -0.48 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 3pmg h VAL 309 Cb -0.05 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.53 3pmg h VAL 309 CO -0.05 0.25 -0.01 0.00 0.02 0.00 0.00 177.57 177.79 3pmg h ALA 310 N 1.35 0.44 -0.23 1.67 0.00 -1.19 -1.80 119.26 119.51 3pmg h ALA 310 Ca 0.36 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3pmg h ALA 310 Cb -0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3pmg h ALA 310 CO -0.08 0.21 0.10 0.28 0.00 0.00 0.00 179.25 179.76 3pmg h VAL 311 N 0.39 1.16 -0.70 0.00 2.07 -0.57 0.23 116.25 118.83 3pmg h VAL 311 Ca 0.09 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 3pmg h VAL 311 Cb 0.46 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3pmg h VAL 311 CO 0.02 0.16 0.39 0.40 0.02 0.00 0.00 177.57 178.55 3pmg h ILE 312 N 0.22 1.21 -0.35 4.57 2.04 -1.43 -1.52 117.51 122.24 3pmg h ILE 312 Ca 0.08 -0.51 -0.08 0.00 1.00 0.00 0.00 64.86 65.34 3pmg h ILE 312 Cb 0.16 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3pmg h ILE 312 CO -0.01 0.23 -0.09 0.00 0.00 0.00 0.00 178.15 178.28 3pmg h ALA 313 N 1.45 0.48 0.00 1.87 0.00 -0.81 0.16 119.26 122.42 3pmg h ALA 313 Ca 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3pmg h ALA 313 Cb 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3pmg h ALA 313 CO -0.04 0.34 -0.07 0.00 0.00 0.00 0.00 179.25 179.48 3pmg h ALA 314 N 0.81 1.00 -0.02 0.00 0.00 -0.14 -3.22 119.26 117.70 3pmg h ALA 314 Ca 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3pmg h ALA 314 Cb 0.60 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3pmg h ALA 314 CO 0.04 0.08 -0.31 0.09 0.00 0.00 0.00 179.25 179.15 3pmg n ASN 315 N -3.18 1.99 0.31 0.00 3.02 -0.61 -4.86 115.26 111.94 3pmg n ASN 315 Ca 0.01 -3.62 0.18 0.00 -0.03 0.00 0.00 54.58 51.12 3pmg n ASN 315 Cb 0.37 -0.50 1.01 0.00 -0.61 0.00 0.00 39.78 40.05 3pmg n ASN 315 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3pmg h ILE 316 N 0.69 0.27 -0.01 2.41 2.10 -0.99 -2.21 117.51 119.77 3pmg h ILE 316 Ca 0.01 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 65.84 3pmg h ILE 316 Cb 1.04 1.08 0.00 0.00 -1.09 0.00 0.00 36.82 37.85 3pmg h ILE 316 CO 0.02 0.02 -0.00 0.49 -1.08 0.00 0.00 178.15 177.59 3pmg n PHE 317 N -3.44 0.00 0.27 2.19 3.72 -1.26 -2.68 117.46 116.26 3pmg n PHE 317 Ca -0.03 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.54 3pmg n PHE 317 Cb 0.11 -0.01 0.64 0.00 -0.94 0.00 0.00 39.48 39.29 3pmg n PHE 317 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3pmg h SER 318 N 0.94 0.00 -3.67 4.37 0.02 -1.79 -3.42 113.55 109.99 3pmg h SER 318 Ca 0.00 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.30 3pmg h SER 318 Cb 0.21 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.59 3pmg h SER 318 CO 0.00 0.03 -0.22 -0.63 -1.14 0.00 0.00 176.83 174.87 3pmg s ILE 319 N -3.66 5.14 0.25 3.27 1.01 -1.09 -4.87 121.20 121.25 3pmg s ILE 319 Ca 0.01 0.27 -0.12 0.00 0.00 0.00 0.00 60.65 60.81 3pmg s ILE 319 Cb 0.09 -3.81 0.36 0.00 0.01 0.00 0.00 42.46 39.10 3pmg s ILE 319 CO 0.56 -0.04 1.56 -0.65 0.00 0.00 0.00 174.94 176.37 3pmg h PRO 320 N 8.38 -0.01 -0.77 2.79 0.11 -1.81 -1.80 132.00 138.89 3pmg h PRO 320 Ca -0.30 0.00 0.17 0.00 0.11 0.00 0.00 66.00 65.98 3pmg h PRO 320 Cb 1.15 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.12 3pmg h PRO 320 CO 0.69 -0.01 -0.10 -0.92 -0.21 0.00 0.00 178.00 177.46 3pmg h TYR 321 N -0.01 -0.24 0.00 0.65 3.20 -1.44 -0.40 116.97 118.72 3pmg h TYR 321 Ca 0.41 0.06 -0.15 0.00 3.14 0.00 0.00 58.73 62.19 3pmg h TYR 321 Cb 0.66 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 3pmg h TYR 321 CO -0.77 -0.30 -0.72 0.74 -1.64 0.00 0.00 178.16 175.47 3pmg h PHE 322 N 0.04 0.00 -0.50 -3.82 0.04 -1.59 -1.77 116.94 109.33 3pmg h PHE 322 Ca 0.40 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.11 3pmg h PHE 322 Cb 0.66 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.79 3pmg h PHE 322 CO -0.53 0.72 0.08 0.37 -0.60 0.00 0.00 178.31 178.36 3pmg h GLN 323 N 0.00 0.79 0.00 1.51 4.15 -0.74 0.52 115.11 121.34 3pmg h GLN 323 Ca -0.01 -0.18 -0.27 0.00 0.77 0.00 0.00 58.65 58.97 3pmg h GLN 323 Cb 1.43 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.96 3pmg h GLN 323 CO 0.09 0.74 -2.06 1.04 -1.93 0.00 0.00 178.83 176.72 3pmg n GLN 324 N -4.26 0.66 -0.06 1.69 6.02 -0.28 -4.49 117.38 116.67 3pmg n GLN 324 Ca 0.03 0.05 -0.09 0.00 -0.01 0.00 0.00 57.00 56.98 3pmg n GLN 324 Cb 0.25 -1.61 -0.15 0.00 1.02 0.00 0.00 30.24 29.75 3pmg n GLN 324 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3pmg n THR 325 N -2.74 1.50 0.00 5.09 -1.04 -0.67 -5.11 114.28 111.31 3pmg n THR 325 Ca -0.22 -0.82 0.00 0.00 -2.04 0.00 0.00 64.05 60.97 3pmg n THR 325 Cb 1.00 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 3pmg n THR 325 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3pmg n GLY 326 N 1.64 -1.26 3.31 3.41 0.00 0.18 -4.89 105.19 107.58 3pmg n GLY 326 Ca -0.24 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 3pmg n GLY 326 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pmg s VAL 327 N -2.37 4.03 0.10 1.61 1.01 -1.26 -4.77 120.40 118.75 3pmg s VAL 327 Ca 0.00 -1.02 0.33 0.00 0.00 0.00 0.00 61.98 61.29 3pmg s VAL 327 Cb 0.00 -3.25 0.36 0.00 0.00 0.00 0.00 36.38 33.49 3pmg s VAL 327 CO 0.00 -0.18 2.00 0.03 0.00 0.00 0.00 175.10 176.96 3pmg h ARG 328 N 8.28 0.00 0.00 2.72 2.47 -1.88 -3.48 114.38 122.50 3pmg h ARG 328 Ca -0.24 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.48 3pmg h ARG 328 Cb 1.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.41 3pmg h ARG 328 CO 0.62 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.56 3pmg n GLY 329 N -0.37 2.69 3.63 0.04 0.00 -1.24 -4.16 105.19 105.79 3pmg n GLY 329 Ca -0.00 -1.14 -0.23 0.00 0.00 0.00 0.00 46.02 44.65 3pmg n GLY 329 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3pmg s PHE 330 N -2.00 2.66 -0.17 1.61 0.08 0.14 -0.50 117.98 119.81 3pmg s PHE 330 Ca 0.00 -0.23 -0.28 0.00 0.12 0.00 0.00 56.93 56.54 3pmg s PHE 330 Cb 0.00 -1.18 0.07 0.00 -0.57 0.00 0.00 43.02 41.34 3pmg s PHE 330 CO 0.00 0.63 0.72 0.00 -0.10 0.00 0.00 175.22 176.47 3pmg s ALA 331 N -2.32 -1.79 0.02 5.36 0.00 -0.94 -1.28 121.76 120.81 3pmg s ALA 331 Ca 0.31 1.69 0.00 0.00 0.00 0.00 0.00 51.96 53.97 3pmg s ALA 331 Cb -0.06 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 3pmg s ALA 331 CO 0.19 -0.35 -0.02 -0.98 0.00 0.00 0.00 175.76 174.60 3pmg s ARG 332 N -0.37 0.25 0.65 0.00 1.70 -1.00 -1.39 118.95 118.79 3pmg s ARG 332 Ca -0.05 -0.47 -0.16 0.00 -0.47 0.00 0.00 55.73 54.58 3pmg s ARG 332 Cb -0.03 0.06 -0.00 0.00 -0.57 0.00 0.00 34.95 34.41 3pmg s ARG 332 CO 0.05 -0.03 1.14 -1.54 -1.08 0.00 0.00 175.30 173.83 3pmg s SER 333 N -1.11 5.03 0.33 -2.89 1.04 -1.12 -1.66 113.70 113.32 3pmg s SER 333 Ca -0.12 2.12 0.06 0.00 0.48 0.00 0.00 55.95 58.49 3pmg s SER 333 Cb -0.08 -2.57 0.71 0.00 0.10 0.00 0.00 66.02 64.19 3pmg s SER 333 CO -0.01 -1.69 1.86 -0.03 0.98 0.00 0.00 173.24 174.35 3pmg h MET 334 N 0.21 0.79 0.00 4.02 4.05 0.03 -2.26 114.93 121.78 3pmg h MET 334 Ca -0.48 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 58.90 3pmg h MET 334 Cb 1.26 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.88 3pmg h MET 334 CO 0.54 0.53 0.00 -2.30 0.23 0.00 0.00 176.91 175.90 3pmg n PRO 335 N -4.58 0.21 -2.20 0.39 -0.02 -1.26 -4.83 135.00 122.70 3pmg n PRO 335 Ca 0.18 0.44 -0.37 0.00 -2.02 0.00 0.00 63.50 61.72 3pmg n PRO 335 Cb 0.41 -1.90 -0.01 0.00 -0.02 0.00 0.00 33.50 31.99 3pmg n PRO 335 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3pmg s THR 336 N -3.34 2.98 0.92 3.45 2.01 -0.85 -4.90 115.64 115.91 3pmg s THR 336 Ca 0.04 0.76 -0.11 0.00 0.31 0.00 0.00 61.69 62.69 3pmg s THR 336 Cb 0.09 -3.39 0.11 0.00 0.01 0.00 0.00 72.50 69.32 3pmg s THR 336 CO 0.40 0.01 0.96 -1.54 -0.69 0.00 0.00 174.62 173.76 3pmg n SER 337 N -0.43 -0.26 -0.27 3.53 3.41 -1.26 -4.87 113.62 113.47 3pmg n SER 337 Ca 0.07 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 3pmg n SER 337 Cb 0.47 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.01 3pmg n SER 337 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3pmg n GLY 338 N 0.62 0.31 0.31 5.00 0.00 -1.26 -4.06 105.19 106.10 3pmg n GLY 338 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 3pmg n GLY 338 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3pmg h ALA 339 N 2.37 1.07 -0.02 4.61 0.00 -1.89 -0.53 119.26 124.86 3pmg h ALA 339 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3pmg h ALA 339 Cb 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3pmg h ALA 339 CO 0.00 0.31 -0.29 1.25 0.00 0.00 0.00 179.25 180.51 3pmg h LEU 340 N 0.98 0.04 -0.32 0.00 5.85 -1.79 -2.77 115.31 117.30 3pmg h LEU 340 Ca 0.33 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.95 3pmg h LEU 340 Cb 0.05 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3pmg h LEU 340 CO -0.13 0.34 -0.13 0.44 -0.34 0.00 0.00 178.44 178.62 3pmg h ASP 341 N 0.04 0.67 0.05 1.25 5.19 -1.40 -0.48 116.42 121.73 3pmg h ASP 341 Ca 0.00 -0.40 -0.00 0.00 -0.62 0.00 0.00 57.03 56.01 3pmg h ASP 341 Cb 0.54 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.87 3pmg h ASP 341 CO 0.04 0.91 -0.02 0.03 -3.12 0.00 0.00 179.24 177.08 3pmg h ARG 342 N 0.42 0.00 0.00 3.56 2.47 -1.10 0.14 114.38 119.87 3pmg h ARG 342 Ca 0.07 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.79 3pmg h ARG 342 Cb 0.65 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.97 3pmg h ARG 342 CO 0.04 0.02 -0.07 0.28 0.56 0.00 0.00 179.97 180.81 3pmg h VAL 343 N 0.00 0.70 -0.88 2.04 2.07 -1.47 -3.18 116.25 115.53 3pmg h VAL 343 Ca -0.00 -1.54 0.17 0.00 0.82 0.00 0.00 66.70 66.15 3pmg h VAL 343 Cb 0.05 1.33 -0.10 0.00 -1.52 0.00 0.00 31.29 31.06 3pmg h VAL 343 CO 0.00 0.24 0.46 0.00 0.02 0.00 0.00 177.57 178.29 3pmg h ALA 344 N -0.61 1.37 0.00 1.67 0.00 -0.74 -1.32 119.26 119.63 3pmg h ALA 344 Ca -0.01 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3pmg h ALA 344 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3pmg h ALA 344 CO -0.01 -0.13 -0.32 -0.91 0.00 0.00 0.00 179.25 177.88 3pmg h ASN 345 N 0.60 0.00 0.00 0.00 -0.26 -0.85 -0.53 115.58 114.55 3pmg h ASN 345 Ca 0.50 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.24 3pmg h ASN 345 Cb 0.77 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.03 3pmg h ASN 345 CO -0.40 0.32 0.00 0.00 -1.06 0.00 0.00 177.43 176.30 3pmg n ALA 346 N -2.43 2.18 -4.05 -0.83 0.00 -0.50 -4.82 120.51 110.07 3pmg n ALA 346 Ca -0.02 -0.08 -0.17 0.00 0.00 0.00 0.00 53.44 53.17 3pmg n ALA 346 Cb 0.38 -1.21 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 3pmg n ALA 346 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3pmg n THR 347 N -0.84 0.00 -0.80 0.00 -2.24 -0.21 -5.04 114.28 105.16 3pmg n THR 347 Ca 0.10 -1.50 0.08 0.00 -2.27 0.00 0.00 64.05 60.46 3pmg n THR 347 Cb 0.05 0.58 0.33 0.00 -2.10 0.00 0.00 70.33 69.18 3pmg n THR 347 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3pmg n LYS 348 N -0.55 3.82 -3.21 -0.78 5.02 -1.26 -4.94 118.16 116.25 3pmg n LYS 348 Ca -0.02 -2.90 -0.39 0.00 -2.02 0.00 0.00 58.31 52.97 3pmg n LYS 348 Cb 0.38 -1.95 -0.06 0.00 -0.02 0.00 0.00 35.03 33.38 3pmg n LYS 348 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3pmg s ILE 349 N -2.39 5.09 0.59 -0.18 1.01 -1.26 -5.06 121.20 119.00 3pmg s ILE 349 Ca 0.47 1.02 -0.20 0.00 0.00 0.00 0.00 60.65 61.95 3pmg s ILE 349 Cb 0.35 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 3pmg s ILE 349 CO 0.16 0.17 1.28 0.00 0.00 0.00 0.00 174.94 176.55 3pmg s ALA 350 N 1.61 2.59 -0.14 9.38 0.00 -1.26 -4.77 121.76 129.16 3pmg s ALA 350 Ca 0.26 1.16 0.02 0.00 0.00 0.00 0.00 51.96 53.40 3pmg s ALA 350 Cb -0.16 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.47 3pmg s ALA 350 CO 0.10 -1.33 -0.19 -1.17 0.00 0.00 0.00 175.76 173.16 3pmg s LEU 351 N -3.95 2.00 0.02 0.00 2.96 -1.26 -0.68 118.68 117.76 3pmg s LEU 351 Ca 0.77 -0.57 0.03 0.00 -0.22 0.00 0.00 54.13 54.14 3pmg s LEU 351 Cb -0.35 -1.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 3pmg s LEU 351 CO 0.39 0.04 -0.03 -0.31 -1.32 0.00 0.00 176.35 175.12 3pmg s TYR 352 N 1.03 2.98 -0.17 5.38 2.02 -0.40 -4.98 117.35 123.19 3pmg s TYR 352 Ca -0.03 0.01 0.01 0.00 -0.37 0.00 0.00 57.07 56.69 3pmg s TYR 352 Cb -0.15 -1.62 0.02 0.00 -0.40 0.00 0.00 41.96 39.82 3pmg s TYR 352 CO -0.05 0.43 -0.17 -2.00 -1.57 0.00 0.00 175.55 172.19 3pmg s GLU 353 N -1.62 2.64 0.35 -0.62 2.12 -1.26 -2.37 118.70 117.94 3pmg s GLU 353 Ca 0.19 -0.75 0.06 0.00 0.36 0.00 0.00 54.97 54.83 3pmg s GLU 353 Cb -0.11 -2.40 -0.07 0.00 0.26 0.00 0.00 34.13 31.81 3pmg s GLU 353 CO 0.10 -0.25 0.01 0.95 -0.54 0.00 0.00 175.26 175.53 3pmg s THR 354 N 1.36 1.68 1.19 -1.70 -4.23 -0.66 -4.79 115.64 108.48 3pmg s THR 354 Ca 0.04 -2.04 -0.14 0.00 -1.18 0.00 0.00 61.69 58.37 3pmg s THR 354 Cb -0.13 -2.81 0.29 0.00 1.34 0.00 0.00 72.50 71.19 3pmg s THR 354 CO -0.12 -0.07 1.02 -2.84 -0.54 0.00 0.00 174.62 172.08 3pmg s PRO 355 N -3.77 -1.09 0.32 3.99 0.02 -1.26 0.70 135.00 133.91 3pmg s PRO 355 Ca 0.34 0.68 -0.29 0.00 0.02 0.00 0.00 61.00 61.76 3pmg s PRO 355 Cb 0.08 -1.55 -0.10 0.00 0.02 0.00 0.00 34.50 32.95 3pmg s PRO 355 CO 0.16 -3.80 1.29 0.99 -0.33 0.00 0.00 177.00 175.31 3pmg s THR 356 N -2.50 2.80 0.00 0.99 2.01 -1.26 -4.57 115.64 113.10 3pmg s THR 356 Ca 0.68 0.79 0.00 0.00 0.31 0.00 0.00 61.69 63.47 3pmg s THR 356 Cb -0.23 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 68.77 3pmg s THR 356 CO 0.63 0.18 0.00 0.61 -0.69 0.00 0.00 174.62 175.36 3pmg n GLY 357 N 0.93 3.55 0.42 4.40 0.00 -1.26 -4.95 105.19 108.28 3pmg n GLY 357 Ca 0.00 -1.04 0.25 0.00 0.00 0.00 0.00 46.02 45.23 3pmg n GLY 357 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3pmg h TRP 358 N 0.00 0.58 -0.18 1.61 7.01 -1.99 -2.22 115.95 120.75 3pmg h TRP 358 Ca 0.00 0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.07 3pmg h TRP 358 Cb 0.00 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 26.89 3pmg h TRP 358 CO 0.00 0.04 0.22 1.57 -2.79 0.00 0.00 178.44 177.48 3pmg h LYS 359 N 0.34 0.00 -0.12 2.65 -0.00 -1.97 -0.06 116.57 117.41 3pmg h LYS 359 Ca 0.60 0.00 -0.21 0.00 -0.00 0.00 0.00 60.65 61.04 3pmg h LYS 359 Cb 1.63 0.00 0.01 0.00 -0.00 0.00 0.00 32.23 33.86 3pmg h LYS 359 CO -0.27 0.00 -0.79 0.74 -0.00 0.00 0.00 179.45 179.13 3pmg h PHE 360 N 0.00 0.89 0.22 0.07 0.04 -1.76 -1.93 116.94 114.47 3pmg h PHE 360 Ca 0.09 -0.40 -0.01 0.00 2.80 0.00 0.00 57.97 60.44 3pmg h PHE 360 Cb 0.53 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.55 3pmg h PHE 360 CO 0.00 1.21 -0.11 0.74 -0.60 0.00 0.00 178.31 179.56 3pmg h PHE 361 N 0.44 -0.27 -0.93 -0.55 0.04 -1.24 -2.91 116.94 111.52 3pmg h PHE 361 Ca -0.05 -0.01 0.15 0.00 2.80 0.00 0.00 57.97 60.86 3pmg h PHE 361 Cb 1.40 0.09 -0.09 0.00 2.20 0.00 0.00 35.95 39.55 3pmg h PHE 361 CO 0.07 -0.00 0.54 0.78 -0.60 0.00 0.00 178.31 179.10 3pmg h GLY 362 N -0.53 1.55 1.46 -1.45 0.00 -1.21 0.60 103.07 103.50 3pmg h GLY 362 Ca -0.03 -0.33 -0.20 0.00 0.00 0.00 0.00 47.33 46.77 3pmg h GLY 362 CO 0.05 0.02 -0.75 3.43 0.00 0.00 0.00 176.54 179.29 3pmg h ASN 363 N 0.77 0.64 -0.18 0.19 2.35 -1.34 -0.17 115.58 117.84 3pmg h ASN 363 Ca 0.50 -0.42 -0.15 0.00 -0.55 0.00 0.00 56.30 55.68 3pmg h ASN 363 Cb 0.66 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 3pmg h ASN 363 CO -0.34 1.18 -0.42 -0.07 -1.65 0.00 0.00 177.43 176.13 3pmg h LEU 364 N 0.36 0.78 -0.09 1.61 3.38 -0.95 -2.04 115.31 118.35 3pmg h LEU 364 Ca -0.04 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 3pmg h LEU 364 Cb 1.34 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 3pmg h LEU 364 CO 0.14 1.09 0.03 0.24 0.09 0.00 0.00 178.44 180.03 3pmg h MET 365 N 0.59 0.14 0.00 1.13 2.86 -0.73 -0.96 114.93 117.97 3pmg h MET 365 Ca 0.04 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3pmg h MET 365 Cb 0.97 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.61 3pmg h MET 365 CO 0.09 0.28 0.00 -0.44 1.06 0.00 0.00 176.91 177.90 3pmg h ASP 366 N -0.02 0.00 -0.00 1.22 3.32 -0.94 -0.34 116.42 119.65 3pmg h ASP 366 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3pmg h ASP 366 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3pmg h ASP 366 CO -0.00 0.00 -0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3pmg n ALA 367 N -2.04 2.62 -2.84 3.45 0.00 -0.45 -4.90 120.51 116.35 3pmg n ALA 367 Ca -0.01 -0.35 -0.16 0.00 0.00 0.00 0.00 53.44 52.92 3pmg n ALA 367 Cb 0.20 -1.30 0.03 0.00 0.00 0.00 0.00 19.45 18.37 3pmg n ALA 367 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3pmg n SER 368 N -0.29 -4.92 0.00 0.00 7.64 -0.14 -4.91 113.62 111.00 3pmg n SER 368 Ca 0.21 -0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.87 3pmg n SER 368 Cb 0.26 -3.76 0.00 0.00 -1.01 0.00 0.00 64.21 59.70 3pmg n SER 368 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3pmg n LYS 369 N -3.18 0.86 -3.71 1.43 4.76 -0.67 -4.84 118.16 112.80 3pmg n LYS 369 Ca -0.08 -0.94 -0.17 0.00 -2.87 0.00 0.00 58.31 54.25 3pmg n LYS 369 Cb 0.59 -0.98 -0.16 0.00 -1.84 0.00 0.00 35.03 32.63 3pmg n LYS 369 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3pmg s LEU 370 N -0.45 0.48 -0.13 -0.35 2.96 -1.23 -3.59 118.68 116.37 3pmg s LEU 370 Ca 0.00 0.14 0.08 0.00 -0.22 0.00 0.00 54.13 54.13 3pmg s LEU 370 Cb 0.00 0.03 -0.13 0.00 0.50 0.00 0.00 46.19 46.59 3pmg s LEU 370 CO 0.00 -0.20 -0.01 -1.20 -1.32 0.00 0.00 176.35 173.62 3pmg n SER 371 N 4.80 2.34 -4.03 3.68 7.64 0.35 -4.51 113.62 123.89 3pmg n SER 371 Ca -0.15 -0.02 -0.20 0.00 1.01 0.00 0.00 58.87 59.51 3pmg n SER 371 Cb 0.50 0.47 -0.15 0.00 -1.01 0.00 0.00 64.21 64.02 3pmg n SER 371 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3pmg s LEU 372 N -5.17 1.88 -0.01 -3.43 2.96 -1.19 -2.82 118.68 110.90 3pmg s LEU 372 Ca -0.10 -0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 53.53 3pmg s LEU 372 Cb 0.04 -0.57 0.01 0.00 0.50 0.00 0.00 46.19 46.17 3pmg s LEU 372 CO 0.44 0.09 0.17 0.00 -1.32 0.00 0.00 176.35 175.73 3pmg s GLY 374 N -1.23 0.44 0.01 0.00 0.00 -0.49 -1.83 107.32 104.22 3pmg s GLY 374 Ca -0.13 -0.89 0.06 0.00 0.00 0.00 0.00 44.72 43.76 3pmg s GLY 374 CO 0.02 -0.97 -0.19 -0.54 0.00 0.00 0.00 173.10 171.42 3pmg s GLU 375 N -2.43 1.41 0.63 2.90 2.02 -0.30 -2.77 118.70 120.16 3pmg s GLU 375 Ca -0.05 -0.77 0.41 0.00 0.02 0.00 0.00 54.97 54.58 3pmg s GLU 375 Cb -0.03 -1.43 2.09 0.00 0.10 0.00 0.00 34.13 34.86 3pmg s GLU 375 CO -0.03 0.38 2.25 1.05 0.02 0.00 0.00 175.26 178.92 3pmg h GLU 376 N 5.31 0.00 -2.27 1.61 -0.00 -1.89 -3.20 114.58 114.14 3pmg h GLU 376 Ca -0.39 0.00 -0.51 0.00 -0.00 0.00 0.00 59.36 58.46 3pmg h GLU 376 Cb 1.15 0.00 -0.11 0.00 -0.00 0.00 0.00 28.75 29.79 3pmg h GLU 376 CO 0.46 0.00 1.13 -1.13 -0.00 0.00 0.00 179.01 179.47 3pmg n SER 377 N -3.08 6.85 -2.49 3.06 3.41 -1.26 -4.61 113.62 115.50 3pmg n SER 377 Ca -0.02 -2.94 -0.21 0.00 -0.26 0.00 0.00 58.87 55.44 3pmg n SER 377 Cb 0.15 -1.35 -0.00 0.00 -0.26 0.00 0.00 64.21 62.74 3pmg n SER 377 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3pmg n PHE 378 N 1.80 -1.15 -4.52 7.33 3.72 -1.25 -4.97 117.46 118.43 3pmg n PHE 378 Ca 0.55 0.07 -0.33 0.00 -0.05 0.00 0.00 57.45 57.68 3pmg n PHE 378 Cb 0.52 -4.02 -0.13 0.00 -0.94 0.00 0.00 39.48 34.92 3pmg n PHE 378 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3pmg s GLY 379 N -2.14 1.66 -0.07 1.37 0.00 -1.21 -1.88 107.32 105.06 3pmg s GLY 379 Ca 0.04 -0.84 -0.05 0.00 0.00 0.00 0.00 44.72 43.87 3pmg s GLY 379 CO 0.05 -0.11 0.18 -1.59 0.00 0.00 0.00 173.10 171.63 3pmg s THR 380 N 0.35 -0.01 0.36 0.90 2.01 -1.26 -1.15 115.64 116.83 3pmg s THR 380 Ca -0.06 0.05 -0.13 0.00 0.31 0.00 0.00 61.69 61.86 3pmg s THR 380 Cb -0.15 -0.27 0.04 0.00 0.01 0.00 0.00 72.50 72.13 3pmg s THR 380 CO 0.04 0.02 0.70 -0.83 -0.69 0.00 0.00 174.62 173.86 3pmg s GLY 381 N 0.45 0.56 0.29 4.40 0.00 -0.76 -2.16 107.32 110.10 3pmg s GLY 381 Ca -0.03 -0.87 -0.07 0.00 0.00 0.00 0.00 44.72 43.76 3pmg s GLY 381 CO -0.02 -0.45 0.45 -0.45 0.00 0.00 0.00 173.10 172.63 3pmg s SER 382 N -3.08 0.44 -0.06 1.64 0.15 -1.26 -1.10 113.70 110.43 3pmg s SER 382 Ca 0.18 -1.26 0.05 0.00 0.70 0.00 0.00 55.95 55.62 3pmg s SER 382 Cb -0.04 0.61 0.24 0.00 -1.71 0.00 0.00 66.02 65.13 3pmg s SER 382 CO 0.13 -1.21 0.94 -0.90 1.20 0.00 0.00 173.24 173.40 3pmg n ASP 383 N -0.92 2.21 0.21 5.45 5.75 -1.13 -3.94 116.55 124.18 3pmg n ASP 383 Ca -0.00 -2.23 0.05 0.00 -0.01 0.00 0.00 54.79 52.60 3pmg n ASP 383 Cb 0.62 -0.47 0.51 0.00 -1.03 0.00 0.00 41.12 40.75 3pmg n ASP 383 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 3pmg h HIS 384 N 1.25 0.04 -4.26 2.11 2.07 -1.95 -3.45 115.15 110.96 3pmg h HIS 384 Ca 0.00 -0.00 -0.38 0.00 -2.85 0.00 0.00 60.37 57.13 3pmg h HIS 384 Cb 0.82 -0.01 -0.10 0.00 2.57 0.00 0.00 27.41 30.69 3pmg h HIS 384 CO 0.30 0.18 -0.36 0.44 -3.07 0.00 0.00 177.93 175.42 3pmg n ILE 385 N -4.36 0.00 -1.93 6.12 -5.35 -1.25 -4.93 119.36 107.66 3pmg n ILE 385 Ca -0.02 -1.85 -0.27 0.00 -0.27 0.00 0.00 62.75 60.33 3pmg n ILE 385 Cb 0.22 0.85 0.03 0.00 -1.74 0.00 0.00 39.64 38.99 3pmg n ILE 385 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3pmg n ARG 386 N -0.55 3.38 -3.86 6.28 5.12 -1.26 -4.89 116.66 120.87 3pmg n ARG 386 Ca 0.03 -4.01 -0.10 0.00 -1.93 0.00 0.00 57.85 51.85 3pmg n ARG 386 Cb 0.46 -2.28 -0.06 0.00 -1.16 0.00 0.00 32.46 29.43 3pmg n ARG 386 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3pmg s GLU 387 N -3.66 1.22 0.80 5.56 0.41 -1.26 -4.14 118.70 117.64 3pmg s GLU 387 Ca 0.54 -1.04 -0.12 0.00 -0.41 0.00 0.00 54.97 53.94 3pmg s GLU 387 Cb 0.43 0.43 0.07 0.00 -1.78 0.00 0.00 34.13 33.28 3pmg s GLU 387 CO -0.01 -0.48 1.13 0.15 -0.49 0.00 0.00 175.26 175.55 3pmg s LYS 388 N -3.92 2.07 -0.23 1.61 1.02 -1.26 -4.73 119.74 114.29 3pmg s LYS 388 Ca 0.13 0.39 -0.03 0.00 0.02 0.00 0.00 55.97 56.48 3pmg s LYS 388 Cb 0.02 -1.94 0.12 0.00 -0.52 0.00 0.00 37.83 35.51 3pmg s LYS 388 CO -0.02 -1.57 0.35 0.34 -0.92 0.00 0.00 175.35 173.52 3pmg s ASP 389 N -4.22 0.45 0.16 2.83 -1.08 -0.92 -4.19 116.67 109.70 3pmg s ASP 389 Ca 0.61 0.16 -0.09 0.00 -0.52 0.00 0.00 52.55 52.71 3pmg s ASP 389 Cb -0.13 0.97 0.00 0.00 -1.46 0.00 0.00 42.92 42.31 3pmg s ASP 389 CO 0.52 -0.30 1.47 1.23 0.52 0.00 0.00 175.17 178.61 3pmg h GLY 390 N 8.21 0.90 2.00 2.66 0.00 -1.04 -2.99 103.07 112.81 3pmg h GLY 390 Ca -0.19 -0.97 -0.11 0.00 0.00 0.00 0.00 47.33 46.06 3pmg h GLY 390 CO 0.27 0.87 -0.50 -2.00 0.00 0.00 0.00 176.54 175.18 3pmg h LEU 391 N 0.65 0.00 -0.51 3.11 5.85 -1.88 -1.93 115.31 120.60 3pmg h LEU 391 Ca 0.04 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 3pmg h LEU 391 Cb 1.04 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 3pmg h LEU 391 CO 0.10 0.50 0.13 -0.25 -0.34 0.00 0.00 178.44 178.59 3pmg h TRP 392 N 0.00 0.85 -0.12 1.25 7.01 -1.90 -0.79 115.95 122.25 3pmg h TRP 392 Ca -0.01 -0.10 -0.05 0.00 2.11 0.00 0.00 58.89 60.84 3pmg h TRP 392 Cb 0.99 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.79 3pmg h TRP 392 CO 0.00 0.75 -0.17 0.00 -2.79 0.00 0.00 178.44 176.24 3pmg h ALA 393 N 1.00 1.50 -0.00 2.65 0.00 -1.27 1.00 119.26 124.14 3pmg h ALA 393 Ca 0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3pmg h ALA 393 Cb 0.32 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3pmg h ALA 393 CO -0.00 0.36 -0.00 0.28 0.00 0.00 0.00 179.25 179.89 3pmg h VAL 394 N 0.18 1.32 -0.02 0.00 2.07 -0.54 -1.61 116.25 117.65 3pmg h VAL 394 Ca 0.04 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 3pmg h VAL 394 Cb 0.41 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 3pmg h VAL 394 CO 0.03 0.25 -0.29 -0.07 0.02 0.00 0.00 177.57 177.51 3pmg h LEU 395 N -0.39 0.04 -0.71 2.57 3.38 -0.88 0.31 115.31 119.62 3pmg h LEU 395 Ca 0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3pmg h LEU 395 Cb 0.40 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3pmg h LEU 395 CO 0.00 0.33 0.28 0.00 0.09 0.00 0.00 178.44 179.14 3pmg h ALA 396 N 1.68 0.92 -0.36 1.53 0.00 -0.73 0.11 119.26 122.41 3pmg h ALA 396 Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 3pmg h ALA 396 Cb 0.53 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3pmg h ALA 396 CO 0.04 0.54 -0.23 -1.49 0.00 0.00 0.00 179.25 178.12 3pmg h TRP 397 N 1.01 0.79 0.00 0.00 4.06 -0.20 -2.48 115.95 119.14 3pmg h TRP 397 Ca 0.24 -0.18 -0.12 0.00 2.06 0.00 0.00 58.89 60.89 3pmg h TRP 397 Cb 0.21 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 28.16 3pmg h TRP 397 CO 0.02 0.87 -0.58 -0.07 -3.56 0.00 0.00 178.44 175.11 3pmg h LEU 398 N 0.62 0.00 -0.74 -4.49 3.38 -0.50 -0.84 115.31 112.74 3pmg h LEU 398 Ca 0.09 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3pmg h LEU 398 Cb 0.71 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3pmg h LEU 398 CO 0.05 0.58 0.16 0.28 0.09 0.00 0.00 178.44 179.61 3pmg h SER 399 N 0.00 1.06 -0.31 -0.43 0.02 -0.78 0.16 113.55 113.28 3pmg h SER 399 Ca -0.01 -0.23 -0.10 0.00 -0.84 0.00 0.00 61.79 60.62 3pmg h SER 399 Cb 1.05 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 3pmg h SER 399 CO 0.08 1.02 -0.20 0.40 -1.14 0.00 0.00 176.83 176.99 3pmg h ILE 400 N 1.06 1.30 -0.04 3.27 2.04 -1.00 -2.58 117.51 121.56 3pmg h ILE 400 Ca 0.22 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.76 3pmg h ILE 400 Cb 0.38 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 3pmg h ILE 400 CO 0.00 0.43 0.02 -0.07 0.00 0.00 0.00 178.15 178.53 3pmg h LEU 401 N 0.43 0.04 0.06 1.44 3.38 -0.73 0.33 115.31 120.26 3pmg h LEU 401 Ca 0.06 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3pmg h LEU 401 Cb 0.74 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 3pmg h LEU 401 CO 0.05 0.03 -0.35 0.00 0.09 0.00 0.00 178.44 178.27 3pmg h ALA 402 N 1.01 -0.83 -0.48 1.53 0.00 -1.00 0.01 119.26 119.49 3pmg h ALA 402 Ca 0.01 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.95 3pmg h ALA 402 Cb -0.00 0.76 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 3pmg h ALA 402 CO -0.00 -0.92 -0.02 1.15 0.00 0.00 0.00 179.25 179.46 3pmg h THR 403 N -0.48 0.61 0.00 0.00 2.02 -1.35 -3.11 112.91 110.60 3pmg h THR 403 Ca -0.00 -0.03 -0.16 0.00 0.77 0.00 0.00 66.41 66.98 3pmg h THR 403 Cb 0.49 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 3pmg h THR 403 CO -0.20 0.02 -0.77 0.03 0.37 0.00 0.00 175.52 174.97 3pmg h ARG 404 N 0.10 0.00 -6.42 6.66 2.47 -0.81 -3.49 114.38 112.89 3pmg h ARG 404 Ca 0.24 0.00 -0.49 0.00 -1.26 0.00 0.00 59.98 58.47 3pmg h ARG 404 Cb 0.36 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.60 3pmg h ARG 404 CO -0.42 0.77 -0.79 1.63 0.56 0.00 0.00 179.97 181.73 3pmg n LYS 405 N -3.40 -4.81 -4.43 0.04 5.02 -0.02 -4.98 118.16 105.57 3pmg n LYS 405 Ca 0.00 0.53 -0.21 0.00 -2.02 0.00 0.00 58.31 56.62 3pmg n LYS 405 Cb 0.80 -5.34 -0.10 0.00 -0.02 0.00 0.00 35.03 30.37 3pmg n LYS 405 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3pmg s GLN 406 N -6.67 1.62 0.76 1.97 -0.21 -1.26 -5.12 119.66 110.75 3pmg s GLN 406 Ca 0.63 -1.90 -0.10 0.00 0.02 0.00 0.00 55.36 54.01 3pmg s GLN 406 Cb -0.32 -0.73 0.06 0.00 1.00 0.00 0.00 33.01 33.02 3pmg s GLN 406 CO 0.86 -0.22 1.12 -1.54 -2.12 0.00 0.00 175.29 173.38 3pmg s SER 407 N -3.46 4.74 0.17 5.90 1.04 -1.26 -4.87 113.70 115.96 3pmg s SER 407 Ca 0.36 0.74 -0.14 0.00 0.48 0.00 0.00 55.95 57.39 3pmg s SER 407 Cb 0.08 -1.33 0.10 0.00 0.10 0.00 0.00 66.02 64.97 3pmg s SER 407 CO 0.15 -1.73 1.79 0.58 0.98 0.00 0.00 173.24 175.01 3pmg h VAL 408 N -0.86 0.99 -0.58 5.02 2.07 -1.97 -1.29 116.25 119.63 3pmg h VAL 408 Ca -0.45 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 3pmg h VAL 408 Cb 1.31 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3pmg h VAL 408 CO 0.64 0.09 0.24 -0.08 0.02 0.00 0.00 177.57 178.48 3pmg h GLU 409 N 0.49 0.86 -0.19 1.57 4.81 -1.93 -1.14 114.58 119.05 3pmg h GLU 409 Ca 0.20 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 3pmg h GLU 409 Cb 0.08 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3pmg h GLU 409 CO -0.12 0.74 -0.18 -0.44 -0.73 0.00 0.00 179.01 178.27 3pmg h ASP 410 N 0.80 0.32 -0.36 1.04 3.32 -1.82 -0.82 116.42 118.89 3pmg h ASP 410 Ca 0.19 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 3pmg h ASP 410 Cb 0.19 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3pmg h ASP 410 CO -0.02 0.52 0.07 0.40 -1.72 0.00 0.00 179.24 178.50 3pmg h ILE 411 N 0.30 1.23 -0.25 0.35 2.04 -0.31 -1.40 117.51 119.47 3pmg h ILE 411 Ca 0.05 -0.80 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 3pmg h ILE 411 Cb 0.51 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3pmg h ILE 411 CO 0.03 0.27 -0.01 -0.07 0.00 0.00 0.00 178.15 178.37 3pmg h LEU 412 N 0.42 0.44 -2.17 1.44 3.38 -0.98 0.12 115.31 117.97 3pmg h LEU 412 Ca 0.11 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.77 3pmg h LEU 412 Cb 0.33 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3pmg h LEU 412 CO 0.00 0.66 0.03 0.11 0.09 0.00 0.00 178.44 179.33 3pmg h LYS 413 N 0.22 0.00 0.00 1.13 1.57 -1.07 0.54 116.57 118.96 3pmg h LYS 413 Ca 0.07 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.60 3pmg h LYS 413 Cb 0.44 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 3pmg h LYS 413 CO 0.02 0.00 -1.33 0.22 -0.57 0.00 0.00 179.45 177.79 3pmg h ASP 414 N 0.00 0.00 -0.03 0.86 3.58 -1.08 -2.29 116.42 117.46 3pmg h ASP 414 Ca 0.01 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 3pmg h ASP 414 Cb 0.07 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 3pmg h ASP 414 CO -0.00 1.00 -0.01 -0.74 -2.88 0.00 0.00 179.24 176.61 3pmg h HIS 415 N 0.00 0.08 -0.60 0.28 2.76 0.11 -2.17 115.15 115.61 3pmg h HIS 415 Ca -0.14 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.03 3pmg h HIS 415 Cb 1.88 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 30.79 3pmg h HIS 415 CO 0.00 0.43 0.39 -1.49 -1.30 0.00 0.00 177.93 175.96 3pmg h TRP 416 N -0.30 0.74 0.00 5.26 6.55 -1.27 0.29 115.95 127.23 3pmg h TRP 416 Ca 0.01 0.02 -0.04 0.00 0.95 0.00 0.00 58.89 59.83 3pmg h TRP 416 Cb 0.41 -0.25 -0.01 0.00 -0.86 0.00 0.00 29.16 28.45 3pmg h TRP 416 CO 0.06 0.45 -0.19 0.45 -1.05 0.00 0.00 178.44 178.16 3pmg h HIS 417 N 0.79 0.00 0.00 0.49 3.86 -1.41 0.63 115.15 119.52 3pmg h HIS 417 Ca 0.23 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 3pmg h HIS 417 Cb -0.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.41 3pmg h HIS 417 CO -0.04 0.19 -0.06 -0.22 0.86 0.00 0.00 177.93 178.66 3pmg h LYS 418 N 0.00 0.04 -0.01 2.45 3.64 -0.73 -3.39 116.57 118.57 3pmg h LYS 418 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3pmg h LYS 418 Cb 0.76 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3pmg h LYS 418 CO 0.03 0.87 -0.47 1.19 -2.27 0.00 0.00 179.45 178.80 3pmg n PHE 419 N -4.64 0.00 0.00 1.91 3.72 0.03 -5.10 117.46 113.38 3pmg n PHE 419 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3pmg n PHE 419 Cb 0.44 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 3pmg n PHE 419 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3pmg n GLY 420 N 1.22 -0.95 3.45 1.37 0.00 0.22 -4.99 105.19 105.51 3pmg n GLY 420 Ca 0.05 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.10 3pmg n GLY 420 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3pmg s ARG 421 N -2.09 2.84 -0.50 1.61 3.52 0.69 -4.25 118.95 120.77 3pmg s ARG 421 Ca 0.00 -0.67 -0.11 0.00 -0.13 0.00 0.00 55.73 54.82 3pmg s ARG 421 Cb 0.00 -2.49 0.13 0.00 -1.56 0.00 0.00 34.95 31.02 3pmg s ARG 421 CO 0.00 0.48 0.39 -0.80 -0.81 0.00 0.00 175.30 174.56 3pmg s ASN 422 N -0.36 5.82 0.33 -2.12 0.01 -1.26 -0.49 114.94 116.88 3pmg s ASN 422 Ca 0.04 -1.93 -0.29 0.00 -0.71 0.00 0.00 52.86 49.97 3pmg s ASN 422 Cb -0.12 -2.05 -0.10 0.00 0.41 0.00 0.00 41.25 39.38 3pmg s ASN 422 CO 0.02 -0.72 1.31 -0.36 -1.51 0.00 0.00 177.10 175.84 3pmg s PHE 423 N 1.35 3.04 -0.10 2.20 0.08 -0.13 -4.85 117.98 119.56 3pmg s PHE 423 Ca 0.06 1.41 -0.11 0.00 0.12 0.00 0.00 56.93 58.41 3pmg s PHE 423 Cb -0.26 -3.69 0.03 0.00 -0.57 0.00 0.00 43.02 38.53 3pmg s PHE 423 CO -0.00 -1.89 0.30 0.12 -0.10 0.00 0.00 175.22 173.65 3pmg s PHE 424 N -1.14 -0.31 0.11 0.36 2.19 -1.26 -0.91 117.98 117.02 3pmg s PHE 424 Ca 0.49 0.74 -0.17 0.00 0.33 0.00 0.00 56.93 58.33 3pmg s PHE 424 Cb -0.40 0.11 0.04 0.00 -1.31 0.00 0.00 43.02 41.46 3pmg s PHE 424 CO 0.53 -0.18 0.41 -0.08 1.83 0.00 0.00 175.22 177.73 3pmg s THR 425 N -0.01 0.06 -0.10 0.12 -1.32 -0.30 -4.99 115.64 109.11 3pmg s THR 425 Ca -0.02 -0.53 -0.00 0.00 -1.21 0.00 0.00 61.69 59.93 3pmg s THR 425 Cb -0.03 -1.11 0.02 0.00 -1.51 0.00 0.00 72.50 69.88 3pmg s THR 425 CO 0.01 -0.30 -0.07 -0.60 -2.21 0.00 0.00 174.62 171.46 3pmg s ARG 426 N -3.48 1.36 -0.31 7.08 3.00 -0.84 -1.06 118.95 124.71 3pmg s ARG 426 Ca 0.01 -0.20 -0.14 0.00 -1.00 0.00 0.00 55.73 54.40 3pmg s ARG 426 Cb 0.01 -1.44 -0.03 0.00 0.00 0.00 0.00 34.95 33.49 3pmg s ARG 426 CO -0.10 -0.24 0.33 0.71 0.00 0.00 0.00 175.30 176.00 3pmg s TYR 427 N 1.64 3.22 -0.16 5.12 1.51 0.20 -0.91 117.35 127.96 3pmg s TYR 427 Ca 0.03 0.11 -0.07 0.00 -1.01 0.00 0.00 57.07 56.13 3pmg s TYR 427 Cb -0.13 -2.58 -0.04 0.00 -0.11 0.00 0.00 41.96 39.10 3pmg s TYR 427 CO -0.06 -0.32 0.08 -0.51 -1.11 0.00 0.00 175.55 173.62 3pmg s ASP 428 N 1.71 5.80 -0.60 2.29 1.01 -0.05 -0.67 116.67 126.15 3pmg s ASP 428 Ca 0.11 0.17 0.04 0.00 0.71 0.00 0.00 52.55 53.59 3pmg s ASP 428 Cb -0.16 -1.94 0.16 0.00 1.01 0.00 0.00 42.92 41.98 3pmg s ASP 428 CO 0.11 0.24 0.40 -0.31 0.21 0.00 0.00 175.17 175.82 3pmg s TYR 429 N 0.00 3.00 0.26 4.23 2.02 0.32 0.68 117.35 127.86 3pmg s TYR 429 Ca 0.07 -3.08 -0.29 0.00 -0.37 0.00 0.00 57.07 53.40 3pmg s TYR 429 Cb -0.12 -2.40 -0.09 0.00 -0.40 0.00 0.00 41.96 38.94 3pmg s TYR 429 CO 0.01 -0.64 1.18 -1.21 -1.57 0.00 0.00 175.55 173.31 3pmg s GLU 430 N -0.84 4.53 -0.87 -0.62 0.41 -1.26 -0.01 118.70 120.04 3pmg s GLU 430 Ca 0.24 1.92 -0.04 0.00 -0.41 0.00 0.00 54.97 56.68 3pmg s GLU 430 Cb -0.10 -3.18 0.00 0.00 -1.78 0.00 0.00 34.13 29.08 3pmg s GLU 430 CO -0.12 0.03 0.61 -1.91 -0.49 0.00 0.00 175.26 173.38 3pmg n GLU 431 N 1.57 -1.41 -2.93 1.61 4.07 -1.24 -4.94 120.64 117.37 3pmg n GLU 431 Ca 0.01 0.68 -0.18 0.00 -0.06 0.00 0.00 57.16 57.61 3pmg n GLU 431 Cb 0.44 -2.28 0.02 0.00 -0.06 0.00 0.00 31.44 29.56 3pmg n GLU 431 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 3pmg s VAL 432 N -3.04 2.91 -0.33 6.31 -7.23 0.96 -4.82 120.40 115.16 3pmg s VAL 432 Ca 0.05 -0.93 -0.29 0.00 -1.81 0.00 0.00 61.98 59.00 3pmg s VAL 432 Cb -0.03 -2.98 0.02 0.00 0.56 0.00 0.00 36.38 33.95 3pmg s VAL 432 CO 0.91 0.00 1.11 -0.70 -0.31 0.00 0.00 175.10 176.11 3pmg s GLU 433 N -4.44 4.02 0.32 4.82 2.56 -1.26 -2.00 118.70 122.72 3pmg s GLU 433 Ca 0.56 1.06 0.17 0.00 0.00 0.00 0.00 54.97 56.76 3pmg s GLU 433 Cb -0.10 -3.77 1.14 0.00 2.00 0.00 0.00 34.13 33.40 3pmg s GLU 433 CO 0.34 -0.96 1.39 0.00 -0.56 0.00 0.00 175.26 175.47 3pmg n ALA 434 N 7.03 0.86 -0.21 6.30 0.00 -1.26 -1.07 120.51 132.17 3pmg n ALA 434 Ca 0.12 0.91 -0.05 0.00 0.00 0.00 0.00 53.44 54.42 3pmg n ALA 434 Cb 0.47 -0.88 0.06 0.00 0.00 0.00 0.00 19.45 19.10 3pmg n ALA 434 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3pmg h GLU 435 N 0.00 0.70 -0.08 0.00 4.22 -1.99 0.25 114.58 117.68 3pmg h GLU 435 Ca 0.73 -0.04 -0.04 0.00 0.08 0.00 0.00 59.36 60.09 3pmg h GLU 435 Cb 1.90 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.99 3pmg h GLU 435 CO -0.70 0.46 -0.09 0.78 -2.18 0.00 0.00 179.01 177.29 3pmg h GLY 436 N 0.72 0.22 0.06 1.92 0.00 -1.36 -2.72 103.07 101.90 3pmg h GLY 436 Ca 0.24 -0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.37 3pmg h GLY 436 CO -0.10 0.21 -0.48 0.00 0.00 0.00 0.00 176.54 176.16 3pmg h ALA 437 N 0.56 -0.81 0.00 3.60 0.00 -1.12 0.23 119.26 121.73 3pmg h ALA 437 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3pmg h ALA 437 Cb 0.60 0.86 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3pmg h ALA 437 CO 0.02 -1.04 0.00 1.79 0.00 0.00 0.00 179.25 180.02 3pmg h THR 438 N -0.62 0.00 0.00 0.00 1.35 -1.04 -1.26 112.91 111.34 3pmg h THR 438 Ca 0.03 -0.12 -0.01 0.00 -0.55 0.00 0.00 66.41 65.76 3pmg h THR 438 Cb 0.69 0.96 -0.00 0.00 -1.73 0.00 0.00 68.15 68.07 3pmg h THR 438 CO -0.35 0.00 -0.07 0.50 -0.25 0.00 0.00 175.52 175.35 3pmg h LYS 439 N 0.00 0.00 -0.92 4.72 3.64 -0.44 -2.46 116.57 121.11 3pmg h LYS 439 Ca 0.00 0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.59 3pmg h LYS 439 Cb 0.14 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 31.84 3pmg h LYS 439 CO 0.00 0.23 0.48 1.98 -2.27 0.00 0.00 179.45 179.86 3pmg h MET 440 N -1.00 0.52 -0.22 1.90 4.05 -0.10 0.25 114.93 120.32 3pmg h MET 440 Ca -0.01 -0.03 -0.09 0.00 -0.28 0.00 0.00 59.70 59.29 3pmg h MET 440 Cb 0.27 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 30.95 3pmg h MET 440 CO -0.00 0.34 -0.21 0.52 0.23 0.00 0.00 176.91 177.78 3pmg h MET 441 N 0.53 0.53 -0.56 0.39 2.86 -1.38 -0.13 114.93 117.17 3pmg h MET 441 Ca 0.56 -0.28 -0.04 0.00 -2.06 0.00 0.00 59.70 57.88 3pmg h MET 441 Cb 1.00 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 3pmg h MET 441 CO -0.47 0.86 0.18 0.87 1.06 0.00 0.00 176.91 179.42 3pmg h LYS 442 N 0.23 0.87 -0.18 1.72 6.56 -0.33 -0.76 116.57 124.68 3pmg h LYS 442 Ca 0.04 -0.19 -0.15 0.00 -1.06 0.00 0.00 60.65 59.29 3pmg h LYS 442 Cb 0.76 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 32.28 3pmg h LYS 442 CO 0.05 0.79 -0.51 -0.44 -2.06 0.00 0.00 179.45 177.28 3pmg h ASP 443 N 0.79 0.55 -0.24 0.86 3.32 -0.63 -2.81 116.42 118.25 3pmg h ASP 443 Ca 0.18 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 56.89 3pmg h ASP 443 Cb 0.28 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3pmg h ASP 443 CO -0.01 0.96 -0.10 0.25 -1.72 0.00 0.00 179.24 178.63 3pmg h LEU 444 N 0.39 0.51 -0.72 1.55 5.85 -0.83 -1.01 115.31 121.04 3pmg h LEU 444 Ca 0.01 -0.39 0.12 0.00 0.84 0.00 0.00 57.88 58.46 3pmg h LEU 444 Cb 1.03 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.84 3pmg h LEU 444 CO 0.09 0.79 0.31 -0.08 -0.34 0.00 0.00 178.44 179.21 3pmg h GLU 445 N 0.22 0.49 0.32 1.25 4.81 -1.11 -0.23 114.58 120.33 3pmg h GLU 445 Ca 0.06 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3pmg h GLU 445 Cb 0.58 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 3pmg h GLU 445 CO 0.03 0.32 -0.24 0.00 -0.73 0.00 0.00 179.01 178.40 3pmg h ALA 446 N 1.49 -0.55 -0.04 2.92 0.00 -1.27 -0.32 119.26 121.49 3pmg h ALA 446 Ca 0.38 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 3pmg h ALA 446 Cb 0.50 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3pmg h ALA 446 CO -0.34 -0.83 -0.12 1.25 0.00 0.00 0.00 179.25 179.22 3pmg h LEU 447 N -0.56 0.05 -0.25 0.00 5.85 -0.24 -3.09 115.31 117.06 3pmg h LEU 447 Ca -0.03 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 3pmg h LEU 447 Cb 0.48 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3pmg h LEU 447 CO 0.00 0.17 -0.09 0.24 -0.34 0.00 0.00 178.44 178.42 3pmg h MET 448 N 0.05 0.51 -0.00 1.25 2.86 -0.25 -3.27 114.93 116.08 3pmg h MET 448 Ca 0.01 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 3pmg h MET 448 Cb 0.24 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.88 3pmg h MET 448 CO 0.02 0.75 -0.04 1.19 1.06 0.00 0.00 176.91 179.89 3pmg n PHE 449 N -4.51 0.00 -2.01 -0.22 3.01 -0.21 -4.62 117.46 108.91 3pmg n PHE 449 Ca -0.04 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.01 3pmg n PHE 449 Cb 0.33 -0.12 -0.02 0.00 -0.01 0.00 0.00 39.48 39.66 3pmg n PHE 449 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3pmg s ASP 450 N -2.28 6.63 0.51 4.37 2.15 -1.18 -4.89 116.67 121.99 3pmg s ASP 450 Ca 0.36 2.78 0.39 0.00 0.43 0.00 0.00 52.55 56.52 3pmg s ASP 450 Cb 0.21 -2.65 1.57 0.00 -0.30 0.00 0.00 42.92 41.75 3pmg s ASP 450 CO 0.42 -0.66 1.66 -0.09 -0.17 0.00 0.00 175.17 176.33 3pmg h ARG 451 N 3.69 0.04 -0.02 4.34 1.12 -1.92 -1.05 114.38 120.59 3pmg h ARG 451 Ca -0.49 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.38 3pmg h ARG 451 Cb 1.23 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.18 3pmg h ARG 451 CO 0.68 0.03 -0.21 0.43 -3.11 0.00 0.00 179.97 177.79 3pmg n SER 452 N -4.25 2.33 0.35 -3.80 7.64 -1.26 -4.63 113.62 110.01 3pmg n SER 452 Ca 0.36 -1.68 -0.14 0.00 1.01 0.00 0.00 58.87 58.42 3pmg n SER 452 Cb 1.59 0.20 -0.07 0.00 -1.01 0.00 0.00 64.21 64.92 3pmg n SER 452 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3pmg h PHE 453 N 3.34 -0.84 -2.75 1.43 3.57 -1.42 -3.37 116.94 116.90 3pmg h PHE 453 Ca 0.00 -0.02 -0.56 0.00 3.53 0.00 0.00 57.97 60.92 3pmg h PHE 453 Cb 0.82 0.28 0.07 0.00 2.79 0.00 0.00 35.95 39.91 3pmg h PHE 453 CO 0.00 -0.52 0.82 0.28 -2.23 0.00 0.00 178.31 176.65 3pmg n VAL 454 N -4.89 0.55 0.00 1.41 0.31 -1.26 -0.82 118.33 113.62 3pmg n VAL 454 Ca -0.11 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3pmg n VAL 454 Cb 0.36 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 3pmg n VAL 454 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3pmg n GLY 455 N 2.83 3.04 3.68 2.92 0.00 -0.49 -4.99 105.19 112.18 3pmg n GLY 455 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3pmg n GLY 455 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pmg s LYS 456 N -0.38 4.14 -0.50 1.61 2.20 -0.00 -4.57 119.74 122.24 3pmg s LYS 456 Ca 0.00 2.59 -0.18 0.00 -0.36 0.00 0.00 55.97 58.02 3pmg s LYS 456 Cb 0.00 -3.75 0.06 0.00 -1.51 0.00 0.00 37.83 32.63 3pmg s LYS 456 CO 0.00 -0.87 0.58 -0.65 -0.36 0.00 0.00 175.35 174.05 3pmg s GLN 457 N 3.20 3.10 0.59 4.03 1.11 -1.26 -1.18 119.66 129.25 3pmg s GLN 457 Ca 0.83 -0.97 -0.06 0.00 0.01 0.00 0.00 55.36 55.17 3pmg s GLN 457 Cb -0.45 -4.10 0.01 0.00 -1.01 0.00 0.00 33.01 27.46 3pmg s GLN 457 CO 0.38 -1.17 0.90 -0.06 0.01 0.00 0.00 175.29 175.34 3pmg s PHE 458 N 2.42 3.26 -0.07 0.91 0.08 0.15 -4.85 117.98 119.89 3pmg s PHE 458 Ca 0.13 0.65 -0.29 0.00 0.12 0.00 0.00 56.93 57.54 3pmg s PHE 458 Cb -0.20 -2.73 0.07 0.00 -0.57 0.00 0.00 43.02 39.59 3pmg s PHE 458 CO 0.11 -0.81 0.66 0.45 -0.10 0.00 0.00 175.22 175.52 3pmg s SER 459 N -4.30 -0.63 -0.26 1.36 0.15 -1.26 -0.24 113.70 108.52 3pmg s SER 459 Ca 0.54 0.74 -0.14 0.00 0.70 0.00 0.00 55.95 57.79 3pmg s SER 459 Cb -0.11 0.61 0.08 0.00 -1.71 0.00 0.00 66.02 64.89 3pmg s SER 459 CO 0.45 -0.56 0.63 0.00 1.20 0.00 0.00 173.24 174.96 3pmg s ALA 460 N -1.05 -1.71 0.00 5.45 0.00 -0.46 -4.93 121.76 119.07 3pmg s ALA 460 Ca -0.10 2.24 0.00 0.00 0.00 0.00 0.00 51.96 54.10 3pmg s ALA 460 Cb -0.01 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.78 3pmg s ALA 460 CO 0.09 -0.37 0.00 0.09 0.00 0.00 0.00 175.76 175.57 3pmg n ASN 461 N 4.33 0.00 0.09 0.00 3.02 -1.26 -1.95 115.26 119.49 3pmg n ASN 461 Ca -0.21 0.00 0.20 0.00 -0.03 0.00 0.00 54.58 54.54 3pmg n ASN 461 Cb 0.58 0.00 0.66 0.00 -0.61 0.00 0.00 39.78 40.41 3pmg n ASN 461 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 3pmg h ASP 462 N 2.91 0.00 -3.85 6.41 1.82 -2.03 -3.44 116.42 118.23 3pmg h ASP 462 Ca 0.00 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 56.13 3pmg h ASP 462 Cb 0.00 0.00 -0.19 0.00 0.68 0.00 0.00 39.33 39.82 3pmg h ASP 462 CO 0.00 0.00 -0.79 -1.59 -1.61 0.00 0.00 179.24 175.25 3pmg s LYS 463 N -4.46 1.17 -0.18 0.28 -2.85 -0.82 -5.11 119.74 107.77 3pmg s LYS 463 Ca -0.04 -1.29 0.01 0.00 -1.00 0.00 0.00 55.97 53.65 3pmg s LYS 463 Cb 0.13 -1.25 0.02 0.00 -2.06 0.00 0.00 37.83 34.67 3pmg s LYS 463 CO 0.45 0.26 -0.19 0.54 0.10 0.00 0.00 175.35 176.52 3pmg s VAL 464 N -1.78 2.21 -0.29 1.79 0.11 -1.26 -1.35 120.40 119.82 3pmg s VAL 464 Ca 0.11 -0.90 -0.10 0.00 -2.93 0.00 0.00 61.98 58.16 3pmg s VAL 464 Cb -0.07 -1.93 -0.03 0.00 -1.53 0.00 0.00 36.38 32.82 3pmg s VAL 464 CO 0.05 0.53 0.17 -0.31 -3.33 0.00 0.00 175.10 172.21 3pmg s TYR 465 N 1.22 3.19 -0.23 1.54 2.02 0.67 -4.91 117.35 120.85 3pmg s TYR 465 Ca 0.03 -0.18 -0.15 0.00 -0.37 0.00 0.00 57.07 56.41 3pmg s TYR 465 Cb -0.14 -2.36 -0.04 0.00 -0.40 0.00 0.00 41.96 39.02 3pmg s TYR 465 CO -0.10 -0.29 0.36 0.99 -1.57 0.00 0.00 175.55 174.94 3pmg s THR 466 N 1.70 5.21 0.05 -0.71 2.01 -1.26 0.33 115.64 122.97 3pmg s THR 466 Ca 0.06 0.59 -0.30 0.00 0.31 0.00 0.00 61.69 62.35 3pmg s THR 466 Cb -0.16 -3.69 -0.07 0.00 0.01 0.00 0.00 72.50 68.59 3pmg s THR 466 CO 0.09 0.24 1.58 -0.69 -0.69 0.00 0.00 174.62 175.14 3pmg s VAL 467 N 1.50 3.24 -0.17 3.82 1.01 -0.32 -0.76 120.40 128.72 3pmg s VAL 467 Ca 0.16 0.66 0.14 0.00 0.00 0.00 0.00 61.98 62.95 3pmg s VAL 467 Cb -0.15 -3.43 -0.21 0.00 0.00 0.00 0.00 36.38 32.60 3pmg s VAL 467 CO 0.08 -0.00 0.04 1.21 0.00 0.00 0.00 175.10 176.42 3pmg n GLU 468 N 5.59 1.14 -3.70 2.72 2.13 0.20 -1.39 120.64 127.33 3pmg n GLU 468 Ca 0.15 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.83 3pmg n GLU 468 Cb 0.41 -1.44 -0.08 0.00 0.27 0.00 0.00 31.44 30.60 3pmg n GLU 468 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3pmg s LYS 469 N -2.42 0.72 -0.21 5.31 2.20 -1.16 -4.89 119.74 119.29 3pmg s LYS 469 Ca -0.10 0.08 -0.06 0.00 -0.36 0.00 0.00 55.97 55.53 3pmg s LYS 469 Cb 0.05 0.33 0.10 0.00 -1.51 0.00 0.00 37.83 36.80 3pmg s LYS 469 CO 0.69 -0.19 0.40 0.00 -0.36 0.00 0.00 175.35 175.89 3pmg s ALA 470 N -0.96 -1.11 0.36 3.13 0.00 -1.26 -1.62 121.76 120.30 3pmg s ALA 470 Ca -0.10 1.32 -0.11 0.00 0.00 0.00 0.00 51.96 53.07 3pmg s ALA 470 Cb -0.04 -1.40 0.03 0.00 0.00 0.00 0.00 23.12 21.71 3pmg s ALA 470 CO 0.05 -0.88 0.66 0.16 0.00 0.00 0.00 175.76 175.75 3pmg s ASP 471 N 2.59 0.30 -0.36 0.00 -4.77 -1.10 -4.83 116.67 108.50 3pmg s ASP 471 Ca 0.02 -1.22 -0.02 0.00 -3.30 0.00 0.00 52.55 48.03 3pmg s ASP 471 Cb -0.13 0.77 0.09 0.00 -1.09 0.00 0.00 42.92 42.56 3pmg s ASP 471 CO -0.13 -1.51 0.12 0.21 0.70 0.00 0.00 175.17 174.55 3pmg s ASN 472 N -3.12 5.07 0.13 2.11 2.47 -1.26 -0.63 114.94 119.71 3pmg s ASN 472 Ca 0.21 -1.80 -0.35 0.00 0.42 0.00 0.00 52.86 51.34 3pmg s ASN 472 Cb -0.03 -1.76 -0.15 0.00 -1.45 0.00 0.00 41.25 37.86 3pmg s ASN 472 CO 0.14 -0.43 1.52 0.33 -3.72 0.00 0.00 177.10 174.95 3pmg n PHE 473 N 4.55 2.08 -4.13 0.43 7.35 -0.14 -4.62 117.46 122.99 3pmg n PHE 473 Ca -0.05 0.36 -0.13 0.00 -0.76 0.00 0.00 57.45 56.87 3pmg n PHE 473 Cb 0.42 -2.49 -0.11 0.00 0.35 0.00 0.00 39.48 37.65 3pmg n PHE 473 CO 0.00 0.00 0.00 -1.83 -0.76 0.00 0.00 176.76 174.17 3pmg s GLU 474 N 0.88 0.71 -0.02 -4.13 -1.05 -1.26 0.22 118.70 114.05 3pmg s GLU 474 Ca 0.81 -1.01 0.01 0.00 -0.15 0.00 0.00 54.97 54.62 3pmg s GLU 474 Cb -0.75 -0.39 0.02 0.00 -0.44 0.00 0.00 34.13 32.57 3pmg s GLU 474 CO 0.41 0.06 -0.01 -0.47 0.95 0.00 0.00 175.26 176.19 3pmg s TYR 475 N -2.15 0.26 -0.40 4.83 6.14 -0.06 -4.97 117.35 120.98 3pmg s TYR 475 Ca -0.00 -0.01 -0.13 0.00 0.64 0.00 0.00 57.07 57.57 3pmg s TYR 475 Cb -0.05 -0.30 0.03 0.00 0.42 0.00 0.00 41.96 42.07 3pmg s TYR 475 CO -0.01 -0.08 0.27 -1.01 0.64 0.00 0.00 175.55 175.37 3pmg s HIS 476 N 0.62 3.25 -0.01 4.97 3.76 -1.26 -1.44 115.29 125.18 3pmg s HIS 476 Ca -0.06 -0.85 -0.30 0.00 -0.15 0.00 0.00 55.06 53.70 3pmg s HIS 476 Cb -0.09 -2.62 -0.07 0.00 1.11 0.00 0.00 32.58 30.91 3pmg s HIS 476 CO -0.01 -0.66 1.69 0.34 -0.85 0.00 0.00 174.74 175.25 3pmg s ASP 477 N 1.77 6.63 0.43 1.40 -1.08 -0.04 -4.90 116.67 120.88 3pmg s ASP 477 Ca 0.03 2.36 0.17 0.00 -0.52 0.00 0.00 52.55 54.59 3pmg s ASP 477 Cb -0.20 -2.54 0.98 0.00 -1.46 0.00 0.00 42.92 39.70 3pmg s ASP 477 CO 0.08 -0.93 1.94 1.55 0.52 0.00 0.00 175.17 178.32 3pmg h PRO 478 N 9.35 0.00 0.00 4.34 0.13 -1.95 -2.00 132.00 141.87 3pmg h PRO 478 Ca -0.42 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.61 3pmg h PRO 478 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 3pmg h PRO 478 CO 0.94 0.25 -0.87 0.28 -0.23 0.00 0.00 178.00 178.37 3pmg n VAL 479 N -4.06 1.47 0.83 1.56 0.31 -1.26 -4.46 118.33 112.72 3pmg n VAL 479 Ca -0.02 0.11 0.12 0.00 -0.01 0.00 0.00 64.34 64.54 3pmg n VAL 479 Cb 0.31 -2.25 0.26 0.00 -0.91 0.00 0.00 33.84 31.26 3pmg n VAL 479 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3pmg n ASP 480 N -4.53 0.53 0.00 4.52 5.68 -1.26 -4.97 116.55 116.52 3pmg n ASP 480 Ca -0.18 -0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.08 3pmg n ASP 480 Cb 0.45 0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 3pmg n ASP 480 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3pmg n GLY 481 N 1.44 1.31 3.76 6.12 0.00 -0.75 -5.02 105.19 112.06 3pmg n GLY 481 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3pmg n GLY 481 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3pmg s SER 482 N -3.15 5.99 -0.10 1.61 1.04 -1.26 -4.70 113.70 113.13 3pmg s SER 482 Ca 0.00 2.48 0.01 0.00 0.48 0.00 0.00 55.95 58.92 3pmg s SER 482 Cb 0.00 -2.62 -0.02 0.00 0.10 0.00 0.00 66.02 63.49 3pmg s SER 482 CO 0.00 -1.05 -0.14 -0.69 0.98 0.00 0.00 173.24 172.34 3pmg s VAL 483 N -1.43 2.98 -0.12 5.02 1.01 -1.26 -0.86 120.40 125.73 3pmg s VAL 483 Ca 0.64 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.92 3pmg s VAL 483 Cb -0.33 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 3pmg s VAL 483 CO 0.40 0.55 -0.17 -0.44 0.00 0.00 0.00 175.10 175.44 3pmg s SER 484 N 0.01 3.63 0.36 3.32 0.01 -0.52 -4.98 113.70 115.54 3pmg s SER 484 Ca -0.04 -0.43 0.07 0.00 1.31 0.00 0.00 55.95 56.86 3pmg s SER 484 Cb -0.14 -1.53 -0.07 0.00 0.21 0.00 0.00 66.02 64.48 3pmg s SER 484 CO 0.04 0.15 -0.03 -0.54 0.41 0.00 0.00 173.24 173.28 3pmg s LYS 485 N 0.42 1.80 -1.58 12.44 1.02 -1.26 -0.88 119.74 131.70 3pmg s LYS 485 Ca -0.13 -1.97 -0.13 0.00 0.02 0.00 0.00 55.97 53.76 3pmg s LYS 485 Cb -0.17 -1.47 0.10 0.00 -0.52 0.00 0.00 37.83 35.78 3pmg s LYS 485 CO 0.06 0.00 0.76 0.27 -0.92 0.00 0.00 175.35 175.53 3pmg n ASN 486 N -0.81 -3.02 0.00 2.83 6.94 -1.18 -4.85 115.26 115.17 3pmg n ASN 486 Ca -0.05 -0.94 0.03 0.00 -0.02 0.00 0.00 54.58 53.60 3pmg n ASN 486 Cb 0.65 -3.19 0.15 0.00 -2.36 0.00 0.00 39.78 35.03 3pmg n ASN 486 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3pmg n GLN 487 N -4.47 0.87 0.00 -3.83 1.13 0.13 -4.89 117.38 106.32 3pmg n GLN 487 Ca -0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 3pmg n GLN 487 Cb 0.55 -1.09 0.00 0.00 0.11 0.00 0.00 30.24 29.81 3pmg n GLN 487 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3pmg n GLY 488 N 0.43 4.47 3.62 1.08 0.00 -1.26 -4.80 105.19 108.73 3pmg n GLY 488 Ca 0.04 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 3pmg n GLY 488 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3pmg s LEU 489 N 0.00 4.09 -0.20 0.99 1.43 -0.13 -0.96 118.68 123.90 3pmg s LEU 489 Ca 0.00 0.66 -0.07 0.00 -1.03 0.00 0.00 54.13 53.69 3pmg s LEU 489 Cb 0.00 -2.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 3pmg s LEU 489 CO 0.00 -0.46 0.05 -0.13 0.23 0.00 0.00 176.35 176.04 3pmg s ARG 490 N 2.65 3.86 -0.31 1.70 0.52 0.19 -0.60 118.95 126.96 3pmg s ARG 490 Ca 0.28 -0.40 0.03 0.00 -0.52 0.00 0.00 55.73 55.11 3pmg s ARG 490 Cb -0.15 -3.20 0.08 0.00 0.52 0.00 0.00 34.95 32.20 3pmg s ARG 490 CO 0.10 0.16 -0.00 -0.51 0.02 0.00 0.00 175.30 175.06 3pmg s LEU 491 N 0.68 4.24 -0.28 2.53 1.02 -0.21 -2.71 118.68 123.95 3pmg s LEU 491 Ca 0.03 -1.79 -0.14 0.00 0.02 0.00 0.00 54.13 52.25 3pmg s LEU 491 Cb -0.13 -1.62 -0.04 0.00 0.02 0.00 0.00 46.19 44.42 3pmg s LEU 491 CO 0.02 -0.31 0.33 -0.63 0.02 0.00 0.00 176.35 175.77 3pmg s ILE 492 N 1.02 5.21 0.46 -0.59 1.01 -0.64 -1.91 121.20 125.77 3pmg s ILE 492 Ca 0.02 0.41 -0.00 0.00 0.00 0.00 0.00 60.65 61.08 3pmg s ILE 492 Cb -0.20 -3.67 -0.00 0.00 0.01 0.00 0.00 42.46 38.60 3pmg s ILE 492 CO -0.06 0.15 0.70 -0.36 0.00 0.00 0.00 174.94 175.37 3pmg s PHE 493 N 1.99 3.24 -0.33 3.97 0.08 -0.12 -0.63 117.98 126.17 3pmg s PHE 493 Ca 0.13 0.29 0.25 0.00 0.12 0.00 0.00 56.93 57.72 3pmg s PHE 493 Cb -0.16 -2.35 1.10 0.00 -0.57 0.00 0.00 43.02 41.04 3pmg s PHE 493 CO 0.10 -0.40 1.76 0.00 -0.10 0.00 0.00 175.22 176.58 3pmg h ALA 494 N 0.34 1.00 0.00 5.36 0.00 -1.26 -2.77 119.26 121.93 3pmg h ALA 494 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3pmg h ALA 494 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3pmg h ALA 494 CO 0.58 0.00 -0.19 -0.40 0.00 0.00 0.00 179.25 179.24 3pmg n ASP 495 N -2.37 0.25 0.00 0.00 5.75 -1.26 -4.92 116.55 114.01 3pmg n ASP 495 Ca 0.01 0.25 0.00 0.00 -0.01 0.00 0.00 54.79 55.04 3pmg n ASP 495 Cb 0.20 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 3pmg n ASP 495 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3pmg n GLY 496 N 1.48 0.79 3.91 6.12 0.00 -1.04 -4.90 105.19 111.54 3pmg n GLY 496 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 3pmg n GLY 496 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3pmg s SER 497 N -2.13 6.22 0.24 1.61 0.01 -1.26 -4.55 113.70 113.84 3pmg s SER 497 Ca 0.00 0.92 -0.10 0.00 1.31 0.00 0.00 55.95 58.09 3pmg s SER 497 Cb 0.00 -2.21 -0.01 0.00 0.21 0.00 0.00 66.02 64.00 3pmg s SER 497 CO 0.00 -0.62 0.40 -0.13 0.41 0.00 0.00 173.24 173.31 3pmg s ARG 498 N -4.77 1.50 -0.07 12.44 0.52 -0.53 -0.95 118.95 127.08 3pmg s ARG 498 Ca 0.48 -1.36 -0.04 0.00 -0.52 0.00 0.00 55.73 54.29 3pmg s ARG 498 Cb -0.10 0.43 0.04 0.00 0.52 0.00 0.00 34.95 35.83 3pmg s ARG 498 CO 0.45 -0.60 0.17 0.42 0.02 0.00 0.00 175.30 175.76 3pmg s ILE 499 N -3.99 -0.04 0.02 1.52 1.01 -0.80 -2.34 121.20 116.58 3pmg s ILE 499 Ca 0.26 0.16 0.07 0.00 0.00 0.00 0.00 60.65 61.15 3pmg s ILE 499 Cb 0.01 -0.27 -0.02 0.00 0.01 0.00 0.00 42.46 42.19 3pmg s ILE 499 CO 0.10 0.07 -0.22 -0.63 0.00 0.00 0.00 174.94 174.26 3pmg s ILE 500 N 1.13 1.75 -0.12 2.92 1.09 0.44 -1.04 121.20 127.37 3pmg s ILE 500 Ca -0.09 -1.12 0.01 0.00 -1.10 0.00 0.00 60.65 58.35 3pmg s ILE 500 Cb -0.11 -1.49 0.02 0.00 -1.06 0.00 0.00 42.46 39.82 3pmg s ILE 500 CO -0.06 0.34 -0.13 -0.36 -0.10 0.00 0.00 174.94 174.63 3pmg s PHE 501 N -0.69 1.87 0.04 3.97 0.40 0.23 -0.29 117.98 123.51 3pmg s PHE 501 Ca 0.08 -0.95 0.07 0.00 -0.60 0.00 0.00 56.93 55.54 3pmg s PHE 501 Cb -0.09 -1.40 -0.02 0.00 0.51 0.00 0.00 43.02 42.02 3pmg s PHE 501 CO 0.01 -0.54 -0.20 1.03 0.70 0.00 0.00 175.22 176.23 3pmg s ARG 502 N 1.32 1.33 -0.33 0.44 0.52 0.28 -0.95 118.95 121.55 3pmg s ARG 502 Ca -0.00 -0.89 0.03 0.00 -0.52 0.00 0.00 55.73 54.35 3pmg s ARG 502 Cb -0.14 -1.41 0.10 0.00 0.52 0.00 0.00 34.95 34.02 3pmg s ARG 502 CO -0.06 0.36 0.05 -1.17 0.02 0.00 0.00 175.30 174.50 3pmg s LEU 503 N -1.12 4.30 -0.66 2.53 2.96 -1.26 -2.26 118.68 123.18 3pmg s LEU 503 Ca 0.07 -2.02 -0.13 0.00 -0.22 0.00 0.00 54.13 51.82 3pmg s LEU 503 Cb -0.09 -1.51 0.17 0.00 0.50 0.00 0.00 46.19 45.26 3pmg s LEU 503 CO 0.02 -0.37 0.58 -0.94 -1.32 0.00 0.00 176.35 174.31 3pmg s SER 504 N 1.02 6.26 0.24 3.68 1.04 0.37 -4.91 113.70 121.40 3pmg s SER 504 Ca 0.09 -2.28 0.03 0.00 0.48 0.00 0.00 55.95 54.27 3pmg s SER 504 Cb -0.19 -2.14 0.03 0.00 0.10 0.00 0.00 66.02 63.81 3pmg s SER 504 CO -0.10 -0.67 0.22 0.61 0.98 0.00 0.00 173.24 174.28 3pmg n GLY 505 N 4.50 2.66 2.99 7.32 0.00 -1.26 -0.13 105.19 121.27 3pmg n GLY 505 Ca 0.00 -2.21 -0.12 0.00 0.00 0.00 0.00 46.02 43.69 3pmg n GLY 505 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3pmg s THR 506 N -1.02 0.00 -0.76 2.61 -4.23 0.25 -4.87 115.64 107.62 3pmg s THR 506 Ca 0.17 -0.01 -0.05 0.00 -1.18 0.00 0.00 61.69 60.62 3pmg s THR 506 Cb -0.01 -0.17 0.04 0.00 1.34 0.00 0.00 72.50 73.69 3pmg s THR 506 CO 0.11 -0.01 2.75 0.61 -0.54 0.00 0.00 174.62 177.54 3pmg n GLY 507 N 2.99 4.49 2.03 3.99 0.00 -1.26 -3.68 105.19 113.76 3pmg n GLY 507 Ca -0.13 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.04 3pmg n GLY 507 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3pmg n SER 508 N 1.48 -0.62 0.00 1.61 7.64 -1.26 -5.05 113.62 117.42 3pmg n SER 508 Ca 0.55 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.85 3pmg n SER 508 Cb 0.47 0.75 0.00 0.00 -1.01 0.00 0.00 64.21 64.42 3pmg n SER 508 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3pmg n ALA 509 N -3.23 2.36 -3.58 -0.43 0.00 -1.25 -5.17 120.51 109.22 3pmg n ALA 509 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3pmg n ALA 509 Cb 0.00 0.19 0.01 0.00 0.00 0.00 0.00 19.45 19.64 3pmg n ALA 509 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pmg n GLY 510 N 2.18 0.25 3.61 0.00 0.00 -1.24 -4.97 105.19 105.02 3pmg n GLY 510 Ca 0.00 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.75 3pmg n GLY 510 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3pmg s ALA 511 N -1.56 3.31 -0.19 4.61 0.00 -0.85 0.87 121.76 127.96 3pmg s ALA 511 Ca 0.18 -0.76 -0.08 0.00 0.00 0.00 0.00 51.96 51.30 3pmg s ALA 511 Cb -0.00 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 3pmg s ALA 511 CO -0.01 0.23 0.08 0.99 0.00 0.00 0.00 175.76 177.04 3pmg s THR 512 N 0.25 4.88 -0.24 0.00 2.01 0.82 -0.02 115.64 123.34 3pmg s THR 512 Ca 0.02 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.94 3pmg s THR 512 Cb -0.13 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 3pmg s THR 512 CO 0.01 0.45 0.10 -0.63 -0.69 0.00 0.00 174.62 173.85 3pmg s ILE 513 N 0.45 4.68 -0.35 1.82 1.01 0.99 -0.48 121.20 129.32 3pmg s ILE 513 Ca 0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 60.65 60.60 3pmg s ILE 513 Cb -0.12 -3.18 0.07 0.00 0.01 0.00 0.00 42.46 39.24 3pmg s ILE 513 CO 0.00 0.35 0.10 -0.60 0.00 0.00 0.00 174.94 174.80 3pmg s ARG 514 N 1.30 2.38 -0.23 2.79 3.52 -0.96 0.12 118.95 127.87 3pmg s ARG 514 Ca 0.05 -1.41 -0.05 0.00 -0.13 0.00 0.00 55.73 54.20 3pmg s ARG 514 Cb -0.15 -3.41 -0.01 0.00 -1.56 0.00 0.00 34.95 29.82 3pmg s ARG 514 CO 0.05 -0.78 -0.01 -1.17 -0.81 0.00 0.00 175.30 172.58 3pmg s LEU 515 N 1.28 3.09 -0.19 -0.88 2.96 0.16 -0.56 118.68 124.54 3pmg s LEU 515 Ca 0.00 -0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 53.52 3pmg s LEU 515 Cb -0.21 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 3pmg s LEU 515 CO -0.01 -0.03 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.65 3pmg s TYR 516 N 1.52 2.98 -0.22 5.38 1.51 0.60 -0.63 117.35 128.49 3pmg s TYR 516 Ca 0.06 -0.60 -0.04 0.00 -1.01 0.00 0.00 57.07 55.48 3pmg s TYR 516 Cb -0.15 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.66 3pmg s TYR 516 CO -0.01 -0.29 -0.04 0.42 -1.11 0.00 0.00 175.55 174.52 3pmg s ILE 517 N 0.96 3.41 -0.45 2.71 -1.09 -0.22 -0.42 121.20 126.10 3pmg s ILE 517 Ca 0.00 -0.50 0.03 0.00 -2.23 0.00 0.00 60.65 57.96 3pmg s ILE 517 Cb -0.15 -2.56 0.12 0.00 -1.58 0.00 0.00 42.46 38.29 3pmg s ILE 517 CO 0.01 0.40 0.19 -0.62 -1.23 0.00 0.00 174.94 173.70 3pmg s ASP 518 N 1.48 4.31 -0.56 3.58 2.15 -0.99 -1.15 116.67 125.50 3pmg s ASP 518 Ca 0.06 -2.65 -0.18 0.00 0.43 0.00 0.00 52.55 50.20 3pmg s ASP 518 Cb -0.14 -1.50 0.10 0.00 -0.30 0.00 0.00 42.92 41.08 3pmg s ASP 518 CO -0.03 -0.29 0.62 -0.44 -0.17 0.00 0.00 175.17 174.87 3pmg s SER 519 N 0.23 6.19 0.31 -0.34 0.01 -0.08 -1.46 113.70 118.55 3pmg s SER 519 Ca 0.15 -1.41 -0.28 0.00 1.31 0.00 0.00 55.95 55.72 3pmg s SER 519 Cb -0.23 -2.27 -0.09 0.00 0.21 0.00 0.00 66.02 63.63 3pmg s SER 519 CO -0.03 -0.99 1.05 -0.47 0.41 0.00 0.00 173.24 173.20 3pmg s TYR 520 N 2.37 3.57 -0.09 2.43 5.04 -1.26 -0.95 117.35 128.46 3pmg s TYR 520 Ca 0.10 1.73 -0.04 0.00 -2.44 0.00 0.00 57.07 56.42 3pmg s TYR 520 Cb -0.25 -3.16 0.04 0.00 0.35 0.00 0.00 41.96 38.95 3pmg s TYR 520 CO 0.06 -0.34 0.19 -2.00 -1.34 0.00 0.00 175.55 172.13 3pmg s GLU 521 N -1.74 0.13 0.00 4.97 2.56 0.36 -4.81 118.70 120.17 3pmg s GLU 521 Ca 0.48 0.48 0.07 0.00 0.00 0.00 0.00 54.97 56.00 3pmg s GLU 521 Cb -0.27 -0.16 -0.05 0.00 2.00 0.00 0.00 34.13 35.64 3pmg s GLU 521 CO 0.34 -0.19 0.34 1.17 -0.56 0.00 0.00 175.26 176.36 3pmg n LYS 522 N 4.46 4.19 -2.27 4.30 3.00 -1.26 -0.22 118.16 130.35 3pmg n LYS 522 Ca -0.22 -0.12 -0.43 0.00 -0.00 0.00 0.00 58.31 57.54 3pmg n LYS 522 Cb 0.52 -0.86 -0.02 0.00 0.00 0.00 0.00 35.03 34.67 3pmg n LYS 522 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3pmg s ASP 523 N -1.49 6.85 0.63 3.14 2.15 -1.26 -4.83 116.67 121.86 3pmg s ASP 523 Ca 0.03 1.90 0.22 0.00 0.43 0.00 0.00 52.55 55.14 3pmg s ASP 523 Cb 0.05 -2.54 1.08 0.00 -0.30 0.00 0.00 42.92 41.21 3pmg s ASP 523 CO 0.25 -0.81 1.58 -1.13 -0.17 0.00 0.00 175.17 174.90 3pmg h ASN 524 N 8.59 0.00 0.00 -0.34 -0.00 -1.97 0.43 115.58 122.29 3pmg h ASN 524 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.98 3pmg h ASN 524 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.45 3pmg h ASN 524 CO 0.96 0.00 -1.27 0.00 -0.00 0.00 0.00 177.43 177.12 3pmg n ALA 525 N -1.98 3.14 0.03 1.57 0.00 -1.26 -4.64 120.51 117.37 3pmg n ALA 525 Ca 0.06 -0.38 0.09 0.00 0.00 0.00 0.00 53.44 53.21 3pmg n ALA 525 Cb 0.82 -0.53 -0.09 0.00 0.00 0.00 0.00 19.45 19.65 3pmg n ALA 525 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3pmg n LYS 526 N -1.74 0.64 -0.30 0.00 5.02 0.15 -4.57 118.16 117.35 3pmg n LYS 526 Ca -0.00 -0.03 0.09 0.00 -2.02 0.00 0.00 58.31 56.35 3pmg n LYS 526 Cb 0.33 -1.67 0.31 0.00 -0.02 0.00 0.00 35.03 33.98 3pmg n LYS 526 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3pmg h ILE 527 N 0.00 0.90 -0.83 -0.18 2.04 -1.66 -3.00 117.51 114.77 3pmg h ILE 527 Ca -0.04 -0.29 -0.35 0.00 1.00 0.00 0.00 64.86 65.18 3pmg h ILE 527 Cb 1.10 -0.01 -0.21 0.00 -0.74 0.00 0.00 36.82 36.96 3pmg h ILE 527 CO 0.00 0.15 0.43 0.59 0.00 0.00 0.00 178.15 179.33 3pmg n ASN 528 N -4.57 4.21 -4.99 1.72 3.02 -1.26 -4.96 115.26 108.43 3pmg n ASN 528 Ca 0.17 -3.43 -0.19 0.00 -0.03 0.00 0.00 54.58 51.10 3pmg n ASN 528 Cb 0.38 -0.78 0.02 0.00 -0.61 0.00 0.00 39.78 38.79 3pmg n ASN 528 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3pmg s GLN 529 N -3.15 2.80 0.19 3.52 1.11 -1.14 -5.03 119.66 117.97 3pmg s GLN 529 Ca 0.55 -0.97 -0.32 0.00 0.01 0.00 0.00 55.36 54.63 3pmg s GLN 529 Cb 0.46 -2.66 -0.12 0.00 -1.01 0.00 0.00 33.01 29.68 3pmg s GLN 529 CO 0.12 -0.37 1.73 -3.47 0.01 0.00 0.00 175.29 173.31 3pmg n ASP 530 N -2.01 3.93 -0.28 5.90 2.03 -1.26 -4.90 116.55 119.97 3pmg n ASP 530 Ca 0.06 1.05 0.00 0.00 0.52 0.00 0.00 54.79 56.42 3pmg n ASP 530 Cb 0.59 -1.56 0.20 0.00 -0.72 0.00 0.00 41.12 39.63 3pmg n ASP 530 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3pmg h PRO 531 N 7.01 1.11 0.00 -0.67 0.13 -1.95 -1.58 132.00 136.04 3pmg h PRO 531 Ca -0.44 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 3pmg h PRO 531 Cb 1.21 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 3pmg h PRO 531 CO 0.95 0.73 -0.17 1.96 -0.23 0.00 0.00 178.00 181.24 3pmg h GLN 532 N 1.14 0.00 0.41 0.86 1.08 -1.98 0.51 115.11 117.13 3pmg h GLN 532 Ca 0.32 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.50 3pmg h GLN 532 Cb -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 3pmg h GLN 532 CO -0.08 0.17 -0.20 0.28 -0.95 0.00 0.00 178.83 178.06 3pmg h VAL 533 N 0.00 0.20 -0.15 -0.54 2.07 -1.89 -2.72 116.25 113.22 3pmg h VAL 533 Ca -0.00 -0.63 0.04 0.00 0.82 0.00 0.00 66.70 66.93 3pmg h VAL 533 Cb 0.37 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3pmg h VAL 533 CO 0.02 0.05 0.13 0.24 0.02 0.00 0.00 177.57 178.03 3pmg h MET 534 N -1.08 0.00 0.00 1.57 2.86 -0.75 -2.30 114.93 115.23 3pmg h MET 534 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3pmg h MET 534 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 3pmg h MET 534 CO 0.09 0.00 -0.78 1.28 1.06 0.00 0.00 176.91 178.56 3pmg n LEU 535 N -4.17 0.64 -0.10 1.22 4.77 0.12 -4.57 117.00 114.91 3pmg n LEU 535 Ca 0.01 -0.07 -0.06 0.00 -0.03 0.00 0.00 56.01 55.86 3pmg n LEU 535 Cb 0.25 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.20 3pmg n LEU 535 CO 0.31 0.10 0.81 0.00 -1.33 0.00 0.00 177.39 177.29 3pmg h ALA 536 N 2.80 0.26 -0.23 -1.18 0.00 -1.08 -2.20 119.26 117.63 3pmg h ALA 536 Ca 0.00 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3pmg h ALA 536 Cb 0.60 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 3pmg h ALA 536 CO 0.00 -0.44 -0.28 -1.35 0.00 0.00 0.00 179.25 177.18 3pmg h PRO 537 N 0.03 -0.29 0.00 0.00 0.11 -1.81 0.39 132.00 130.44 3pmg h PRO 537 Ca 0.17 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.25 3pmg h PRO 537 Cb 0.25 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 3pmg h PRO 537 CO -0.34 -0.19 -0.23 -0.07 -0.21 0.00 0.00 178.00 176.97 3pmg h LEU 538 N -0.30 0.00 -0.17 2.35 3.38 -1.83 0.03 115.31 118.77 3pmg h LEU 538 Ca 0.13 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.88 3pmg h LEU 538 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3pmg h LEU 538 CO -0.40 0.23 -0.96 0.40 0.09 0.00 0.00 178.44 177.80 3pmg h ILE 539 N 0.00 1.46 -0.14 1.22 2.04 -0.64 0.72 117.51 122.17 3pmg h ILE 539 Ca -0.00 -2.63 -0.02 0.00 1.00 0.00 0.00 64.86 63.20 3pmg h ILE 539 Cb 0.56 2.53 -0.00 0.00 -0.74 0.00 0.00 36.82 39.16 3pmg h ILE 539 CO 0.03 0.77 0.00 0.77 0.00 0.00 0.00 178.15 179.73 3pmg h SER 540 N 0.15 0.23 -0.68 1.72 4.64 -0.35 -0.83 113.55 118.44 3pmg h SER 540 Ca -0.07 -0.30 -0.01 0.00 -0.47 0.00 0.00 61.79 60.94 3pmg h SER 540 Cb 1.61 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 63.61 3pmg h SER 540 CO 0.16 0.48 0.39 0.40 -0.87 0.00 0.00 176.83 177.39 3pmg h ILE 541 N -0.02 1.20 -0.02 0.95 2.04 -1.05 -0.05 117.51 120.57 3pmg h ILE 541 Ca 0.04 -0.47 -0.11 0.00 1.00 0.00 0.00 64.86 65.32 3pmg h ILE 541 Cb 0.36 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3pmg h ILE 541 CO 0.01 0.21 -0.49 0.00 0.00 0.00 0.00 178.15 177.88 3pmg h ALA 542 N 1.20 1.16 -0.20 1.87 0.00 -0.56 -0.96 119.26 121.77 3pmg h ALA 542 Ca 0.24 -0.45 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 3pmg h ALA 542 Cb -0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3pmg h ALA 542 CO -0.04 0.62 -0.56 -0.07 0.00 0.00 0.00 179.25 179.19 3pmg h LEU 543 N 0.03 0.70 -0.03 0.00 4.07 -0.76 -3.01 115.31 116.31 3pmg h LEU 543 Ca -0.00 -0.38 -0.01 0.00 0.08 0.00 0.00 57.88 57.56 3pmg h LEU 543 Cb 0.88 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 42.42 3pmg h LEU 543 CO 0.07 1.11 -0.04 0.50 -1.08 0.00 0.00 178.44 179.00 3pmg h LYS 544 N 0.48 0.08 0.00 1.13 3.11 -0.81 -1.60 116.57 118.96 3pmg h LYS 544 Ca 0.01 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 3pmg h LYS 544 Cb 1.13 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.36 3pmg h LYS 544 CO 0.11 0.56 0.00 -0.24 -2.81 0.00 0.00 179.45 177.07 3pmg h VAL 545 N -0.39 0.00 -0.00 2.00 3.04 -1.26 -3.32 116.25 116.33 3pmg h VAL 545 Ca 0.01 -0.64 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 3pmg h VAL 545 Cb 0.54 1.61 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 3pmg h VAL 545 CO 0.01 0.00 -0.54 -1.54 -1.01 0.00 0.00 177.57 174.49 3pmg n SER 546 N -2.93 0.86 -3.83 3.17 3.41 -1.14 -4.90 113.62 108.27 3pmg n SER 546 Ca 0.02 -0.93 -0.24 0.00 -0.26 0.00 0.00 58.87 57.46 3pmg n SER 546 Cb 0.38 0.86 0.01 0.00 -0.26 0.00 0.00 64.21 65.20 3pmg n SER 546 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3pmg n GLN 547 N -1.01 -4.25 -0.10 4.33 1.13 -0.61 -4.85 117.38 112.03 3pmg n GLN 547 Ca 0.03 0.52 -0.12 0.00 -1.94 0.00 0.00 57.00 55.50 3pmg n GLN 547 Cb 0.23 -4.94 -0.04 0.00 0.11 0.00 0.00 30.24 25.61 3pmg n GLN 547 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3pmg h LEU 548 N -1.86 0.61 0.08 1.08 6.46 -1.89 0.13 115.31 119.92 3pmg h LEU 548 Ca -0.62 -0.41 -0.00 0.00 -0.12 0.00 0.00 57.88 56.73 3pmg h LEU 548 Cb 1.37 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 41.13 3pmg h LEU 548 CO 0.60 0.88 -0.04 -0.61 -0.62 0.00 0.00 178.44 178.66 3pmg h GLN 549 N 0.34 -0.10 -0.77 1.25 -0.00 -1.84 -0.88 115.11 113.11 3pmg h GLN 549 Ca 0.06 0.01 0.15 0.00 -0.00 0.00 0.00 58.65 58.87 3pmg h GLN 549 Cb 0.65 0.02 -0.05 0.00 0.00 0.00 0.00 27.48 28.10 3pmg h GLN 549 CO 0.04 0.15 0.51 0.93 0.00 0.00 0.00 178.83 180.47 3pmg h GLU 550 N -0.36 0.40 0.00 1.69 3.07 -1.90 0.75 114.58 118.23 3pmg h GLU 550 Ca -0.01 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3pmg h GLU 550 Cb 0.31 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 3pmg h GLU 550 CO 0.02 0.27 -0.97 0.54 -1.40 0.00 0.00 179.01 177.47 3pmg n ARG 551 N -4.48 0.77 0.00 2.33 1.74 0.44 -4.66 116.66 112.80 3pmg n ARG 551 Ca 0.15 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 3pmg n ARG 551 Cb 0.54 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 3pmg n ARG 551 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3pmg n THR 552 N -1.50 0.00 -0.96 0.55 -2.24 -0.35 -4.65 114.28 105.13 3pmg n THR 552 Ca 0.03 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3pmg n THR 552 Cb 0.31 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 3pmg n THR 552 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3pmg n GLY 553 N 1.36 0.87 3.63 3.38 0.00 0.26 -4.93 105.19 109.76 3pmg n GLY 553 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3pmg n GLY 553 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3pmg s ARG 554 N -0.10 3.94 0.00 1.61 1.81 -1.26 -4.89 118.95 120.06 3pmg s ARG 554 Ca 0.00 1.42 0.26 0.00 -1.72 0.00 0.00 55.73 55.69 3pmg s ARG 554 Cb 0.00 -3.90 0.61 0.00 -0.45 0.00 0.00 34.95 31.20 3pmg s ARG 554 CO 0.00 -1.10 1.48 0.25 -0.68 0.00 0.00 175.30 175.25 3pmg n THR 555 N 6.12 0.00 -3.44 0.02 -2.24 -1.26 -4.32 114.28 109.17 3pmg n THR 555 Ca 0.16 -0.01 -0.11 0.00 -2.27 0.00 0.00 64.05 61.81 3pmg n THR 555 Cb 0.46 0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.86 3pmg n THR 555 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3pmg s ALA 556 N -2.94 -1.65 0.32 6.98 0.00 -1.26 -5.12 121.76 118.09 3pmg s ALA 556 Ca 0.13 0.62 -0.27 0.00 0.00 0.00 0.00 51.96 52.44 3pmg s ALA 556 Cb 0.18 0.77 -0.09 0.00 0.00 0.00 0.00 23.12 23.98 3pmg s ALA 556 CO 0.66 -0.75 1.01 -1.25 0.00 0.00 0.00 175.76 175.44 3pmg s PRO 557 N -3.57 4.54 0.11 0.00 0.04 -1.26 -4.99 135.00 129.86 3pmg s PRO 557 Ca 0.02 1.53 -0.21 0.00 0.04 0.00 0.00 61.00 62.38 3pmg s PRO 557 Cb -0.01 -2.93 -0.10 0.00 0.04 0.00 0.00 34.50 31.51 3pmg s PRO 557 CO -0.12 0.20 1.74 1.15 0.04 0.00 0.00 177.00 180.01 3pmg h THR 558 N 2.73 0.97 -3.60 1.26 2.02 -0.14 -3.43 112.91 112.73 3pmg h THR 558 Ca -0.47 -0.03 -0.41 0.00 0.77 0.00 0.00 66.41 66.27 3pmg h THR 558 Cb 1.20 0.88 -0.32 0.00 -1.74 0.00 0.00 68.15 68.17 3pmg h THR 558 CO 0.65 0.02 -0.78 -0.69 0.37 0.00 0.00 175.52 175.09 3pmg s VAL 559 N -6.19 0.61 -0.03 3.16 1.01 -0.93 -5.02 120.40 113.02 3pmg s VAL 559 Ca -0.13 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.65 3pmg s VAL 559 Cb 0.08 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 3pmg s VAL 559 CO 0.68 0.22 -0.04 -0.63 0.00 0.00 0.00 175.10 175.33 3pmg s ILE 560 N 0.59 3.86 0.00 2.22 1.01 -1.26 -0.87 121.20 126.75 3pmg s ILE 560 Ca -0.08 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 59.97 3pmg s ILE 560 Cb -0.12 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.69 3pmg s ILE 560 CO 0.00 0.46 0.27 0.41 0.00 0.00 0.00 174.94 176.09