#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 3.86 -0.26 7.34 -2.85 -1.26 0.29 119.74 126.86 3pmg s LYS 2 Ca 0.00 0.32 -0.14 0.00 -1.00 0.00 0.00 55.97 55.15 3pmg s LYS 2 Cb 0.00 -2.93 -0.04 0.00 -2.06 0.00 0.00 37.83 32.80 3pmg s LYS 2 CO 0.00 0.50 0.35 0.42 0.10 0.00 0.00 175.35 176.72 3pmg s ILE 3 N -1.48 5.20 -0.10 3.79 1.01 -1.26 -4.35 121.20 124.00 3pmg s ILE 3 Ca 0.37 0.54 0.00 0.00 0.00 0.00 0.00 60.65 61.55 3pmg s ILE 3 Cb -0.14 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 3pmg s ILE 3 CO 0.19 0.18 -0.09 -0.69 0.00 0.00 0.00 174.94 174.53 3pmg s VAL 4 N 1.93 3.44 -0.28 2.92 1.01 0.10 -4.97 120.40 124.54 3pmg s VAL 4 Ca 0.14 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.44 3pmg s VAL 4 Cb -0.16 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 3pmg s VAL 4 CO 0.10 0.55 0.32 -0.89 0.00 0.00 0.00 175.10 175.17 3pmg s THR 5 N -0.19 5.22 -0.23 3.92 2.01 -1.26 -1.47 115.64 123.64 3pmg s THR 5 Ca 0.02 0.36 -0.08 0.00 0.31 0.00 0.00 61.69 62.30 3pmg s THR 5 Cb -0.13 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 3pmg s THR 5 CO 0.03 0.15 0.10 -0.69 -0.69 0.00 0.00 174.62 173.51 3pmg s VAL 6 N 1.97 4.75 0.25 3.82 1.01 0.71 -4.96 120.40 127.94 3pmg s VAL 6 Ca 0.12 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 3pmg s VAL 6 Cb -0.16 -3.20 -0.09 0.00 0.00 0.00 0.00 36.38 32.93 3pmg s VAL 6 CO 0.11 0.36 1.06 -0.75 0.00 0.00 0.00 175.10 175.87 3pmg s LYS 7 N 1.19 4.69 0.32 2.72 2.36 -1.26 -1.23 119.74 128.52 3pmg s LYS 7 Ca 0.05 1.71 0.04 0.00 -2.55 0.00 0.00 55.97 55.22 3pmg s LYS 7 Cb -0.14 -3.23 -0.03 0.00 -1.05 0.00 0.00 37.83 33.37 3pmg s LYS 7 CO 0.04 0.26 0.18 -0.08 1.55 0.00 0.00 175.35 177.30 3pmg s THR 8 N -0.96 0.26 -0.08 3.43 -1.32 0.21 -4.94 115.64 112.24 3pmg s THR 8 Ca 0.45 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.95 3pmg s THR 8 Cb -0.30 -2.49 0.01 0.00 -1.51 0.00 0.00 72.50 68.22 3pmg s THR 8 CO 0.37 0.00 -0.15 -0.54 -2.21 0.00 0.00 174.62 172.09 3pmg s LYS 9 N -3.74 2.07 0.79 7.08 1.02 -1.26 -4.63 119.74 121.07 3pmg s LYS 9 Ca 0.36 -0.53 -0.13 0.00 0.02 0.00 0.00 55.97 55.68 3pmg s LYS 9 Cb 0.04 -1.69 0.07 0.00 -0.52 0.00 0.00 37.83 35.74 3pmg s LYS 9 CO 0.19 0.03 1.20 0.00 -0.92 0.00 0.00 175.35 175.85 3pmg s ALA 10 N 0.70 1.91 0.18 5.17 0.00 -1.21 -5.03 121.76 123.48 3pmg s ALA 10 Ca -0.13 0.81 0.08 0.00 0.00 0.00 0.00 51.96 52.72 3pmg s ALA 10 Cb -0.16 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 3pmg s ALA 10 CO 0.03 -2.19 -0.02 0.71 0.00 0.00 0.00 175.76 174.29 3pmg s TYR 11 N -2.16 2.79 -0.19 0.00 1.51 -1.23 -5.03 117.35 113.04 3pmg s TYR 11 Ca 0.73 -0.16 0.18 0.00 -1.01 0.00 0.00 57.07 56.81 3pmg s TYR 11 Cb -0.28 -1.35 -0.01 0.00 -0.11 0.00 0.00 41.96 40.21 3pmg s TYR 11 CO 0.50 0.52 1.09 -1.00 -1.11 0.00 0.00 175.55 175.55 3pmg h PRO 12 N 2.73 0.00 -0.30 -1.71 0.13 -1.91 -3.38 132.00 127.56 3pmg h PRO 12 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3pmg h PRO 12 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3pmg h PRO 12 CO 0.57 0.23 0.00 -0.40 -0.23 0.00 0.00 178.00 178.18 3pmg n ASP 13 N -2.93 2.66 -2.72 1.44 5.75 -1.26 -4.72 116.55 114.77 3pmg n ASP 13 Ca -0.03 -1.88 -0.24 0.00 -0.01 0.00 0.00 54.79 52.63 3pmg n ASP 13 Cb 0.71 -0.19 -0.08 0.00 -1.03 0.00 0.00 41.12 40.53 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 0.97 2.61 -3.47 0.11 6.02 -1.26 -4.85 117.38 117.51 3pmg n GLN 14 Ca 0.18 -1.50 -0.43 0.00 -0.01 0.00 0.00 57.00 55.24 3pmg n GLN 14 Cb 0.48 -2.36 -0.10 0.00 1.02 0.00 0.00 30.24 29.27 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 1.91 3.02 0.22 -1.09 2.20 -1.26 -4.56 119.74 120.18 3pmg s LYS 15 Ca 0.61 -0.98 -0.31 0.00 -0.36 0.00 0.00 55.97 54.93 3pmg s LYS 15 Cb 0.22 -3.95 -0.10 0.00 -1.51 0.00 0.00 37.83 32.48 3pmg s LYS 15 CO -0.03 -0.71 1.53 -1.25 -0.36 0.00 0.00 175.35 174.53 3pmg s PRO 16 N 1.68 4.21 0.00 4.03 0.04 -1.26 -4.78 135.00 138.92 3pmg s PRO 16 Ca 0.05 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.48 3pmg s PRO 16 Cb -0.19 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.24 3pmg s PRO 16 CO 0.10 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.00 3pmg n GLY 17 N 2.91 1.23 0.19 0.56 0.00 -0.17 -4.83 105.19 105.08 3pmg n GLY 17 Ca 0.10 -1.96 0.14 0.00 0.00 0.00 0.00 46.02 44.30 3pmg n GLY 17 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3pmg h THR 18 N -0.08 0.00 -0.53 2.61 1.35 -1.96 0.10 112.91 114.40 3pmg h THR 18 Ca 0.00 -0.23 -0.29 0.00 -0.55 0.00 0.00 66.41 65.34 3pmg h THR 18 Cb 0.00 1.00 -0.17 0.00 -1.73 0.00 0.00 68.15 67.25 3pmg h THR 18 CO 0.00 0.00 0.07 -1.20 -0.25 0.00 0.00 175.52 174.14 3pmg n SER 19 N -2.51 3.05 -0.37 5.36 7.64 -1.26 -4.92 113.62 120.61 3pmg n SER 19 Ca 0.01 -3.76 0.00 0.00 1.01 0.00 0.00 58.87 56.12 3pmg n SER 19 Cb 0.20 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 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 -1.11 -0.31 3.47 0.23 0.00 0.35 -4.57 105.19 103.26 3pmg n GLY 20 Ca 0.41 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 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 4.52 -0.17 0.99 2.96 -0.61 -1.00 118.68 125.37 3pmg s LEU 21 Ca 0.00 -0.74 -0.10 0.00 -0.22 0.00 0.00 54.13 53.07 3pmg s LEU 21 Cb 0.00 -2.58 -0.05 0.00 0.50 0.00 0.00 46.19 44.06 3pmg s LEU 21 CO 0.00 -1.17 0.16 -0.60 -1.32 0.00 0.00 176.35 173.42 3pmg s ARG 22 N 3.49 4.03 -0.01 1.98 3.52 -1.26 -1.35 118.95 129.35 3pmg s ARG 22 Ca 0.23 -0.14 -0.23 0.00 -0.13 0.00 0.00 55.73 55.45 3pmg s ARG 22 Cb -0.16 -3.37 0.05 0.00 -1.56 0.00 0.00 34.95 29.91 3pmg s ARG 22 CO 0.14 0.40 0.51 0.15 -0.81 0.00 0.00 175.30 175.69 3pmg s LYS 23 N 0.04 0.93 0.35 5.12 -0.14 -0.44 -4.99 119.74 120.60 3pmg s LYS 23 Ca 0.11 -0.04 -0.27 0.00 -1.36 0.00 0.00 55.97 54.41 3pmg s LYS 23 Cb -0.12 0.43 -0.12 0.00 -1.68 0.00 0.00 37.83 36.34 3pmg s LYS 23 CO 0.00 -0.30 1.10 0.54 -0.76 0.00 0.00 175.35 175.94 3pmg n ARG 24 N 0.87 1.61 -0.32 1.68 5.12 -1.26 -0.85 116.66 123.51 3pmg n ARG 24 Ca -0.20 0.57 0.04 0.00 -1.93 0.00 0.00 57.85 56.34 3pmg n ARG 24 Cb 0.58 -2.07 0.19 0.00 -1.16 0.00 0.00 32.46 30.00 3pmg n ARG 24 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3pmg h VAL 25 N 2.04 0.93 0.00 1.55 2.07 -1.09 -0.89 116.25 120.86 3pmg h VAL 25 Ca -0.43 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 3pmg h VAL 25 Cb 1.32 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3pmg h VAL 25 CO 0.60 0.16 -0.01 0.11 0.02 0.00 0.00 177.57 178.45 3pmg h LYS 26 N 0.89 0.00 -0.42 1.57 1.57 -1.82 -1.75 116.57 116.61 3pmg h LYS 26 Ca 0.43 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.19 3pmg h LYS 26 Cb 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3pmg h LYS 26 CO -0.25 0.01 0.15 0.28 -0.57 0.00 0.00 179.45 179.08 3pmg h VAL 27 N 0.00 1.21 0.06 0.50 2.07 -1.51 0.56 116.25 119.14 3pmg h VAL 27 Ca -0.00 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 3pmg h VAL 27 Cb 0.03 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3pmg h VAL 27 CO 0.00 0.24 -0.03 -0.26 0.02 0.00 0.00 177.57 177.54 3pmg h PHE 28 N 0.54 -0.07 0.00 1.57 0.04 -1.39 -1.46 116.94 116.16 3pmg h PHE 28 Ca 0.14 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 3pmg h PHE 28 Cb 0.22 0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.39 3pmg h PHE 28 CO 0.01 0.14 0.00 0.00 -0.60 0.00 0.00 178.31 177.85 3pmg n GLN 29 N -5.03 0.15 -0.04 1.51 10.64 -0.85 -3.76 117.38 120.00 3pmg n GLN 29 Ca -0.08 0.15 0.01 0.00 -1.83 0.00 0.00 57.00 55.25 3pmg n GLN 29 Cb 0.14 -1.69 -0.12 0.00 -0.86 0.00 0.00 30.24 27.72 3pmg n GLN 29 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3pmg n SER 30 N -1.95 1.50 -4.53 2.61 3.41 0.19 -4.85 113.62 110.00 3pmg n SER 30 Ca 0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.25 3pmg n SER 30 Cb 0.37 1.30 -0.03 0.00 -0.26 0.00 0.00 64.21 65.59 3pmg n SER 30 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3pmg s SER 31 N -4.23 6.26 -0.24 4.04 0.01 -0.56 -4.96 113.70 114.03 3pmg s SER 31 Ca -0.06 -0.41 -0.40 0.00 1.31 0.00 0.00 55.95 56.38 3pmg s SER 31 Cb 0.07 -2.50 -0.18 0.00 0.21 0.00 0.00 66.02 63.61 3pmg s SER 31 CO 0.61 -1.55 1.23 0.41 0.41 0.00 0.00 173.24 174.35 3pmg n THR 32 N 6.32 0.00 -1.33 1.44 -1.04 -1.26 -1.02 114.28 117.38 3pmg n THR 32 Ca 0.03 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.92 3pmg n THR 32 Cb 0.48 -0.24 -0.05 0.00 -1.82 0.00 0.00 70.33 68.70 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 2.57 -5.41 0.41 8.00 4.13 -1.26 -4.93 115.26 118.77 3pmg n ASN 33 Ca 0.24 0.28 -0.16 0.00 1.68 0.00 0.00 54.58 56.62 3pmg n ASN 33 Cb 0.01 -3.92 -0.08 0.00 -1.54 0.00 0.00 39.78 34.25 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 -0.99 -0.08 3.10 3.20 -1.35 -0.94 116.97 119.91 3pmg h TYR 34 Ca -0.23 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.61 3pmg h TYR 34 Cb 1.09 0.33 -0.00 0.00 1.54 0.00 0.00 36.73 39.68 3pmg h TYR 34 CO 0.54 -0.62 0.05 0.00 -1.64 0.00 0.00 178.16 176.49 3pmg h ALA 35 N -1.31 0.11 -0.73 1.82 0.00 -1.82 -1.77 119.26 115.55 3pmg h ALA 35 Ca -0.11 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.88 3pmg h ALA 35 Cb 0.82 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 3pmg h ALA 35 CO 0.18 -0.39 0.38 0.93 0.00 0.00 0.00 179.25 180.35 3pmg h GLU 36 N 0.10 0.64 -0.19 0.00 3.07 -1.95 0.81 114.58 117.05 3pmg h GLU 36 Ca 0.03 -0.04 -0.17 0.00 -0.50 0.00 0.00 59.36 58.68 3pmg h GLU 36 Cb 0.01 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 27.77 3pmg h GLU 36 CO -0.01 0.42 -0.59 -0.91 -1.40 0.00 0.00 179.01 176.53 3pmg h ASN 37 N 0.66 0.70 -0.23 1.42 2.35 -0.96 -1.48 115.58 118.04 3pmg h ASN 37 Ca 0.36 -0.39 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 3pmg h ASN 37 Cb 0.35 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 3pmg h ASN 37 CO -0.26 1.13 0.08 0.15 -1.65 0.00 0.00 177.43 176.89 3pmg h PHE 38 N 0.47 0.36 0.06 1.19 3.57 -0.37 0.09 116.94 122.31 3pmg h PHE 38 Ca 0.00 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 3pmg h PHE 38 Cb 1.16 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.79 3pmg h PHE 38 CO 0.05 0.41 -0.03 0.82 -2.23 0.00 0.00 178.31 177.33 3pmg h ILE 39 N 0.21 1.01 -0.82 1.41 2.04 -0.89 0.00 117.51 120.48 3pmg h ILE 39 Ca 0.08 -0.26 0.11 0.00 1.00 0.00 0.00 64.86 65.79 3pmg h ILE 39 Cb 0.21 1.18 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 3pmg h ILE 39 CO -0.00 0.06 0.53 -0.61 0.00 0.00 0.00 178.15 178.13 3pmg h GLN 40 N -0.20 0.67 -0.44 2.37 5.75 -1.23 -1.39 115.11 120.64 3pmg h GLN 40 Ca -0.01 -0.04 -0.10 0.00 -0.15 0.00 0.00 58.65 58.35 3pmg h GLN 40 Cb 0.17 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 3pmg h GLN 40 CO 0.01 0.44 -0.12 0.77 -2.65 0.00 0.00 178.83 177.29 3pmg h SER 41 N 0.69 0.79 0.37 -0.69 0.02 0.62 -1.05 113.55 114.30 3pmg h SER 41 Ca 0.39 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 3pmg h SER 41 Cb 0.56 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3pmg h SER 41 CO -0.16 0.93 -0.18 0.40 -1.14 0.00 0.00 176.83 176.68 3pmg h ILE 42 N 0.72 0.65 -0.93 3.27 2.04 0.03 -3.11 117.51 120.17 3pmg h ILE 42 Ca 0.12 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.80 3pmg h ILE 42 Cb 0.61 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 3pmg h ILE 42 CO 0.04 0.05 0.61 0.40 0.00 0.00 0.00 178.15 179.24 3pmg h ILE 43 N -0.62 1.11 -0.04 -0.67 2.04 -1.33 0.04 117.51 118.04 3pmg h ILE 43 Ca -0.05 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.44 3pmg h ILE 43 Cb 0.45 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 3pmg h ILE 43 CO 0.08 0.20 0.08 0.28 0.00 0.00 0.00 178.15 178.79 3pmg h SER 44 N 1.12 0.00 0.07 1.72 0.02 -1.15 0.75 113.55 116.07 3pmg h SER 44 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 3pmg h SER 44 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3pmg h SER 44 CO -0.13 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 175.91 3pmg n THR 45 N -3.43 0.05 -3.69 -2.27 -2.24 0.00 -4.55 114.28 98.15 3pmg n THR 45 Ca -0.02 0.01 -0.37 0.00 -2.27 0.00 0.00 64.05 61.40 3pmg n THR 45 Cb 0.16 -0.66 -0.12 0.00 -2.10 0.00 0.00 70.33 67.61 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 -2.09 4.60 -0.14 2.28 1.01 0.25 -5.04 120.40 121.28 3pmg s VAL 46 Ca 0.32 -0.15 -0.39 0.00 0.00 0.00 0.00 61.98 61.76 3pmg s VAL 46 Cb 0.15 -3.20 -0.16 0.00 0.00 0.00 0.00 36.38 33.16 3pmg s VAL 46 CO 0.27 0.26 1.55 -0.62 0.00 0.00 0.00 175.10 176.56 3pmg n GLU 47 N 4.97 1.04 -0.51 2.72 -0.58 -1.26 -4.82 120.64 122.19 3pmg n GLU 47 Ca -0.15 0.38 0.43 0.00 -0.42 0.00 0.00 57.16 57.39 3pmg n GLU 47 Cb 0.51 -2.03 0.76 0.00 -0.57 0.00 0.00 31.44 30.11 3pmg n GLU 47 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3pmg h PRO 48 N 5.88 0.03 -0.00 3.49 0.13 -1.93 0.85 132.00 140.44 3pmg h PRO 48 Ca -0.47 -0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.50 3pmg h PRO 48 Cb 1.33 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 3pmg h PRO 48 CO 0.88 0.02 -0.76 0.00 -0.23 0.00 0.00 178.00 177.91 3pmg h ALA 49 N 1.27 0.74 -0.00 -0.56 0.00 -1.99 -3.06 119.26 115.66 3pmg h ALA 49 Ca 0.77 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3pmg h ALA 49 Cb 2.94 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 20.61 3pmg h ALA 49 CO -0.08 0.92 -0.04 1.04 0.00 0.00 0.00 179.25 181.09 3pmg n GLN 50 N -3.66 0.65 -0.01 0.00 6.02 0.29 -4.42 117.38 116.24 3pmg n GLN 50 Ca -0.01 -0.10 -0.12 0.00 -0.01 0.00 0.00 57.00 56.76 3pmg n GLN 50 Cb 0.73 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.50 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 0.24 0.64 -0.42 -1.09 3.08 -1.55 -3.21 114.38 112.07 3pmg h ARG 51 Ca 0.00 -0.44 -0.02 0.00 0.07 0.00 0.00 59.98 59.59 3pmg h ARG 51 Cb 0.26 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3pmg h ARG 51 CO 0.00 1.05 0.18 0.37 -1.07 0.00 0.00 179.97 180.50 3pmg h GLN 52 N 0.48 0.60 -0.02 0.04 5.75 -1.68 0.45 115.11 120.73 3pmg h GLN 52 Ca -0.00 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 3pmg h GLN 52 Cb 1.18 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.61 3pmg h GLN 52 CO 0.12 0.49 -0.16 0.39 -2.65 0.00 0.00 178.83 177.02 3pmg n GLU 53 N -4.38 1.54 -2.75 1.69 -0.58 -1.26 -3.46 120.64 111.44 3pmg n GLU 53 Ca 0.03 -1.09 -0.31 0.00 -0.42 0.00 0.00 57.16 55.37 3pmg n GLU 53 Cb 0.14 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.49 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 -2.22 3.24 -0.04 0.62 0.00 -0.75 -4.91 121.76 117.69 3pmg s ALA 54 Ca 0.28 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.27 3pmg s ALA 54 Cb 0.20 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.45 3pmg s ALA 54 CO 0.42 -0.02 -0.15 0.99 0.00 0.00 0.00 175.76 177.00 3pmg s THR 55 N -2.38 1.28 -0.15 0.00 2.01 -1.26 -2.17 115.64 112.96 3pmg s THR 55 Ca 0.55 -0.62 -0.01 0.00 0.31 0.00 0.00 61.69 61.92 3pmg s THR 55 Cb -0.10 -1.11 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 3pmg s THR 55 CO 0.28 0.38 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.71 3pmg s LEU 56 N 0.16 2.73 -0.06 4.42 1.43 -0.35 -0.86 118.68 126.14 3pmg s LEU 56 Ca -0.05 -0.35 -0.22 0.00 -1.03 0.00 0.00 54.13 52.47 3pmg s LEU 56 Cb -0.12 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 3pmg s LEU 56 CO 0.02 0.12 0.65 -0.69 0.23 0.00 0.00 176.35 176.69 3pmg s VAL 57 N 0.62 5.04 -0.06 -1.59 1.01 -0.90 -1.01 120.40 123.51 3pmg s VAL 57 Ca -0.07 1.35 0.03 0.00 0.00 0.00 0.00 61.98 63.29 3pmg s VAL 57 Cb -0.15 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.24 3pmg s VAL 57 CO 0.03 0.29 -0.14 -0.69 0.00 0.00 0.00 175.10 174.58 3pmg s VAL 58 N 0.63 1.26 0.06 2.92 1.01 -0.48 -1.36 120.40 124.44 3pmg s VAL 58 Ca 0.35 -0.56 -0.27 0.00 0.00 0.00 0.00 61.98 61.50 3pmg s VAL 58 Cb -0.17 -1.13 0.09 0.00 0.00 0.00 0.00 36.38 35.17 3pmg s VAL 58 CO 0.17 0.38 0.89 -0.83 0.00 0.00 0.00 175.10 175.70 3pmg s GLY 59 N 0.51 -0.39 0.15 4.51 0.00 -0.69 -3.00 107.32 108.40 3pmg s GLY 59 Ca -0.13 0.66 0.01 0.00 0.00 0.00 0.00 44.72 45.26 3pmg s GLY 59 CO 0.04 0.21 0.19 0.61 0.00 0.00 0.00 173.10 174.14 3pmg n GLY 60 N -0.33 2.98 0.74 0.20 0.00 -0.52 -0.52 105.19 107.74 3pmg n GLY 60 Ca -0.08 -1.58 0.09 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.08 2.17 0.00 1.61 5.68 -0.68 -2.33 116.55 120.91 3pmg n ASP 61 Ca 0.01 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.41 3pmg n ASP 61 Cb 0.26 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 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 1.19 3.25 3.62 6.12 0.00 -1.26 -3.24 105.19 114.87 3pmg n GLY 62 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.26 -1.53 1.61 1.85 -1.26 -4.10 116.66 110.96 3pmg n ARG 63 Ca 0.00 -0.01 -0.41 0.00 -1.00 0.00 0.00 57.85 56.43 3pmg n ARG 63 Cb 0.00 -2.28 0.01 0.00 -1.05 0.00 0.00 32.46 29.14 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 -3.86 0.33 -0.05 2.89 7.35 -0.17 -2.05 117.46 121.90 3pmg n PHE 64 Ca 0.11 0.57 0.00 0.00 -0.76 0.00 0.00 57.45 57.37 3pmg n PHE 64 Cb 0.52 -2.10 0.00 0.00 0.35 0.00 0.00 39.48 38.24 3pmg n PHE 64 CO 0.00 0.00 0.00 0.98 -0.76 0.00 0.00 176.76 176.98 3pmg n TYR 65 N -0.80 0.00 0.25 -5.13 9.36 -1.26 -4.75 117.16 114.82 3pmg n TYR 65 Ca 0.11 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.17 3pmg n TYR 65 Cb 0.40 -0.31 -0.08 0.00 -0.63 0.00 0.00 39.34 38.72 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 1.44 -0.56 -0.68 2.98 4.05 -1.75 0.83 114.93 121.24 3pmg h MET 66 Ca 0.00 0.04 0.13 0.00 -0.28 0.00 0.00 59.70 59.59 3pmg h MET 66 Cb 0.00 0.13 -0.09 0.00 -0.80 0.00 0.00 31.60 30.84 3pmg h MET 66 CO 0.00 -0.35 0.21 0.87 0.23 0.00 0.00 176.91 177.87 3pmg h LYS 67 N -0.62 0.34 -0.23 0.39 6.56 -1.90 -0.72 116.57 120.39 3pmg h LYS 67 Ca -0.06 -0.02 -0.03 0.00 -1.06 0.00 0.00 60.65 59.48 3pmg h LYS 67 Cb 0.46 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.04 3pmg h LYS 67 CO 0.10 0.22 0.01 1.49 -2.06 0.00 0.00 179.45 179.21 3pmg h GLU 68 N 0.35 0.40 0.00 3.15 4.81 -1.95 -1.74 114.58 119.59 3pmg h GLU 68 Ca 0.37 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.40 3pmg h GLU 68 Cb 0.55 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3pmg h GLU 68 CO -0.41 0.57 -0.34 0.00 -0.73 0.00 0.00 179.01 178.10 3pmg h ALA 69 N 0.81 1.33 -0.28 2.92 0.00 -0.21 -2.89 119.26 120.94 3pmg h ALA 69 Ca 0.07 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 3pmg h ALA 69 Cb 0.38 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3pmg h ALA 69 CO 0.01 0.42 -0.07 0.82 0.00 0.00 0.00 179.25 180.44 3pmg h ILE 70 N 0.00 1.28 -0.85 0.00 2.04 -0.88 -1.14 117.51 117.97 3pmg h ILE 70 Ca -0.00 -1.09 0.05 0.00 1.00 0.00 0.00 64.86 64.81 3pmg h ILE 70 Cb 0.64 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 38.10 3pmg h ILE 70 CO 0.04 0.35 0.56 1.56 0.00 0.00 0.00 178.15 180.66 3pmg h GLN 71 N 0.29 0.98 -0.25 2.37 1.08 -1.23 -1.72 115.11 116.64 3pmg h GLN 71 Ca 0.07 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3pmg h GLN 71 Cb 0.55 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 3pmg h GLN 71 CO 0.03 0.65 0.15 -0.07 -0.95 0.00 0.00 178.83 178.64 3pmg h LEU 72 N 1.01 0.30 -0.85 1.46 3.38 -1.29 -2.04 115.31 117.28 3pmg h LEU 72 Ca 0.35 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.33 3pmg h LEU 72 Cb 0.11 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3pmg h LEU 72 CO -0.11 0.27 0.53 0.40 0.09 0.00 0.00 178.44 179.61 3pmg h ILE 73 N 0.31 1.04 -0.13 1.22 2.04 -0.45 -2.24 117.51 119.30 3pmg h ILE 73 Ca 0.09 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3pmg h ILE 73 Cb 0.02 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.08 3pmg h ILE 73 CO -0.02 0.18 0.09 0.58 0.00 0.00 0.00 178.15 178.98 3pmg h VAL 74 N 0.97 1.04 -0.83 1.67 2.07 -1.11 0.14 116.25 120.20 3pmg h VAL 74 Ca 0.37 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.76 3pmg h VAL 74 Cb 0.16 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 3pmg h VAL 74 CO -0.17 0.04 0.38 0.03 0.02 0.00 0.00 177.57 177.87 3pmg h ARG 75 N 0.17 1.21 0.17 1.57 3.08 -1.05 -1.26 114.38 118.27 3pmg h ARG 75 Ca 0.05 -0.19 -0.24 0.00 0.07 0.00 0.00 59.98 59.67 3pmg h ARG 75 Cb -0.01 -0.21 0.03 0.00 0.08 0.00 0.00 29.97 29.86 3pmg h ARG 75 CO -0.01 0.94 -1.06 0.82 -1.07 0.00 0.00 179.97 179.60 3pmg h ILE 76 N 1.19 1.41 -0.77 2.04 2.04 -1.36 -1.41 117.51 120.65 3pmg h ILE 76 Ca 0.28 -2.55 -0.05 0.00 1.00 0.00 0.00 64.86 63.54 3pmg h ILE 76 Cb 0.15 3.07 -0.03 0.00 -0.74 0.00 0.00 36.82 39.26 3pmg h ILE 76 CO -0.03 0.74 0.28 0.00 0.00 0.00 0.00 178.15 179.14 3pmg h ALA 77 N 0.14 1.04 0.26 1.87 0.00 -0.73 -1.12 119.26 120.73 3pmg h ALA 77 Ca -0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3pmg h ALA 77 Cb 1.82 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3pmg h ALA 77 CO 0.20 0.66 -0.13 0.00 0.00 0.00 0.00 179.25 179.99 3pmg h ALA 78 N 1.17 -0.35 0.00 0.00 0.00 -1.31 -2.18 119.26 116.60 3pmg h ALA 78 Ca 0.25 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3pmg h ALA 78 Cb 0.25 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3pmg h ALA 78 CO -0.02 -0.68 -0.01 0.00 0.00 0.00 0.00 179.25 178.55 3pmg h ALA 79 N 0.34 1.03 -0.05 0.00 0.00 -1.32 -2.46 119.26 116.79 3pmg h ALA 79 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3pmg h ALA 79 Cb 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3pmg h ALA 79 CO 0.06 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.41 3pmg n ASN 80 N -3.14 1.75 0.00 0.00 3.02 -0.44 -4.85 115.26 111.60 3pmg n ASN 80 Ca -0.02 -1.60 0.00 0.00 -0.03 0.00 0.00 54.58 52.93 3pmg n ASN 80 Cb 0.17 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 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 1.20 0.74 3.70 7.41 0.00 -0.93 -4.96 105.19 112.36 3pmg n GLY 81 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.51 3.05 0.12 -0.61 1.09 -0.85 -2.37 121.20 119.11 3pmg s ILE 82 Ca 0.00 0.66 -0.17 0.00 -1.10 0.00 0.00 60.65 60.03 3pmg s ILE 82 Cb 0.00 -3.42 -0.03 0.00 -1.06 0.00 0.00 42.46 37.95 3pmg s ILE 82 CO 0.00 0.03 1.67 1.23 -0.10 0.00 0.00 174.94 177.77 3pmg h GLY 83 N 7.54 0.53 -5.03 6.18 0.00 -0.86 -3.43 103.07 107.99 3pmg h GLY 83 Ca -0.42 -0.28 -0.17 0.00 0.00 0.00 0.00 47.33 46.46 3pmg h GLY 83 CO 0.91 0.27 -0.58 -1.60 0.00 0.00 0.00 176.54 175.53 3pmg s ARG 84 N -5.58 0.33 -0.08 4.80 3.52 -0.92 -0.52 118.95 120.50 3pmg s ARG 84 Ca -0.13 -0.30 0.04 0.00 -0.13 0.00 0.00 55.73 55.21 3pmg s ARG 84 Cb 0.09 0.13 0.00 0.00 -1.56 0.00 0.00 34.95 33.62 3pmg s ARG 84 CO 0.74 -0.07 -0.20 -0.51 -0.81 0.00 0.00 175.30 174.45 3pmg s LEU 85 N -0.98 1.93 -0.27 -0.88 1.43 -0.51 -1.21 118.68 118.19 3pmg s LEU 85 Ca -0.11 -0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 52.47 3pmg s LEU 85 Cb -0.06 -1.17 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 3pmg s LEU 85 CO 0.00 0.13 0.10 -0.69 0.23 0.00 0.00 176.35 176.13 3pmg s VAL 86 N 0.33 4.46 -0.08 -1.59 1.01 -0.18 -1.27 120.40 123.08 3pmg s VAL 86 Ca -0.14 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.67 3pmg s VAL 86 Cb -0.16 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 3pmg s VAL 86 CO 0.06 0.26 -0.17 -0.63 0.00 0.00 0.00 175.10 174.62 3pmg s ILE 87 N 1.63 2.75 0.62 2.22 1.01 -0.72 -1.38 121.20 127.32 3pmg s ILE 87 Ca 0.06 -0.81 -0.19 0.00 0.00 0.00 0.00 60.65 59.71 3pmg s ILE 87 Cb -0.16 -2.08 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 3pmg s ILE 87 CO 0.05 0.56 1.27 -0.83 0.00 0.00 0.00 174.94 175.99 3pmg s GLY 88 N -0.23 2.82 0.22 6.18 0.00 -1.16 -1.97 107.32 113.17 3pmg s GLY 88 Ca 0.00 1.15 -0.32 0.00 0.00 0.00 0.00 44.72 45.56 3pmg s GLY 88 CO 0.03 1.57 1.71 1.62 0.00 0.00 0.00 173.10 178.03 3pmg s GLN 89 N -3.32 4.12 -1.11 2.90 0.74 0.55 -0.46 119.66 123.09 3pmg s GLN 89 Ca 0.80 2.60 0.00 0.00 0.05 0.00 0.00 55.36 58.81 3pmg s GLN 89 Cb -0.35 -3.07 0.00 0.00 1.10 0.00 0.00 33.01 30.69 3pmg s GLN 89 CO 0.38 -0.74 0.00 0.09 -0.55 0.00 0.00 175.29 174.47 3pmg n ASN 90 N 3.77 -4.32 0.00 6.67 5.03 0.30 -2.26 115.26 124.44 3pmg n ASN 90 Ca 0.15 0.26 0.00 0.00 0.87 0.00 0.00 54.58 55.86 3pmg n ASN 90 Cb 0.35 -2.74 0.00 0.00 -1.02 0.00 0.00 39.78 36.37 3pmg n ASN 90 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3pmg n GLY 91 N -1.61 2.71 3.68 7.41 0.00 0.40 -4.93 105.19 112.84 3pmg n GLY 91 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.22 4.56 -0.29 -0.61 -1.09 -0.96 -1.43 121.20 119.16 3pmg s ILE 92 Ca 0.00 1.86 -0.03 0.00 -2.23 0.00 0.00 60.65 60.25 3pmg s ILE 92 Cb 0.00 -4.20 0.17 0.00 -1.58 0.00 0.00 42.46 36.85 3pmg s ILE 92 CO 0.00 -0.06 0.58 -0.22 -1.23 0.00 0.00 174.94 174.02 3pmg s LEU 93 N 2.52 -1.25 0.79 2.97 2.96 -0.98 -4.10 118.68 121.58 3pmg s LEU 93 Ca 0.50 0.96 -0.14 0.00 -0.22 0.00 0.00 54.13 55.23 3pmg s LEU 93 Cb -0.20 2.08 0.07 0.00 0.50 0.00 0.00 46.19 48.64 3pmg s LEU 93 CO 0.16 -0.25 1.17 -1.54 -1.32 0.00 0.00 176.35 174.57 3pmg n SER 94 N 5.43 1.01 -0.15 3.68 3.41 -1.26 -3.96 113.62 121.77 3pmg n SER 94 Ca -0.04 0.61 -0.04 0.00 -0.26 0.00 0.00 58.87 59.15 3pmg n SER 94 Cb 0.50 -1.50 0.05 0.00 -0.26 0.00 0.00 64.21 63.01 3pmg n SER 94 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3pmg h THR 95 N -0.71 0.85 -0.47 6.66 2.02 -1.69 0.42 112.91 119.99 3pmg h THR 95 Ca -0.47 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 66.56 3pmg h THR 95 Cb 1.31 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 3pmg h THR 95 CO 0.46 0.06 0.18 -0.65 0.37 0.00 0.00 175.52 175.95 3pmg h PRO 96 N 0.36 0.67 -0.38 6.66 0.11 -1.79 -1.57 132.00 136.07 3pmg h PRO 96 Ca 0.22 -0.09 -0.11 0.00 0.11 0.00 0.00 66.00 66.13 3pmg h PRO 96 Cb 0.22 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 3pmg h PRO 96 CO -0.22 0.56 -0.21 0.00 -0.21 0.00 0.00 178.00 177.91 3pmg h ALA 97 N 1.54 0.53 -0.94 -0.75 0.00 -1.58 -0.36 119.26 117.71 3pmg h ALA 97 Ca 0.16 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3pmg h ALA 97 Cb 0.14 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3pmg h ALA 97 CO -0.02 0.50 0.57 0.28 0.00 0.00 0.00 179.25 180.58 3pmg h VAL 98 N 0.60 1.26 -0.16 0.00 2.07 -0.20 -2.03 116.25 117.79 3pmg h VAL 98 Ca 0.08 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 3pmg h VAL 98 Cb 0.77 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3pmg h VAL 98 CO 0.06 0.27 0.06 -1.28 0.02 0.00 0.00 177.57 176.70 3pmg h SER 99 N 1.29 0.22 -0.29 0.57 0.87 -1.11 -2.12 113.55 112.98 3pmg h SER 99 Ca 0.34 -0.17 0.06 0.00 -1.23 0.00 0.00 61.79 60.79 3pmg h SER 99 Cb -0.06 -0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 61.78 3pmg h SER 99 CO -0.06 0.33 -0.12 0.00 -0.53 0.00 0.00 176.83 176.45 3pmg h ILE 101 N -0.07 1.25 -0.34 0.00 2.04 -1.31 -0.74 117.51 118.33 3pmg h ILE 101 Ca 0.15 -0.84 0.07 0.00 1.00 0.00 0.00 64.86 65.24 3pmg h ILE 101 Cb 0.29 1.40 -0.08 0.00 -0.74 0.00 0.00 36.82 37.68 3pmg h ILE 101 CO -0.33 0.26 -0.32 0.40 0.00 0.00 0.00 178.15 178.15 3pmg h ILE 102 N 0.13 0.25 -0.62 -0.67 2.04 -1.38 -1.04 117.51 116.21 3pmg h ILE 102 Ca 0.06 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 3pmg h ILE 102 Cb 0.37 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 3pmg h ILE 102 CO 0.01 0.00 0.35 0.03 0.00 0.00 0.00 178.15 178.54 3pmg h ARG 103 N -0.28 0.86 0.31 2.37 3.08 -1.47 0.16 114.38 119.42 3pmg h ARG 103 Ca 0.16 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 3pmg h ARG 103 Cb 0.53 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3pmg h ARG 103 CO -0.49 0.65 -0.15 -0.22 -1.07 0.00 0.00 179.97 178.68 3pmg h LYS 104 N 0.85 -0.40 -0.43 0.04 3.64 -0.86 -3.16 116.57 116.24 3pmg h LYS 104 Ca 0.22 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3pmg h LYS 104 Cb 0.03 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3pmg h LYS 104 CO -0.04 -0.20 0.00 0.44 -2.27 0.00 0.00 179.45 177.38 3pmg n ILE 105 N -5.23 0.57 -3.65 2.00 -5.35 -0.42 -4.92 119.36 102.37 3pmg n ILE 105 Ca -0.10 -0.62 -0.25 0.00 -0.27 0.00 0.00 62.75 61.51 3pmg n ILE 105 Cb 0.22 0.40 0.07 0.00 -1.74 0.00 0.00 39.64 38.58 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 0.90 -7.56 -1.68 6.28 4.76 0.35 -4.95 118.16 116.26 3pmg n LYS 106 Ca 0.17 0.79 -0.34 0.00 -2.87 0.00 0.00 58.31 56.06 3pmg n LYS 106 Cb 0.42 -5.82 0.06 0.00 -1.84 0.00 0.00 35.03 27.85 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 -3.32 2.34 0.36 7.82 0.00 -0.03 -4.80 121.76 124.13 3pmg s ALA 107 Ca 0.58 0.76 0.15 0.00 0.00 0.00 0.00 51.96 53.45 3pmg s ALA 107 Cb -0.26 -3.40 0.82 0.00 0.00 0.00 0.00 23.12 20.28 3pmg s ALA 107 CO 0.75 -1.48 1.86 0.97 0.00 0.00 0.00 175.76 177.85 3pmg h ILE 108 N 0.06 1.14 0.00 0.00 2.10 -1.34 -3.40 117.51 116.07 3pmg h ILE 108 Ca -0.48 -1.17 0.00 0.00 1.08 0.00 0.00 64.86 64.30 3pmg h ILE 108 Cb 1.27 1.65 0.00 0.00 -1.09 0.00 0.00 36.82 38.65 3pmg h ILE 108 CO 0.52 0.32 0.00 0.61 -1.08 0.00 0.00 178.15 178.53 3pmg n GLY 109 N -0.46 -1.28 3.16 8.18 0.00 -1.25 -1.46 105.19 112.08 3pmg n GLY 109 Ca -0.02 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 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 0.05 -0.20 -0.02 0.00 -0.61 -2.11 107.32 104.43 3pmg s GLY 110 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 44.72 44.41 3pmg s GLY 110 CO 0.00 -0.45 -0.10 -0.42 0.00 0.00 0.00 173.10 172.13 3pmg s ILE 111 N -2.40 2.88 -0.23 0.90 1.01 -0.46 -1.11 121.20 121.79 3pmg s ILE 111 Ca -0.06 -0.66 -0.07 0.00 0.00 0.00 0.00 60.65 59.86 3pmg s ILE 111 Cb -0.02 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 3pmg s ILE 111 CO -0.03 0.47 0.05 -0.63 0.00 0.00 0.00 174.94 174.80 3pmg s ILE 112 N 1.38 4.24 -0.96 2.92 1.01 -0.10 -1.71 121.20 127.99 3pmg s ILE 112 Ca 0.05 -0.20 -0.12 0.00 0.00 0.00 0.00 60.65 60.38 3pmg s ILE 112 Cb -0.14 -2.97 0.24 0.00 0.01 0.00 0.00 42.46 39.60 3pmg s ILE 112 CO -0.07 0.37 0.94 -0.76 0.00 0.00 0.00 174.94 175.42 3pmg s LEU 113 N 1.42 6.48 -0.06 2.97 2.01 0.32 -0.98 118.68 130.85 3pmg s LEU 113 Ca 0.05 -3.04 -0.06 0.00 0.01 0.00 0.00 54.13 51.09 3pmg s LEU 113 Cb -0.15 -2.22 0.01 0.00 0.01 0.00 0.00 46.19 43.84 3pmg s LEU 113 CO 0.03 -0.48 0.16 0.28 1.01 0.00 0.00 176.35 177.35 3pmg s THR 114 N -0.27 0.01 -0.04 5.49 -1.32 -1.10 -1.69 115.64 116.72 3pmg s THR 114 Ca 0.24 -0.07 -0.04 0.00 -1.21 0.00 0.00 61.69 60.62 3pmg s THR 114 Cb -0.10 -0.26 -0.02 0.00 -1.51 0.00 0.00 72.50 70.61 3pmg s THR 114 CO -0.08 -0.04 -0.09 0.00 -2.21 0.00 0.00 174.62 172.20 3pmg n ALA 115 N 2.84 2.54 0.00 11.08 0.00 -1.26 -3.64 120.51 132.07 3pmg n ALA 115 Ca -0.13 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.06 3pmg n ALA 115 Cb 0.59 0.35 0.00 0.00 0.00 0.00 0.00 19.45 20.38 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 -3.44 0.00 -1.58 0.00 1.44 -1.26 -4.79 115.22 105.60 3pmg n HIS 117 Ca -0.10 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.29 3pmg n HIS 117 Cb 0.45 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.62 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 0.00 4.87 0.49 4.39 -0.87 -1.26 -3.76 114.94 118.80 3pmg s ASN 118 Ca 0.00 1.95 -0.22 0.00 -1.57 0.00 0.00 52.86 53.02 3pmg s ASN 118 Cb 0.00 -2.54 -0.07 0.00 -0.02 0.00 0.00 41.25 38.62 3pmg s ASN 118 CO 0.00 -1.79 1.19 -2.16 -2.57 0.00 0.00 177.10 171.77 3pmg s PRO 119 N -4.37 3.55 0.54 -0.60 0.04 -1.26 -4.64 135.00 128.26 3pmg s PRO 119 Ca 0.65 1.83 0.04 0.00 0.04 0.00 0.00 61.00 63.56 3pmg s PRO 119 Cb -0.19 -2.30 0.02 0.00 0.04 0.00 0.00 34.50 32.07 3pmg s PRO 119 CO 0.47 -0.74 0.28 0.20 0.04 0.00 0.00 177.00 177.25 3pmg s GLY 120 N -1.37 2.58 0.00 0.56 0.00 -1.26 0.30 107.32 108.14 3pmg s GLY 120 Ca 0.67 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 44.44 3pmg s GLY 120 CO 0.35 -2.02 0.00 0.61 0.00 0.00 0.00 173.10 172.04 3pmg n GLY 121 N -1.62 1.46 0.57 0.20 0.00 -0.29 -3.94 105.19 101.56 3pmg n GLY 121 Ca -0.07 -2.03 0.38 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.01 1.61 0.11 -1.95 -0.38 132.00 131.38 3pmg h PRO 122 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3pmg h PRO 122 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3pmg h PRO 122 CO 0.00 0.00 -0.74 0.09 -0.21 0.00 0.00 178.00 177.14 3pmg n ASN 123 N -4.06 1.40 -3.13 -2.05 3.02 -1.26 -4.38 115.26 104.81 3pmg n ASN 123 Ca 0.29 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 3pmg n ASN 123 Cb 1.40 0.77 0.00 0.00 -0.61 0.00 0.00 39.78 41.34 3pmg n ASN 123 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pmg n GLY 124 N 1.44 -0.99 3.74 7.41 0.00 -0.15 -4.76 105.19 111.86 3pmg n GLY 124 Ca 0.06 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 3pmg n GLY 124 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3pmg s ASP 125 N -1.13 5.29 -0.01 1.61 1.01 0.15 -0.52 116.67 123.06 3pmg s ASP 125 Ca 0.00 -0.11 0.05 0.00 0.71 0.00 0.00 52.55 53.20 3pmg s ASP 125 Cb 0.00 -1.34 -0.01 0.00 1.01 0.00 0.00 42.92 42.58 3pmg s ASP 125 CO 0.00 0.15 -0.18 0.12 0.21 0.00 0.00 175.17 175.48 3pmg s PHE 126 N -1.43 1.57 0.01 4.23 5.36 -0.03 -4.54 117.98 123.15 3pmg s PHE 126 Ca 0.28 -0.30 0.03 0.00 -0.96 0.00 0.00 56.93 55.98 3pmg s PHE 126 Cb -0.12 -1.01 -0.01 0.00 -0.34 0.00 0.00 43.02 41.54 3pmg s PHE 126 CO 0.21 -0.03 -0.10 0.20 -1.46 0.00 0.00 175.22 174.04 3pmg s GLY 127 N -0.40 0.52 -0.25 13.12 0.00 -1.24 -1.33 107.32 117.73 3pmg s GLY 127 Ca 0.07 -0.54 0.02 0.00 0.00 0.00 0.00 44.72 44.27 3pmg s GLY 127 CO -0.01 -0.51 -0.09 -0.42 0.00 0.00 0.00 173.10 172.08 3pmg s ILE 128 N -0.55 1.97 -0.07 0.90 1.01 -0.46 -2.69 121.20 121.31 3pmg s ILE 128 Ca 0.01 -1.53 0.01 0.00 0.00 0.00 0.00 60.65 59.14 3pmg s ILE 128 Cb -0.05 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 3pmg s ILE 128 CO 0.00 -0.07 -0.06 -0.75 0.00 0.00 0.00 174.94 174.06 3pmg s LYS 129 N 1.19 2.77 -0.17 2.79 2.20 -0.15 -1.57 119.74 126.80 3pmg s LYS 129 Ca -0.07 -0.54 -0.02 0.00 -0.36 0.00 0.00 55.97 54.98 3pmg s LYS 129 Cb -0.20 -2.62 -0.01 0.00 -1.51 0.00 0.00 37.83 33.50 3pmg s LYS 129 CO -0.06 0.67 -0.08 0.12 -0.36 0.00 0.00 175.35 175.64 3pmg s PHE 130 N -0.84 2.90 0.07 4.03 5.36 -1.26 -0.92 117.98 127.33 3pmg s PHE 130 Ca 0.13 -0.75 0.03 0.00 -0.96 0.00 0.00 56.93 55.38 3pmg s PHE 130 Cb -0.11 -1.97 -0.04 0.00 -0.34 0.00 0.00 43.02 40.56 3pmg s PHE 130 CO 0.02 -0.34 0.07 -0.80 -1.46 0.00 0.00 175.22 172.71 3pmg s ASN 131 N 0.84 5.48 0.00 6.13 -0.87 -0.26 -0.95 114.94 125.31 3pmg s ASN 131 Ca -0.03 -0.02 0.00 0.00 -1.57 0.00 0.00 52.86 51.25 3pmg s ASN 131 Cb -0.15 -1.46 0.00 0.00 -0.02 0.00 0.00 41.25 39.62 3pmg s ASN 131 CO 0.01 0.18 0.00 2.30 -2.57 0.00 0.00 177.10 177.02 3pmg n ILE 132 N 0.52 0.00 0.21 0.60 -5.35 0.71 -1.57 119.36 114.48 3pmg n ILE 132 Ca -0.09 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.51 3pmg n ILE 132 Cb 0.52 -0.78 0.65 0.00 -1.74 0.00 0.00 39.64 38.29 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 0.00 0.00 -0.29 7.28 4.64 -1.48 0.36 113.55 124.06 3pmg h SER 133 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3pmg h SER 133 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3pmg h SER 133 CO 0.00 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.50 3pmg n ASN 134 N -2.40 2.16 0.00 4.97 6.94 -1.26 -4.67 115.26 121.00 3pmg n ASN 134 Ca -0.02 -1.85 0.00 0.00 -0.02 0.00 0.00 54.58 52.69 3pmg n ASN 134 Cb 0.15 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.39 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 1.21 0.89 3.99 4.83 0.00 0.12 -4.61 105.19 111.61 3pmg n GLY 135 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.79 1.93 0.42 -0.02 0.00 -1.25 -4.39 107.32 102.21 3pmg s GLY 136 Ca 0.00 -1.82 -0.26 0.00 0.00 0.00 0.00 44.72 42.63 3pmg s GLY 136 CO 0.00 -1.60 1.46 -4.14 0.00 0.00 0.00 173.10 168.82 3pmg s PRO 137 N -4.41 3.87 0.24 2.90 0.02 -1.26 -0.21 135.00 136.15 3pmg s PRO 137 Ca 0.55 2.50 -0.30 0.00 0.02 0.00 0.00 61.00 63.76 3pmg s PRO 137 Cb -0.07 -2.79 -0.11 0.00 0.02 0.00 0.00 34.50 31.55 3pmg s PRO 137 CO 0.33 -0.70 1.54 0.00 -0.33 0.00 0.00 177.00 177.84 3pmg s ALA 138 N -1.16 3.72 0.87 -1.55 0.00 -0.13 -4.59 121.76 118.91 3pmg s ALA 138 Ca 0.57 1.43 -0.12 0.00 0.00 0.00 0.00 51.96 53.85 3pmg s ALA 138 Cb -0.45 -3.61 0.11 0.00 0.00 0.00 0.00 23.12 19.17 3pmg s ALA 138 CO 0.60 -0.84 1.12 -1.25 0.00 0.00 0.00 175.76 175.39 3pmg s PRO 139 N -0.01 1.52 0.30 0.00 0.04 -1.26 -4.68 135.00 130.90 3pmg s PRO 139 Ca 0.64 0.40 0.05 0.00 0.04 0.00 0.00 61.00 62.13 3pmg s PRO 139 Cb -0.45 -1.87 0.75 0.00 0.04 0.00 0.00 34.50 32.97 3pmg s PRO 139 CO 0.42 -1.96 1.72 1.49 0.04 0.00 0.00 177.00 178.71 3pmg h GLU 140 N -1.33 0.51 -0.96 4.56 4.22 -1.98 0.18 114.58 119.78 3pmg h GLU 140 Ca -0.49 -0.03 0.06 0.00 0.08 0.00 0.00 59.36 58.98 3pmg h GLU 140 Cb 1.31 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.38 3pmg h GLU 140 CO 0.61 0.34 0.62 0.00 -2.18 0.00 0.00 179.01 178.40 3pmg h ALA 141 N 1.69 1.45 0.18 2.92 0.00 -1.99 0.27 119.26 123.78 3pmg h ALA 141 Ca 0.58 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 55.14 3pmg h ALA 141 Cb 1.04 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.55 3pmg h ALA 141 CO -0.47 0.41 -1.56 0.82 0.00 0.00 0.00 179.25 178.45 3pmg h ILE 142 N 1.11 1.05 0.00 0.00 1.08 -1.09 -2.79 117.51 116.88 3pmg h ILE 142 Ca 0.41 -2.51 -0.03 0.00 -0.39 0.00 0.00 64.86 62.34 3pmg h ILE 142 Cb 0.18 2.83 -0.00 0.00 -3.07 0.00 0.00 36.82 36.75 3pmg h ILE 142 CO -0.16 0.80 -0.15 0.71 -0.69 0.00 0.00 178.15 178.66 3pmg h THR 143 N -0.03 0.48 0.06 -0.27 1.35 -0.59 -2.25 112.91 111.66 3pmg h THR 143 Ca -0.31 -0.76 -0.00 0.00 -0.55 0.00 0.00 66.41 64.79 3pmg h THR 143 Cb 1.99 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.93 3pmg h THR 143 CO 0.16 0.15 -0.03 0.44 -0.25 0.00 0.00 175.52 175.99 3pmg h ASP 144 N 0.00 -0.07 -0.68 5.36 3.32 -0.54 0.28 116.42 124.09 3pmg h ASP 144 Ca -0.00 -0.30 0.11 0.00 0.02 0.00 0.00 57.03 56.87 3pmg h ASP 144 Cb 0.51 0.02 -0.08 0.00 0.22 0.00 0.00 39.33 40.00 3pmg h ASP 144 CO 0.02 0.27 0.27 0.50 -1.72 0.00 0.00 179.24 178.57 3pmg h LYS 145 N -0.41 0.43 -0.85 3.56 3.64 -1.14 0.17 116.57 121.97 3pmg h LYS 145 Ca -0.01 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3pmg h LYS 145 Cb 0.36 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 3pmg h LYS 145 CO 0.01 0.29 0.44 0.82 -2.27 0.00 0.00 179.45 178.74 3pmg h ILE 146 N 0.45 1.25 -0.17 2.00 2.04 -1.20 -1.83 117.51 120.04 3pmg h ILE 146 Ca 0.36 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 3pmg h ILE 146 Cb 0.48 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3pmg h ILE 146 CO -0.34 0.30 0.06 0.15 0.00 0.00 0.00 178.15 178.32 3pmg h PHE 147 N 1.20 0.26 0.21 1.37 3.57 0.13 -0.59 116.94 123.09 3pmg h PHE 147 Ca 0.30 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.79 3pmg h PHE 147 Cb 0.07 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 3pmg h PHE 147 CO 0.01 0.33 -0.31 1.96 -2.23 0.00 0.00 178.31 178.07 3pmg h GLN 148 N 0.11 -0.57 -0.72 1.11 1.08 -0.28 -1.76 115.11 114.08 3pmg h GLN 148 Ca 0.06 0.04 0.07 0.00 -1.45 0.00 0.00 58.65 57.36 3pmg h GLN 148 Cb 0.18 0.13 -0.06 0.00 -0.05 0.00 0.00 27.48 27.68 3pmg h GLN 148 CO -0.00 -0.38 0.40 0.82 -0.95 0.00 0.00 178.83 178.72 3pmg h ILE 149 N -0.59 0.95 0.00 2.54 2.04 -1.34 0.92 117.51 122.03 3pmg h ILE 149 Ca 0.01 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 3pmg h ILE 149 Cb 0.58 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3pmg h ILE 149 CO -0.12 0.13 -0.23 0.77 0.00 0.00 0.00 178.15 178.70 3pmg h SER 150 N 0.72 0.00 1.16 1.72 4.64 -0.66 -0.38 113.55 120.75 3pmg h SER 150 Ca 0.33 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.64 3pmg h SER 150 Cb 0.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3pmg h SER 150 CO -0.20 0.23 -0.85 0.07 -0.87 0.00 0.00 176.83 175.21 3pmg h LYS 151 N 0.00 0.00 -0.41 4.77 2.10 0.03 -3.28 116.57 119.79 3pmg h LYS 151 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3pmg h LYS 151 Cb 0.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 3pmg h LYS 151 CO 0.03 0.03 0.00 0.25 -2.00 0.00 0.00 179.45 177.76 3pmg n THR 152 N -2.78 0.96 -2.11 0.07 -2.24 -0.73 -4.64 114.28 102.81 3pmg n THR 152 Ca 0.00 -0.98 -0.42 0.00 -2.27 0.00 0.00 64.05 60.38 3pmg n THR 152 Cb 0.57 0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 3pmg n THR 152 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3pmg s ILE 153 N -1.01 3.28 -0.07 2.28 2.07 -0.17 -4.93 121.20 122.66 3pmg s ILE 153 Ca 0.28 0.84 0.13 0.00 -1.41 0.00 0.00 60.65 60.49 3pmg s ILE 153 Cb 0.15 -3.54 -0.19 0.00 0.13 0.00 0.00 42.46 39.01 3pmg s ILE 153 CO 0.19 0.04 0.18 -0.62 -1.91 0.00 0.00 174.94 172.82 3pmg n GLU 154 N 4.58 1.10 -3.76 3.50 1.02 -1.26 -3.28 120.64 122.54 3pmg n GLU 154 Ca 0.13 -0.07 -0.13 0.00 -0.02 0.00 0.00 57.16 57.07 3pmg n GLU 154 Cb 0.42 -1.33 -0.09 0.00 -0.02 0.00 0.00 31.44 30.42 3pmg n GLU 154 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3pmg s GLU 155 N -2.66 0.67 0.03 3.49 2.02 -1.26 -0.61 118.70 120.36 3pmg s GLU 155 Ca -0.06 -0.21 0.02 0.00 0.02 0.00 0.00 54.97 54.75 3pmg s GLU 155 Cb 0.07 0.30 -0.02 0.00 0.10 0.00 0.00 34.13 34.57 3pmg s GLU 155 CO 0.56 -0.18 -0.08 1.52 0.02 0.00 0.00 175.26 177.10 3pmg s TYR 156 N -1.36 0.65 -0.12 1.61 -0.85 -0.36 -4.94 117.35 111.98 3pmg s TYR 156 Ca -0.13 -0.36 -0.04 0.00 -0.52 0.00 0.00 57.07 56.02 3pmg s TYR 156 Cb -0.05 -0.40 -0.04 0.00 0.38 0.00 0.00 41.96 41.86 3pmg s TYR 156 CO 0.04 -0.05 0.03 0.00 -1.52 0.00 0.00 175.55 174.05 3pmg s ALA 157 N -0.95 3.39 -0.03 9.51 0.00 -1.26 -0.21 121.76 132.20 3pmg s ALA 157 Ca -0.05 -0.77 -0.05 0.00 0.00 0.00 0.00 51.96 51.09 3pmg s ALA 157 Cb -0.07 -1.65 0.01 0.00 0.00 0.00 0.00 23.12 21.40 3pmg s ALA 157 CO 0.00 0.49 0.12 -1.50 0.00 0.00 0.00 175.76 174.87 3pmg s ILE 158 N -0.57 0.02 -0.75 0.00 2.07 -0.54 -4.43 121.20 117.01 3pmg s ILE 158 Ca 0.10 -0.19 -0.16 0.00 -1.41 0.00 0.00 60.65 58.99 3pmg s ILE 158 Cb -0.12 -0.24 0.16 0.00 0.13 0.00 0.00 42.46 42.39 3pmg s ILE 158 CO 0.02 -0.10 0.78 0.00 -1.91 0.00 0.00 174.94 173.73 3pmg h PRO 160 N 8.47 0.00 -0.01 0.00 0.13 -1.89 -2.90 132.00 135.80 3pmg h PRO 160 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 3pmg h PRO 160 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3pmg h PRO 160 CO 0.94 0.00 -0.42 -0.25 -0.23 0.00 0.00 178.00 178.04 3pmg n ASP 161 N -2.70 1.25 -4.69 1.44 8.00 -1.26 -4.92 116.55 113.68 3pmg n ASP 161 Ca -0.02 -1.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.05 3pmg n ASP 161 Cb 0.07 0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 3pmg n ASP 161 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3pmg s LEU 162 N -2.60 4.26 -0.01 0.64 0.20 -1.10 -5.04 118.68 115.03 3pmg s LEU 162 Ca 0.20 1.57 0.03 0.00 0.69 0.00 0.00 54.13 56.62 3pmg s LEU 162 Cb 0.18 -3.56 -0.00 0.00 -0.43 0.00 0.00 46.19 42.38 3pmg s LEU 162 CO 0.59 -0.45 -0.09 -0.54 -0.29 0.00 0.00 176.35 175.57 3pmg s LYS 163 N 1.94 0.77 -0.03 1.98 1.02 -1.26 -4.82 119.74 119.34 3pmg s LYS 163 Ca 0.49 -0.31 0.08 0.00 0.02 0.00 0.00 55.97 56.25 3pmg s LYS 163 Cb -0.19 -0.74 -0.02 0.00 -0.52 0.00 0.00 37.83 36.36 3pmg s LYS 163 CO 0.19 0.18 -0.26 0.08 -0.92 0.00 0.00 175.35 174.62 3pmg s VAL 164 N -0.13 2.05 -0.30 3.17 1.01 -1.26 -5.08 120.40 119.86 3pmg s VAL 164 Ca 0.02 -1.10 -0.24 0.00 0.00 0.00 0.00 61.98 60.66 3pmg s VAL 164 Cb -0.04 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.63 3pmg s VAL 164 CO -0.00 0.58 0.80 -0.62 0.00 0.00 0.00 175.10 175.86 3pmg s ASP 165 N -0.52 6.68 0.29 3.32 -1.08 -1.26 -4.87 116.67 119.22 3pmg s ASP 165 Ca 0.07 0.70 0.25 0.00 -0.52 0.00 0.00 52.55 53.05 3pmg s ASP 165 Cb -0.11 -2.41 0.63 0.00 -1.46 0.00 0.00 42.92 39.57 3pmg s ASP 165 CO -0.00 -0.62 1.70 -0.07 0.52 0.00 0.00 175.17 176.70 3pmg h LEU 166 N 9.46 0.00 -0.01 -1.34 4.07 -1.96 -3.31 115.31 122.22 3pmg h LEU 166 Ca -0.24 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.71 3pmg h LEU 166 Cb 1.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.83 3pmg h LEU 166 CO 0.89 0.00 -0.03 0.61 -1.08 0.00 0.00 178.44 178.83 3pmg n GLY 167 N 1.24 -1.42 3.48 0.83 0.00 -1.26 -0.54 105.19 107.52 3pmg n GLY 167 Ca 0.05 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.88 5.06 0.39 1.61 1.01 -1.25 -4.82 120.40 119.52 3pmg s VAL 168 Ca 0.18 -0.33 -0.27 0.00 0.00 0.00 0.00 61.98 61.56 3pmg s VAL 168 Cb 0.19 -4.06 -0.10 0.00 0.00 0.00 0.00 36.38 32.41 3pmg s VAL 168 CO 0.52 -0.45 1.42 -0.76 0.00 0.00 0.00 175.10 175.83 3pmg s LEU 169 N 2.20 4.28 0.00 3.92 1.02 -1.26 -4.58 118.68 124.26 3pmg s LEU 169 Ca 0.13 2.91 0.00 0.00 0.02 0.00 0.00 54.13 57.19 3pmg s LEU 169 Cb -0.17 -3.75 0.00 0.00 0.02 0.00 0.00 46.19 42.29 3pmg s LEU 169 CO 0.14 -0.87 0.00 0.61 0.02 0.00 0.00 176.35 176.25 3pmg n GLY 170 N 0.57 0.71 3.73 -3.19 0.00 -1.12 -4.92 105.19 100.98 3pmg n GLY 170 Ca 0.02 -2.31 -0.40 0.00 0.00 0.00 0.00 46.02 43.34 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 -0.75 4.44 -0.06 1.61 2.20 -1.26 -0.85 119.74 125.06 3pmg s LYS 171 Ca 0.00 0.93 0.05 0.00 -0.36 0.00 0.00 55.97 56.58 3pmg s LYS 171 Cb 0.00 -3.40 -0.00 0.00 -1.51 0.00 0.00 37.83 32.91 3pmg s LYS 171 CO 0.00 0.18 -0.21 -0.65 -0.36 0.00 0.00 175.35 174.31 3pmg s GLN 172 N 0.37 2.32 0.00 4.03 -0.21 -0.50 -5.01 119.66 120.66 3pmg s GLN 172 Ca 0.37 -0.76 0.07 0.00 0.02 0.00 0.00 55.36 55.06 3pmg s GLN 172 Cb -0.19 -1.92 -0.02 0.00 1.00 0.00 0.00 33.01 31.88 3pmg s GLN 172 CO 0.20 0.26 -0.21 -0.65 -2.12 0.00 0.00 175.29 172.76 3pmg s GLN 173 N 0.09 1.62 0.01 2.91 -0.21 -1.26 -1.63 119.66 121.19 3pmg s GLN 173 Ca -0.08 -0.82 0.02 0.00 0.02 0.00 0.00 55.36 54.51 3pmg s GLN 173 Cb -0.14 -1.62 -0.01 0.00 1.00 0.00 0.00 33.01 32.23 3pmg s GLN 173 CO 0.04 0.44 -0.08 -0.06 -2.12 0.00 0.00 175.29 173.51 3pmg s PHE 174 N -0.59 0.70 -0.07 0.91 0.40 -0.50 -4.97 117.98 113.87 3pmg s PHE 174 Ca 0.08 -0.24 -0.09 0.00 -0.60 0.00 0.00 56.93 56.08 3pmg s PHE 174 Cb -0.08 -0.44 -0.05 0.00 0.51 0.00 0.00 43.02 42.96 3pmg s PHE 174 CO 0.00 -0.02 0.24 -0.51 0.70 0.00 0.00 175.22 175.63 3pmg s ASP 175 N -0.63 6.54 -0.15 1.36 1.01 -1.26 -0.49 116.67 123.03 3pmg s ASP 175 Ca -0.01 0.64 -0.02 0.00 0.71 0.00 0.00 52.55 53.87 3pmg s ASP 175 Cb -0.05 -2.13 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 3pmg s ASP 175 CO 0.00 0.37 -0.08 -0.76 0.21 0.00 0.00 175.17 174.91 3pmg s LEU 176 N -1.13 2.98 -0.33 1.23 1.43 -1.26 0.15 118.68 121.75 3pmg s LEU 176 Ca 0.19 -0.25 -0.34 0.00 -1.03 0.00 0.00 54.13 52.70 3pmg s LEU 176 Cb -0.14 -1.70 -0.15 0.00 0.03 0.00 0.00 46.19 44.23 3pmg s LEU 176 CO 0.08 0.14 1.14 1.21 0.23 0.00 0.00 176.35 179.15 3pmg n GLU 177 N 3.69 0.00 0.00 1.70 2.13 0.15 -1.08 120.64 127.22 3pmg n GLU 177 Ca -0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.64 3pmg n GLU 177 Cb 0.52 -1.10 0.00 0.00 0.27 0.00 0.00 31.44 31.13 3pmg n GLU 177 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3pmg n ASN 178 N 2.75 0.00 -4.78 4.31 3.02 -1.26 -4.90 115.26 114.40 3pmg n ASN 178 Ca 0.22 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.43 3pmg n ASN 178 Cb -0.03 -1.09 0.01 0.00 -0.61 0.00 0.00 39.78 38.06 3pmg n ASN 178 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3pmg s LYS 179 N 0.00 3.22 0.01 3.52 -0.14 -0.24 -4.99 119.74 121.11 3pmg s LYS 179 Ca 0.00 1.52 0.19 0.00 -1.36 0.00 0.00 55.97 56.32 3pmg s LYS 179 Cb 0.00 -2.00 -0.19 0.00 -1.68 0.00 0.00 37.83 33.97 3pmg s LYS 179 CO 0.00 -0.94 0.63 0.34 -0.76 0.00 0.00 175.35 174.62 3pmg n PHE 180 N -1.63 0.55 -4.58 3.18 -0.00 -1.26 -4.79 117.46 108.93 3pmg n PHE 180 Ca 0.11 0.18 -0.32 0.00 -0.00 0.00 0.00 57.45 57.42 3pmg n PHE 180 Cb 0.51 -0.91 -0.11 0.00 -0.00 0.00 0.00 39.48 38.97 3pmg n PHE 180 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3pmg s LYS 181 N -3.06 2.39 0.66 -4.13 1.02 -1.26 -5.12 119.74 110.24 3pmg s LYS 181 Ca -0.05 -0.80 -0.09 0.00 0.02 0.00 0.00 55.97 55.04 3pmg s LYS 181 Cb 0.10 -2.38 0.01 0.00 -0.52 0.00 0.00 37.83 35.04 3pmg s LYS 181 CO 0.84 0.58 1.02 -1.25 -0.92 0.00 0.00 175.35 175.63 3pmg s PRO 182 N -1.33 2.89 -0.05 -1.68 0.04 -1.26 -4.63 135.00 128.97 3pmg s PRO 182 Ca 0.16 0.30 -0.16 0.00 0.04 0.00 0.00 61.00 61.33 3pmg s PRO 182 Cb -0.11 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 3pmg s PRO 182 CO 0.06 -0.91 0.44 0.12 0.04 0.00 0.00 177.00 176.75 3pmg s PHE 183 N -3.22 3.64 -0.05 0.56 5.36 0.35 -4.89 117.98 119.73 3pmg s PHE 183 Ca 0.56 0.95 0.06 0.00 -0.96 0.00 0.00 56.93 57.54 3pmg s PHE 183 Cb -0.11 -2.41 -0.02 0.00 -0.34 0.00 0.00 43.02 40.14 3pmg s PHE 183 CO 0.49 0.43 -0.21 0.99 -1.46 0.00 0.00 175.22 175.46 3pmg s THR 184 N -0.32 2.43 -0.21 0.12 2.01 0.32 -1.41 115.64 118.59 3pmg s THR 184 Ca 0.25 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.31 3pmg s THR 184 Cb -0.16 -1.91 0.04 0.00 0.01 0.00 0.00 72.50 70.48 3pmg s THR 184 CO 0.12 0.58 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.80 3pmg s VAL 185 N -0.44 1.91 -0.39 3.82 1.01 -0.65 -1.42 120.40 124.23 3pmg s VAL 185 Ca 0.05 -1.13 -0.13 0.00 0.00 0.00 0.00 61.98 60.76 3pmg s VAL 185 Cb -0.12 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.39 3pmg s VAL 185 CO 0.01 0.25 0.25 -1.61 0.00 0.00 0.00 175.10 174.00 3pmg s GLU 186 N 1.29 2.93 0.31 2.72 2.02 -0.40 -1.41 118.70 126.16 3pmg s GLU 186 Ca -0.01 -1.03 -0.27 0.00 0.02 0.00 0.00 54.97 53.68 3pmg s GLU 186 Cb -0.16 -3.85 -0.10 0.00 0.10 0.00 0.00 34.13 30.12 3pmg s GLU 186 CO -0.09 -0.71 0.95 0.42 0.02 0.00 0.00 175.26 175.85 3pmg s ILE 187 N 1.62 4.18 0.05 -1.63 -1.09 -0.03 -1.76 121.20 122.54 3pmg s ILE 187 Ca 0.04 1.87 0.05 0.00 -2.23 0.00 0.00 60.65 60.37 3pmg s ILE 187 Cb -0.19 -4.06 -0.02 0.00 -1.58 0.00 0.00 42.46 36.60 3pmg s ILE 187 CO 0.08 0.20 -0.13 0.54 -1.23 0.00 0.00 174.94 174.41 3pmg s VAL 188 N -1.54 1.03 0.28 2.92 0.11 -0.83 -2.77 120.40 119.59 3pmg s VAL 188 Ca 0.49 -1.06 -0.30 0.00 -2.93 0.00 0.00 61.98 58.18 3pmg s VAL 188 Cb -0.20 -0.96 -0.12 0.00 -1.53 0.00 0.00 36.38 33.57 3pmg s VAL 188 CO 0.25 -0.09 1.46 -0.67 -3.33 0.00 0.00 175.10 172.72 3pmg n ASP 189 N 1.73 3.21 -0.22 3.54 2.03 -1.26 -0.33 116.55 125.24 3pmg n ASP 189 Ca -0.19 1.16 0.01 0.00 0.52 0.00 0.00 54.79 56.29 3pmg n ASP 189 Cb 0.55 -1.51 0.25 0.00 -0.72 0.00 0.00 41.12 39.69 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 4.07 0.86 0.50 1.67 0.02 -1.86 -3.31 113.55 115.50 3pmg h SER 190 Ca -0.46 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.38 3pmg h SER 190 Cb 1.26 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 3pmg h SER 190 CO 0.74 0.61 -1.57 0.52 -1.14 0.00 0.00 176.83 175.99 3pmg n VAL 191 N -4.43 0.68 0.17 2.27 0.31 -1.26 -4.76 118.33 111.31 3pmg n VAL 191 Ca 0.09 -0.61 -0.14 0.00 -0.01 0.00 0.00 64.34 63.67 3pmg n VAL 191 Cb 0.06 -0.36 -0.08 0.00 -0.91 0.00 0.00 33.84 32.55 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 -0.37 -0.94 5.55 4.22 -1.96 -0.52 114.58 120.56 3pmg h GLU 192 Ca -0.11 0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.35 3pmg h GLU 192 Cb 1.30 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.59 3pmg h GLU 192 CO 0.02 -0.17 0.56 0.00 -2.18 0.00 0.00 179.01 177.24 3pmg h ALA 193 N 0.18 1.20 -0.33 2.92 0.00 -1.86 -1.48 119.26 119.90 3pmg h ALA 193 Ca -0.04 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3pmg h ALA 193 Cb 0.37 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3pmg h ALA 193 CO 0.06 0.66 -0.03 -0.92 0.00 0.00 0.00 179.25 179.02 3pmg h TYR 194 N 1.29 0.65 -0.30 0.00 3.20 -1.83 -1.76 116.97 118.23 3pmg h TYR 194 Ca 0.34 -0.12 -0.11 0.00 3.14 0.00 0.00 58.73 61.97 3pmg h TYR 194 Cb -0.05 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 3pmg h TYR 194 CO 0.01 0.73 -0.29 0.00 -1.64 0.00 0.00 178.16 176.97 3pmg h ALA 195 N 0.83 0.93 -0.66 1.82 0.00 -0.87 -1.43 119.26 119.89 3pmg h ALA 195 Ca 0.09 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 3pmg h ALA 195 Cb 0.49 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3pmg h ALA 195 CO 0.02 0.61 0.15 1.15 0.00 0.00 0.00 179.25 181.19 3pmg h THR 196 N 0.54 1.25 0.08 0.00 2.02 -1.21 0.12 112.91 115.71 3pmg h THR 196 Ca 0.07 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.30 3pmg h THR 196 Cb 0.77 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 3pmg h THR 196 CO 0.06 0.36 -0.06 -0.03 0.37 0.00 0.00 175.52 176.22 3pmg h MET 197 N 1.00 -0.14 -0.18 6.66 -1.53 -1.14 -2.66 114.93 116.93 3pmg h MET 197 Ca 0.21 0.01 -0.02 0.00 -3.44 0.00 0.00 59.70 56.46 3pmg h MET 197 Cb 0.36 0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.43 3pmg h MET 197 CO 0.00 -0.10 0.02 -0.07 0.14 0.00 0.00 176.91 176.90 3pmg h LEU 198 N -0.15 0.23 -1.65 3.39 3.38 -0.80 -1.25 115.31 118.47 3pmg h LEU 198 Ca -0.00 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3pmg h LEU 198 Cb 0.13 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3pmg h LEU 198 CO -0.00 0.27 -0.20 -0.09 0.09 0.00 0.00 178.44 178.50 3pmg h ARG 199 N 0.26 0.00 0.00 1.13 2.43 -0.58 -0.74 114.38 116.88 3pmg h ARG 199 Ca 0.06 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.07 3pmg h ARG 199 Cb 0.15 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 3pmg h ARG 199 CO 0.00 0.20 -1.18 -0.91 -1.51 0.00 0.00 179.97 176.57 3pmg h ASN 200 N 0.00 0.00 0.04 -3.80 2.35 -0.91 -3.40 115.58 109.87 3pmg h ASN 200 Ca -0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 3pmg h ASN 200 Cb 0.44 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.82 3pmg h ASN 200 CO 0.03 0.59 -0.28 0.40 -1.65 0.00 0.00 177.43 176.52 3pmg h ILE 201 N 0.00 1.68 -0.99 2.81 2.04 -0.53 -3.42 117.51 119.09 3pmg h ILE 201 Ca -0.12 -2.35 -0.48 0.00 1.00 0.00 0.00 64.86 62.91 3pmg h ILE 201 Cb 1.56 3.25 0.02 0.00 -0.74 0.00 0.00 36.82 40.91 3pmg h ILE 201 CO 0.06 0.63 -0.17 -0.36 0.00 0.00 0.00 178.15 178.30 3pmg s PHE 202 N -2.41 1.88 -0.63 1.37 0.08 -0.39 -1.78 117.98 116.11 3pmg s PHE 202 Ca -0.17 -0.63 -0.12 0.00 0.12 0.00 0.00 56.93 56.13 3pmg s PHE 202 Cb -0.01 -2.23 0.16 0.00 -0.57 0.00 0.00 43.02 40.37 3pmg s PHE 202 CO 0.74 -0.84 0.54 0.34 -0.10 0.00 0.00 175.22 175.90 3pmg s ASP 203 N -4.52 6.12 0.38 1.36 2.15 -1.26 -4.78 116.67 116.13 3pmg s ASP 203 Ca 0.57 -2.26 0.28 0.00 0.43 0.00 0.00 52.55 51.57 3pmg s ASP 203 Cb -0.06 -2.11 1.29 0.00 -0.30 0.00 0.00 42.92 41.73 3pmg s ASP 203 CO 0.35 -0.66 1.84 -0.26 -0.17 0.00 0.00 175.17 176.27 3pmg h PHE 204 N 8.17 0.00 -0.00 -5.34 -1.00 -1.91 -1.44 116.94 115.42 3pmg h PHE 204 Ca -0.11 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.49 3pmg h PHE 204 Cb 1.05 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.63 3pmg h PHE 204 CO 0.80 0.00 -0.72 -0.91 -1.61 0.00 0.00 178.31 175.87 3pmg h ASN 205 N 0.00 0.64 -0.68 2.17 2.35 -1.98 -0.02 115.58 118.06 3pmg h ASN 205 Ca 0.00 -0.75 -0.07 0.00 -0.55 0.00 0.00 56.30 54.93 3pmg h ASN 205 Cb 0.26 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 3pmg h ASN 205 CO 0.00 1.31 0.16 0.00 -1.65 0.00 0.00 177.43 177.25 3pmg h ALA 206 N 0.34 0.90 -0.09 -0.83 0.00 -1.74 -2.32 119.26 115.52 3pmg h ALA 206 Ca -0.09 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 3pmg h ALA 206 Cb 1.42 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3pmg h ALA 206 CO 0.14 0.63 -0.24 -0.07 0.00 0.00 0.00 179.25 179.71 3pmg h LEU 207 N 1.03 0.16 -0.81 0.00 3.38 -1.19 0.38 115.31 118.25 3pmg h LEU 207 Ca 0.21 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 3pmg h LEU 207 Cb 0.38 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3pmg h LEU 207 CO 0.00 0.40 -0.11 0.11 0.09 0.00 0.00 178.44 178.93 3pmg h LYS 208 N 0.15 0.77 0.51 1.13 1.57 -0.53 -0.26 116.57 119.90 3pmg h LYS 208 Ca 0.02 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 3pmg h LYS 208 Cb 0.51 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3pmg h LYS 208 CO 0.04 0.85 -0.24 1.49 -0.57 0.00 0.00 179.45 181.02 3pmg h GLU 209 N 0.70 -0.66 -0.98 3.15 4.57 -1.11 -0.59 114.58 119.66 3pmg h GLU 209 Ca 0.12 0.04 0.14 0.00 -1.18 0.00 0.00 59.36 58.49 3pmg h GLU 209 Cb 0.59 0.15 -0.09 0.00 -0.16 0.00 0.00 28.75 29.24 3pmg h GLU 209 CO 0.04 -0.36 0.60 1.25 -1.18 0.00 0.00 179.01 179.36 3pmg h LEU 210 N -0.90 0.84 0.00 1.64 7.12 -0.49 -3.04 115.31 120.47 3pmg h LEU 210 Ca -0.07 0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.01 3pmg h LEU 210 Cb 0.60 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 3pmg h LEU 210 CO 0.11 0.40 -1.91 0.18 -0.13 0.00 0.00 178.44 177.09 3pmg n LEU 211 N -4.69 0.05 -0.01 2.25 4.77 -0.15 -1.18 117.00 118.04 3pmg n LEU 211 Ca 0.20 -0.03 0.03 0.00 -0.03 0.00 0.00 56.01 56.18 3pmg n LEU 211 Cb 0.43 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 3pmg n LEU 211 CO 0.25 0.01 0.00 -1.54 -1.33 0.00 0.00 177.39 174.78 3pmg n SER 212 N -2.19 0.33 -3.07 -1.43 3.41 -0.23 -4.31 113.62 106.13 3pmg n SER 212 Ca -0.03 -0.67 -0.09 0.00 -0.26 0.00 0.00 58.87 57.81 3pmg n SER 212 Cb 0.53 0.96 0.09 0.00 -0.26 0.00 0.00 64.21 65.53 3pmg n SER 212 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3pmg n GLY 213 N 1.10 -3.69 0.10 5.00 0.00 -1.15 -4.87 105.19 101.68 3pmg n GLY 213 Ca 0.01 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 3pmg n GLY 213 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3pmg h PRO 214 N 0.00 0.20 -1.72 1.61 0.13 -1.97 -3.24 132.00 127.00 3pmg h PRO 214 Ca -0.12 -0.06 -0.73 0.00 -0.87 0.00 0.00 66.00 64.22 3pmg h PRO 214 Cb 0.41 -0.02 -0.29 0.00 0.13 0.00 0.00 31.00 31.23 3pmg h PRO 214 CO 0.07 0.42 0.80 0.27 -0.23 0.00 0.00 178.00 179.33 3pmg n ASN 215 N -4.82 7.21 -4.78 1.44 0.23 -1.26 -5.02 115.26 108.27 3pmg n ASN 215 Ca -0.06 -3.82 -0.30 0.00 -0.53 0.00 0.00 54.58 49.87 3pmg n ASN 215 Cb 0.19 -0.97 0.10 0.00 -2.08 0.00 0.00 39.78 37.01 3pmg n ASN 215 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3pmg s ARG 216 N -3.96 2.03 0.00 -3.83 1.70 -1.23 -5.02 118.95 108.64 3pmg s ARG 216 Ca 0.54 0.82 -0.25 0.00 -0.47 0.00 0.00 55.73 56.37 3pmg s ARG 216 Cb 0.45 -1.90 -0.05 0.00 -0.57 0.00 0.00 34.95 32.88 3pmg s ARG 216 CO -0.30 -1.71 0.75 -1.17 -1.08 0.00 0.00 175.30 171.79 3pmg s LEU 217 N -5.88 4.40 -0.25 -1.89 2.96 -0.32 -5.02 118.68 112.68 3pmg s LEU 217 Ca 0.61 1.37 -0.15 0.00 -0.22 0.00 0.00 54.13 55.74 3pmg s LEU 217 Cb -0.16 -3.20 -0.04 0.00 0.50 0.00 0.00 46.19 43.30 3pmg s LEU 217 CO 0.55 -0.04 0.38 -0.54 -1.32 0.00 0.00 176.35 175.39 3pmg s LYS 218 N 0.28 4.07 0.20 1.98 1.02 -1.26 -4.77 119.74 121.26 3pmg s LYS 218 Ca 0.39 0.10 0.10 0.00 0.02 0.00 0.00 55.97 56.58 3pmg s LYS 218 Cb -0.20 -3.62 -0.04 0.00 -0.52 0.00 0.00 37.83 33.45 3pmg s LYS 218 CO 0.22 -0.20 -0.17 0.96 -0.92 0.00 0.00 175.35 175.23 3pmg s ILE 219 N 1.84 2.73 -0.13 2.17 -4.36 -1.26 -0.47 121.20 121.72 3pmg s ILE 219 Ca 0.16 -1.93 -0.03 0.00 -0.26 0.00 0.00 60.65 58.60 3pmg s ILE 219 Cb -0.15 -2.35 0.05 0.00 1.25 0.00 0.00 42.46 41.25 3pmg s ILE 219 CO 0.09 -0.16 0.05 -0.60 0.24 0.00 0.00 174.94 174.56 3pmg s ARG 220 N -2.87 0.31 -0.26 0.37 6.06 -0.65 -4.46 118.95 117.46 3pmg s ARG 220 Ca 0.24 -0.03 -0.01 0.00 -2.50 0.00 0.00 55.73 53.43 3pmg s ARG 220 Cb -0.08 -1.43 0.03 0.00 0.06 0.00 0.00 34.95 33.53 3pmg s ARG 220 CO 0.13 -0.51 -0.06 0.42 -2.50 0.00 0.00 175.30 172.78 3pmg s ILE 221 N 2.04 2.83 -0.37 4.11 -1.09 0.21 -2.04 121.20 126.89 3pmg s ILE 221 Ca 0.03 -1.13 -0.15 0.00 -2.23 0.00 0.00 60.65 57.16 3pmg s ILE 221 Cb -0.15 -2.48 -0.00 0.00 -1.58 0.00 0.00 42.46 38.25 3pmg s ILE 221 CO -0.07 0.13 0.36 -0.62 -1.23 0.00 0.00 174.94 173.52 3pmg s ASP 222 N 1.30 6.16 0.00 3.58 -1.08 0.12 -0.42 116.67 126.33 3pmg s ASP 222 Ca -0.01 -0.43 0.20 0.00 -0.52 0.00 0.00 52.55 51.78 3pmg s ASP 222 Cb -0.17 -2.19 0.54 0.00 -1.46 0.00 0.00 42.92 39.63 3pmg s ASP 222 CO -0.04 -0.40 1.44 0.00 0.52 0.00 0.00 175.17 176.69 3pmg n ALA 223 N 5.38 2.45 -3.02 3.66 0.00 0.11 -2.56 120.51 126.53 3pmg n ALA 223 Ca -0.09 -0.84 -0.21 0.00 0.00 0.00 0.00 53.44 52.30 3pmg n ALA 223 Cb 0.49 -0.97 0.01 0.00 0.00 0.00 0.00 19.45 18.98 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 0.99 -3.73 -1.74 0.00 0.00 -1.23 -0.99 117.12 110.42 3pmg n MET 224 Ca 0.18 0.71 -0.21 0.00 0.00 0.00 0.00 57.70 58.38 3pmg n MET 224 Cb 0.46 -5.47 -0.08 0.00 0.00 0.00 0.00 33.22 28.14 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 -4.11 -0.17 -2.78 2.03 8.25 -0.05 -4.67 115.22 113.73 3pmg n HIS 225 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3pmg n HIS 225 Cb 0.60 -3.55 0.00 0.00 1.12 0.00 0.00 29.99 28.15 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 -0.52 2.46 0.28 -1.41 0.00 -0.16 -1.65 105.19 104.19 3pmg n GLY 226 Ca -0.21 -2.10 0.13 0.00 0.00 0.00 0.00 46.02 43.83 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 0.09 0.65 0.00 1.61 3.04 -1.36 -2.84 116.25 117.44 3pmg h VAL 227 Ca 0.00 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.55 3pmg h VAL 227 Cb 0.00 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.37 3pmg h VAL 227 CO 0.00 0.03 0.00 0.52 -1.01 0.00 0.00 177.57 177.11 3pmg n VAL 228 N -3.95 0.45 -0.09 1.51 0.31 -1.26 -3.94 118.33 111.36 3pmg n VAL 228 Ca -0.03 0.11 -0.07 0.00 -0.01 0.00 0.00 64.34 64.34 3pmg n VAL 228 Cb 0.12 -0.73 -0.00 0.00 -0.91 0.00 0.00 33.84 32.32 3pmg n VAL 228 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3pmg h GLY 229 N 3.88 -0.06 1.82 2.92 0.00 -1.71 -1.50 103.07 108.42 3pmg h GLY 229 Ca 0.00 0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.59 3pmg h GLY 229 CO 0.00 -0.20 -0.09 -0.56 0.00 0.00 0.00 176.54 175.68 3pmg h PRO 230 N -0.19 0.22 -0.30 4.80 0.13 -1.68 -2.38 132.00 132.60 3pmg h PRO 230 Ca 0.17 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 65.14 3pmg h PRO 230 Cb 0.47 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 3pmg h PRO 230 CO -0.46 0.33 -0.31 1.88 -0.23 0.00 0.00 178.00 179.21 3pmg h TYR 231 N 0.22 0.72 0.03 1.56 -1.99 -1.53 -2.20 116.97 113.77 3pmg h TYR 231 Ca 0.05 -0.18 -0.00 0.00 2.00 0.00 0.00 58.73 60.59 3pmg h TYR 231 Cb 0.31 -0.17 0.00 0.00 2.00 0.00 0.00 36.73 38.87 3pmg h TYR 231 CO 0.00 0.86 -0.01 0.28 -0.00 0.00 0.00 178.16 179.29 3pmg h VAL 232 N 0.54 1.24 0.36 -2.88 2.07 -0.94 -1.54 116.25 115.11 3pmg h VAL 232 Ca 0.06 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 3pmg h VAL 232 Cb 0.80 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 3pmg h VAL 232 CO 0.07 0.22 -0.27 0.11 0.02 0.00 0.00 177.57 177.72 3pmg h LYS 233 N -0.43 -0.60 -0.57 1.57 1.57 -1.40 -1.28 116.57 115.44 3pmg h LYS 233 Ca -0.00 0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 3pmg h LYS 233 Cb 0.40 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 3pmg h LYS 233 CO 0.01 -0.40 -0.05 0.87 -0.57 0.00 0.00 179.45 179.31 3pmg h LYS 234 N -0.62 1.03 0.00 3.15 1.57 -1.50 0.47 116.57 120.67 3pmg h LYS 234 Ca -0.03 -0.36 -0.06 0.00 -1.87 0.00 0.00 60.65 58.33 3pmg h LYS 234 Cb 0.53 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 3pmg h LYS 234 CO 0.01 1.05 -0.43 0.82 -0.57 0.00 0.00 179.45 180.32 3pmg h ILE 235 N 0.92 0.81 -0.13 1.86 2.04 -1.35 -0.52 117.51 121.14 3pmg h ILE 235 Ca 0.15 -1.74 -0.13 0.00 1.00 0.00 0.00 64.86 64.14 3pmg h ILE 235 Cb 0.61 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 3pmg h ILE 235 CO 0.04 0.28 -0.43 -0.07 0.00 0.00 0.00 178.15 177.96 3pmg h LEU 236 N -1.00 0.61 0.00 1.44 3.38 -1.37 -0.89 115.31 117.47 3pmg h LEU 236 Ca -0.09 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.27 3pmg h LEU 236 Cb 0.76 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3pmg h LEU 236 CO -0.06 1.11 -0.30 0.00 0.09 0.00 0.00 178.44 179.29 3pmg h GLU 238 N -0.64 -1.10 0.04 0.00 5.08 -1.04 0.11 114.58 117.03 3pmg h GLU 238 Ca 0.00 0.07 -0.21 0.00 -1.00 0.00 0.00 59.36 58.22 3pmg h GLU 238 Cb 0.30 0.25 0.02 0.00 0.50 0.00 0.00 28.75 29.81 3pmg h GLU 238 CO 0.00 -0.73 -0.85 1.49 -1.00 0.00 0.00 179.01 177.93 3pmg h GLU 239 N -1.20 0.50 0.00 2.33 4.81 -1.03 -3.34 114.58 116.66 3pmg h GLU 239 Ca -0.12 -0.60 0.00 0.00 -0.13 0.00 0.00 59.36 58.52 3pmg h GLU 239 Cb 0.88 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.44 3pmg h GLU 239 CO 0.19 1.22 -0.56 -0.07 -0.73 0.00 0.00 179.01 179.06 3pmg h LEU 240 N 0.05 0.00 0.00 1.64 3.38 -1.23 -3.49 115.31 115.66 3pmg h LEU 240 Ca -0.12 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3pmg h LEU 240 Cb 1.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.30 3pmg h LEU 240 CO 0.16 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.40 3pmg n GLY 241 N 1.33 0.74 3.73 0.83 0.00 0.02 -4.31 105.19 107.53 3pmg n GLY 241 Ca 0.03 0.00 -0.39 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 n ALA 242 N -0.32 1.41 -1.66 4.61 0.00 -0.12 -4.50 120.51 119.92 3pmg n ALA 242 Ca 0.00 0.12 -0.40 0.00 0.00 0.00 0.00 53.44 53.16 3pmg n ALA 242 Cb 0.00 -2.33 0.02 0.00 0.00 0.00 0.00 19.45 17.15 3pmg n ALA 242 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3pmg n PRO 243 N -1.00 1.54 0.18 0.00 -0.02 -1.26 -4.40 135.00 130.05 3pmg n PRO 243 Ca 0.11 0.56 0.18 0.00 -2.02 0.00 0.00 63.50 62.33 3pmg n PRO 243 Cb 0.45 -2.26 0.81 0.00 -0.02 0.00 0.00 33.50 32.48 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 1.56 1.85 -0.01 3.55 0.00 -1.94 -0.82 119.26 123.45 3pmg h ALA 244 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3pmg h ALA 244 Cb 1.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3pmg h ALA 244 CO 0.57 -0.39 0.00 0.27 0.00 0.00 0.00 179.25 179.70 3pmg n ASN 245 N -3.71 0.08 0.18 0.00 6.94 -1.26 -2.85 115.26 114.64 3pmg n ASN 245 Ca 0.03 -1.69 0.08 0.00 -0.02 0.00 0.00 54.58 52.98 3pmg n ASN 245 Cb 0.41 -0.01 0.12 0.00 -2.36 0.00 0.00 39.78 37.94 3pmg n ASN 245 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3pmg h SER 246 N 0.10 0.00 -3.65 0.53 0.02 -1.36 -3.44 113.55 105.75 3pmg h SER 246 Ca 0.00 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.27 3pmg h SER 246 Cb 0.02 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.33 3pmg h SER 246 CO 0.00 0.23 -0.57 0.00 -1.14 0.00 0.00 176.83 175.36 3pmg s ALA 247 N -3.12 3.24 -0.03 3.77 0.00 -1.13 -0.62 121.76 123.87 3pmg s ALA 247 Ca 0.05 -1.40 0.05 0.00 0.00 0.00 0.00 51.96 50.66 3pmg s ALA 247 Cb 0.06 -2.35 -0.02 0.00 0.00 0.00 0.00 23.12 20.81 3pmg s ALA 247 CO 0.70 -0.91 -0.17 0.08 0.00 0.00 0.00 175.76 175.45 3pmg s VAL 248 N 1.59 2.79 -1.46 0.00 1.01 0.45 -4.66 120.40 120.12 3pmg s VAL 248 Ca 0.04 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 3pmg s VAL 248 Cb -0.17 -2.08 0.06 0.00 0.00 0.00 0.00 36.38 34.19 3pmg s VAL 248 CO 0.06 0.57 0.94 0.59 0.00 0.00 0.00 175.10 177.25 3pmg n ASN 249 N 2.27 -4.06 -1.29 3.32 3.02 -1.26 -0.72 115.26 116.54 3pmg n ASN 249 Ca -0.17 -0.76 0.04 0.00 -0.03 0.00 0.00 54.58 53.66 3pmg n ASN 249 Cb 0.52 -4.07 0.24 0.00 -0.61 0.00 0.00 39.78 35.85 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 -2.00 2.76 0.13 0.00 1.01 -1.26 -3.65 120.40 117.39 3pmg s VAL 251 Ca 0.32 -1.12 -0.34 0.00 0.00 0.00 0.00 61.98 60.84 3pmg s VAL 251 Cb 0.24 -2.43 -0.14 0.00 0.00 0.00 0.00 36.38 34.06 3pmg s VAL 251 CO 0.10 0.17 1.62 -2.65 0.00 0.00 0.00 175.10 174.33 3pmg n PRO 252 N 4.63 2.15 -4.68 2.72 -0.02 -1.26 -4.60 135.00 133.95 3pmg n PRO 252 Ca -0.16 0.78 -0.30 0.00 -2.02 0.00 0.00 63.50 61.80 3pmg n PRO 252 Cb 0.46 -2.56 -0.14 0.00 -0.02 0.00 0.00 33.50 31.25 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 1.32 2.26 0.07 2.45 1.43 -0.66 -4.99 118.68 120.57 3pmg s LEU 253 Ca 0.81 -0.64 0.09 0.00 -1.03 0.00 0.00 54.13 53.35 3pmg s LEU 253 Cb -0.68 -1.28 0.42 0.00 0.03 0.00 0.00 46.19 44.67 3pmg s LEU 253 CO 0.40 0.23 1.28 -0.62 0.23 0.00 0.00 176.35 177.86 3pmg n GLU 254 N 1.41 0.04 -0.09 1.70 1.02 -1.26 -1.52 120.64 121.94 3pmg n GLU 254 Ca -0.17 0.45 0.02 0.00 -0.02 0.00 0.00 57.16 57.44 3pmg n GLU 254 Cb 0.52 -1.60 0.02 0.00 -0.02 0.00 0.00 31.44 30.37 3pmg n GLU 254 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3pmg n ASP 255 N -1.67 1.11 -4.03 1.62 5.75 -1.26 -1.00 116.55 117.06 3pmg n ASP 255 Ca 0.01 -1.87 -0.31 0.00 -0.01 0.00 0.00 54.79 52.61 3pmg n ASP 255 Cb 0.07 -0.11 -0.01 0.00 -1.03 0.00 0.00 41.12 40.04 3pmg n ASP 255 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3pmg n PHE 256 N -0.42 -1.89 -3.77 2.11 3.72 -0.57 -1.33 117.46 115.30 3pmg n PHE 256 Ca 0.03 0.82 -0.27 0.00 -0.05 0.00 0.00 57.45 57.97 3pmg n PHE 256 Cb 0.47 -3.55 0.05 0.00 -0.94 0.00 0.00 39.48 35.51 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 -1.64 -0.52 3.11 1.37 0.00 -1.26 -1.75 105.19 104.50 3pmg n GLY 257 Ca -0.06 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.83 0.35 3.74 -0.02 0.00 -0.44 -5.00 105.19 101.99 3pmg n GLY 258 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 3pmg n GLY 258 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3pmg s HIS 259 N -1.96 2.62 -0.21 1.61 3.76 -0.72 -5.11 115.29 115.29 3pmg s HIS 259 Ca 0.00 -0.54 -0.22 0.00 -0.15 0.00 0.00 55.06 54.15 3pmg s HIS 259 Cb 0.00 -1.90 -0.02 0.00 1.11 0.00 0.00 32.58 31.77 3pmg s HIS 259 CO 0.00 0.21 0.70 -1.01 -0.85 0.00 0.00 174.74 173.79 3pmg s HIS 260 N -2.56 3.36 -1.31 1.40 0.09 -1.26 -4.65 115.29 110.35 3pmg s HIS 260 Ca 0.41 1.01 -0.17 0.00 -0.00 0.00 0.00 55.06 56.30 3pmg s HIS 260 Cb 0.02 -2.89 0.03 0.00 -0.00 0.00 0.00 32.58 29.74 3pmg s HIS 260 CO 0.23 -0.25 1.97 -0.35 -0.00 0.00 0.00 174.74 176.33 3pmg n PRO 261 N 5.35 2.79 -3.96 8.40 -0.04 -1.25 -4.84 135.00 141.45 3pmg n PRO 261 Ca 0.01 -2.83 -0.30 0.00 -0.04 0.00 0.00 63.50 60.35 3pmg n PRO 261 Cb 0.49 -3.39 -0.16 0.00 -0.04 0.00 0.00 33.50 30.40 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 4.07 3.07 -1.02 3.54 -1.08 -1.26 -2.10 116.67 121.88 3pmg s ASP 262 Ca 0.53 -0.73 -0.23 0.00 -0.52 0.00 0.00 52.55 51.59 3pmg s ASP 262 Cb 0.08 -1.11 -0.03 0.00 -1.46 0.00 0.00 42.92 40.40 3pmg s ASP 262 CO 0.02 -0.14 1.83 -2.16 0.52 0.00 0.00 175.17 175.24 3pmg s PRO 263 N 1.49 2.87 0.24 4.34 0.04 -1.26 -4.17 135.00 138.55 3pmg s PRO 263 Ca 0.01 -0.80 -0.14 0.00 0.04 0.00 0.00 61.00 60.11 3pmg s PRO 263 Cb -0.15 -5.20 0.00 0.00 0.04 0.00 0.00 34.50 29.19 3pmg s PRO 263 CO -0.08 -3.18 0.50 0.54 0.04 0.00 0.00 177.00 174.81 3pmg s ASN 264 N 6.76 -0.12 0.60 6.66 2.20 -1.26 -4.59 114.94 125.19 3pmg s ASN 264 Ca 0.64 -0.85 0.29 0.00 -0.94 0.00 0.00 52.86 51.99 3pmg s ASN 264 Cb -0.03 0.59 1.53 0.00 -2.00 0.00 0.00 41.25 41.34 3pmg s ASN 264 CO 0.01 -1.14 1.94 -0.07 -2.94 0.00 0.00 177.10 174.90 3pmg h LEU 265 N 2.24 0.00 0.00 3.54 3.38 -1.92 -0.42 115.31 122.12 3pmg h LEU 265 Ca -0.26 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.42 3pmg h LEU 265 Cb 1.25 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 3pmg h LEU 265 CO 0.35 0.00 -2.11 0.35 0.09 0.00 0.00 178.44 177.12 3pmg n THR 266 N -3.62 1.12 0.17 0.22 -2.24 -1.26 -3.48 114.28 105.19 3pmg n THR 266 Ca 0.05 -0.49 0.02 0.00 -2.27 0.00 0.00 64.05 61.36 3pmg n THR 266 Cb 0.56 -1.04 0.35 0.00 -2.10 0.00 0.00 70.33 68.09 3pmg n THR 266 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3pmg h TYR 267 N 0.00 0.07 -1.41 4.78 0.05 -1.71 -2.69 116.97 116.05 3pmg h TYR 267 Ca -0.44 -0.01 -0.66 0.00 0.05 0.00 0.00 58.73 57.67 3pmg h TYR 267 Cb 1.76 -0.02 -0.34 0.00 1.01 0.00 0.00 36.73 39.14 3pmg h TYR 267 CO 0.02 0.40 0.22 0.00 -1.05 0.00 0.00 178.16 177.74 3pmg n ALA 268 N -2.47 5.84 0.21 3.88 0.00 -0.20 -4.76 120.51 123.01 3pmg n ALA 268 Ca -0.02 -3.96 0.06 0.00 0.00 0.00 0.00 53.44 49.52 3pmg n ALA 268 Cb 0.39 -1.27 0.48 0.00 0.00 0.00 0.00 19.45 19.06 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 2.51 1.35 -0.14 0.00 0.00 -1.51 -2.74 119.26 118.73 3pmg h ALA 269 Ca 0.47 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3pmg h ALA 269 Cb 0.72 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3pmg h ALA 269 CO 1.20 0.34 -0.00 -0.44 0.00 0.00 0.00 179.25 180.34 3pmg h ASP 270 N 0.00 -0.06 -0.52 0.00 5.19 -1.87 0.27 116.42 119.43 3pmg h ASP 270 Ca -0.00 0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 56.37 3pmg h ASP 270 Cb 0.55 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.10 3pmg h ASP 270 CO 0.04 -0.01 0.07 0.25 -3.12 0.00 0.00 179.24 176.46 3pmg h LEU 271 N 0.04 0.84 -1.23 1.55 6.46 -1.94 -1.00 115.31 120.03 3pmg h LEU 271 Ca 0.06 -0.27 -0.07 0.00 -0.12 0.00 0.00 57.88 57.49 3pmg h LEU 271 Cb 0.08 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.78 3pmg h LEU 271 CO -0.11 0.89 -0.18 0.58 -0.62 0.00 0.00 178.44 179.00 3pmg h VAL 272 N 0.75 1.22 -0.41 1.05 2.07 -1.08 -0.62 116.25 119.23 3pmg h VAL 272 Ca 0.16 -0.99 -0.07 0.00 0.82 0.00 0.00 66.70 66.61 3pmg h VAL 272 Cb 0.42 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3pmg h VAL 272 CO 0.01 0.31 -0.03 -0.08 0.02 0.00 0.00 177.57 177.80 3pmg h GLU 273 N 0.28 0.75 -0.85 1.57 4.81 -0.02 -2.02 114.58 119.10 3pmg h GLU 273 Ca 0.05 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3pmg h GLU 273 Cb 0.49 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 3pmg h GLU 273 CO 0.03 0.84 0.55 1.15 -0.73 0.00 0.00 179.01 180.85 3pmg h THR 274 N 0.57 1.22 0.00 0.32 2.02 -0.63 -2.57 112.91 113.85 3pmg h THR 274 Ca 0.11 -0.44 -0.06 0.00 0.77 0.00 0.00 66.41 66.80 3pmg h THR 274 Cb 0.52 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3pmg h THR 274 CO 0.03 0.22 -0.29 0.24 0.37 0.00 0.00 175.52 176.09 3pmg h MET 275 N 1.15 0.00 -0.04 6.66 2.86 -0.78 -3.22 114.93 121.56 3pmg h MET 275 Ca 0.31 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.96 3pmg h MET 275 Cb -0.10 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.55 3pmg h MET 275 CO -0.06 0.29 0.03 0.87 1.06 0.00 0.00 176.91 179.10 3pmg h LYS 276 N 0.00 0.00 0.00 1.72 6.56 -0.94 -2.51 116.57 121.40 3pmg h LYS 276 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3pmg h LYS 276 Cb 0.64 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.30 3pmg h LYS 276 CO 0.04 0.00 0.00 0.66 -2.06 0.00 0.00 179.45 178.09 3pmg h SER 277 N 0.00 0.00 0.00 0.86 4.64 -1.68 -3.43 113.55 113.94 3pmg h SER 277 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3pmg h SER 277 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3pmg h SER 277 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3pmg n GLY 278 N -0.66 0.92 0.08 -0.77 0.00 -0.96 -4.95 105.19 98.85 3pmg n GLY 278 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 3pmg n GLY 278 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3pmg h GLU 279 N 3.75 0.11 -6.65 1.61 4.81 -1.83 -3.45 114.58 112.93 3pmg h GLU 279 Ca 0.00 -0.08 -0.50 0.00 -0.13 0.00 0.00 59.36 58.65 3pmg h GLU 279 Cb 0.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3pmg h GLU 279 CO 0.00 0.67 -0.04 -1.01 -0.73 0.00 0.00 179.01 177.91 3pmg s HIS 280 N -3.87 3.48 -0.21 0.92 0.09 -1.26 -4.87 115.29 109.58 3pmg s HIS 280 Ca -0.16 0.77 0.22 0.00 -0.00 0.00 0.00 55.06 55.90 3pmg s HIS 280 Cb 0.02 -2.22 -0.04 0.00 -0.00 0.00 0.00 32.58 30.34 3pmg s HIS 280 CO 0.71 0.03 0.97 -0.25 -0.00 0.00 0.00 174.74 176.20 3pmg n ASP 281 N -1.24 0.75 -3.74 1.40 8.00 0.37 -4.23 116.55 117.86 3pmg n ASP 281 Ca -0.00 0.29 -0.13 0.00 0.71 0.00 0.00 54.79 55.65 3pmg n ASP 281 Cb 0.54 0.63 -0.10 0.00 -0.02 0.00 0.00 41.12 42.17 3pmg n ASP 281 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3pmg s PHE 282 N -3.38 -0.35 0.03 1.24 5.36 -1.14 -3.24 117.98 116.50 3pmg s PHE 282 Ca -0.01 0.80 -0.02 0.00 -0.96 0.00 0.00 56.93 56.73 3pmg s PHE 282 Cb 0.10 0.14 -0.02 0.00 -0.34 0.00 0.00 43.02 42.90 3pmg s PHE 282 CO 0.80 -0.27 0.02 0.20 -1.46 0.00 0.00 175.22 174.51 3pmg s GLY 283 N -0.31 0.23 0.11 13.12 0.00 -0.25 -1.63 107.32 118.59 3pmg s GLY 283 Ca -0.05 -0.60 -0.23 0.00 0.00 0.00 0.00 44.72 43.85 3pmg s GLY 283 CO 0.02 -0.70 0.57 0.00 0.00 0.00 0.00 173.10 172.99 3pmg s ALA 284 N -2.03 -1.48 0.03 3.20 0.00 -0.87 -1.65 121.76 118.97 3pmg s ALA 284 Ca -0.10 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.38 3pmg s ALA 284 Cb -0.05 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.72 3pmg s ALA 284 CO -0.03 -0.66 -0.04 0.00 0.00 0.00 0.00 175.76 175.03 3pmg s ALA 285 N -3.26 0.33 0.21 0.00 0.00 -0.97 -0.70 121.76 117.36 3pmg s ALA 285 Ca -0.01 -0.77 0.09 0.00 0.00 0.00 0.00 51.96 51.27 3pmg s ALA 285 Cb -0.00 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.22 3pmg s ALA 285 CO -0.08 -0.17 -0.17 -0.06 0.00 0.00 0.00 175.76 175.28 3pmg s PHE 286 N -1.94 1.87 0.68 0.00 0.08 -1.06 -1.53 117.98 116.08 3pmg s PHE 286 Ca -0.10 -0.49 -0.05 0.00 0.12 0.00 0.00 56.93 56.41 3pmg s PHE 286 Cb -0.06 -0.87 0.06 0.00 -0.57 0.00 0.00 43.02 41.58 3pmg s PHE 286 CO -0.02 0.43 0.98 0.16 -0.10 0.00 0.00 175.22 176.66 3pmg s ASP 287 N -3.19 4.86 0.36 1.36 -4.77 -1.09 -4.35 116.67 109.85 3pmg s ASP 287 Ca 0.22 0.35 0.16 0.00 -3.30 0.00 0.00 52.55 49.99 3pmg s ASP 287 Cb -0.03 -1.03 1.21 0.00 -1.09 0.00 0.00 42.92 41.98 3pmg s ASP 287 CO 0.09 -1.54 1.58 1.23 0.70 0.00 0.00 175.17 177.22 3pmg h GLY 288 N -0.50 2.04 -1.08 2.12 0.00 -1.76 -1.55 103.07 102.34 3pmg h GLY 288 Ca -0.44 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3pmg h GLY 288 CO 0.58 -0.73 0.00 2.09 0.00 0.00 0.00 176.54 178.48 3pmg n ASP 289 N -5.31 3.25 0.00 0.19 3.85 -1.26 -1.95 116.55 115.33 3pmg n ASP 289 Ca 0.35 -2.79 0.00 0.00 -0.71 0.00 0.00 54.79 51.64 3pmg n ASP 289 Cb 1.16 -0.43 0.00 0.00 -1.35 0.00 0.00 41.12 40.51 3pmg n ASP 289 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3pmg n GLY 290 N -0.54 0.86 0.11 6.12 0.00 -0.59 -1.67 105.19 109.49 3pmg n GLY 290 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 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 -4.27 1.61 3.85 -1.26 0.10 116.55 117.06 3pmg n ASP 291 Ca 0.00 -0.52 -0.20 0.00 -0.71 0.00 0.00 54.79 53.36 3pmg n ASP 291 Cb 0.00 -0.07 -0.11 0.00 -1.35 0.00 0.00 41.12 39.59 3pmg n ASP 291 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 3pmg s ARG 292 N -2.53 1.11 -0.00 0.11 0.52 -1.26 -3.38 118.95 113.52 3pmg s ARG 292 Ca 0.27 -1.28 -0.14 0.00 -0.52 0.00 0.00 55.73 54.06 3pmg s ARG 292 Cb 0.20 -1.09 0.02 0.00 0.52 0.00 0.00 34.95 34.60 3pmg s ARG 292 CO 0.49 0.22 0.30 0.54 0.02 0.00 0.00 175.30 176.87 3pmg s ASN 293 N -2.44 -0.17 -0.09 0.23 4.22 -0.73 -2.66 114.94 113.30 3pmg s ASN 293 Ca 0.10 0.02 0.04 0.00 -2.14 0.00 0.00 52.86 50.89 3pmg s ASN 293 Cb -0.06 0.31 -0.00 0.00 1.28 0.00 0.00 41.25 42.78 3pmg s ASN 293 CO 0.04 -0.47 -0.23 -0.32 -2.04 0.00 0.00 177.10 174.08 3pmg s MET 294 N -1.53 2.91 -0.13 3.55 1.75 -0.58 -4.66 119.30 120.61 3pmg s MET 294 Ca -0.12 -0.87 -0.02 0.00 -1.25 0.00 0.00 55.69 53.42 3pmg s MET 294 Cb -0.05 -2.28 -0.03 0.00 2.84 0.00 0.00 34.83 35.32 3pmg s MET 294 CO 0.03 0.25 -0.05 0.42 -0.65 0.00 0.00 175.02 175.02 3pmg s ILE 295 N 0.17 3.80 -0.02 10.11 -1.09 -1.26 -2.29 121.20 130.62 3pmg s ILE 295 Ca -0.13 -0.41 0.03 0.00 -2.23 0.00 0.00 60.65 57.91 3pmg s ILE 295 Cb -0.16 -2.63 -0.01 0.00 -1.58 0.00 0.00 42.46 38.08 3pmg s ILE 295 CO 0.07 0.53 -0.11 -0.76 -1.23 0.00 0.00 174.94 173.44 3pmg s LEU 296 N -0.00 1.95 0.00 2.97 1.43 -0.66 -1.82 118.68 122.55 3pmg s LEU 296 Ca 0.00 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 3pmg s LEU 296 Cb -0.13 -0.61 0.00 0.00 0.03 0.00 0.00 46.19 45.47 3pmg s LEU 296 CO 0.03 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.34 3pmg n GLY 297 N 2.95 2.08 3.71 -3.19 0.00 0.19 -1.09 105.19 109.84 3pmg n GLY 297 Ca -0.15 -2.11 -0.40 0.00 0.00 0.00 0.00 46.02 43.36 3pmg n GLY 297 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3pmg n LYS 298 N -0.71 1.76 -1.09 1.61 4.81 -1.20 -2.03 118.16 121.30 3pmg n LYS 298 Ca 0.00 0.64 -0.03 0.00 -0.87 0.00 0.00 58.31 58.05 3pmg n LYS 298 Cb 0.00 -2.45 -0.01 0.00 0.02 0.00 0.00 35.03 32.59 3pmg n LYS 298 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3pmg n HIS 299 N -0.67 0.00 -0.19 5.64 8.25 -1.12 -2.75 115.22 124.39 3pmg n HIS 299 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3pmg n HIS 299 Cb 0.42 -1.96 0.00 0.00 1.12 0.00 0.00 29.99 29.57 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 0.23 0.62 3.56 -1.41 0.00 -0.86 -4.24 105.19 103.09 3pmg n GLY 300 Ca -0.03 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.02 1.73 -2.82 1.61 7.35 -1.11 -4.70 117.46 117.51 3pmg n PHE 301 Ca 0.00 0.59 -0.42 0.00 -0.76 0.00 0.00 57.45 56.86 3pmg n PHE 301 Cb 0.00 -2.42 -0.03 0.00 0.35 0.00 0.00 39.48 37.38 3pmg n PHE 301 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 3pmg s PHE 302 N 4.93 3.46 -0.39 -5.13 5.36 -1.26 -0.64 117.98 124.31 3pmg s PHE 302 Ca 1.06 1.38 -0.16 0.00 -0.96 0.00 0.00 56.93 58.25 3pmg s PHE 302 Cb -1.15 -3.07 0.01 0.00 -0.34 0.00 0.00 43.02 38.46 3pmg s PHE 302 CO 0.64 -0.22 0.40 0.08 -1.46 0.00 0.00 175.22 174.65 3pmg s VAL 303 N 2.05 5.13 0.38 3.12 1.01 -0.76 -4.97 120.40 126.37 3pmg s VAL 303 Ca 0.42 -0.25 -0.28 0.00 0.00 0.00 0.00 61.98 61.87 3pmg s VAL 303 Cb -0.17 -3.95 -0.11 0.00 0.00 0.00 0.00 36.38 32.15 3pmg s VAL 303 CO 0.15 -0.30 1.47 0.21 0.00 0.00 0.00 175.10 176.63 3pmg s ASN 304 N 1.77 6.30 0.54 3.32 3.84 -1.26 -4.51 114.94 124.95 3pmg s ASN 304 Ca 0.11 3.02 0.24 0.00 0.21 0.00 0.00 52.86 56.45 3pmg s ASN 304 Cb -0.17 -2.67 1.52 0.00 -0.55 0.00 0.00 41.25 39.38 3pmg s ASN 304 CO 0.13 -0.90 2.16 -0.65 -2.79 0.00 0.00 177.10 175.05 3pmg h PRO 305 N 2.93 0.00 0.00 0.43 0.11 -1.90 0.14 132.00 133.71 3pmg h PRO 305 Ca -0.51 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.45 3pmg h PRO 305 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 3pmg h PRO 305 CO 0.64 0.05 -0.73 0.77 -0.21 0.00 0.00 178.00 178.52 3pmg h SER 306 N 0.00 0.00 0.56 -2.05 0.02 -1.85 -2.94 113.55 107.30 3pmg h SER 306 Ca -0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 3pmg h SER 306 Cb 0.11 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.66 3pmg h SER 306 CO 0.01 0.73 -1.21 0.44 -1.14 0.00 0.00 176.83 175.65 3pmg h ASP 307 N 0.00 0.47 -0.29 3.07 3.32 -1.63 -3.24 116.42 118.12 3pmg h ASP 307 Ca -0.01 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3pmg h ASP 307 Cb 1.30 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 3pmg h ASP 307 CO 0.09 1.36 0.18 -1.28 -1.72 0.00 0.00 179.24 177.88 3pmg h SER 308 N 0.10 0.35 0.40 6.45 0.87 -0.73 -0.47 113.55 120.51 3pmg h SER 308 Ca -0.13 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.33 3pmg h SER 308 Cb 1.92 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.78 3pmg h SER 308 CO 0.20 0.27 -0.33 1.62 -0.53 0.00 0.00 176.83 178.07 3pmg h VAL 309 N 0.38 1.14 0.00 2.23 3.04 -1.64 -2.46 116.25 118.95 3pmg h VAL 309 Ca 0.11 -1.16 -0.19 0.00 -1.01 0.00 0.00 66.70 64.45 3pmg h VAL 309 Cb -0.01 1.64 -0.02 0.00 -2.01 0.00 0.00 31.29 30.89 3pmg h VAL 309 CO -0.02 0.32 -0.85 0.00 -1.01 0.00 0.00 177.57 176.01 3pmg h ALA 310 N 1.67 0.57 -0.20 3.17 0.00 -1.35 -1.75 119.26 121.38 3pmg h ALA 310 Ca -0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 54.91 54.13 3pmg h ALA 310 Cb 0.62 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3pmg h ALA 310 CO 0.04 0.94 -0.09 0.28 0.00 0.00 0.00 179.25 180.42 3pmg h VAL 311 N 0.08 1.30 -0.78 0.00 2.07 -0.72 -1.49 116.25 116.71 3pmg h VAL 311 Ca -0.03 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.31 3pmg h VAL 311 Cb 1.47 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.83 3pmg h VAL 311 CO 0.12 0.34 0.31 0.40 0.02 0.00 0.00 177.57 178.77 3pmg h ILE 312 N 0.12 1.26 -0.70 4.57 2.04 -1.48 -1.46 117.51 121.85 3pmg h ILE 312 Ca 0.05 -0.81 -0.05 0.00 1.00 0.00 0.00 64.86 65.05 3pmg h ILE 312 Cb 0.57 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 3pmg h ILE 312 CO 0.03 0.33 0.26 0.00 0.00 0.00 0.00 178.15 178.77 3pmg h ALA 313 N 1.20 0.92 0.00 1.87 0.00 -1.27 0.26 119.26 122.24 3pmg h ALA 313 Ca 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3pmg h ALA 313 Cb 0.21 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3pmg h ALA 313 CO -0.02 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.78 3pmg n ALA 314 N -2.41 1.97 -1.83 0.00 0.00 -0.57 -3.34 120.51 114.33 3pmg n ALA 314 Ca 0.05 0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.56 3pmg n ALA 314 Cb 0.19 -1.42 0.12 0.00 0.00 0.00 0.00 19.45 18.35 3pmg n ALA 314 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3pmg n ASN 315 N -2.14 1.42 0.22 0.00 3.02 -0.61 -4.89 115.26 112.28 3pmg n ASN 315 Ca 0.04 -3.03 0.05 0.00 -0.03 0.00 0.00 54.58 51.61 3pmg n ASN 315 Cb 0.32 -0.41 0.48 0.00 -0.61 0.00 0.00 39.78 39.56 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 3.25 1.13 0.00 2.41 2.10 -0.50 -2.61 117.51 123.29 3pmg h ILE 316 Ca -0.07 -0.76 0.00 0.00 1.08 0.00 0.00 64.86 65.11 3pmg h ILE 316 Cb 1.31 1.41 0.00 0.00 -1.09 0.00 0.00 36.82 38.45 3pmg h ILE 316 CO 0.03 0.21 0.00 0.49 -1.08 0.00 0.00 178.15 177.80 3pmg n PHE 317 N -4.24 0.00 1.43 2.19 3.72 -1.26 -1.74 117.46 117.56 3pmg n PHE 317 Ca -0.02 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.52 3pmg n PHE 317 Cb 0.28 0.00 0.56 0.00 -0.94 0.00 0.00 39.48 39.37 3pmg n PHE 317 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3pmg n SER 318 N -0.81 0.80 -4.40 4.37 3.41 -0.98 -4.74 113.62 111.27 3pmg n SER 318 Ca 0.11 -0.89 -0.35 0.00 -0.26 0.00 0.00 58.87 57.48 3pmg n SER 318 Cb 0.05 0.01 -0.13 0.00 -0.26 0.00 0.00 64.21 63.87 3pmg n SER 318 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3pmg s ILE 319 N -2.35 3.85 0.30 -1.33 1.01 -0.71 -4.83 121.20 117.15 3pmg s ILE 319 Ca 0.31 -0.33 0.05 0.00 0.00 0.00 0.00 60.65 60.68 3pmg s ILE 319 Cb 0.20 -2.77 0.32 0.00 0.01 0.00 0.00 42.46 40.22 3pmg s ILE 319 CO 0.45 0.40 1.65 -0.65 0.00 0.00 0.00 174.94 176.79 3pmg h PRO 320 N 7.94 0.22 -0.43 2.79 0.11 -1.85 -2.16 132.00 138.62 3pmg h PRO 320 Ca -0.39 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.80 3pmg h PRO 320 Cb 1.17 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.15 3pmg h PRO 320 CO 0.60 0.15 -0.10 -0.92 -0.21 0.00 0.00 178.00 177.51 3pmg h TYR 321 N 0.23 -0.22 0.00 0.65 3.20 -1.61 -1.22 116.97 118.00 3pmg h TYR 321 Ca 0.60 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 62.41 3pmg h TYR 321 Cb 1.25 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.67 3pmg h TYR 321 CO -0.21 -0.18 -0.44 0.74 -1.64 0.00 0.00 178.16 176.43 3pmg h PHE 322 N 0.00 0.00 -0.38 -3.82 0.04 -1.68 0.32 116.94 111.43 3pmg h PHE 322 Ca 0.20 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.90 3pmg h PHE 322 Cb 0.31 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.44 3pmg h PHE 322 CO -0.37 0.44 -0.08 1.96 -0.60 0.00 0.00 178.31 179.65 3pmg h GLN 323 N 0.00 0.64 0.00 1.51 4.20 -1.15 -0.32 115.11 119.99 3pmg h GLN 323 Ca -0.00 -0.19 -0.20 0.00 0.06 0.00 0.00 58.65 58.32 3pmg h GLN 323 Cb 0.93 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.61 3pmg h GLN 323 CO 0.06 0.72 -1.06 1.96 -0.67 0.00 0.00 178.83 179.84 3pmg h GLN 324 N 0.59 0.00 0.11 1.46 4.20 -0.65 -3.37 115.11 117.44 3pmg h GLN 324 Ca 0.11 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.48 3pmg h GLN 324 Cb 0.50 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 3pmg h GLN 324 CO 0.03 0.72 -1.80 1.15 -0.67 0.00 0.00 178.83 178.26 3pmg h THR 325 N 0.00 0.84 0.00 -0.54 2.02 -0.93 -3.52 112.91 110.78 3pmg h THR 325 Ca -0.07 -2.54 0.00 0.00 0.77 0.00 0.00 66.41 64.56 3pmg h THR 325 Cb 1.71 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 70.70 3pmg h THR 325 CO 0.10 0.80 0.00 0.61 0.37 0.00 0.00 175.52 177.39 3pmg n GLY 326 N 1.81 -1.37 3.56 2.16 0.00 -0.14 -4.85 105.19 106.38 3pmg n GLY 326 Ca -0.24 -1.54 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 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 -3.10 5.20 -0.86 1.61 1.01 -1.26 -4.88 120.40 118.11 3pmg s VAL 327 Ca 0.00 0.16 0.27 0.00 0.00 0.00 0.00 61.98 62.41 3pmg s VAL 327 Cb 0.00 -3.74 0.22 0.00 0.00 0.00 0.00 36.38 32.86 3pmg s VAL 327 CO 0.00 0.02 1.78 0.54 0.00 0.00 0.00 175.10 177.44 3pmg n ARG 328 N 5.31 0.13 0.00 2.72 1.74 -1.26 -4.99 116.66 120.30 3pmg n ARG 328 Ca -0.10 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3pmg n ARG 328 Cb 0.50 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 3pmg n ARG 328 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3pmg n GLY 329 N 1.41 3.94 3.58 -0.13 0.00 -1.24 -3.89 105.19 108.86 3pmg n GLY 329 Ca 0.06 -1.11 -0.26 0.00 0.00 0.00 0.00 46.02 44.71 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 2.64 -0.17 1.61 0.08 -0.35 -0.94 117.98 118.86 3pmg s PHE 330 Ca 0.00 -0.22 -0.25 0.00 0.12 0.00 0.00 56.93 56.58 3pmg s PHE 330 Cb 0.00 -1.27 0.06 0.00 -0.57 0.00 0.00 43.02 41.25 3pmg s PHE 330 CO 0.00 0.54 0.64 0.00 -0.10 0.00 0.00 175.22 176.29 3pmg s ALA 331 N -1.83 -1.61 0.05 5.36 0.00 -0.86 -2.02 121.76 120.84 3pmg s ALA 331 Ca 0.26 1.57 0.02 0.00 0.00 0.00 0.00 51.96 53.81 3pmg s ALA 331 Cb -0.08 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 3pmg s ALA 331 CO 0.16 -0.32 -0.07 -0.98 0.00 0.00 0.00 175.76 174.54 3pmg s ARG 332 N -0.26 0.55 0.68 0.00 1.70 -0.90 -1.47 118.95 119.25 3pmg s ARG 332 Ca -0.04 -0.82 -0.13 0.00 -0.47 0.00 0.00 55.73 54.27 3pmg s ARG 332 Cb -0.03 -0.25 0.01 0.00 -0.57 0.00 0.00 34.95 34.11 3pmg s ARG 332 CO 0.04 0.03 1.09 -1.54 -1.08 0.00 0.00 175.30 173.84 3pmg s SER 333 N -1.74 5.11 0.23 -2.89 1.04 -1.03 -1.75 113.70 112.67 3pmg s SER 333 Ca -0.08 1.85 -0.07 0.00 0.48 0.00 0.00 55.95 58.14 3pmg s SER 333 Cb -0.08 -2.53 0.39 0.00 0.10 0.00 0.00 66.02 63.90 3pmg s SER 333 CO -0.00 -1.62 1.71 -0.03 0.98 0.00 0.00 173.24 174.28 3pmg h MET 334 N -0.34 0.34 0.00 4.02 4.05 0.24 -1.84 114.93 121.39 3pmg h MET 334 Ca -0.45 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 3pmg h MET 334 Cb 1.23 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.95 3pmg h MET 334 CO 0.54 0.22 0.00 -0.35 0.23 0.00 0.00 176.91 177.56 3pmg n PRO 335 N -5.07 0.06 -2.17 0.39 -0.05 -1.26 -4.80 135.00 122.10 3pmg n PRO 335 Ca 0.12 0.18 -0.33 0.00 -0.05 0.00 0.00 63.50 63.42 3pmg n PRO 335 Cb 0.38 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.33 3pmg n PRO 335 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 175.50 176.44 3pmg s THR 336 N -2.89 3.74 0.97 0.52 2.01 -0.69 -4.92 115.64 114.37 3pmg s THR 336 Ca 0.11 0.90 -0.11 0.00 0.31 0.00 0.00 61.69 62.90 3pmg s THR 336 Cb 0.12 -3.38 0.17 0.00 0.01 0.00 0.00 72.50 69.42 3pmg s THR 336 CO 0.31 -0.41 1.10 -0.94 -0.69 0.00 0.00 174.62 173.99 3pmg s SER 337 N -2.51 2.59 0.00 3.53 1.04 -1.26 -4.92 113.70 112.17 3pmg s SER 337 Ca 0.65 1.88 0.14 0.00 0.48 0.00 0.00 55.95 59.10 3pmg s SER 337 Cb -0.17 -2.44 0.68 0.00 0.10 0.00 0.00 66.02 64.20 3pmg s SER 337 CO 0.32 -3.26 1.46 0.61 0.98 0.00 0.00 173.24 173.35 3pmg n GLY 338 N 0.07 -0.57 0.31 7.32 0.00 -1.26 -4.19 105.19 106.87 3pmg n GLY 338 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 3.54 1.12 -0.09 4.61 0.00 -1.91 -1.08 119.26 125.46 3pmg h ALA 339 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3pmg h ALA 339 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3pmg h ALA 339 CO 0.00 0.22 -0.26 1.25 0.00 0.00 0.00 179.25 180.46 3pmg h LEU 340 N 0.91 0.15 -1.14 0.00 5.85 -1.77 -2.55 115.31 116.75 3pmg h LEU 340 Ca 0.36 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.97 3pmg h LEU 340 Cb 0.18 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3pmg h LEU 340 CO -0.18 0.41 -0.18 0.44 -0.34 0.00 0.00 178.44 178.59 3pmg h ASP 341 N 0.14 0.37 -0.66 1.25 5.19 -1.49 0.52 116.42 121.74 3pmg h ASP 341 Ca 0.02 -0.10 -0.08 0.00 -0.62 0.00 0.00 57.03 56.25 3pmg h ASP 341 Cb 0.54 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.92 3pmg h ASP 341 CO 0.04 0.57 0.09 0.03 -3.12 0.00 0.00 179.24 176.85 3pmg h ARG 342 N 0.35 1.10 -0.06 3.56 2.47 -1.23 0.62 114.38 121.19 3pmg h ARG 342 Ca 0.06 -0.31 -0.12 0.00 -1.26 0.00 0.00 59.98 58.36 3pmg h ARG 342 Cb 0.52 -0.12 0.01 0.00 -1.65 0.00 0.00 29.97 28.73 3pmg h ARG 342 CO 0.03 1.02 -0.43 0.28 0.56 0.00 0.00 179.97 181.44 3pmg h VAL 343 N 1.02 1.41 -0.38 2.04 2.07 -1.14 -0.30 116.25 120.96 3pmg h VAL 343 Ca 0.20 -1.83 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 3pmg h VAL 343 Cb 0.47 2.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 3pmg h VAL 343 CO 0.02 0.53 0.18 0.00 0.02 0.00 0.00 177.57 178.32 3pmg h ALA 344 N 0.42 1.59 0.12 1.67 0.00 -0.81 -1.54 119.26 120.71 3pmg h ALA 344 Ca -0.03 -0.09 -0.30 0.00 0.00 0.00 0.00 54.91 54.49 3pmg h ALA 344 Cb 1.09 -0.16 0.03 0.00 0.00 0.00 0.00 17.79 18.75 3pmg h ALA 344 CO 0.09 0.33 -1.24 -0.91 0.00 0.00 0.00 179.25 177.51 3pmg h ASN 345 N 0.54 0.89 -0.63 0.00 -0.26 -0.81 0.45 115.58 115.75 3pmg h ASN 345 Ca 0.14 -0.82 -0.02 0.00 -0.56 0.00 0.00 56.30 55.03 3pmg h ASN 345 Cb 0.07 -0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 37.02 3pmg h ASN 345 CO -0.02 1.62 0.32 0.00 -1.06 0.00 0.00 177.43 178.29 3pmg h ALA 346 N 0.28 1.33 0.00 -0.83 0.00 -0.47 -2.71 119.26 116.86 3pmg h ALA 346 Ca -0.19 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3pmg h ALA 346 Cb 1.91 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3pmg h ALA 346 CO 0.24 0.53 -0.40 1.15 0.00 0.00 0.00 179.25 180.76 3pmg h THR 347 N 0.92 0.00 -5.09 0.00 2.02 -1.35 -3.49 112.91 105.93 3pmg h THR 347 Ca 0.23 -0.70 -0.27 0.00 0.77 0.00 0.00 66.41 66.44 3pmg h THR 347 Cb 0.09 1.46 0.15 0.00 -1.74 0.00 0.00 68.15 68.11 3pmg h THR 347 CO -0.03 0.00 -0.66 0.29 0.37 0.00 0.00 175.52 175.49 3pmg n LYS 348 N -2.48 -5.00 -5.29 6.66 5.02 -0.21 -5.04 118.16 111.83 3pmg n LYS 348 Ca 0.03 0.72 -0.31 0.00 -2.02 0.00 0.00 58.31 56.73 3pmg n LYS 348 Cb 0.48 -5.32 -0.16 0.00 -0.02 0.00 0.00 35.03 30.00 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 -3.31 2.05 0.34 -0.18 -1.09 -0.02 -5.04 121.20 113.95 3pmg s ILE 349 Ca 0.06 -1.09 -0.28 0.00 -2.23 0.00 0.00 60.65 57.11 3pmg s ILE 349 Cb -0.01 -1.72 -0.12 0.00 -1.58 0.00 0.00 42.46 39.03 3pmg s ILE 349 CO 0.62 0.57 1.42 0.00 -1.23 0.00 0.00 174.94 176.32 3pmg n ALA 350 N 2.72 1.89 -3.08 9.38 0.00 -1.26 -4.52 120.51 125.63 3pmg n ALA 350 Ca -0.17 0.36 -0.32 0.00 0.00 0.00 0.00 53.44 53.31 3pmg n ALA 350 Cb 0.52 -2.35 -0.16 0.00 0.00 0.00 0.00 19.45 17.46 3pmg n ALA 350 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3pmg s LEU 351 N -1.30 2.38 -0.07 0.00 1.98 -1.26 -1.21 118.68 119.20 3pmg s LEU 351 Ca 0.56 -0.44 0.04 0.00 -2.89 0.00 0.00 54.13 51.40 3pmg s LEU 351 Cb -0.53 -1.50 -0.02 0.00 0.66 0.00 0.00 46.19 44.81 3pmg s LEU 351 CO 0.60 0.18 -0.19 -0.31 -1.89 0.00 0.00 176.35 174.74 3pmg s TYR 352 N 0.25 2.60 -0.20 5.38 2.02 -0.86 -4.99 117.35 121.56 3pmg s TYR 352 Ca -0.13 -0.56 -0.02 0.00 -0.37 0.00 0.00 57.07 55.99 3pmg s TYR 352 Cb -0.16 -1.67 0.00 0.00 -0.40 0.00 0.00 41.96 39.73 3pmg s TYR 352 CO 0.07 -0.11 -0.11 -2.00 -1.57 0.00 0.00 175.55 171.82 3pmg s GLU 353 N -0.17 3.22 0.42 -0.62 2.12 -1.26 -2.12 118.70 120.29 3pmg s GLU 353 Ca -0.02 -0.71 0.06 0.00 0.36 0.00 0.00 54.97 54.67 3pmg s GLU 353 Cb -0.14 -2.81 -0.07 0.00 0.26 0.00 0.00 34.13 31.37 3pmg s GLU 353 CO 0.03 -0.18 0.06 0.95 -0.54 0.00 0.00 175.26 175.58 3pmg s THR 354 N 1.35 1.98 0.99 -1.70 -4.23 -0.72 -4.80 115.64 108.51 3pmg s THR 354 Ca 0.05 -1.92 -0.12 0.00 -1.18 0.00 0.00 61.69 58.51 3pmg s THR 354 Cb -0.14 -2.91 0.18 0.00 1.34 0.00 0.00 72.50 70.98 3pmg s THR 354 CO -0.07 0.00 1.08 -2.84 -0.54 0.00 0.00 174.62 172.26 3pmg s PRO 355 N -3.78 0.50 0.74 3.99 0.02 -1.26 0.88 135.00 136.09 3pmg s PRO 355 Ca 0.34 0.74 -0.11 0.00 0.02 0.00 0.00 61.00 61.98 3pmg s PRO 355 Cb 0.08 -1.73 0.04 0.00 0.02 0.00 0.00 34.50 32.91 3pmg s PRO 355 CO 0.18 -2.74 1.09 0.95 -0.33 0.00 0.00 177.00 176.15 3pmg s THR 356 N -2.85 3.41 0.00 0.99 -4.23 -1.26 -4.58 115.64 107.13 3pmg s THR 356 Ca 0.65 0.49 0.00 0.00 -1.18 0.00 0.00 61.69 61.65 3pmg s THR 356 Cb -0.20 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.63 3pmg s THR 356 CO 0.59 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 3pmg n GLY 357 N -1.19 2.89 0.21 3.99 0.00 -1.26 -4.95 105.19 104.87 3pmg n GLY 357 Ca 0.09 -1.90 -0.18 0.00 0.00 0.00 0.00 46.02 44.03 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 1.01 -0.88 1.61 7.01 -1.97 -3.38 115.95 119.36 3pmg h TRP 358 Ca 0.00 -0.48 0.20 0.00 2.11 0.00 0.00 58.89 60.72 3pmg h TRP 358 Cb 0.00 -0.14 -0.17 0.00 -2.10 0.00 0.00 29.16 26.75 3pmg h TRP 358 CO 0.00 1.31 -0.12 1.63 -2.79 0.00 0.00 178.44 178.47 3pmg n LYS 359 N -3.96 -0.08 0.13 2.65 4.01 -1.26 0.26 118.16 119.91 3pmg n LYS 359 Ca -0.09 1.34 0.03 0.00 -0.51 0.00 0.00 58.31 59.09 3pmg n LYS 359 Cb 0.77 -2.06 0.42 0.00 -0.51 0.00 0.00 35.03 33.65 3pmg n LYS 359 CO 0.00 0.00 0.00 0.74 -1.11 0.00 0.00 177.40 177.03 3pmg h PHE 360 N 0.00 0.24 -0.02 2.13 0.04 -1.91 -2.04 116.94 115.37 3pmg h PHE 360 Ca 0.47 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 61.15 3pmg h PHE 360 Cb 0.82 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.91 3pmg h PHE 360 CO -0.58 0.32 -0.23 0.74 -0.60 0.00 0.00 178.31 177.96 3pmg h PHE 361 N 0.22 0.27 -0.43 -0.55 0.04 -0.41 -3.04 116.94 113.04 3pmg h PHE 361 Ca 0.05 -0.13 0.09 0.00 2.80 0.00 0.00 57.97 60.78 3pmg h PHE 361 Cb 0.30 -0.04 -0.09 0.00 2.20 0.00 0.00 35.95 38.33 3pmg h PHE 361 CO 0.00 0.89 -0.14 0.78 -0.60 0.00 0.00 178.31 179.24 3pmg h GLY 362 N -0.43 0.24 0.27 -1.45 0.00 -1.11 0.41 103.07 100.99 3pmg h GLY 362 Ca -0.02 0.19 0.07 0.00 0.00 0.00 0.00 47.33 47.56 3pmg h GLY 362 CO 0.05 -0.18 -0.13 3.43 0.00 0.00 0.00 176.54 179.70 3pmg h ASN 363 N -0.05 -0.45 0.07 0.19 2.35 -1.47 0.17 115.58 116.39 3pmg h ASN 363 Ca 0.21 0.11 -0.13 0.00 -0.55 0.00 0.00 56.30 55.94 3pmg h ASN 363 Cb 0.37 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 3pmg h ASN 363 CO -0.47 -0.16 -0.43 -0.07 -1.65 0.00 0.00 177.43 174.65 3pmg h LEU 364 N -0.08 0.47 -0.22 1.61 3.38 -1.28 -1.59 115.31 117.61 3pmg h LEU 364 Ca 0.16 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3pmg h LEU 364 Cb 0.32 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3pmg h LEU 364 CO -0.36 0.85 -0.09 0.24 0.09 0.00 0.00 178.44 179.17 3pmg h MET 365 N 0.36 0.44 0.00 1.13 2.86 -0.54 0.64 114.93 119.83 3pmg h MET 365 Ca 0.03 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 3pmg h MET 365 Cb 0.91 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.55 3pmg h MET 365 CO 0.08 0.71 -0.08 -0.44 1.06 0.00 0.00 176.91 178.23 3pmg h ASP 366 N 0.16 0.00 -0.16 1.22 3.32 -0.61 0.20 116.42 120.55 3pmg h ASP 366 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3pmg h ASP 366 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3pmg h ASP 366 CO 0.03 0.08 0.00 0.00 -1.72 0.00 0.00 179.24 177.63 3pmg n ALA 367 N -2.25 2.52 -3.06 3.45 0.00 -0.60 -4.90 120.51 115.67 3pmg n ALA 367 Ca -0.02 -0.43 -0.22 0.00 0.00 0.00 0.00 53.44 52.77 3pmg n ALA 367 Cb 0.21 -1.10 0.04 0.00 0.00 0.00 0.00 19.45 18.60 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 0.11 -6.06 0.00 0.00 7.64 0.71 -4.90 113.62 111.13 3pmg n SER 368 Ca 0.14 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.71 3pmg n SER 368 Cb 0.25 -4.85 0.00 0.00 -1.01 0.00 0.00 64.21 58.60 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 -4.05 2.70 -3.68 1.43 5.02 0.19 -4.89 118.16 114.89 3pmg n LYS 369 Ca -0.10 -1.41 -0.16 0.00 -2.02 0.00 0.00 58.31 54.62 3pmg n LYS 369 Cb 0.61 -0.97 -0.15 0.00 -0.02 0.00 0.00 35.03 34.50 3pmg n LYS 369 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3pmg s LEU 370 N -0.91 0.07 -0.17 -0.35 2.96 -1.18 -3.60 118.68 115.50 3pmg s LEU 370 Ca 0.00 0.32 0.05 0.00 -0.22 0.00 0.00 54.13 54.28 3pmg s LEU 370 Cb 0.00 0.28 -0.14 0.00 0.50 0.00 0.00 46.19 46.84 3pmg s LEU 370 CO 0.00 -0.23 -0.11 -1.20 -1.32 0.00 0.00 176.35 173.50 3pmg n SER 371 N 5.12 2.26 -3.87 3.68 7.64 -0.12 -4.41 113.62 123.91 3pmg n SER 371 Ca -0.09 -0.07 -0.16 0.00 1.01 0.00 0.00 58.87 59.56 3pmg n SER 371 Cb 0.50 0.02 -0.15 0.00 -1.01 0.00 0.00 64.21 63.57 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 -5.81 1.55 0.04 -3.43 2.96 -1.14 -2.86 118.68 109.99 3pmg s LEU 372 Ca -0.20 -0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 53.64 3pmg s LEU 372 Cb 0.06 -0.23 -0.03 0.00 0.50 0.00 0.00 46.19 46.49 3pmg s LEU 372 CO 0.47 -0.03 -0.01 0.00 -1.32 0.00 0.00 176.35 175.46 3pmg s GLY 374 N -2.41 -0.06 0.00 0.00 0.00 -0.54 -1.69 107.32 102.62 3pmg s GLY 374 Ca -0.01 -0.31 0.01 0.00 0.00 0.00 0.00 44.72 44.42 3pmg s GLY 374 CO -0.07 -0.52 -0.05 -0.54 0.00 0.00 0.00 173.10 171.92 3pmg s GLU 375 N -3.53 0.38 0.62 2.90 2.02 -0.47 -2.47 118.70 118.15 3pmg s GLU 375 Ca 0.02 -0.22 0.39 0.00 0.02 0.00 0.00 54.97 55.18 3pmg s GLU 375 Cb 0.03 -0.34 2.03 0.00 0.10 0.00 0.00 34.13 35.95 3pmg s GLU 375 CO -0.09 0.09 2.24 1.05 0.02 0.00 0.00 175.26 178.57 3pmg h GLU 376 N 5.87 0.00 -2.35 1.61 -0.00 -1.87 -2.75 114.58 115.09 3pmg h GLU 376 Ca -0.28 0.00 -0.47 0.00 -0.00 0.00 0.00 59.36 58.61 3pmg h GLU 376 Cb 1.20 0.00 -0.08 0.00 -0.00 0.00 0.00 28.75 29.87 3pmg h GLU 376 CO 0.49 0.01 1.31 -1.13 -0.00 0.00 0.00 179.01 179.70 3pmg n SER 377 N -3.21 6.86 -3.14 3.06 3.41 -1.26 -4.67 113.62 114.68 3pmg n SER 377 Ca -0.02 -2.77 -0.22 0.00 -0.26 0.00 0.00 58.87 55.60 3pmg n SER 377 Cb 0.15 -1.41 0.02 0.00 -0.26 0.00 0.00 64.21 62.71 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 2.29 -1.86 -4.92 7.33 3.72 -1.24 -4.93 117.46 117.86 3pmg n PHE 378 Ca 0.57 0.47 -0.33 0.00 -0.05 0.00 0.00 57.45 58.11 3pmg n PHE 378 Cb 0.56 -3.72 -0.15 0.00 -0.94 0.00 0.00 39.48 35.23 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 -2.67 1.48 -0.09 1.37 0.00 -1.04 -1.78 107.32 104.59 3pmg s GLY 379 Ca 0.33 -0.93 -0.09 0.00 0.00 0.00 0.00 44.72 44.03 3pmg s GLY 379 CO 0.41 -0.32 0.26 -1.59 0.00 0.00 0.00 173.10 171.86 3pmg s THR 380 N 0.18 0.01 0.34 0.90 2.01 -1.26 -1.37 115.64 116.44 3pmg s THR 380 Ca -0.09 -0.04 -0.18 0.00 0.31 0.00 0.00 61.69 61.68 3pmg s THR 380 Cb -0.16 -0.39 0.05 0.00 0.01 0.00 0.00 72.50 72.02 3pmg s THR 380 CO 0.06 -0.02 0.79 -0.83 -0.69 0.00 0.00 174.62 173.92 3pmg s GLY 381 N 0.03 0.20 0.34 4.40 0.00 -0.68 -2.31 107.32 109.30 3pmg s GLY 381 Ca -0.01 -0.57 0.01 0.00 0.00 0.00 0.00 44.72 44.15 3pmg s GLY 381 CO 0.01 -0.09 0.41 -1.35 0.00 0.00 0.00 173.10 172.07 3pmg s SER 382 N -3.04 1.24 -0.01 1.64 1.04 -1.26 -2.27 113.70 111.03 3pmg s SER 382 Ca 0.14 -1.60 0.03 0.00 0.48 0.00 0.00 55.95 55.00 3pmg s SER 382 Cb -0.05 0.63 0.11 0.00 0.10 0.00 0.00 66.02 66.81 3pmg s SER 382 CO 0.09 -1.23 0.93 -0.90 0.98 0.00 0.00 173.24 173.11 3pmg n ASP 383 N -1.52 1.02 0.27 7.02 5.75 -1.13 -3.70 116.55 124.26 3pmg n ASP 383 Ca 0.03 -2.05 0.11 0.00 -0.01 0.00 0.00 54.79 52.87 3pmg n ASP 383 Cb 0.62 -0.25 0.76 0.00 -1.03 0.00 0.00 41.12 41.21 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 0.62 0.00 -1.60 2.11 2.07 -1.95 -3.45 115.15 112.95 3pmg h HIS 384 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3pmg h HIS 384 Cb 0.37 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.35 3pmg h HIS 384 CO 0.11 0.03 0.00 0.44 -3.07 0.00 0.00 177.93 175.44 3pmg n ILE 385 N -4.13 0.00 -2.58 6.12 -5.35 -1.24 -4.96 119.36 107.23 3pmg n ILE 385 Ca -0.03 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.32 3pmg n ILE 385 Cb 0.12 0.00 0.03 0.00 -1.74 0.00 0.00 39.64 38.04 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 0.00 2.10 -3.56 6.28 3.00 -1.26 -4.90 116.66 118.32 3pmg n ARG 386 Ca 0.00 -3.72 -0.13 0.00 -0.01 0.00 0.00 57.85 54.00 3pmg n ARG 386 Cb 0.00 -1.68 -0.04 0.00 0.00 0.00 0.00 32.46 30.74 3pmg n ARG 386 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 3pmg s GLU 387 N -3.42 1.09 0.75 5.56 0.41 -1.26 -3.88 118.70 117.95 3pmg s GLU 387 Ca 0.35 -0.41 -0.11 0.00 -0.41 0.00 0.00 54.97 54.39 3pmg s GLU 387 Cb 0.41 0.49 0.04 0.00 -1.78 0.00 0.00 34.13 33.29 3pmg s GLU 387 CO -0.03 -0.42 1.08 0.15 -0.49 0.00 0.00 175.26 175.54 3pmg s LYS 388 N -3.08 2.50 -0.17 1.61 1.02 -1.26 -4.76 119.74 115.60 3pmg s LYS 388 Ca -0.02 0.92 -0.04 0.00 0.02 0.00 0.00 55.97 56.86 3pmg s LYS 388 Cb -0.00 -1.94 0.08 0.00 -0.52 0.00 0.00 37.83 35.44 3pmg s LYS 388 CO -0.07 -1.40 0.18 0.34 -0.92 0.00 0.00 175.35 173.48 3pmg s ASP 389 N -3.71 1.42 0.03 2.83 -1.08 -0.98 -4.26 116.67 110.92 3pmg s ASP 389 Ca 0.60 -0.16 -0.27 0.00 -0.52 0.00 0.00 52.55 52.19 3pmg s ASP 389 Cb -0.15 0.23 -0.17 0.00 -1.46 0.00 0.00 42.92 41.38 3pmg s ASP 389 CO 0.55 -0.31 1.30 1.23 0.52 0.00 0.00 175.17 178.46 3pmg h GLY 390 N 8.35 -0.71 1.35 2.66 0.00 -0.40 -2.83 103.07 111.48 3pmg h GLY 390 Ca -0.16 0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 3pmg h GLY 390 CO 0.25 -0.26 0.18 -2.00 0.00 0.00 0.00 176.54 174.72 3pmg h LEU 391 N -0.92 0.76 -0.79 3.11 5.85 -1.89 -2.75 115.31 118.69 3pmg h LEU 391 Ca -0.07 -0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.65 3pmg h LEU 391 Cb 0.61 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.36 3pmg h LEU 391 CO 0.11 0.71 0.41 -0.25 -0.34 0.00 0.00 178.44 179.08 3pmg h TRP 392 N 0.81 0.73 0.00 1.25 7.01 -1.91 0.09 115.95 123.92 3pmg h TRP 392 Ca 0.19 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 61.14 3pmg h TRP 392 Cb 0.22 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.06 3pmg h TRP 392 CO 0.01 0.24 -0.35 0.00 -2.79 0.00 0.00 178.44 175.55 3pmg h ALA 393 N 1.48 1.42 -0.12 2.65 0.00 -1.23 0.56 119.26 124.02 3pmg h ALA 393 Ca 0.40 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3pmg h ALA 393 Cb 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3pmg h ALA 393 CO -0.30 0.44 -0.37 0.28 0.00 0.00 0.00 179.25 179.30 3pmg h VAL 394 N 0.00 1.38 -0.02 0.00 2.07 -0.80 -2.01 116.25 116.87 3pmg h VAL 394 Ca -0.00 -1.69 -0.07 0.00 0.82 0.00 0.00 66.70 65.75 3pmg h VAL 394 Cb 0.63 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 3pmg h VAL 394 CO 0.05 0.50 -0.34 -0.07 0.02 0.00 0.00 177.57 177.73 3pmg h LEU 395 N 0.04 0.03 -0.74 2.57 3.38 -0.92 -0.09 115.31 119.58 3pmg h LEU 395 Ca -0.01 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 3pmg h LEU 395 Cb 1.00 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3pmg h LEU 395 CO 0.08 0.37 -0.36 0.00 0.09 0.00 0.00 178.44 178.61 3pmg h ALA 396 N 1.63 0.92 -0.11 1.53 0.00 -0.80 0.08 119.26 122.51 3pmg h ALA 396 Ca 0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 3pmg h ALA 396 Cb 0.61 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3pmg h ALA 396 CO 0.04 0.62 -0.05 -1.49 0.00 0.00 0.00 179.25 178.38 3pmg h TRP 397 N 0.45 0.26 -0.97 0.00 4.06 -0.63 -2.41 115.95 116.72 3pmg h TRP 397 Ca 0.05 -0.06 0.07 0.00 2.06 0.00 0.00 58.89 61.00 3pmg h TRP 397 Cb 0.84 -0.06 -0.07 0.00 -1.00 0.00 0.00 29.16 28.87 3pmg h TRP 397 CO 0.03 0.58 0.62 -0.07 -3.56 0.00 0.00 178.44 176.04 3pmg h LEU 398 N -0.13 0.98 -1.21 -4.49 3.38 -0.95 0.50 115.31 113.39 3pmg h LEU 398 Ca 0.02 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3pmg h LEU 398 Cb 0.51 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3pmg h LEU 398 CO 0.02 0.62 -0.02 0.28 0.09 0.00 0.00 178.44 179.43 3pmg h SER 399 N 1.11 0.49 -0.22 -0.43 0.02 -0.75 0.28 113.55 114.05 3pmg h SER 399 Ca 0.43 -0.10 -0.20 0.00 -0.84 0.00 0.00 61.79 61.08 3pmg h SER 399 Cb 0.20 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 62.61 3pmg h SER 399 CO -0.18 0.57 -0.64 0.40 -1.14 0.00 0.00 176.83 175.85 3pmg h ILE 400 N 0.50 1.28 -0.55 3.27 2.04 -0.93 -0.96 117.51 122.16 3pmg h ILE 400 Ca 0.11 -1.83 -0.08 0.00 1.00 0.00 0.00 64.86 64.05 3pmg h ILE 400 Cb 0.35 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 3pmg h ILE 400 CO 0.01 0.59 0.02 -0.07 0.00 0.00 0.00 178.15 178.70 3pmg h LEU 401 N 0.57 0.93 0.23 1.44 3.38 0.15 0.38 115.31 122.38 3pmg h LEU 401 Ca -0.02 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3pmg h LEU 401 Cb 1.26 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 3pmg h LEU 401 CO 0.14 1.00 -0.12 0.00 0.09 0.00 0.00 178.44 179.54 3pmg h ALA 402 N 0.97 -0.32 0.07 1.53 0.00 -0.89 0.16 119.26 120.78 3pmg h ALA 402 Ca 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3pmg h ALA 402 Cb 0.51 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3pmg h ALA 402 CO 0.02 -0.69 -0.03 1.15 0.00 0.00 0.00 179.25 179.70 3pmg h THR 403 N -0.33 1.02 0.00 0.00 2.02 -1.11 -3.24 112.91 111.27 3pmg h THR 403 Ca -0.03 -0.30 -0.12 0.00 0.77 0.00 0.00 66.41 66.73 3pmg h THR 403 Cb 0.27 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3pmg h THR 403 CO 0.04 0.08 -0.55 0.03 0.37 0.00 0.00 175.52 175.48 3pmg h ARG 404 N -0.23 0.00 -5.09 6.66 2.47 -0.89 -3.48 114.38 113.83 3pmg h ARG 404 Ca -0.01 0.00 -0.40 0.00 -1.26 0.00 0.00 59.98 58.31 3pmg h ARG 404 Cb 0.20 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.53 3pmg h ARG 404 CO 0.02 0.55 -0.61 1.63 0.56 0.00 0.00 179.97 182.12 3pmg n LYS 405 N -3.56 -4.69 -4.23 0.04 4.01 0.56 -5.00 118.16 105.28 3pmg n LYS 405 Ca -0.00 0.73 -0.13 0.00 -0.51 0.00 0.00 58.31 58.39 3pmg n LYS 405 Cb 0.63 -5.56 -0.10 0.00 -0.51 0.00 0.00 35.03 29.49 3pmg n LYS 405 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 3pmg s GLN 406 N -5.95 1.01 0.86 1.97 -0.21 -1.26 -5.11 119.66 110.97 3pmg s GLN 406 Ca 0.39 -1.43 -0.11 0.00 0.02 0.00 0.00 55.36 54.23 3pmg s GLN 406 Cb -0.19 -0.54 0.10 0.00 1.00 0.00 0.00 33.01 33.39 3pmg s GLN 406 CO 0.49 0.06 1.09 -1.54 -2.12 0.00 0.00 175.29 173.27 3pmg s SER 407 N -3.14 3.88 0.20 5.90 1.04 -1.26 -4.80 113.70 115.52 3pmg s SER 407 Ca 0.16 1.43 -0.10 0.00 0.48 0.00 0.00 55.95 57.91 3pmg s SER 407 Cb 0.03 -2.13 0.25 0.00 0.10 0.00 0.00 66.02 64.28 3pmg s SER 407 CO -0.01 -2.37 1.76 0.58 0.98 0.00 0.00 173.24 174.18 3pmg h VAL 408 N -1.37 0.82 -0.61 5.02 2.07 -1.97 -1.27 116.25 118.94 3pmg h VAL 408 Ca -0.48 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 3pmg h VAL 408 Cb 1.28 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3pmg h VAL 408 CO 0.56 0.08 0.15 -0.08 0.02 0.00 0.00 177.57 178.30 3pmg h GLU 409 N 0.44 0.95 -0.06 1.57 4.81 -1.94 -1.79 114.58 118.57 3pmg h GLU 409 Ca 0.29 -0.21 -0.12 0.00 -0.13 0.00 0.00 59.36 59.19 3pmg h GLU 409 Cb 0.32 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3pmg h GLU 409 CO -0.27 0.85 -0.50 -0.44 -0.73 0.00 0.00 179.01 177.92 3pmg h ASP 410 N 0.91 0.17 -0.29 1.04 5.19 -1.80 -0.80 116.42 120.85 3pmg h ASP 410 Ca 0.20 -0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.49 3pmg h ASP 410 Cb 0.33 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 3pmg h ASP 410 CO 0.00 0.65 0.06 0.40 -3.12 0.00 0.00 179.24 177.23 3pmg h ILE 411 N 0.13 1.22 0.03 0.35 2.04 -0.78 -0.03 117.51 120.46 3pmg h ILE 411 Ca 0.00 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 3pmg h ILE 411 Cb 0.93 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 3pmg h ILE 411 CO 0.07 0.25 -0.01 -0.07 0.00 0.00 0.00 178.15 178.39 3pmg h LEU 412 N 0.30 -0.03 -0.86 1.44 3.38 -1.24 0.23 115.31 118.52 3pmg h LEU 412 Ca 0.09 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 57.85 3pmg h LEU 412 Cb 0.31 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 3pmg h LEU 412 CO 0.00 0.28 0.52 0.11 0.09 0.00 0.00 178.44 179.44 3pmg h LYS 413 N -0.34 0.87 -0.75 1.13 1.57 -1.12 0.25 116.57 118.18 3pmg h LYS 413 Ca -0.00 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 3pmg h LYS 413 Cb 0.32 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3pmg h LYS 413 CO 0.01 0.58 0.27 0.22 -0.57 0.00 0.00 179.45 179.95 3pmg h ASP 414 N 0.90 1.06 -0.17 0.86 3.58 -0.75 -1.38 116.42 120.52 3pmg h ASP 414 Ca 0.40 -0.18 -0.02 0.00 0.42 0.00 0.00 57.03 57.65 3pmg h ASP 414 Cb 0.29 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 3pmg h ASP 414 CO -0.21 0.96 0.02 -0.74 -2.88 0.00 0.00 179.24 176.39 3pmg h HIS 415 N 1.10 0.31 -0.83 0.28 2.76 0.29 -2.34 115.15 116.72 3pmg h HIS 415 Ca 0.25 -0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.40 3pmg h HIS 415 Cb 0.26 -0.08 -0.05 0.00 1.55 0.00 0.00 27.41 29.09 3pmg h HIS 415 CO 0.02 0.46 0.53 -1.49 -1.30 0.00 0.00 177.93 176.15 3pmg h TRP 416 N 0.07 1.00 -0.67 5.26 6.55 -1.21 0.36 115.95 127.32 3pmg h TRP 416 Ca 0.05 0.03 -0.05 0.00 0.95 0.00 0.00 58.89 59.87 3pmg h TRP 416 Cb 0.32 -0.33 -0.03 0.00 -0.86 0.00 0.00 29.16 28.25 3pmg h TRP 416 CO 0.02 0.59 0.22 1.25 -1.05 0.00 0.00 178.44 179.47 3pmg h HIS 417 N 1.05 1.07 0.03 0.49 2.76 -1.21 0.23 115.15 119.57 3pmg h HIS 417 Ca 0.32 -0.10 -0.17 0.00 -2.20 0.00 0.00 60.37 58.22 3pmg h HIS 417 Cb -0.02 -0.31 0.01 0.00 1.55 0.00 0.00 27.41 28.64 3pmg h HIS 417 CO -0.02 0.86 -0.66 0.87 -1.30 0.00 0.00 177.93 177.67 3pmg h LYS 418 N 0.97 0.40 0.00 5.26 6.56 -0.97 -3.41 116.57 125.38 3pmg h LYS 418 Ca 0.22 -0.47 0.00 0.00 -1.06 0.00 0.00 60.65 59.34 3pmg h LYS 418 Cb 0.28 0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 3pmg h LYS 418 CO -0.01 1.14 -1.17 1.19 -2.06 0.00 0.00 179.45 178.54 3pmg n PHE 419 N -4.18 0.00 0.00 -1.35 3.72 0.08 -5.11 117.46 110.61 3pmg n PHE 419 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 3pmg n PHE 419 Cb 0.71 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 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 1.43 0.06 3.72 1.37 0.00 0.82 -4.99 105.19 107.61 3pmg n GLY 420 Ca 0.01 -1.70 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 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 -3.00 3.89 -0.77 1.61 3.52 0.00 -4.44 118.95 119.76 3pmg s ARG 421 Ca 0.00 -0.26 -0.13 0.00 -0.13 0.00 0.00 55.73 55.21 3pmg s ARG 421 Cb 0.00 -3.26 0.20 0.00 -1.56 0.00 0.00 34.95 30.33 3pmg s ARG 421 CO 0.00 0.41 0.70 -0.80 -0.81 0.00 0.00 175.30 174.80 3pmg s ASN 422 N 0.01 6.54 0.31 -2.12 -0.87 -1.26 -0.68 114.94 116.87 3pmg s ASN 422 Ca 0.08 -2.59 -0.29 0.00 -1.57 0.00 0.00 52.86 48.49 3pmg s ASN 422 Cb -0.12 -2.17 -0.11 0.00 -0.02 0.00 0.00 41.25 38.83 3pmg s ASN 422 CO 0.00 -0.59 1.47 -0.36 -2.57 0.00 0.00 177.10 175.05 3pmg s PHE 423 N 0.33 2.82 -0.04 2.20 0.08 -0.60 -4.84 117.98 117.93 3pmg s PHE 423 Ca 0.16 1.07 -0.08 0.00 0.12 0.00 0.00 56.93 58.20 3pmg s PHE 423 Cb -0.14 -3.93 0.01 0.00 -0.57 0.00 0.00 43.02 38.40 3pmg s PHE 423 CO -0.07 -2.87 0.19 0.12 -0.10 0.00 0.00 175.22 172.49 3pmg s PHE 424 N -0.55 -0.12 0.03 0.36 2.19 -1.26 -1.65 117.98 116.98 3pmg s PHE 424 Ca 0.56 0.26 -0.14 0.00 0.33 0.00 0.00 56.93 57.95 3pmg s PHE 424 Cb -0.45 0.03 0.02 0.00 -1.31 0.00 0.00 43.02 41.31 3pmg s PHE 424 CO 0.52 -0.21 0.29 -0.08 1.83 0.00 0.00 175.22 177.58 3pmg s THR 425 N -0.62 0.08 -0.18 0.12 -1.32 -0.55 -5.00 115.64 108.16 3pmg s THR 425 Ca -0.07 -0.64 0.01 0.00 -1.21 0.00 0.00 61.69 59.77 3pmg s THR 425 Cb -0.04 -0.84 0.04 0.00 -1.51 0.00 0.00 72.50 70.14 3pmg s THR 425 CO 0.01 -0.35 -0.11 -0.60 -2.21 0.00 0.00 174.62 171.36 3pmg s ARG 426 N -2.20 2.01 -0.31 7.08 3.52 0.16 -1.15 118.95 128.06 3pmg s ARG 426 Ca -0.07 -0.71 -0.15 0.00 -0.13 0.00 0.00 55.73 54.67 3pmg s ARG 426 Cb -0.02 -2.27 -0.03 0.00 -1.56 0.00 0.00 34.95 31.08 3pmg s ARG 426 CO -0.01 -0.38 0.35 0.71 -0.81 0.00 0.00 175.30 175.16 3pmg s TYR 427 N 1.46 3.22 -0.23 5.12 1.51 0.67 -1.34 117.35 127.76 3pmg s TYR 427 Ca 0.01 0.16 -0.05 0.00 -1.01 0.00 0.00 57.07 56.17 3pmg s TYR 427 Cb -0.15 -2.60 -0.02 0.00 -0.11 0.00 0.00 41.96 39.08 3pmg s TYR 427 CO -0.09 -0.32 0.01 -0.51 -1.11 0.00 0.00 175.55 173.53 3pmg s ASP 428 N 1.70 4.73 -0.41 2.29 1.01 -0.82 -0.39 116.67 124.79 3pmg s ASP 428 Ca 0.12 -0.29 -0.12 0.00 0.71 0.00 0.00 52.55 52.97 3pmg s ASP 428 Cb -0.16 -1.83 0.04 0.00 1.01 0.00 0.00 42.92 41.98 3pmg s ASP 428 CO 0.11 -0.01 0.28 -0.31 0.21 0.00 0.00 175.17 175.44 3pmg s TYR 429 N 1.47 3.26 -0.05 4.23 1.51 0.05 0.97 117.35 128.80 3pmg s TYR 429 Ca 0.05 -0.97 -0.11 0.00 -1.01 0.00 0.00 57.07 55.03 3pmg s TYR 429 Cb -0.15 -2.71 -0.31 0.00 -0.11 0.00 0.00 41.96 38.69 3pmg s TYR 429 CO 0.00 -0.70 0.66 0.93 -1.11 0.00 0.00 175.55 175.33 3pmg h GLU 430 N 8.54 0.40 -2.20 -0.62 3.07 -1.85 -1.93 114.58 119.99 3pmg h GLU 430 Ca -0.26 -0.68 -0.60 0.00 -0.50 0.00 0.00 59.36 57.33 3pmg h GLU 430 Cb 1.10 0.25 -0.42 0.00 -0.84 0.00 0.00 28.75 28.85 3pmg h GLU 430 CO 0.74 1.32 -0.62 0.39 -1.40 0.00 0.00 179.01 179.44 3pmg n GLU 431 N -3.59 2.58 -2.22 2.33 -0.58 -1.26 -4.43 120.64 113.47 3pmg n GLU 431 Ca -0.25 -4.65 -0.40 0.00 -0.42 0.00 0.00 57.16 51.44 3pmg n GLU 431 Cb 1.08 -2.22 -0.02 0.00 -0.57 0.00 0.00 31.44 29.71 3pmg n GLU 431 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3pmg s VAL 432 N -2.76 2.95 0.15 2.62 1.01 0.29 -4.71 120.40 119.95 3pmg s VAL 432 Ca 0.41 0.91 -0.31 0.00 0.00 0.00 0.00 61.98 62.99 3pmg s VAL 432 Cb 0.17 -3.56 -0.08 0.00 0.00 0.00 0.00 36.38 32.91 3pmg s VAL 432 CO -0.03 0.18 1.36 -1.83 0.00 0.00 0.00 175.10 174.77 3pmg s GLU 433 N -1.89 4.35 0.47 2.72 4.04 -1.26 -0.78 118.70 126.35 3pmg s GLU 433 Ca 0.51 2.07 0.17 0.00 0.04 0.00 0.00 54.97 57.76 3pmg s GLU 433 Cb -0.36 -3.22 1.16 0.00 0.02 0.00 0.00 34.13 31.73 3pmg s GLU 433 CO 0.47 -0.36 2.02 0.00 -1.84 0.00 0.00 175.26 175.55 3pmg h ALA 434 N 6.15 2.13 -0.38 -0.84 0.00 -1.58 -2.27 119.26 122.48 3pmg h ALA 434 Ca -0.43 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.31 3pmg h ALA 434 Cb 1.21 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3pmg h ALA 434 CO 0.82 -0.25 -0.38 1.49 0.00 0.00 0.00 179.25 180.93 3pmg h GLU 435 N 0.23 0.91 -0.40 0.00 4.81 -1.91 -2.11 114.58 116.12 3pmg h GLU 435 Ca 0.22 -0.48 -0.07 0.00 -0.13 0.00 0.00 59.36 58.90 3pmg h GLU 435 Cb 0.55 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3pmg h GLU 435 CO -0.04 1.13 -0.03 0.78 -0.73 0.00 0.00 179.01 180.12 3pmg h GLY 436 N 0.80 0.78 1.09 1.92 0.00 -1.78 -2.14 103.07 103.74 3pmg h GLY 436 Ca 0.06 -0.59 -0.10 0.00 0.00 0.00 0.00 47.33 46.70 3pmg h GLY 436 CO 0.09 0.54 -0.04 0.00 0.00 0.00 0.00 176.54 177.13 3pmg h ALA 437 N 0.87 0.79 -0.28 3.60 0.00 -1.40 -1.44 119.26 121.40 3pmg h ALA 437 Ca 0.11 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 3pmg h ALA 437 Cb 0.52 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3pmg h ALA 437 CO 0.03 0.67 -0.39 1.15 0.00 0.00 0.00 179.25 180.70 3pmg h THR 438 N 0.95 1.29 -0.64 0.00 2.02 -1.36 -2.61 112.91 112.57 3pmg h THR 438 Ca 0.16 -1.56 -0.09 0.00 0.77 0.00 0.00 66.41 65.70 3pmg h THR 438 Cb 0.61 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 3pmg h THR 438 CO 0.04 0.50 0.05 0.50 0.37 0.00 0.00 175.52 176.98 3pmg h LYS 439 N 0.54 1.09 -0.74 6.66 3.64 -1.32 0.81 116.57 127.25 3pmg h LYS 439 Ca 0.05 -0.32 0.02 0.00 -1.27 0.00 0.00 60.65 59.13 3pmg h LYS 439 Cb 0.91 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.58 3pmg h LYS 439 CO 0.08 1.03 0.47 1.98 -2.27 0.00 0.00 179.45 180.74 3pmg h MET 440 N 1.00 0.91 -0.13 1.90 4.05 -1.09 -0.86 114.93 120.71 3pmg h MET 440 Ca 0.19 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.45 3pmg h MET 440 Cb 0.50 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 31.10 3pmg h MET 440 CO 0.02 0.60 -0.32 0.52 0.23 0.00 0.00 176.91 177.96 3pmg h MET 441 N 0.94 0.45 -0.54 0.39 2.86 -1.11 -2.17 114.93 115.75 3pmg h MET 441 Ca 0.29 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3pmg h MET 441 Cb -0.03 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 3pmg h MET 441 CO -0.09 0.92 0.29 0.87 1.06 0.00 0.00 176.91 179.96 3pmg h LYS 442 N 0.05 0.76 -0.23 1.72 1.57 -0.73 -0.59 116.57 119.12 3pmg h LYS 442 Ca -0.00 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 3pmg h LYS 442 Cb 0.93 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 3pmg h LYS 442 CO 0.07 0.59 -0.11 -0.44 -0.57 0.00 0.00 179.45 178.99 3pmg h ASP 443 N 0.73 0.49 -0.78 0.86 5.19 -1.24 -0.56 116.42 121.11 3pmg h ASP 443 Ca 0.19 -0.41 -0.05 0.00 -0.62 0.00 0.00 57.03 56.15 3pmg h ASP 443 Cb 0.05 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.39 3pmg h ASP 443 CO -0.03 0.79 0.30 0.25 -3.12 0.00 0.00 179.24 177.44 3pmg h LEU 444 N 0.19 1.08 -0.52 1.55 5.85 -1.27 -1.13 115.31 121.05 3pmg h LEU 444 Ca 0.05 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 3pmg h LEU 444 Cb 0.60 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3pmg h LEU 444 CO 0.03 0.97 0.08 -0.08 -0.34 0.00 0.00 178.44 179.10 3pmg h GLU 445 N 1.14 0.87 -0.93 1.25 4.81 -1.08 0.13 114.58 120.77 3pmg h GLU 445 Ca 0.26 -0.24 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3pmg h GLU 445 Cb 0.23 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.46 3pmg h GLU 445 CO -0.02 0.86 0.61 0.00 -0.73 0.00 0.00 179.01 179.73 3pmg h ALA 446 N 0.98 1.37 -0.19 2.92 0.00 -0.52 -0.02 119.26 123.80 3pmg h ALA 446 Ca 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3pmg h ALA 446 Cb 0.41 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3pmg h ALA 446 CO 0.01 0.57 0.06 1.25 0.00 0.00 0.00 179.25 181.14 3pmg h LEU 447 N 1.22 0.28 -1.53 0.00 6.46 -0.98 -2.90 115.31 117.86 3pmg h LEU 447 Ca 0.35 -0.21 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 3pmg h LEU 447 Cb -0.08 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 39.76 3pmg h LEU 447 CO -0.09 0.41 0.24 0.24 -0.62 0.00 0.00 178.44 178.63 3pmg h MET 448 N 0.13 0.56 -0.03 1.25 2.86 0.44 -2.18 114.93 117.96 3pmg h MET 448 Ca 0.06 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3pmg h MET 448 Cb 0.23 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3pmg h MET 448 CO -0.00 0.40 0.00 1.19 1.06 0.00 0.00 176.91 179.56 3pmg n PHE 449 N -4.44 0.03 -2.03 -0.22 3.72 -0.14 -4.71 117.46 109.68 3pmg n PHE 449 Ca 0.03 -0.02 -0.40 0.00 -0.05 0.00 0.00 57.45 57.01 3pmg n PHE 449 Cb 0.08 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.61 3pmg n PHE 449 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3pmg s ASP 450 N -1.74 6.47 0.09 4.37 2.15 -0.82 -4.88 116.67 122.31 3pmg s ASP 450 Ca 0.35 2.74 0.06 0.00 0.43 0.00 0.00 52.55 56.13 3pmg s ASP 450 Cb 0.17 -2.65 0.31 0.00 -0.30 0.00 0.00 42.92 40.45 3pmg s ASP 450 CO 0.28 -0.75 1.14 -2.11 -0.17 0.00 0.00 175.17 173.55 3pmg n ARG 451 N 0.41 0.04 -0.19 4.34 0.00 -1.26 -2.04 116.66 117.96 3pmg n ARG 451 Ca 0.02 0.51 0.06 0.00 -0.00 0.00 0.00 57.85 58.43 3pmg n ARG 451 Cb 0.42 -1.67 0.15 0.00 -0.00 0.00 0.00 32.46 31.36 3pmg n ARG 451 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3pmg n SER 452 N -1.67 2.89 -0.03 2.89 3.41 -1.26 -4.69 113.62 115.15 3pmg n SER 452 Ca -0.00 -2.47 -0.13 0.00 -0.26 0.00 0.00 58.87 56.01 3pmg n SER 452 Cb 0.06 -0.30 -0.08 0.00 -0.26 0.00 0.00 64.21 63.62 3pmg n SER 452 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3pmg h PHE 453 N 1.16 0.18 -2.68 7.33 3.57 -1.69 -3.38 116.94 121.43 3pmg h PHE 453 Ca 0.00 -0.05 -0.53 0.00 3.53 0.00 0.00 57.97 60.92 3pmg h PHE 453 Cb 0.92 -0.04 0.04 0.00 2.79 0.00 0.00 35.95 39.66 3pmg h PHE 453 CO 0.21 0.56 1.00 0.08 -2.23 0.00 0.00 178.31 177.93 3pmg s VAL 454 N -4.41 2.70 0.00 1.41 1.01 -1.26 -0.50 120.40 119.35 3pmg s VAL 454 Ca -0.15 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.15 3pmg s VAL 454 Cb 0.03 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.21 3pmg s VAL 454 CO 0.71 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.42 3pmg n GLY 455 N 3.99 1.81 3.75 4.51 0.00 -0.35 -5.03 105.19 113.88 3pmg n GLY 455 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3pmg n GLY 455 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3pmg n LYS 456 N -0.22 2.55 -4.51 1.61 4.81 0.35 -4.54 118.16 118.21 3pmg n LYS 456 Ca 0.00 0.90 -0.31 0.00 -0.87 0.00 0.00 58.31 58.03 3pmg n LYS 456 Cb 0.00 -2.60 -0.12 0.00 0.02 0.00 0.00 35.03 32.33 3pmg n LYS 456 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3pmg s GLN 457 N -1.90 2.12 0.01 1.64 -0.21 -1.26 -0.89 119.66 119.17 3pmg s GLN 457 Ca 0.55 -0.97 0.02 0.00 0.02 0.00 0.00 55.36 54.97 3pmg s GLN 457 Cb -0.50 -2.25 -0.01 0.00 1.00 0.00 0.00 33.01 31.25 3pmg s GLN 457 CO 0.62 0.54 -0.07 -0.06 -2.12 0.00 0.00 175.29 174.20 3pmg s PHE 458 N -1.01 0.60 0.13 0.91 0.08 -0.34 -4.97 117.98 113.38 3pmg s PHE 458 Ca 0.16 -0.23 -0.07 0.00 0.12 0.00 0.00 56.93 56.91 3pmg s PHE 458 Cb -0.11 -0.37 -0.01 0.00 -0.57 0.00 0.00 43.02 41.96 3pmg s PHE 458 CO 0.08 -0.03 0.19 -1.54 -0.10 0.00 0.00 175.22 173.82 3pmg s SER 459 N -0.63 0.15 0.00 1.36 1.04 -1.26 0.34 113.70 114.69 3pmg s SER 459 Ca -0.02 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.55 3pmg s SER 459 Cb -0.05 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.44 3pmg s SER 459 CO 0.00 -0.79 0.58 0.00 0.98 0.00 0.00 173.24 174.01 3pmg n ALA 460 N -0.12 2.16 0.00 5.32 0.00 -1.26 -4.96 120.51 121.65 3pmg n ALA 460 Ca -0.10 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3pmg n ALA 460 Cb 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3pmg n ALA 460 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3pmg n ASN 461 N 0.00 0.00 -0.05 0.00 2.85 -1.26 -4.82 115.26 111.98 3pmg n ASN 461 Ca -0.02 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.37 3pmg n ASN 461 Cb 0.53 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.49 3pmg n ASN 461 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 3pmg h ASP 462 N 0.00 -0.01 -3.98 1.20 3.58 -2.02 -3.47 116.42 111.71 3pmg h ASP 462 Ca 0.00 -0.50 -0.49 0.00 0.42 0.00 0.00 57.03 56.46 3pmg h ASP 462 Cb 0.00 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.08 3pmg h ASP 462 CO 0.00 0.73 0.43 -0.75 -2.88 0.00 0.00 179.24 176.77 3pmg s LYS 463 N -1.99 4.03 -0.05 0.28 2.20 -1.26 -5.06 119.74 117.90 3pmg s LYS 463 Ca -0.10 1.58 0.00 0.00 -0.36 0.00 0.00 55.97 57.10 3pmg s LYS 463 Cb -0.01 -2.48 -0.03 0.00 -1.51 0.00 0.00 37.83 33.79 3pmg s LYS 463 CO 0.36 -0.27 -0.03 0.08 -0.36 0.00 0.00 175.35 175.13 3pmg s VAL 464 N -1.64 4.00 -0.16 4.02 1.01 -1.26 -4.05 120.40 122.32 3pmg s VAL 464 Ca 0.60 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 3pmg s VAL 464 Cb -0.24 -2.70 -0.00 0.00 0.00 0.00 0.00 36.38 33.44 3pmg s VAL 464 CO 0.29 0.52 -0.14 -0.31 0.00 0.00 0.00 175.10 175.47 3pmg s TYR 465 N -0.93 2.81 -0.20 5.22 2.02 0.15 -4.94 117.35 121.49 3pmg s TYR 465 Ca 0.15 -1.01 -0.04 0.00 -0.37 0.00 0.00 57.07 55.81 3pmg s TYR 465 Cb -0.11 -1.91 -0.01 0.00 -0.40 0.00 0.00 41.96 39.52 3pmg s TYR 465 CO 0.05 -0.47 -0.04 0.99 -1.57 0.00 0.00 175.55 174.51 3pmg s THR 466 N 0.87 3.48 -0.03 -0.71 2.01 -1.26 -1.20 115.64 118.80 3pmg s THR 466 Ca -0.04 -0.47 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 3pmg s THR 466 Cb -0.15 -2.57 -0.06 0.00 0.01 0.00 0.00 72.50 69.73 3pmg s THR 466 CO -0.01 0.44 1.66 -0.69 -0.69 0.00 0.00 174.62 175.33 3pmg s VAL 467 N 1.22 3.48 -0.23 3.82 1.01 -0.07 -0.72 120.40 128.90 3pmg s VAL 467 Ca 0.03 0.65 0.06 0.00 0.00 0.00 0.00 61.98 62.72 3pmg s VAL 467 Cb -0.14 -3.42 -0.18 0.00 0.00 0.00 0.00 36.38 32.63 3pmg s VAL 467 CO -0.01 -0.05 -0.14 1.21 0.00 0.00 0.00 175.10 176.11 3pmg n GLU 468 N 6.85 0.68 -3.72 2.72 2.13 0.69 -1.21 120.64 128.78 3pmg n GLU 468 Ca 0.17 0.10 -0.14 0.00 0.66 0.00 0.00 57.16 57.95 3pmg n GLU 468 Cb 0.42 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 30.54 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 -2.49 0.58 -0.08 5.31 2.20 -0.80 -4.86 119.74 119.60 3pmg s LYS 469 Ca -0.27 0.33 -0.03 0.00 -0.36 0.00 0.00 55.97 55.64 3pmg s LYS 469 Cb 0.08 0.28 0.04 0.00 -1.51 0.00 0.00 37.83 36.72 3pmg s LYS 469 CO 0.64 -0.12 0.15 0.00 -0.36 0.00 0.00 175.35 175.66 3pmg s ALA 470 N -0.35 -0.20 0.26 3.13 0.00 -1.26 -0.77 121.76 122.57 3pmg s ALA 470 Ca -0.05 0.61 -0.08 0.00 0.00 0.00 0.00 51.96 52.44 3pmg s ALA 470 Cb -0.03 -0.66 0.03 0.00 0.00 0.00 0.00 23.12 22.46 3pmg s ALA 470 CO 0.02 -0.39 0.49 -0.40 0.00 0.00 0.00 175.76 175.48 3pmg n ASP 471 N 4.85 -1.41 -4.05 0.00 5.75 -0.42 -4.88 116.55 116.38 3pmg n ASP 471 Ca -0.14 -2.11 -0.32 0.00 -0.01 0.00 0.00 54.79 52.21 3pmg n ASP 471 Cb 0.51 2.39 -0.15 0.00 -1.03 0.00 0.00 41.12 42.84 3pmg n ASP 471 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3pmg s ASN 472 N -2.40 4.73 0.10 -1.12 3.84 -1.26 -1.18 114.94 117.65 3pmg s ASN 472 Ca 0.12 -1.87 -0.36 0.00 0.21 0.00 0.00 52.86 50.96 3pmg s ASN 472 Cb -0.03 -1.63 -0.16 0.00 -0.55 0.00 0.00 41.25 38.88 3pmg s ASN 472 CO 0.09 -0.33 1.35 0.33 -2.79 0.00 0.00 177.10 175.75 3pmg n PHE 473 N 4.36 1.57 -4.54 0.43 7.35 0.11 -4.54 117.46 122.20 3pmg n PHE 473 Ca -0.03 0.61 -0.21 0.00 -0.76 0.00 0.00 57.45 57.06 3pmg n PHE 473 Cb 0.42 -2.35 -0.15 0.00 0.35 0.00 0.00 39.48 37.75 3pmg n PHE 473 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 3pmg s GLU 474 N 0.48 1.00 -0.08 -4.13 2.12 -1.26 -1.39 118.70 115.44 3pmg s GLU 474 Ca 0.83 -0.47 0.05 0.00 0.36 0.00 0.00 54.97 55.74 3pmg s GLU 474 Cb -0.92 -0.97 -0.00 0.00 0.26 0.00 0.00 34.13 32.49 3pmg s GLU 474 CO 0.46 0.26 -0.24 -0.47 -0.54 0.00 0.00 175.26 174.74 3pmg s TYR 475 N -0.35 2.42 -0.37 5.30 5.04 0.86 -4.98 117.35 125.27 3pmg s TYR 475 Ca 0.04 -0.86 -0.04 0.00 -2.44 0.00 0.00 57.07 53.78 3pmg s TYR 475 Cb -0.05 -1.61 0.08 0.00 0.35 0.00 0.00 41.96 40.74 3pmg s TYR 475 CO -0.00 -0.31 0.15 -1.01 -1.34 0.00 0.00 175.55 173.03 3pmg s HIS 476 N 0.12 3.44 -0.09 4.97 3.76 -1.26 0.04 115.29 126.27 3pmg s HIS 476 Ca -0.11 -2.06 -0.29 0.00 -0.15 0.00 0.00 55.06 52.45 3pmg s HIS 476 Cb -0.16 -2.80 -0.06 0.00 1.11 0.00 0.00 32.58 30.67 3pmg s HIS 476 CO 0.06 -0.89 1.87 0.34 -0.85 0.00 0.00 174.74 175.27 3pmg s ASP 477 N 1.67 6.29 0.49 1.40 -1.08 -0.15 -4.89 116.67 120.41 3pmg s ASP 477 Ca 0.03 2.19 0.33 0.00 -0.52 0.00 0.00 52.55 54.58 3pmg s ASP 477 Cb -0.22 -2.53 1.61 0.00 -1.46 0.00 0.00 42.92 40.33 3pmg s ASP 477 CO -0.02 -1.24 2.00 1.55 0.52 0.00 0.00 175.17 177.98 3pmg h PRO 478 N 11.24 0.00 0.00 4.34 0.13 -1.92 -2.78 132.00 143.02 3pmg h PRO 478 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3pmg h PRO 478 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3pmg h PRO 478 CO 0.96 0.00 -0.32 0.28 -0.23 0.00 0.00 178.00 178.69 3pmg n VAL 479 N -2.78 0.56 1.58 1.56 0.31 -1.26 -4.67 118.33 113.64 3pmg n VAL 479 Ca -0.01 0.37 0.10 0.00 -0.01 0.00 0.00 64.34 64.80 3pmg n VAL 479 Cb 0.17 -1.83 0.46 0.00 -0.91 0.00 0.00 33.84 31.72 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 -3.22 0.90 0.00 4.52 5.75 -1.26 -4.94 116.55 118.30 3pmg n ASP 480 Ca -0.05 -1.57 0.00 0.00 -0.01 0.00 0.00 54.79 53.16 3pmg n ASP 480 Cb 0.17 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 3pmg n ASP 480 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3pmg n GLY 481 N 0.98 2.61 3.35 6.12 0.00 -1.05 -5.00 105.19 112.20 3pmg n GLY 481 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3pmg n GLY 481 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3pmg n SER 482 N 0.79 -2.40 -4.09 1.61 3.41 -1.26 -4.46 113.62 107.22 3pmg n SER 482 Ca 0.00 0.67 -0.32 0.00 -0.26 0.00 0.00 58.87 58.96 3pmg n SER 482 Cb 0.00 -1.01 -0.16 0.00 -0.26 0.00 0.00 64.21 62.78 3pmg n SER 482 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3pmg s VAL 483 N -1.87 2.03 -0.30 -3.33 1.01 -1.26 -0.98 120.40 115.70 3pmg s VAL 483 Ca 0.62 -1.14 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 3pmg s VAL 483 Cb -0.46 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 3pmg s VAL 483 CO 0.61 0.32 0.16 -0.44 0.00 0.00 0.00 175.10 175.75 3pmg s SER 484 N 1.25 5.65 0.44 3.32 0.01 0.11 -4.97 113.70 119.50 3pmg s SER 484 Ca 0.00 -0.32 0.06 0.00 1.31 0.00 0.00 55.95 57.00 3pmg s SER 484 Cb -0.15 -2.03 -0.05 0.00 0.21 0.00 0.00 66.02 64.00 3pmg s SER 484 CO -0.10 -0.13 0.14 -0.54 0.41 0.00 0.00 173.24 173.02 3pmg s LYS 485 N 1.66 2.17 -1.37 12.44 1.02 -1.26 -0.10 119.74 134.31 3pmg s LYS 485 Ca 0.06 -1.98 -0.07 0.00 0.02 0.00 0.00 55.97 54.00 3pmg s LYS 485 Cb -0.16 -1.87 0.03 0.00 -0.52 0.00 0.00 37.83 35.30 3pmg s LYS 485 CO 0.07 -0.18 1.02 -1.71 -0.92 0.00 0.00 175.35 173.64 3pmg n ASN 486 N -1.23 -4.31 -0.18 2.83 5.15 -0.97 -4.91 115.26 111.63 3pmg n ASN 486 Ca -0.04 -0.66 0.13 0.00 -0.60 0.00 0.00 54.58 53.40 3pmg n ASN 486 Cb 0.65 -4.59 0.36 0.00 -0.53 0.00 0.00 39.78 35.67 3pmg n ASN 486 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3pmg n GLN 487 N -4.64 0.64 0.00 1.20 1.13 -0.48 -4.97 117.38 110.25 3pmg n GLN 487 Ca -0.09 -0.37 0.00 0.00 -1.94 0.00 0.00 57.00 54.60 3pmg n GLN 487 Cb 0.59 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.45 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 1.38 4.52 3.76 1.08 0.00 -1.26 -4.84 105.19 109.82 3pmg n GLY 488 Ca 0.11 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 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 4.38 -0.08 0.99 1.43 -0.56 0.06 118.68 124.91 3pmg s LEU 489 Ca 0.00 1.02 0.02 0.00 -1.03 0.00 0.00 54.13 54.14 3pmg s LEU 489 Cb 0.00 -2.80 0.01 0.00 0.03 0.00 0.00 46.19 43.43 3pmg s LEU 489 CO 0.00 0.10 -0.13 -0.13 0.23 0.00 0.00 176.35 176.42 3pmg s ARG 490 N -0.05 1.79 -0.30 1.70 0.52 -0.33 -0.44 118.95 121.84 3pmg s ARG 490 Ca 0.28 -0.43 -0.05 0.00 -0.52 0.00 0.00 55.73 55.01 3pmg s ARG 490 Cb -0.17 -1.51 0.03 0.00 0.52 0.00 0.00 34.95 33.82 3pmg s ARG 490 CO 0.14 -0.00 0.06 -0.51 0.02 0.00 0.00 175.30 175.01 3pmg s LEU 491 N 0.78 3.91 -0.23 2.53 1.02 -0.80 -1.30 118.68 124.58 3pmg s LEU 491 Ca -0.12 -0.94 -0.05 0.00 0.02 0.00 0.00 54.13 53.04 3pmg s LEU 491 Cb -0.16 -1.82 -0.01 0.00 0.02 0.00 0.00 46.19 44.22 3pmg s LEU 491 CO 0.02 -0.24 -0.01 -0.63 0.02 0.00 0.00 176.35 175.52 3pmg s ILE 492 N 1.41 3.64 0.08 -0.59 1.01 0.05 -1.53 121.20 125.27 3pmg s ILE 492 Ca -0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 3pmg s ILE 492 Cb -0.18 -2.69 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 3pmg s ILE 492 CO 0.01 0.38 0.36 -0.36 0.00 0.00 0.00 174.94 175.33 3pmg s PHE 493 N 1.51 3.55 0.63 3.97 0.08 -0.71 -0.22 117.98 126.79 3pmg s PHE 493 Ca 0.06 0.66 0.30 0.00 0.12 0.00 0.00 56.93 58.06 3pmg s PHE 493 Cb -0.15 -2.07 1.61 0.00 -0.57 0.00 0.00 43.02 41.85 3pmg s PHE 493 CO -0.01 0.51 1.95 0.00 -0.10 0.00 0.00 175.22 177.57 3pmg h ALA 494 N 3.48 1.62 -0.00 5.36 0.00 -1.24 -1.96 119.26 126.53 3pmg h ALA 494 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3pmg h ALA 494 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3pmg h ALA 494 CO 0.68 -0.43 -0.10 -0.40 0.00 0.00 0.00 179.25 179.01 3pmg n ASP 495 N -3.24 0.28 0.00 0.00 5.75 -1.26 -4.89 116.55 113.18 3pmg n ASP 495 Ca 0.01 -0.27 0.00 0.00 -0.01 0.00 0.00 54.79 54.52 3pmg n ASP 495 Cb 0.45 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 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 1.33 0.67 3.89 6.12 0.00 -0.74 -4.84 105.19 111.62 3pmg n GLY 496 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.88 6.27 -0.00 1.61 0.01 -1.25 -4.41 113.70 114.04 3pmg s SER 497 Ca 0.00 1.17 -0.20 0.00 1.31 0.00 0.00 55.95 58.23 3pmg s SER 497 Cb 0.00 -2.36 0.04 0.00 0.21 0.00 0.00 66.02 63.91 3pmg s SER 497 CO 0.00 -0.70 0.44 -0.13 0.41 0.00 0.00 173.24 173.25 3pmg s ARG 498 N -4.89 0.85 -0.06 12.44 0.52 0.10 -1.73 118.95 126.18 3pmg s ARG 498 Ca 0.51 -0.14 0.05 0.00 -0.52 0.00 0.00 55.73 55.63 3pmg s ARG 498 Cb -0.11 0.38 -0.00 0.00 0.52 0.00 0.00 34.95 35.75 3pmg s ARG 498 CO 0.48 -0.26 -0.19 0.42 0.02 0.00 0.00 175.30 175.76 3pmg s ILE 499 N -1.68 1.63 -0.01 1.52 1.01 -0.58 -1.73 121.20 121.36 3pmg s ILE 499 Ca -0.10 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 59.77 3pmg s ILE 499 Cb -0.02 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 41.04 3pmg s ILE 499 CO 0.03 0.46 -0.12 -0.63 0.00 0.00 0.00 174.94 174.69 3pmg s ILE 500 N 0.08 0.97 -0.09 2.92 1.09 0.02 -1.90 121.20 124.28 3pmg s ILE 500 Ca -0.06 -0.52 0.03 0.00 -1.10 0.00 0.00 60.65 58.99 3pmg s ILE 500 Cb -0.13 -0.81 0.01 0.00 -1.06 0.00 0.00 42.46 40.47 3pmg s ILE 500 CO 0.03 0.27 -0.17 -0.36 -0.10 0.00 0.00 174.94 174.62 3pmg s PHE 501 N -0.27 2.01 -0.02 3.97 0.08 0.41 -1.37 117.98 122.80 3pmg s PHE 501 Ca 0.04 -0.86 0.03 0.00 0.12 0.00 0.00 56.93 56.27 3pmg s PHE 501 Cb -0.05 -1.41 -0.00 0.00 -0.57 0.00 0.00 43.02 40.99 3pmg s PHE 501 CO -0.00 -0.40 -0.10 1.03 -0.10 0.00 0.00 175.22 175.65 3pmg s ARG 502 N 0.69 0.92 -0.68 0.44 0.52 -0.68 -1.49 118.95 118.66 3pmg s ARG 502 Ca -0.13 -0.34 -0.10 0.00 -0.52 0.00 0.00 55.73 54.64 3pmg s ARG 502 Cb -0.16 -0.87 0.18 0.00 0.52 0.00 0.00 34.95 34.61 3pmg s ARG 502 CO 0.03 0.17 0.57 -1.17 0.02 0.00 0.00 175.30 174.92 3pmg s LEU 503 N -0.01 6.06 -0.02 2.53 2.96 -1.26 -1.04 118.68 127.91 3pmg s LEU 503 Ca 0.00 -2.55 -0.09 0.00 -0.22 0.00 0.00 54.13 51.28 3pmg s LEU 503 Cb -0.06 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 3pmg s LEU 503 CO 0.00 -0.55 0.56 0.77 -1.32 0.00 0.00 176.35 175.81 3pmg h SER 504 N 7.73 -0.26 -2.23 3.68 4.64 -1.49 -3.35 113.55 122.28 3pmg h SER 504 Ca -0.01 0.01 -0.52 0.00 -0.47 0.00 0.00 61.79 60.79 3pmg h SER 504 Cb 1.02 0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 63.13 3pmg h SER 504 CO 0.78 -0.04 1.24 -0.83 -0.87 0.00 0.00 176.83 177.11 3pmg s GLY 505 N -2.26 0.50 -0.02 -0.77 0.00 -1.15 -4.71 107.32 98.91 3pmg s GLY 505 Ca -0.05 -0.81 0.14 0.00 0.00 0.00 0.00 44.72 44.00 3pmg s GLY 505 CO 0.14 3.12 0.68 2.41 0.00 0.00 0.00 173.10 179.45 3pmg n THR 506 N 6.95 1.50 -3.28 0.90 -1.04 -1.26 -1.21 114.28 116.85 3pmg n THR 506 Ca 0.15 -0.77 0.03 0.00 -2.04 0.00 0.00 64.05 61.41 3pmg n THR 506 Cb 0.51 -0.95 -0.03 0.00 -1.82 0.00 0.00 70.33 68.03 3pmg n THR 506 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3pmg s GLY 507 N -5.04 -0.10 0.11 3.41 0.00 -1.26 -4.90 107.32 99.53 3pmg s GLY 507 Ca -0.04 3.15 -0.12 0.00 0.00 0.00 0.00 44.72 47.70 3pmg s GLY 507 CO 0.82 3.42 0.58 -1.26 0.00 0.00 0.00 173.10 176.67 3pmg n SER 508 N 4.99 -1.02 -0.35 1.64 2.88 -1.26 -5.01 113.62 115.48 3pmg n SER 508 Ca -0.08 -1.55 0.10 0.00 -1.33 0.00 0.00 58.87 56.02 3pmg n SER 508 Cb 0.54 1.65 0.29 0.00 -0.75 0.00 0.00 64.21 65.94 3pmg n SER 508 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3pmg h ALA 509 N 2.00 1.62 -2.64 -1.46 0.00 -1.98 -3.42 119.26 113.38 3pmg h ALA 509 Ca -0.16 0.05 -0.58 0.00 0.00 0.00 0.00 54.91 54.22 3pmg h ALA 509 Cb 0.69 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3pmg h ALA 509 CO 0.21 0.07 -0.18 0.20 0.00 0.00 0.00 179.25 179.55 3pmg s GLY 510 N -3.63 2.40 0.09 0.00 0.00 -1.26 -1.70 107.32 103.22 3pmg s GLY 510 Ca -0.11 -0.27 0.04 0.00 0.00 0.00 0.00 44.72 44.38 3pmg s GLY 510 CO 0.80 -0.01 -0.10 0.00 0.00 0.00 0.00 173.10 173.79 3pmg s ALA 511 N -1.40 1.06 -0.15 3.20 0.00 0.04 -4.28 121.76 120.22 3pmg s ALA 511 Ca 0.34 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 51.20 3pmg s ALA 511 Cb -0.15 0.01 0.01 0.00 0.00 0.00 0.00 23.12 22.99 3pmg s ALA 511 CO 0.18 -0.00 -0.18 0.99 0.00 0.00 0.00 175.76 176.75 3pmg s THR 512 N -2.14 2.38 -0.21 0.00 2.01 -0.35 -0.55 115.64 116.77 3pmg s THR 512 Ca 0.02 -0.87 -0.07 0.00 0.31 0.00 0.00 61.69 61.09 3pmg s THR 512 Cb -0.05 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 3pmg s THR 512 CO 0.00 0.53 0.06 -0.63 -0.69 0.00 0.00 174.62 173.89 3pmg s ILE 513 N 0.89 4.51 -0.13 1.82 1.01 -0.72 -1.08 121.20 127.49 3pmg s ILE 513 Ca -0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.47 3pmg s ILE 513 Cb -0.15 -3.07 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 3pmg s ILE 513 CO -0.02 0.40 -0.08 -0.13 0.00 0.00 0.00 174.94 175.11 3pmg s ARG 514 N 0.98 3.45 -0.08 2.79 0.52 -0.20 -0.77 118.95 125.63 3pmg s ARG 514 Ca 0.04 -0.59 0.04 0.00 -0.52 0.00 0.00 55.73 54.69 3pmg s ARG 514 Cb -0.14 -2.76 0.00 0.00 0.52 0.00 0.00 34.95 32.57 3pmg s ARG 514 CO 0.03 0.28 -0.19 -1.17 0.02 0.00 0.00 175.30 174.27 3pmg s LEU 515 N 0.21 1.92 -0.12 2.53 2.96 0.48 -1.69 118.68 124.97 3pmg s LEU 515 Ca -0.05 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.45 3pmg s LEU 515 Cb -0.14 -1.16 0.00 0.00 0.50 0.00 0.00 46.19 45.39 3pmg s LEU 515 CO 0.04 0.12 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.66 3pmg s TYR 516 N 0.37 2.62 -0.15 5.38 1.51 -0.47 -0.23 117.35 126.37 3pmg s TYR 516 Ca -0.14 -1.19 -0.00 0.00 -1.01 0.00 0.00 57.07 54.72 3pmg s TYR 516 Cb -0.16 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 39.91 3pmg s TYR 516 CO 0.06 -0.51 -0.13 0.42 -1.11 0.00 0.00 175.55 174.28 3pmg s ILE 517 N 0.58 2.95 -0.24 2.71 -1.09 -0.30 -0.80 121.20 125.00 3pmg s ILE 517 Ca -0.13 -0.68 -0.00 0.00 -2.23 0.00 0.00 60.65 57.61 3pmg s ILE 517 Cb -0.17 -2.25 0.07 0.00 -1.58 0.00 0.00 42.46 38.53 3pmg s ILE 517 CO 0.03 0.51 0.01 -0.62 -1.23 0.00 0.00 174.94 173.64 3pmg s ASP 518 N 0.66 3.64 -0.37 3.58 -1.08 -0.71 -1.48 116.67 120.91 3pmg s ASP 518 Ca -0.07 -1.20 -0.02 0.00 -0.52 0.00 0.00 52.55 50.74 3pmg s ASP 518 Cb -0.15 -0.97 0.09 0.00 -1.46 0.00 0.00 42.92 40.43 3pmg s ASP 518 CO 0.02 -0.30 0.14 -0.55 0.52 0.00 0.00 175.17 175.00 3pmg s SER 519 N 1.55 5.12 -0.14 -0.34 0.15 -0.66 0.00 113.70 119.39 3pmg s SER 519 Ca -0.01 -1.83 -0.29 0.00 0.70 0.00 0.00 55.95 54.52 3pmg s SER 519 Cb -0.18 -1.78 -0.02 0.00 -1.71 0.00 0.00 66.02 62.33 3pmg s SER 519 CO -0.10 -0.45 1.23 -0.47 1.20 0.00 0.00 173.24 174.65 3pmg s TYR 520 N 1.15 2.98 -0.19 3.44 5.04 -1.26 -1.55 117.35 126.95 3pmg s TYR 520 Ca 0.05 1.10 0.01 0.00 -2.44 0.00 0.00 57.07 55.79 3pmg s TYR 520 Cb -0.22 -3.46 0.04 0.00 0.35 0.00 0.00 41.96 38.67 3pmg s TYR 520 CO -0.04 -1.51 -0.13 -2.00 -1.34 0.00 0.00 175.55 170.54 3pmg s GLU 521 N 3.11 2.26 -0.01 4.97 2.56 0.14 -4.86 118.70 126.89 3pmg s GLU 521 Ca 0.54 -0.83 0.20 0.00 0.00 0.00 0.00 54.97 54.89 3pmg s GLU 521 Cb -0.22 -2.42 -0.23 0.00 2.00 0.00 0.00 34.13 33.26 3pmg s GLU 521 CO 0.16 -0.37 0.56 1.17 -0.56 0.00 0.00 175.26 176.23 3pmg n LYS 522 N 4.67 0.65 -1.76 4.30 3.00 -1.26 -0.82 118.16 126.94 3pmg n LYS 522 Ca -0.16 -0.03 -0.42 0.00 -0.00 0.00 0.00 58.31 57.70 3pmg n LYS 522 Cb 0.47 -1.62 -0.03 0.00 0.00 0.00 0.00 35.03 33.85 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 -5.07 6.47 0.00 3.14 2.15 -1.26 -4.82 116.67 117.27 3pmg s ASP 523 Ca -0.06 2.53 0.08 0.00 0.43 0.00 0.00 52.55 55.53 3pmg s ASP 523 Cb 0.11 -2.53 0.47 0.00 -0.30 0.00 0.00 42.92 40.66 3pmg s ASP 523 CO 0.86 -1.06 0.98 0.59 -0.17 0.00 0.00 175.17 176.37 3pmg n ASN 524 N 7.59 0.00 -0.08 -0.34 5.03 -1.26 -0.30 115.26 125.90 3pmg n ASN 524 Ca 0.20 -0.16 -0.10 0.00 0.87 0.00 0.00 54.58 55.39 3pmg n ASN 524 Cb 0.42 -0.07 -0.15 0.00 -1.02 0.00 0.00 39.78 38.96 3pmg n ASN 524 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3pmg n ALA 525 N -1.07 1.49 0.02 5.41 0.00 -1.26 -4.51 120.51 120.59 3pmg n ALA 525 Ca 0.06 -1.19 -0.02 0.00 0.00 0.00 0.00 53.44 52.29 3pmg n ALA 525 Cb 0.04 -0.34 -0.09 0.00 0.00 0.00 0.00 19.45 19.05 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 -2.85 0.62 0.18 0.00 5.02 0.59 -4.48 118.16 117.25 3pmg n LYS 526 Ca -0.30 0.23 0.09 0.00 -2.02 0.00 0.00 58.31 56.31 3pmg n LYS 526 Cb 1.13 -1.80 0.46 0.00 -0.02 0.00 0.00 35.03 34.80 3pmg n LYS 526 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 3pmg h ILE 527 N 0.00 0.00 -0.56 -0.18 3.07 -1.65 -2.73 117.51 115.46 3pmg h ILE 527 Ca -0.19 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.22 3pmg h ILE 527 Cb 1.67 0.37 0.00 0.00 -0.27 0.00 0.00 36.82 38.59 3pmg h ILE 527 CO 0.05 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 177.74 3pmg n ASN 528 N -2.19 3.83 -4.49 2.16 3.02 -1.26 -4.99 115.26 111.33 3pmg n ASN 528 Ca -0.01 -2.18 -0.26 0.00 -0.03 0.00 0.00 54.58 52.09 3pmg n ASN 528 Cb 0.27 -0.43 0.13 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.34 1.33 0.10 3.52 -0.21 -1.03 -5.02 119.66 117.02 3pmg s GLN 529 Ca 0.41 -0.72 -0.31 0.00 0.02 0.00 0.00 55.36 54.76 3pmg s GLN 529 Cb 0.24 -2.12 -0.07 0.00 1.00 0.00 0.00 33.01 32.06 3pmg s GLN 529 CO 0.24 -1.81 1.29 0.34 -2.12 0.00 0.00 175.29 173.23 3pmg s ASP 530 N -4.77 6.96 0.37 5.90 -1.08 -1.26 -4.95 116.67 117.84 3pmg s ASP 530 Ca 0.69 2.19 0.06 0.00 -0.52 0.00 0.00 52.55 54.97 3pmg s ASP 530 Cb -0.05 -2.59 0.76 0.00 -1.46 0.00 0.00 42.92 39.58 3pmg s ASP 530 CO 0.48 -0.54 1.98 1.55 0.52 0.00 0.00 175.17 179.15 3pmg h PRO 531 N 6.58 0.71 -0.64 4.34 0.13 -1.95 -2.24 132.00 138.92 3pmg h PRO 531 Ca -0.42 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 3pmg h PRO 531 Cb 1.21 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 3pmg h PRO 531 CO 0.83 0.47 0.32 1.96 -0.23 0.00 0.00 178.00 181.34 3pmg h GLN 532 N 0.73 0.92 -0.21 0.86 1.08 -1.94 0.38 115.11 116.93 3pmg h GLN 532 Ca 0.29 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 3pmg h GLN 532 Cb 0.21 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 3pmg h GLN 532 CO -0.09 0.73 0.09 0.28 -0.95 0.00 0.00 178.83 178.89 3pmg h VAL 533 N 0.89 1.15 0.00 -0.54 2.07 -1.82 -2.02 116.25 115.98 3pmg h VAL 533 Ca 0.22 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 3pmg h VAL 533 Cb 0.10 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3pmg h VAL 533 CO -0.03 0.15 -0.26 0.24 0.02 0.00 0.00 177.57 177.69 3pmg h MET 534 N 0.20 0.00 0.00 1.57 2.86 -1.12 -2.73 114.93 115.71 3pmg h MET 534 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3pmg h MET 534 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 3pmg h MET 534 CO -0.01 0.26 -0.57 1.28 1.06 0.00 0.00 176.91 178.93 3pmg n LEU 535 N -3.56 0.56 -0.31 1.22 4.77 0.13 -4.48 117.00 115.34 3pmg n LEU 535 Ca -0.01 -0.04 0.10 0.00 -0.03 0.00 0.00 56.01 56.04 3pmg n LEU 535 Cb 0.41 -0.22 0.27 0.00 -2.33 0.00 0.00 43.42 41.54 3pmg n LEU 535 CO 0.34 0.13 1.09 0.00 -1.33 0.00 0.00 177.39 177.62 3pmg h ALA 536 N 2.97 1.38 -0.15 -1.18 0.00 -1.03 -0.64 119.26 120.60 3pmg h ALA 536 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3pmg h ALA 536 Cb 0.52 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3pmg h ALA 536 CO 0.00 -0.18 0.06 -1.35 0.00 0.00 0.00 179.25 177.78 3pmg h PRO 537 N 0.55 0.23 0.00 0.00 0.11 -1.80 -2.54 132.00 128.55 3pmg h PRO 537 Ca 0.51 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.49 3pmg h PRO 537 Cb 0.84 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 3pmg h PRO 537 CO -0.43 0.31 -0.43 1.25 -0.21 0.00 0.00 178.00 178.50 3pmg h LEU 538 N 0.10 0.00 -0.84 2.35 5.85 -1.67 -2.69 115.31 118.40 3pmg h LEU 538 Ca 0.05 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 3pmg h LEU 538 Cb 0.17 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3pmg h LEU 538 CO -0.00 0.43 -0.09 0.40 -0.34 0.00 0.00 178.44 178.83 3pmg h ILE 539 N 0.00 1.25 -0.33 4.05 2.04 -0.94 -0.98 117.51 122.61 3pmg h ILE 539 Ca -0.00 -1.13 -0.03 0.00 1.00 0.00 0.00 64.86 64.69 3pmg h ILE 539 Cb 0.85 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 3pmg h ILE 539 CO 0.06 0.39 0.09 -1.28 0.00 0.00 0.00 178.15 177.40 3pmg h SER 540 N 0.71 0.49 -0.45 1.72 0.87 -1.25 -1.64 113.55 113.99 3pmg h SER 540 Ca 0.12 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 3pmg h SER 540 Cb 0.56 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 3pmg h SER 540 CO 0.03 0.59 0.25 0.40 -0.53 0.00 0.00 176.83 177.58 3pmg h ILE 541 N 0.37 1.16 -0.81 2.23 2.04 -1.32 -0.81 117.51 120.37 3pmg h ILE 541 Ca 0.10 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 3pmg h ILE 541 Cb 0.28 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 3pmg h ILE 541 CO -0.00 0.17 0.35 0.00 0.00 0.00 0.00 178.15 178.66 3pmg h ALA 542 N 1.10 1.06 -0.23 1.87 0.00 -0.94 -0.06 119.26 122.06 3pmg h ALA 542 Ca 0.16 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 3pmg h ALA 542 Cb 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3pmg h ALA 542 CO -0.03 0.66 -0.58 -0.07 0.00 0.00 0.00 179.25 179.24 3pmg h LEU 543 N 1.18 0.90 0.30 0.00 3.38 -0.98 -2.68 115.31 117.41 3pmg h LEU 543 Ca 0.27 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3pmg h LEU 543 Cb 0.19 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3pmg h LEU 543 CO -0.03 1.31 -0.14 0.11 0.09 0.00 0.00 178.44 179.78 3pmg h LYS 544 N 0.54 -0.39 0.00 1.13 1.57 -1.00 -0.06 116.57 118.37 3pmg h LYS 544 Ca -0.01 0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3pmg h LYS 544 Cb 1.19 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 3pmg h LYS 544 CO 0.13 -0.08 -0.25 -0.39 -0.57 0.00 0.00 179.45 178.29 3pmg h VAL 545 N -0.72 1.17 0.00 0.50 -1.51 -1.11 -2.55 116.25 112.02 3pmg h VAL 545 Ca -0.04 -0.85 0.00 0.00 -1.23 0.00 0.00 66.70 64.57 3pmg h VAL 545 Cb 0.49 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 3pmg h VAL 545 CO 0.07 0.24 -0.36 -1.54 -1.23 0.00 0.00 177.57 174.75 3pmg n SER 546 N -4.23 0.57 -3.07 4.19 3.41 -1.01 -4.91 113.62 108.58 3pmg n SER 546 Ca -0.02 0.21 -0.22 0.00 -0.26 0.00 0.00 58.87 58.58 3pmg n SER 546 Cb 0.30 -0.14 0.01 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.92 -3.86 -0.30 4.33 1.13 -0.04 -4.88 117.38 111.84 3pmg n GLN 547 Ca 0.05 0.71 -0.04 0.00 -1.94 0.00 0.00 57.00 55.77 3pmg n GLN 547 Cb 0.40 -5.47 0.07 0.00 0.11 0.00 0.00 30.24 25.35 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 -1.01 0.96 -0.23 1.08 6.46 -1.87 0.13 115.31 120.85 3pmg h LEU 548 Ca -0.46 -0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.22 3pmg h LEU 548 Cb 1.32 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 41.00 3pmg h LEU 548 CO 0.53 0.74 0.04 -0.61 -0.62 0.00 0.00 178.44 178.52 3pmg h GLN 549 N 1.11 0.37 -0.57 1.25 4.15 -1.82 0.56 115.11 120.15 3pmg h GLN 549 Ca 0.29 -0.09 0.02 0.00 0.77 0.00 0.00 58.65 59.63 3pmg h GLN 549 Cb -0.06 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.55 3pmg h GLN 549 CO -0.06 0.50 0.36 0.93 -1.93 0.00 0.00 178.83 178.63 3pmg h GLU 550 N 0.18 0.71 0.00 1.69 3.07 -1.84 0.40 114.58 118.79 3pmg h GLU 550 Ca 0.07 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.80 3pmg h GLU 550 Cb 0.30 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 3pmg h GLU 550 CO 0.00 0.47 -0.41 0.00 -1.40 0.00 0.00 179.01 177.67 3pmg h ARG 551 N 0.73 0.00 0.00 2.33 2.47 -0.58 -3.38 114.38 115.95 3pmg h ARG 551 Ca 0.22 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.94 3pmg h ARG 551 Cb -0.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 3pmg h ARG 551 CO -0.07 0.41 -0.47 0.25 0.56 0.00 0.00 179.97 180.65 3pmg n THR 552 N -3.36 0.00 -0.99 2.04 -2.24 0.18 -4.51 114.28 105.40 3pmg n THR 552 Ca 0.01 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3pmg n THR 552 Cb 0.60 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 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 1.59 0.54 3.72 3.38 0.00 0.13 -4.79 105.19 109.77 3pmg n GLY 553 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.20 4.41 0.00 1.61 1.81 -1.25 -4.94 118.95 120.38 3pmg s ARG 554 Ca 0.00 0.76 0.22 0.00 -1.72 0.00 0.00 55.73 54.99 3pmg s ARG 554 Cb 0.00 -3.44 -0.14 0.00 -0.45 0.00 0.00 34.95 30.92 3pmg s ARG 554 CO 0.00 0.10 0.93 0.25 -0.68 0.00 0.00 175.30 175.90 3pmg n THR 555 N 3.71 0.01 -3.75 0.02 -2.24 -1.26 -4.30 114.28 106.48 3pmg n THR 555 Ca -0.03 -0.07 -0.12 0.00 -2.27 0.00 0.00 64.05 61.56 3pmg n THR 555 Cb 0.51 0.76 -0.08 0.00 -2.10 0.00 0.00 70.33 69.43 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 -3.07 -0.74 0.78 6.98 0.00 -1.26 -5.13 121.76 119.33 3pmg s ALA 556 Ca 0.06 0.13 -0.11 0.00 0.00 0.00 0.00 51.96 52.04 3pmg s ALA 556 Cb 0.16 0.24 0.06 0.00 0.00 0.00 0.00 23.12 23.58 3pmg s ALA 556 CO 0.85 -0.37 1.08 -1.25 0.00 0.00 0.00 175.76 176.08 3pmg s PRO 557 N -2.15 2.21 0.06 0.00 0.04 -1.26 -4.98 135.00 128.91 3pmg s PRO 557 Ca -0.08 0.90 -0.16 0.00 0.04 0.00 0.00 61.00 61.71 3pmg s PRO 557 Cb -0.02 -1.91 -0.21 0.00 0.04 0.00 0.00 34.50 32.40 3pmg s PRO 557 CO -0.01 -1.60 1.20 1.15 0.04 0.00 0.00 177.00 177.79 3pmg h THR 558 N -1.08 1.33 -3.82 1.26 2.02 0.25 -3.46 112.91 109.40 3pmg h THR 558 Ca -0.46 -2.07 -0.41 0.00 0.77 0.00 0.00 66.41 64.25 3pmg h THR 558 Cb 1.24 2.30 -0.31 0.00 -1.74 0.00 0.00 68.15 69.65 3pmg h THR 558 CO 0.56 0.63 -0.78 -0.69 0.37 0.00 0.00 175.52 175.61 3pmg s VAL 559 N -3.46 0.69 -0.17 3.16 1.01 -1.13 -5.02 120.40 115.47 3pmg s VAL 559 Ca -0.11 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 3pmg s VAL 559 Cb 0.06 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.82 3pmg s VAL 559 CO 0.88 0.22 -0.14 -0.63 0.00 0.00 0.00 175.10 175.42 3pmg s ILE 560 N 0.18 2.66 -0.85 2.22 1.01 -1.26 -1.94 121.20 123.22 3pmg s ILE 560 Ca -0.03 -0.76 0.07 0.00 0.00 0.00 0.00 60.65 59.93 3pmg s ILE 560 Cb -0.08 -2.14 0.05 0.00 0.01 0.00 0.00 42.46 40.31 3pmg s ILE 560 CO 0.00 0.51 0.71 0.41 0.00 0.00 0.00 174.94 176.57