#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jrg s GLU 2 N 0.00 3.36 -0.41 0.00 2.56 -1.26 -4.91 118.70 118.04 1jrg s GLU 2 Ca 0.00 -0.25 -0.26 0.00 0.00 0.00 0.00 54.97 54.46 1jrg s GLU 2 Cb 0.00 -3.06 0.02 0.00 2.00 0.00 0.00 34.13 33.09 1jrg s GLU 2 CO 0.00 0.69 0.94 -1.17 -0.56 0.00 0.00 175.26 175.15 1jrg s LEU 3 N -0.79 3.98 -0.01 2.70 2.96 -1.26 -4.84 118.68 121.42 1jrg s LEU 3 Ca 0.13 0.38 0.08 0.00 -0.22 0.00 0.00 54.13 54.51 1jrg s LEU 3 Cb -0.12 -3.25 -0.11 0.00 0.50 0.00 0.00 46.19 43.21 1jrg s LEU 3 CO 0.03 -0.96 0.27 1.33 -1.32 0.00 0.00 176.35 175.70 1jrg n VAL 4 N 6.21 0.00 -3.33 1.68 0.24 -1.26 -4.97 118.33 116.90 1jrg n VAL 4 Ca 0.07 -0.25 -0.39 0.00 -2.04 0.00 0.00 64.34 61.73 1jrg n VAL 4 Cb 0.48 0.64 -0.08 0.00 -1.47 0.00 0.00 33.84 33.42 1jrg n VAL 4 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1jrg s SER 5 N -2.41 6.43 0.46 -1.34 0.15 -1.26 -4.96 113.70 110.78 1jrg s SER 5 Ca -0.00 0.52 0.13 0.00 0.70 0.00 0.00 55.95 57.30 1jrg s SER 5 Cb 0.06 -2.25 1.03 0.00 -1.71 0.00 0.00 66.02 63.15 1jrg s SER 5 CO 0.35 -0.15 2.03 0.44 1.20 0.00 0.00 173.24 177.11 1jrg h ASP 6 N 7.63 0.07 0.01 5.45 3.32 -2.00 -3.05 116.42 127.85 1jrg h ASP 6 Ca -0.34 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1jrg h ASP 6 Cb 1.16 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1jrg h ASP 6 CO 0.71 0.18 -0.16 0.29 -1.72 0.00 0.00 179.24 178.54 1jrg n LYS 7 N -4.39 1.74 -0.28 3.56 4.76 -1.26 -4.69 118.16 117.60 1jrg n LYS 7 Ca -0.02 -1.34 0.09 0.00 -2.87 0.00 0.00 58.31 54.17 1jrg n LYS 7 Cb 0.19 -1.47 0.24 0.00 -1.84 0.00 0.00 35.03 32.14 1jrg n LYS 7 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jrg h ALA 8 N 4.31 1.21 -0.26 7.82 0.00 -1.96 -2.99 119.26 127.39 1jrg h ALA 8 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1jrg h ALA 8 Cb 0.79 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1jrg h ALA 8 CO 0.00 -0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.26 1jrg n LEU 9 N -5.04 1.86 -4.82 0.00 4.77 -1.26 -4.84 117.00 107.67 1jrg n LEU 9 Ca 0.18 -0.84 -0.35 0.00 -0.03 0.00 0.00 56.01 54.97 1jrg n LEU 9 Cb 0.52 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.38 1jrg n LEU 9 CO 0.15 0.42 0.53 -1.83 -1.33 0.00 0.00 177.39 175.33 1jrg s GLU 10 N -1.66 4.26 0.62 3.23 -1.05 -1.13 -4.73 118.70 118.24 1jrg s GLU 10 Ca 0.30 0.98 0.04 0.00 -0.15 0.00 0.00 54.97 56.14 1jrg s GLU 10 Cb 0.16 -2.58 0.12 0.00 -0.44 0.00 0.00 34.13 31.39 1jrg s GLU 10 CO 0.23 0.20 0.86 -1.13 0.95 0.00 0.00 175.26 176.37 1jrg n SER 11 N 0.08 1.62 -4.72 0.83 3.41 -1.26 -4.93 113.62 108.64 1jrg n SER 11 Ca 0.02 -2.26 -0.34 0.00 -0.26 0.00 0.00 58.87 56.04 1jrg n SER 11 Cb 0.52 -0.51 0.10 0.00 -0.26 0.00 0.00 64.21 64.06 1jrg n SER 11 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jrg s ALA 12 N -2.92 2.03 0.66 7.33 0.00 -0.12 -4.98 121.76 123.76 1jrg s ALA 12 Ca 0.60 0.80 -0.16 0.00 0.00 0.00 0.00 51.96 53.21 1jrg s ALA 12 Cb -0.04 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1jrg s ALA 12 CO 0.39 -2.01 1.16 -2.14 0.00 0.00 0.00 175.76 173.16 1jrg s PRO 13 N -4.08 2.67 0.09 0.00 0.02 -1.26 -4.87 135.00 127.57 1jrg s PRO 13 Ca 0.72 1.59 0.13 0.00 0.02 0.00 0.00 61.00 63.47 1jrg s PRO 13 Cb -0.27 -1.92 0.60 0.00 0.02 0.00 0.00 34.50 32.93 1jrg s PRO 13 CO 0.48 -1.39 1.42 0.25 -0.33 0.00 0.00 177.00 177.43 1jrg n THR 14 N -2.28 1.22 -3.14 0.99 -2.24 -1.26 -4.52 114.28 103.05 1jrg n THR 14 Ca 0.12 0.36 -0.39 0.00 -2.27 0.00 0.00 64.05 61.87 1jrg n THR 14 Cb 0.51 -1.24 -0.05 0.00 -2.10 0.00 0.00 70.33 67.45 1jrg n THR 14 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1jrg s VAL 15 N -3.13 5.10 0.00 2.28 1.01 -1.26 -4.84 120.40 119.56 1jrg s VAL 15 Ca 0.04 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.28 1jrg s VAL 15 Cb 0.07 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1jrg s VAL 15 CO 0.22 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1jrg n GLY 16 N 3.18 3.14 0.24 4.51 0.00 -1.26 -4.82 105.19 110.18 1jrg n GLY 16 Ca -0.03 -1.92 0.11 0.00 0.00 0.00 0.00 46.02 44.18 1jrg n GLY 16 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1jrg h TRP 17 N 0.00 0.00 0.00 1.61 4.06 -1.87 -2.65 115.95 117.10 1jrg h TRP 17 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1jrg h TRP 17 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1jrg h TRP 17 CO 0.00 0.17 0.00 0.00 -3.56 0.00 0.00 178.44 175.05 1jrg n ALA 18 N -2.24 1.55 -0.07 1.49 0.00 -1.25 -1.75 120.51 118.24 1jrg n ALA 18 Ca -0.01 -0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.43 1jrg n ALA 18 Cb 0.34 -1.17 0.10 0.00 0.00 0.00 0.00 19.45 18.71 1jrg n ALA 18 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jrg n SER 19 N -1.43 2.53 -4.87 0.00 7.64 -1.00 -3.11 113.62 113.39 1jrg n SER 19 Ca 0.03 -1.91 -0.36 0.00 1.01 0.00 0.00 58.87 57.64 1jrg n SER 19 Cb 0.11 -0.14 -0.06 0.00 -1.01 0.00 0.00 64.21 63.11 1jrg n SER 19 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1jrg s GLN 20 N -0.96 3.67 -1.42 1.43 -1.52 -0.72 -4.34 119.66 115.81 1jrg s GLN 20 Ca 0.16 0.08 -0.05 0.00 -1.95 0.00 0.00 55.36 53.60 1jrg s GLN 20 Cb 0.08 -3.12 0.03 0.00 -0.22 0.00 0.00 33.01 29.78 1jrg s GLN 20 CO 0.11 0.67 0.67 -1.71 -0.25 0.00 0.00 175.29 174.78 1jrg n ASN 21 N 1.44 -1.82 0.00 5.90 4.05 -1.26 -4.75 115.26 118.82 1jrg n ASN 21 Ca -0.13 -0.89 0.00 0.00 0.45 0.00 0.00 54.58 54.01 1jrg n ASN 21 Cb 0.53 -3.57 0.00 0.00 1.23 0.00 0.00 39.78 37.97 1jrg n ASN 21 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1jrg n GLY 22 N -1.72 3.41 3.95 8.20 0.00 -1.26 -5.11 105.19 112.66 1jrg n GLY 22 Ca -0.20 -1.77 -0.25 0.00 0.00 0.00 0.00 46.02 43.81 1jrg n GLY 22 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jrg s PHE 23 N -2.14 3.48 -0.42 1.61 0.40 -1.26 -4.07 117.98 115.57 1jrg s PHE 23 Ca 0.00 0.15 -0.09 0.00 -0.60 0.00 0.00 56.93 56.39 1jrg s PHE 23 Cb 0.00 -1.71 0.08 0.00 0.51 0.00 0.00 43.02 41.91 1jrg s PHE 23 CO 0.00 0.42 0.26 0.99 0.70 0.00 0.00 175.22 177.59 1jrg s THR 24 N -1.91 4.19 -1.07 0.64 2.01 -1.18 -4.89 115.64 113.43 1jrg s THR 24 Ca 0.36 -1.44 0.12 0.00 0.31 0.00 0.00 61.69 61.04 1jrg s THR 24 Cb -0.10 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 1jrg s THR 24 CO 0.30 -0.52 0.69 0.35 -0.69 0.00 0.00 174.62 174.74 1jrg n THR 25 N 4.90 0.00 0.00 -0.82 -2.24 -1.26 -0.94 114.28 113.92 1jrg n THR 25 Ca -0.10 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1jrg n THR 25 Cb 0.43 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1jrg n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jrg n GLY 26 N 0.98 3.53 1.92 3.38 0.00 -1.25 -1.96 105.19 111.79 1jrg n GLY 26 Ca 0.05 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 1jrg n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jrg n GLY 27 N 0.00 3.80 0.22 -0.02 0.00 -1.22 -4.12 105.19 103.86 1jrg n GLY 27 Ca 0.00 -1.02 0.12 0.00 0.00 0.00 0.00 46.02 45.12 1jrg n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrg h ALA 28 N 2.45 1.14 -0.55 4.61 0.00 -1.68 0.13 119.26 125.37 1jrg h ALA 28 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1jrg h ALA 28 Cb 2.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.09 1jrg h ALA 28 CO 0.72 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1jrg n ALA 29 N -1.76 2.54 -1.75 0.00 0.00 -1.26 -4.98 120.51 113.29 1jrg n ALA 29 Ca -0.02 -1.03 -0.37 0.00 0.00 0.00 0.00 53.44 52.02 1jrg n ALA 29 Cb 0.22 -0.97 0.03 0.00 0.00 0.00 0.00 19.45 18.72 1jrg n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jrg s ALA 30 N -1.37 2.69 0.54 0.00 0.00 0.46 -4.87 121.76 119.21 1jrg s ALA 30 Ca 0.38 1.09 -0.04 0.00 0.00 0.00 0.00 51.96 53.39 1jrg s ALA 30 Cb 0.21 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1jrg s ALA 30 CO 0.24 -1.14 0.82 0.95 0.00 0.00 0.00 175.76 176.63 1jrg s THR 31 N -1.49 3.88 0.47 0.00 -4.23 -1.26 -4.95 115.64 108.06 1jrg s THR 31 Ca 0.73 -0.12 0.19 0.00 -1.18 0.00 0.00 61.69 61.31 1jrg s THR 31 Cb -0.33 -3.50 0.36 0.00 1.34 0.00 0.00 72.50 70.37 1jrg s THR 31 CO 0.38 -0.47 1.96 0.28 -0.54 0.00 0.00 174.62 176.23 1jrg h SER 32 N 0.03 0.24 0.55 3.99 0.02 -1.96 0.84 113.55 117.26 1jrg h SER 32 Ca -0.46 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1jrg h SER 32 Cb 1.25 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1jrg h SER 32 CO 0.60 0.13 0.00 0.47 -1.14 0.00 0.00 176.83 176.89 1jrg n ASP 33 N -4.44 0.00 -1.55 3.07 8.00 -1.26 -3.25 116.55 117.12 1jrg n ASP 33 Ca 0.12 -0.03 -0.14 0.00 0.71 0.00 0.00 54.79 55.44 1jrg n ASP 33 Cb 0.52 -0.31 0.12 0.00 -0.02 0.00 0.00 41.12 41.43 1jrg n ASP 33 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1jrg n ASN 34 N -1.31 3.92 -4.15 -2.24 3.02 0.29 -4.76 115.26 110.03 1jrg n ASN 34 Ca 0.12 -3.80 -0.32 0.00 -0.03 0.00 0.00 54.58 50.55 1jrg n ASN 34 Cb 0.22 -0.54 -0.16 0.00 -0.61 0.00 0.00 39.78 38.69 1jrg n ASN 34 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jrg s ILE 35 N -3.97 2.02 0.26 2.41 1.01 -1.20 -1.15 121.20 120.58 1jrg s ILE 35 Ca 0.48 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 60.25 1jrg s ILE 35 Cb 0.41 -1.80 -0.06 0.00 0.01 0.00 0.00 42.46 41.03 1jrg s ILE 35 CO 0.00 0.54 -0.04 -0.31 0.00 0.00 0.00 174.94 175.13 1jrg s TYR 36 N 0.96 1.80 -0.14 3.97 1.51 0.62 0.00 117.35 126.08 1jrg s TYR 36 Ca -0.04 -0.77 -0.02 0.00 -1.01 0.00 0.00 57.07 55.23 1jrg s TYR 36 Cb -0.15 -1.03 0.05 0.00 -0.11 0.00 0.00 41.96 40.72 1jrg s TYR 36 CO -0.05 0.17 0.03 0.42 -1.11 0.00 0.00 175.55 175.01 1jrg s ILE 37 N -3.15 0.40 -0.06 2.71 1.01 -1.26 -1.29 121.20 119.56 1jrg s ILE 37 Ca 0.29 -0.23 0.05 0.00 0.00 0.00 0.00 60.65 60.75 1jrg s ILE 37 Cb 0.04 -0.78 -0.02 0.00 0.01 0.00 0.00 42.46 41.72 1jrg s ILE 37 CO 0.10 -0.02 -0.21 0.68 0.00 0.00 0.00 174.94 175.50 1jrg s VAL 38 N 1.93 2.46 -0.29 2.92 -7.23 -0.47 -4.97 120.40 114.76 1jrg s VAL 38 Ca 0.02 -0.93 0.13 0.00 -1.81 0.00 0.00 61.98 59.39 1jrg s VAL 38 Cb -0.15 -1.93 -0.17 0.00 0.56 0.00 0.00 36.38 34.69 1jrg s VAL 38 CO -0.07 0.57 0.40 0.35 -0.31 0.00 0.00 175.10 176.04 1jrg n THR 39 N 2.79 0.00 -4.21 5.32 -2.24 -1.26 -1.76 114.28 112.92 1jrg n THR 39 Ca -0.17 -0.25 -0.18 0.00 -2.27 0.00 0.00 64.05 61.18 1jrg n THR 39 Cb 0.52 0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 69.27 1jrg n THR 39 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1jrg s ASN 40 N -2.85 1.49 0.27 3.42 2.20 -1.26 -4.54 114.94 113.67 1jrg s ASN 40 Ca -0.00 -1.69 0.03 0.00 -0.94 0.00 0.00 52.86 50.26 1jrg s ASN 40 Cb 0.09 0.61 0.36 0.00 -2.00 0.00 0.00 41.25 40.31 1jrg s ASN 40 CO 0.52 -1.17 1.67 -0.29 -2.94 0.00 0.00 177.10 174.88 1jrg h ILE 41 N 2.10 1.30 -0.31 0.54 6.09 -1.93 -1.58 117.51 123.71 1jrg h ILE 41 Ca -0.26 -1.50 -0.04 0.00 -1.37 0.00 0.00 64.86 61.69 1jrg h ILE 41 Cb 1.23 1.59 -0.01 0.00 0.47 0.00 0.00 36.82 40.10 1jrg h ILE 41 CO 0.37 0.46 0.03 0.77 -3.07 0.00 0.00 178.15 176.70 1jrg h SER 42 N 0.33 0.52 0.20 2.19 4.64 -1.97 0.01 113.55 119.47 1jrg h SER 42 Ca 0.03 -0.28 -0.07 0.00 -0.47 0.00 0.00 61.79 61.00 1jrg h SER 42 Cb 0.82 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 1jrg h SER 42 CO 0.07 0.67 -0.28 -0.33 -0.87 0.00 0.00 176.83 176.09 1jrg h GLU 43 N 0.35 0.13 -0.13 4.77 5.08 -1.96 -1.84 114.58 120.98 1jrg h GLU 43 Ca 0.09 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1jrg h GLU 43 Cb 0.39 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1jrg h GLU 43 CO 0.01 0.40 -0.16 0.35 -1.00 0.00 0.00 179.01 178.61 1jrg h PHE 44 N 0.12 0.40 0.00 4.33 3.57 -0.90 -2.47 116.94 121.99 1jrg h PHE 44 Ca 0.02 -0.13 -0.09 0.00 3.53 0.00 0.00 57.97 61.30 1jrg h PHE 44 Cb 0.56 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1jrg h PHE 44 CO 0.00 0.76 -0.43 1.79 -2.23 0.00 0.00 178.31 178.20 1jrg h THR 45 N -0.07 1.15 -0.45 4.41 1.35 -0.87 -1.95 112.91 116.48 1jrg h THR 45 Ca 0.02 -1.56 -0.10 0.00 -0.55 0.00 0.00 66.41 64.21 1jrg h THR 45 Cb 0.71 1.88 -0.01 0.00 -1.73 0.00 0.00 68.15 68.99 1jrg h THR 45 CO 0.04 0.42 -0.11 -1.28 -0.25 0.00 0.00 175.52 174.34 1jrg h SER 46 N 0.00 0.87 0.05 5.36 0.87 -1.30 -1.94 113.55 117.46 1jrg h SER 46 Ca -0.00 -0.36 -0.15 0.00 -1.23 0.00 0.00 61.79 60.04 1jrg h SER 46 Cb 0.85 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 1jrg h SER 46 CO 0.06 1.03 -0.53 0.00 -0.53 0.00 0.00 176.83 176.86 1jrg h ALA 47 N 0.87 0.74 0.00 6.23 0.00 -1.26 -2.88 119.26 122.95 1jrg h ALA 47 Ca 0.11 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1jrg h ALA 47 Cb 0.65 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1jrg h ALA 47 CO 0.04 0.68 -0.22 -0.07 0.00 0.00 0.00 179.25 179.69 1jrg h LEU 48 N 0.40 0.00 0.00 0.00 3.38 -1.26 -2.65 115.31 115.18 1jrg h LEU 48 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1jrg h LEU 48 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1jrg h LEU 48 CO 0.10 0.22 0.00 -1.20 0.09 0.00 0.00 178.44 177.65 1jrg n SER 49 N -3.57 0.00 0.00 -0.43 7.64 -0.74 -2.11 113.62 114.41 1jrg n SER 49 Ca -0.01 -0.03 0.06 0.00 1.01 0.00 0.00 58.87 59.90 1jrg n SER 49 Cb 0.36 -0.16 0.30 0.00 -1.01 0.00 0.00 64.21 63.69 1jrg n SER 49 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jrg n ALA 50 N -1.16 1.74 -0.62 -0.43 0.00 -1.00 -4.93 120.51 114.10 1jrg n ALA 50 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jrg n ALA 50 Cb 0.05 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1jrg n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jrg n GLY 51 N -0.33 2.07 0.17 0.00 0.00 -0.90 -2.83 105.19 103.37 1jrg n GLY 51 Ca 0.06 -0.53 0.05 0.00 0.00 0.00 0.00 46.02 45.61 1jrg n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrg n ALA 52 N 9.17 2.53 -1.80 4.61 0.00 -1.26 -4.32 120.51 129.44 1jrg n ALA 52 Ca 0.00 -0.20 -0.40 0.00 0.00 0.00 0.00 53.44 52.84 1jrg n ALA 52 Cb 0.00 -1.11 -0.05 0.00 0.00 0.00 0.00 19.45 18.30 1jrg n ALA 52 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1jrg s GLU 53 N -1.90 4.68 0.09 0.00 2.56 -1.13 -4.60 118.70 118.40 1jrg s GLU 53 Ca 0.17 1.73 -0.35 0.00 0.00 0.00 0.00 54.97 56.51 1jrg s GLU 53 Cb 0.08 -3.22 -0.15 0.00 2.00 0.00 0.00 34.13 32.84 1jrg s GLU 53 CO 0.13 0.26 1.53 0.00 -0.56 0.00 0.00 175.26 176.61 1jrg n ALA 54 N 1.42 0.45 -3.01 6.30 0.00 -1.26 -4.81 120.51 119.61 1jrg n ALA 54 Ca -0.01 0.45 -0.11 0.00 0.00 0.00 0.00 53.44 53.77 1jrg n ALA 54 Cb 0.45 -2.26 -0.12 0.00 0.00 0.00 0.00 19.45 17.52 1jrg n ALA 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1jrg s LYS 55 N 1.15 0.24 -0.25 0.00 -2.85 -0.68 -4.39 119.74 112.96 1jrg s LYS 55 Ca 0.83 -0.12 0.01 0.00 -1.00 0.00 0.00 55.97 55.68 1jrg s LYS 55 Cb -0.79 0.10 0.05 0.00 -2.06 0.00 0.00 37.83 35.12 1jrg s LYS 55 CO 0.43 -0.05 -0.09 0.42 0.10 0.00 0.00 175.35 176.17 1jrg s ILE 56 N -0.56 2.47 -0.28 3.79 -1.09 -0.30 -2.04 121.20 123.19 1jrg s ILE 56 Ca -0.06 -1.37 -0.04 0.00 -2.23 0.00 0.00 60.65 56.96 1jrg s ILE 56 Cb -0.04 -2.35 0.03 0.00 -1.58 0.00 0.00 42.46 38.52 1jrg s ILE 56 CO 0.00 0.08 0.00 -0.63 -1.23 0.00 0.00 174.94 173.17 1jrg s ILE 57 N 1.20 3.29 -0.24 2.92 1.01 0.21 -0.27 121.20 129.33 1jrg s ILE 57 Ca -0.04 -0.98 -0.15 0.00 0.00 0.00 0.00 60.65 59.47 1jrg s ILE 57 Cb -0.18 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 1jrg s ILE 57 CO -0.05 0.09 0.36 -1.10 0.00 0.00 0.00 174.94 174.24 1jrg s GLN 58 N 1.37 4.09 -0.23 2.79 -0.21 -0.41 -1.47 119.66 125.58 1jrg s GLN 58 Ca -0.00 0.07 -0.22 0.00 0.02 0.00 0.00 55.36 55.23 1jrg s GLN 58 Cb -0.17 -3.60 -0.02 0.00 1.00 0.00 0.00 33.01 30.22 1jrg s GLN 58 CO -0.01 -0.14 0.69 0.42 -2.12 0.00 0.00 175.29 174.13 1jrg s ILE 59 N 1.66 4.95 -0.28 1.08 -1.09 0.05 -1.36 121.20 126.20 1jrg s ILE 59 Ca 0.16 1.29 -0.06 0.00 -2.23 0.00 0.00 60.65 59.81 1jrg s ILE 59 Cb -0.15 -4.00 0.01 0.00 -1.58 0.00 0.00 42.46 36.74 1jrg s ILE 59 CO 0.08 0.02 0.05 -0.75 -1.23 0.00 0.00 174.94 173.11 1jrg s LYS 60 N 2.42 3.15 3.81 2.79 2.47 -0.72 -0.34 119.74 133.32 1jrg s LYS 60 Ca 0.30 -0.80 0.00 0.00 -1.56 0.00 0.00 55.97 53.90 1jrg s LYS 60 Cb -0.16 -3.27 0.00 0.00 -1.46 0.00 0.00 37.83 32.94 1jrg s LYS 60 CO 0.09 -0.38 0.00 0.41 0.16 0.00 0.00 175.35 175.63 1jrg n GLY 61 N 4.84 0.61 3.69 5.54 0.00 -1.26 -4.47 105.19 114.14 1jrg n GLY 61 Ca -0.15 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 1jrg n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jrg s THR 62 N 0.00 5.25 -0.40 2.61 2.01 -1.26 -0.95 115.64 122.91 1jrg s THR 62 Ca 0.00 0.62 -0.12 0.00 0.31 0.00 0.00 61.69 62.49 1jrg s THR 62 Cb 0.00 -3.68 0.03 0.00 0.01 0.00 0.00 72.50 68.86 1jrg s THR 62 CO 0.00 0.31 0.25 -0.63 -0.69 0.00 0.00 174.62 173.86 1jrg s ILE 63 N 0.94 4.78 -0.55 1.82 -1.09 0.63 -4.71 121.20 123.02 1jrg s ILE 63 Ca 0.17 -0.87 -0.21 0.00 -2.23 0.00 0.00 60.65 57.51 1jrg s ILE 63 Cb -0.14 -3.70 0.06 0.00 -1.58 0.00 0.00 42.46 37.09 1jrg s ILE 63 CO 0.06 -0.31 0.80 -0.62 -1.23 0.00 0.00 174.94 173.64 1jrg s ASP 64 N 1.70 6.26 0.50 3.58 2.15 -1.26 -1.75 116.67 127.85 1jrg s ASP 64 Ca 0.03 -0.75 0.18 0.00 0.43 0.00 0.00 52.55 52.44 1jrg s ASP 64 Cb -0.20 -2.36 1.24 0.00 -0.30 0.00 0.00 42.92 41.30 1jrg s ASP 64 CO 0.07 -1.11 2.08 0.40 -0.17 0.00 0.00 175.17 176.45 1jrg h ILE 65 N 5.94 0.93 0.00 4.11 1.08 -1.45 -0.29 117.51 127.83 1jrg h ILE 65 Ca -0.27 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.16 1jrg h ILE 65 Cb 1.08 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.66 1jrg h ILE 65 CO 1.05 0.02 0.00 -1.54 -0.69 0.00 0.00 178.15 176.99 1jrg n SER 66 N -4.48 0.00 -1.79 1.72 3.41 -1.26 -4.74 113.62 106.49 1jrg n SER 66 Ca 0.02 0.48 -0.15 0.00 -0.26 0.00 0.00 58.87 58.96 1jrg n SER 66 Cb 0.26 -0.49 -0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1jrg n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jrg n GLY 67 N 0.29 -0.25 2.70 5.00 0.00 -0.12 -1.90 105.19 110.91 1jrg n GLY 67 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1jrg n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jrg n GLY 68 N -1.05 0.50 3.12 -0.02 0.00 -1.26 -4.98 105.19 101.49 1jrg n GLY 68 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1jrg n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jrg s THR 69 N -2.28 2.47 0.36 2.61 2.01 -0.80 -5.10 115.64 114.91 1jrg s THR 69 Ca 0.00 -1.44 -0.28 0.00 0.31 0.00 0.00 61.69 60.28 1jrg s THR 69 Cb 0.00 -2.39 -0.12 0.00 0.01 0.00 0.00 72.50 70.01 1jrg s THR 69 CO 0.00 0.02 1.44 -0.81 -0.69 0.00 0.00 174.62 174.58 1jrg n PRO 70 N 4.53 2.51 -2.01 4.92 -0.04 -1.26 -4.78 135.00 138.86 1jrg n PRO 70 Ca -0.15 0.88 -0.42 0.00 -0.04 0.00 0.00 63.50 63.77 1jrg n PRO 70 Cb 0.44 -2.57 -0.03 0.00 -0.04 0.00 0.00 33.50 31.30 1jrg n PRO 70 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1jrg s TYR 71 N -1.02 2.60 0.22 0.54 1.51 -1.26 -4.89 117.35 115.06 1jrg s TYR 71 Ca 0.55 0.49 -0.00 0.00 -1.01 0.00 0.00 57.07 57.10 1jrg s TYR 71 Cb -0.51 -3.87 0.22 0.00 -0.11 0.00 0.00 41.96 37.69 1jrg s TYR 71 CO 0.62 -3.42 1.58 1.79 -1.11 0.00 0.00 175.55 175.01 1jrg h THR 72 N 4.76 1.32 -1.58 -0.71 1.35 -1.92 -3.48 112.91 112.65 1jrg h THR 72 Ca -0.41 -1.67 0.00 0.00 -0.55 0.00 0.00 66.41 63.77 1jrg h THR 72 Cb 1.20 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 1jrg h THR 72 CO 0.92 0.52 0.00 -0.90 -0.25 0.00 0.00 175.52 175.81 1jrg n ASP 73 N -3.99 0.00 -0.00 5.36 5.75 -1.26 -4.98 116.55 117.42 1jrg n ASP 73 Ca -0.02 -0.87 -0.10 0.00 -0.01 0.00 0.00 54.79 53.79 1jrg n ASP 73 Cb 0.55 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.60 1jrg n ASP 73 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 1jrg h PHE 74 N 0.87 -0.18 -0.46 2.11 3.57 -1.93 -1.65 116.94 119.28 1jrg h PHE 74 Ca 0.00 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.57 1jrg h PHE 74 Cb 0.00 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.79 1jrg h PHE 74 CO 0.00 -0.12 0.16 0.00 -2.23 0.00 0.00 178.31 176.12 1jrg h ALA 75 N 1.02 0.55 -0.26 2.41 0.00 -1.97 0.22 119.26 121.22 1jrg h ALA 75 Ca 0.07 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1jrg h ALA 75 Cb 0.19 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1jrg h ALA 75 CO -0.17 -0.23 0.11 0.22 0.00 0.00 0.00 179.25 179.18 1jrg h ASP 76 N 0.33 0.36 -0.71 0.00 3.58 -1.93 -1.14 116.42 116.92 1jrg h ASP 76 Ca 0.22 -0.16 -0.05 0.00 0.42 0.00 0.00 57.03 57.46 1jrg h ASP 76 Cb 0.21 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 1jrg h ASP 76 CO -0.22 0.42 0.27 -0.61 -2.88 0.00 0.00 179.24 176.22 1jrg h GLN 77 N 0.28 1.08 -0.65 0.28 4.15 -0.92 -0.46 115.11 118.87 1jrg h GLN 77 Ca 0.09 -0.20 -0.07 0.00 0.77 0.00 0.00 58.65 59.24 1jrg h GLN 77 Cb 0.17 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 1jrg h GLN 77 CO -0.01 0.89 0.11 -0.22 -1.93 0.00 0.00 178.83 177.68 1jrg h LYS 78 N 1.05 1.07 0.00 1.69 3.64 -0.34 -1.06 116.57 122.61 1jrg h LYS 78 Ca 0.24 -0.27 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 1jrg h LYS 78 Cb 0.23 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1jrg h LYS 78 CO -0.02 0.97 -0.48 0.00 -2.27 0.00 0.00 179.45 177.66 1jrg h ALA 79 N 1.11 0.72 0.00 5.00 0.00 -0.80 -3.40 119.26 121.89 1jrg h ALA 79 Ca 0.20 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1jrg h ALA 79 Cb 0.42 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1jrg h ALA 79 CO 0.01 0.53 -1.53 0.54 0.00 0.00 0.00 179.25 178.80 1jrg n ARG 80 N -3.18 1.88 0.03 0.00 1.74 -0.22 -4.78 116.66 112.14 1jrg n ARG 80 Ca 0.02 -0.03 0.12 0.00 -0.77 0.00 0.00 57.85 57.19 1jrg n ARG 80 Cb 0.71 -1.22 0.25 0.00 -1.02 0.00 0.00 32.46 31.18 1jrg n ARG 80 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1jrg n SER 81 N -2.16 0.56 -4.44 0.55 3.41 -0.41 -4.79 113.62 106.35 1jrg n SER 81 Ca -0.10 0.04 -0.44 0.00 -0.26 0.00 0.00 58.87 58.12 1jrg n SER 81 Cb 0.61 0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 64.58 1jrg n SER 81 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1jrg s GLN 82 N -3.09 3.09 -0.37 4.33 -1.52 -1.26 -1.26 119.66 119.58 1jrg s GLN 82 Ca 0.09 -0.96 -0.13 0.00 -1.95 0.00 0.00 55.36 52.40 1jrg s GLN 82 Cb 0.15 -4.08 0.00 0.00 -0.22 0.00 0.00 33.01 28.87 1jrg s GLN 82 CO 0.69 -1.11 0.25 0.42 -0.25 0.00 0.00 175.29 175.29 1jrg s ILE 83 N 2.32 5.12 0.04 1.08 -1.09 -0.59 -4.95 121.20 123.13 1jrg s ILE 83 Ca 0.12 -0.50 -0.30 0.00 -2.23 0.00 0.00 60.65 57.74 1jrg s ILE 83 Cb -0.20 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 36.89 1jrg s ILE 83 CO 0.11 -0.15 1.08 0.20 -1.23 0.00 0.00 174.94 174.94 1jrg s ASN 84 N 1.67 7.25 -0.24 3.58 0.01 -1.26 -0.78 114.94 125.17 1jrg s ASN 84 Ca 0.05 1.83 -0.11 0.00 -0.71 0.00 0.00 52.86 53.92 1jrg s ASN 84 Cb -0.18 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 38.85 1jrg s ASN 84 CO 0.09 -0.34 0.20 -0.63 -1.51 0.00 0.00 177.10 174.92 1jrg s ILE 85 N 0.94 5.32 0.84 0.60 -1.09 0.98 -4.91 121.20 123.88 1jrg s ILE 85 Ca 0.54 0.26 -0.13 0.00 -2.23 0.00 0.00 60.65 59.09 1jrg s ILE 85 Cb -0.25 -3.54 0.19 0.00 -1.58 0.00 0.00 42.46 37.28 1jrg s ILE 85 CO 0.29 0.31 1.14 -0.81 -1.23 0.00 0.00 174.94 174.64 1jrg n PRO 86 N 4.50 -1.03 -1.54 2.79 -0.04 -1.26 -4.41 135.00 134.02 1jrg n PRO 86 Ca -0.14 -1.88 -0.34 0.00 -0.04 0.00 0.00 63.50 61.10 1jrg n PRO 86 Cb 0.52 -1.14 0.08 0.00 -0.04 0.00 0.00 33.50 32.92 1jrg n PRO 86 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jrg s ALA 87 N -3.88 2.21 -1.28 0.55 0.00 -1.26 -3.83 121.76 114.27 1jrg s ALA 87 Ca 0.66 0.88 -0.08 0.00 0.00 0.00 0.00 51.96 53.42 1jrg s ALA 87 Cb -0.02 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 19.64 1jrg s ALA 87 CO 0.46 -1.73 0.61 0.09 0.00 0.00 0.00 175.76 175.19 1jrg n ASN 88 N -2.53 -2.40 -4.21 0.00 3.02 -0.64 -4.43 115.26 104.07 1jrg n ASN 88 Ca 0.13 -0.98 -0.27 0.00 -0.03 0.00 0.00 54.58 53.43 1jrg n ASN 88 Cb 0.50 -3.35 -0.16 0.00 -0.61 0.00 0.00 39.78 36.17 1jrg n ASN 88 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1jrg s THR 89 N -3.72 1.62 -0.19 3.41 2.01 -1.05 -1.69 115.64 116.04 1jrg s THR 89 Ca 0.19 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.33 1jrg s THR 89 Cb -0.07 -1.35 0.03 0.00 0.01 0.00 0.00 72.50 71.12 1jrg s THR 89 CO 0.87 0.46 -0.14 -0.89 -0.69 0.00 0.00 174.62 174.23 1jrg s THR 90 N -0.41 1.76 -0.33 -0.82 2.01 -0.87 -0.54 115.64 116.45 1jrg s THR 90 Ca 0.06 -0.94 -0.07 0.00 0.31 0.00 0.00 61.69 61.05 1jrg s THR 90 Cb -0.09 -1.73 0.03 0.00 0.01 0.00 0.00 72.50 70.73 1jrg s THR 90 CO -0.00 0.32 0.11 -0.69 -0.69 0.00 0.00 174.62 173.66 1jrg s VAL 91 N 1.37 3.92 -0.07 3.82 1.01 0.78 -0.62 120.40 130.61 1jrg s VAL 91 Ca 0.01 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.03 1jrg s VAL 91 Cb -0.15 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 33.09 1jrg s VAL 91 CO -0.10 -0.11 -0.10 -0.51 0.00 0.00 0.00 175.10 174.29 1jrg s ILE 92 N 1.45 1.00 0.29 2.22 -1.16 -0.54 0.51 121.20 124.97 1jrg s ILE 92 Ca -0.00 -0.36 -0.27 0.00 -0.51 0.00 0.00 60.65 59.51 1jrg s ILE 92 Cb -0.19 -0.96 -0.10 0.00 0.61 0.00 0.00 42.46 41.83 1jrg s ILE 92 CO 0.03 0.34 0.94 -0.83 -2.81 0.00 0.00 174.94 172.61 1jrg s GLY 93 N 1.00 2.90 0.11 1.50 0.00 0.27 -0.77 107.32 112.34 1jrg s GLY 93 Ca -0.08 0.55 -0.10 0.00 0.00 0.00 0.00 44.72 45.08 1jrg s GLY 93 CO -0.00 1.03 0.44 1.08 0.00 0.00 0.00 173.10 175.64 1jrg s LEU 94 N -1.77 4.32 0.00 0.66 1.43 0.54 -4.82 118.68 119.03 1jrg s LEU 94 Ca 0.47 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 54.39 1jrg s LEU 94 Cb -0.21 -3.14 0.00 0.00 0.03 0.00 0.00 46.19 42.87 1jrg s LEU 94 CO 0.26 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.57 1jrg n GLY 95 N 0.67 0.79 0.30 -3.19 0.00 -1.26 -3.58 105.19 98.93 1jrg n GLY 95 Ca -0.06 -0.69 0.03 0.00 0.00 0.00 0.00 46.02 45.30 1jrg n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jrg n THR 96 N 0.00 0.39 -0.97 2.61 -2.24 -1.26 -4.36 114.28 108.45 1jrg n THR 96 Ca 0.00 -0.70 0.08 0.00 -2.27 0.00 0.00 64.05 61.16 1jrg n THR 96 Cb 0.00 0.89 0.11 0.00 -2.10 0.00 0.00 70.33 69.23 1jrg n THR 96 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1jrg n ASP 97 N 0.25 2.13 -4.71 3.42 5.75 -1.26 -4.57 116.55 117.56 1jrg n ASP 97 Ca 0.05 -2.84 -0.42 0.00 -0.01 0.00 0.00 54.79 51.57 1jrg n ASP 97 Cb 0.23 -0.35 -0.03 0.00 -1.03 0.00 0.00 41.12 39.95 1jrg n ASP 97 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jrg s ALA 98 N -2.40 3.41 0.20 2.12 0.00 -1.23 -4.17 121.76 119.68 1jrg s ALA 98 Ca 0.25 0.87 -0.23 0.00 0.00 0.00 0.00 51.96 52.86 1jrg s ALA 98 Cb 0.22 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.94 1jrg s ALA 98 CO 0.02 -0.44 0.68 -1.59 0.00 0.00 0.00 175.76 174.43 1jrg s LYS 99 N 1.00 1.46 -0.04 0.00 -2.85 -0.12 -1.88 119.74 117.30 1jrg s LYS 99 Ca 0.59 -0.68 0.06 0.00 -1.00 0.00 0.00 55.97 54.95 1jrg s LYS 99 Cb -0.30 0.58 -0.01 0.00 -2.06 0.00 0.00 37.83 36.04 1jrg s LYS 99 CO 0.30 -0.65 -0.23 -0.06 0.10 0.00 0.00 175.35 174.80 1jrg s PHE 100 N -3.77 2.19 0.10 1.78 0.08 0.17 -0.27 117.98 118.27 1jrg s PHE 100 Ca 0.06 -0.55 0.02 0.00 0.12 0.00 0.00 56.93 56.57 1jrg s PHE 100 Cb -0.03 -1.43 -0.04 0.00 -0.57 0.00 0.00 43.02 40.95 1jrg s PHE 100 CO -0.04 -0.13 -0.06 0.96 -0.10 0.00 0.00 175.22 175.85 1jrg s ILE 101 N -0.30 0.68 -1.70 0.64 -4.36 -0.72 -1.11 121.20 114.33 1jrg s ILE 101 Ca 0.02 -1.94 -0.01 0.00 -0.26 0.00 0.00 60.65 58.46 1jrg s ILE 101 Cb -0.11 -1.71 0.00 0.00 1.25 0.00 0.00 42.46 41.89 1jrg s ILE 101 CO 0.01 -0.85 0.18 0.59 0.24 0.00 0.00 174.94 175.11 1jrg n ASN 102 N -0.05 -5.95 -2.60 4.36 3.02 -1.26 -1.33 115.26 111.45 1jrg n ASN 102 Ca -0.12 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 1jrg n ASN 102 Cb 0.61 -4.90 0.01 0.00 -0.61 0.00 0.00 39.78 34.89 1jrg n ASN 102 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jrg n GLY 103 N -1.17 0.60 3.16 7.41 0.00 -1.26 -4.04 105.19 109.89 1jrg n GLY 103 Ca -0.21 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.59 1jrg n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jrg s SER 104 N -2.64 1.83 -0.24 1.61 0.01 -0.39 -4.32 113.70 109.57 1jrg s SER 104 Ca 0.17 -0.41 -0.10 0.00 1.31 0.00 0.00 55.95 56.91 1jrg s SER 104 Cb -0.01 -0.15 -0.05 0.00 0.21 0.00 0.00 66.02 66.02 1jrg s SER 104 CO 0.01 0.10 0.15 -0.76 0.41 0.00 0.00 173.24 173.15 1jrg s LEU 105 N -0.90 4.02 -0.17 2.44 1.43 -0.30 -1.54 118.68 123.66 1jrg s LEU 105 Ca 0.04 0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.20 1jrg s LEU 105 Cb -0.07 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.07 1jrg s LEU 105 CO 0.01 0.05 -0.14 -0.63 0.23 0.00 0.00 176.35 175.87 1jrg s ILE 106 N 1.14 2.73 -0.62 -0.59 -1.09 0.04 -2.07 121.20 120.74 1jrg s ILE 106 Ca 0.07 -0.74 -0.11 0.00 -2.23 0.00 0.00 60.65 57.64 1jrg s ILE 106 Cb -0.14 -2.17 0.16 0.00 -1.58 0.00 0.00 42.46 38.73 1jrg s ILE 106 CO 0.05 0.50 0.52 -0.63 -1.23 0.00 0.00 174.94 174.15 1jrg s ILE 107 N 1.01 4.75 -0.30 2.92 -1.09 -0.39 -0.01 121.20 128.09 1jrg s ILE 107 Ca -0.01 -2.13 -0.10 0.00 -2.23 0.00 0.00 60.65 56.18 1jrg s ILE 107 Cb -0.15 -4.04 -0.02 0.00 -1.58 0.00 0.00 42.46 36.67 1jrg s ILE 107 CO -0.03 -0.89 0.16 -0.62 -1.23 0.00 0.00 174.94 172.34 1jrg s ASP 108 N 2.38 5.70 -0.02 3.58 -1.08 -1.26 -0.63 116.67 125.33 1jrg s ASP 108 Ca 0.11 -0.32 0.02 0.00 -0.52 0.00 0.00 52.55 51.84 1jrg s ASP 108 Cb -0.21 -2.05 0.10 0.00 -1.46 0.00 0.00 42.92 39.31 1jrg s ASP 108 CO -0.03 -0.14 0.84 0.61 0.52 0.00 0.00 175.17 176.97 1jrg n GLY 109 N 5.02 0.77 0.31 2.66 0.00 0.14 -3.88 105.19 110.21 1jrg n GLY 109 Ca -0.14 -0.12 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 1jrg n GLY 109 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jrg h THR 110 N 0.57 1.26 -0.39 2.61 2.02 -1.81 -1.87 112.91 115.30 1jrg h THR 110 Ca 0.00 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.15 1jrg h THR 110 Cb 0.47 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1jrg h THR 110 CO 0.04 0.38 0.00 -0.90 0.37 0.00 0.00 175.52 175.41 1jrg n ASP 111 N -4.21 2.33 0.00 4.18 5.68 -1.26 -4.86 116.55 118.41 1jrg n ASP 111 Ca 0.04 -2.06 0.00 0.00 -0.50 0.00 0.00 54.79 52.27 1jrg n ASP 111 Cb 0.29 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 1jrg n ASP 111 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jrg n GLY 112 N 1.05 0.78 3.60 6.12 0.00 -0.70 -5.01 105.19 111.02 1jrg n GLY 112 Ca 0.14 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.67 1jrg n GLY 112 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jrg n THR 113 N -2.41 0.72 -3.62 2.61 -1.04 -1.25 -4.90 114.28 104.39 1jrg n THR 113 Ca 0.00 -0.18 -0.06 0.00 -2.04 0.00 0.00 64.05 61.77 1jrg n THR 113 Cb 0.00 -0.95 -0.02 0.00 -1.82 0.00 0.00 70.33 67.54 1jrg n THR 113 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1jrg s ASN 114 N 0.15 -0.27 -0.67 8.00 2.20 -1.26 -3.89 114.94 119.20 1jrg s ASN 114 Ca 0.75 -0.18 -0.02 0.00 -0.94 0.00 0.00 52.86 52.46 1jrg s ASN 114 Cb -0.84 0.42 -0.03 0.00 -2.00 0.00 0.00 41.25 38.81 1jrg s ASN 114 CO 0.50 -0.73 0.61 -3.20 -2.94 0.00 0.00 177.10 171.34 1jrg n ASN 115 N -0.35 -5.85 -4.17 3.54 5.15 -0.89 -1.88 115.26 110.82 1jrg n ASN 115 Ca -0.07 -0.31 -0.26 0.00 -0.60 0.00 0.00 54.58 53.34 1jrg n ASN 115 Cb 0.61 -4.09 -0.16 0.00 -0.53 0.00 0.00 39.78 35.61 1jrg n ASN 115 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1jrg s VAL 116 N -3.15 1.50 -0.13 3.44 1.01 -0.90 -1.61 120.40 120.55 1jrg s VAL 116 Ca 0.18 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1jrg s VAL 116 Cb -0.02 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.11 1jrg s VAL 116 CO 0.55 0.43 -0.13 -0.63 0.00 0.00 0.00 175.10 175.32 1jrg s ILE 117 N -0.16 1.46 -0.19 2.22 1.01 0.30 -1.68 121.20 124.15 1jrg s ILE 117 Ca 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 60.65 60.06 1jrg s ILE 117 Cb -0.10 -1.37 -0.00 0.00 0.01 0.00 0.00 42.46 41.00 1jrg s ILE 117 CO 0.01 0.44 -0.11 -0.63 0.00 0.00 0.00 174.94 174.65 1jrg s ILE 118 N 1.36 2.89 -0.04 2.92 -1.09 -0.73 -0.16 121.20 126.34 1jrg s ILE 118 Ca 0.01 -0.67 -0.10 0.00 -2.23 0.00 0.00 60.65 57.67 1jrg s ILE 118 Cb -0.13 -2.27 0.02 0.00 -1.58 0.00 0.00 42.46 38.49 1jrg s ILE 118 CO -0.07 0.48 0.23 -0.60 -1.23 0.00 0.00 174.94 173.74 1jrg s ARG 119 N 1.24 0.44 -1.50 2.79 3.52 0.18 -2.21 118.95 123.42 1jrg s ARG 119 Ca 0.03 -0.01 -0.11 0.00 -0.13 0.00 0.00 55.73 55.51 1jrg s ARG 119 Cb -0.14 0.20 0.07 0.00 -1.56 0.00 0.00 34.95 33.52 1jrg s ARG 119 CO -0.05 -0.10 0.91 -1.71 -0.81 0.00 0.00 175.30 173.54 1jrg n ASN 120 N 2.09 -3.94 -4.11 -2.12 5.15 -0.83 -0.56 115.26 110.93 1jrg n ASN 120 Ca -0.18 -0.80 -0.18 0.00 -0.60 0.00 0.00 54.58 52.82 1jrg n ASN 120 Cb 0.57 -3.85 -0.13 0.00 -0.53 0.00 0.00 39.78 35.84 1jrg n ASN 120 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1jrg s VAL 121 N -3.39 0.94 -0.23 3.44 -7.23 -1.23 -3.22 120.40 109.48 1jrg s VAL 121 Ca 0.52 -0.96 -0.11 0.00 -1.81 0.00 0.00 61.98 59.62 1jrg s VAL 121 Cb -0.26 -0.88 -0.05 0.00 0.56 0.00 0.00 36.38 35.75 1jrg s VAL 121 CO 0.83 -0.07 0.18 -0.47 -0.31 0.00 0.00 175.10 175.27 1jrg s TYR 122 N -0.90 3.32 -0.33 2.82 5.04 -0.79 -1.81 117.35 124.70 1jrg s TYR 122 Ca -0.01 0.27 -0.03 0.00 -2.44 0.00 0.00 57.07 54.86 1jrg s TYR 122 Cb -0.08 -2.29 0.06 0.00 0.35 0.00 0.00 41.96 40.00 1jrg s TYR 122 CO 0.01 0.06 0.06 0.42 -1.34 0.00 0.00 175.55 174.77 1jrg s ILE 123 N 1.06 3.23 -0.16 3.14 -1.09 0.16 0.46 121.20 128.00 1jrg s ILE 123 Ca 0.09 -1.46 -0.28 0.00 -2.23 0.00 0.00 60.65 56.78 1jrg s ILE 123 Cb -0.14 -2.92 -0.01 0.00 -1.58 0.00 0.00 42.46 37.81 1jrg s ILE 123 CO 0.05 -0.24 0.94 -1.58 -1.23 0.00 0.00 174.94 172.88 1jrg s GLN 124 N 1.27 4.33 0.15 2.79 0.74 -0.26 -2.71 119.66 125.95 1jrg s GLN 124 Ca -0.02 1.22 -0.34 0.00 0.05 0.00 0.00 55.36 56.27 1jrg s GLN 124 Cb -0.20 -3.58 -0.15 0.00 1.10 0.00 0.00 33.01 30.17 1jrg s GLN 124 CO -0.01 -0.40 1.33 0.25 -0.55 0.00 0.00 175.29 175.92 1jrg n THR 125 N 4.82 0.41 -2.10 -0.34 -2.24 -0.58 -4.28 114.28 109.97 1jrg n THR 125 Ca 0.08 -0.10 -0.34 0.00 -2.27 0.00 0.00 64.05 61.41 1jrg n THR 125 Cb 0.48 -1.04 0.02 0.00 -2.10 0.00 0.00 70.33 67.69 1jrg n THR 125 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1jrg s PRO 126 N 0.16 3.20 -0.27 -0.78 0.04 -1.26 -4.80 135.00 131.29 1jrg s PRO 126 Ca 0.78 1.50 -0.09 0.00 0.04 0.00 0.00 61.00 63.23 1jrg s PRO 126 Cb -0.83 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 31.68 1jrg s PRO 126 CO 0.47 -0.95 0.14 0.42 0.04 0.00 0.00 177.00 177.12 1jrg s ILE 127 N -2.01 4.83 -0.45 0.56 1.01 -1.26 -4.61 121.20 119.27 1jrg s ILE 127 Ca 0.70 -0.04 -0.28 0.00 0.00 0.00 0.00 60.65 61.02 1jrg s ILE 127 Cb -0.22 -3.31 0.01 0.00 0.01 0.00 0.00 42.46 38.95 1jrg s ILE 127 CO 0.32 0.26 1.44 -0.62 0.00 0.00 0.00 174.94 176.33 1jrg s ASP 128 N 1.68 6.24 0.58 3.58 3.68 -0.18 -4.88 116.67 127.37 1jrg s ASP 128 Ca 0.06 0.69 0.30 0.00 2.13 0.00 0.00 52.55 55.74 1jrg s ASP 128 Cb -0.16 -2.54 1.76 0.00 -1.45 0.00 0.00 42.92 40.53 1jrg s ASP 128 CO 0.07 -1.54 2.21 -0.37 0.13 0.00 0.00 175.17 175.68 1jrg h VAL 129 N 6.47 0.50 -2.35 1.11 -1.51 -1.91 -3.34 116.25 115.22 1jrg h VAL 129 Ca -0.27 -0.16 -0.59 0.00 -1.23 0.00 0.00 66.70 64.45 1jrg h VAL 129 Cb 1.11 1.10 -0.39 0.00 -2.13 0.00 0.00 31.29 30.98 1jrg h VAL 129 CO 1.11 0.03 -0.96 1.21 -1.23 0.00 0.00 177.57 177.73 1jrg n GLU 130 N -3.73 0.44 -2.00 5.19 2.13 -1.26 -4.95 120.64 116.46 1jrg n GLU 130 Ca -0.03 -3.31 -0.36 0.00 0.66 0.00 0.00 57.16 54.13 1jrg n GLU 130 Cb 0.13 -1.65 0.03 0.00 0.27 0.00 0.00 31.44 30.22 1jrg n GLU 130 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1jrg s PRO 131 N -0.32 2.96 -0.07 5.31 0.02 -1.25 -4.72 135.00 136.92 1jrg s PRO 131 Ca 0.33 1.83 -0.13 0.00 0.02 0.00 0.00 61.00 63.04 1jrg s PRO 131 Cb 0.06 -1.93 -0.05 0.00 0.02 0.00 0.00 34.50 32.60 1jrg s PRO 131 CO -0.18 -1.22 0.34 -3.38 -0.33 0.00 0.00 177.00 172.23 1jrg s HIS 132 N -1.60 3.62 -0.11 6.54 -3.43 -0.62 -4.80 115.29 114.88 1jrg s HIS 132 Ca 0.77 0.80 -0.30 0.00 -0.80 0.00 0.00 55.06 55.54 1jrg s HIS 132 Cb -0.30 -2.27 -0.02 0.00 -1.43 0.00 0.00 32.58 28.56 1jrg s HIS 132 CO 0.33 0.51 1.27 -0.47 -2.00 0.00 0.00 174.74 174.38 1jrg s TYR 133 N -0.51 2.92 0.54 0.38 5.04 -1.26 -0.35 117.35 124.11 1jrg s TYR 133 Ca 0.20 1.03 -0.07 0.00 -2.44 0.00 0.00 57.07 55.80 1jrg s TYR 133 Cb -0.15 -3.50 -0.03 0.00 0.35 0.00 0.00 41.96 38.63 1jrg s TYR 133 CO 0.09 -1.71 0.87 -1.21 -1.34 0.00 0.00 175.55 172.25 1jrg s GLU 134 N 3.03 3.46 -0.15 4.97 0.41 -0.48 -4.86 118.70 125.08 1jrg s GLU 134 Ca 0.56 0.33 -0.02 0.00 -0.41 0.00 0.00 54.97 55.43 1jrg s GLU 134 Cb -0.24 -2.28 -0.05 0.00 -1.78 0.00 0.00 34.13 29.79 1jrg s GLU 134 CO 0.18 -0.38 1.17 0.36 -0.49 0.00 0.00 175.26 176.10 1jrg n LYS 135 N -2.45 0.00 -0.59 1.61 2.85 -1.26 -1.72 118.16 116.60 1jrg n LYS 135 Ca 0.03 -0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 1jrg n LYS 135 Cb 0.55 -1.07 0.00 0.00 -0.65 0.00 0.00 35.03 33.86 1jrg n LYS 135 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1jrg n GLY 136 N 4.66 0.00 2.93 2.58 0.00 -1.26 -4.90 105.19 109.20 1jrg n GLY 136 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1jrg n GLY 136 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1jrg s ASP 137 N -1.98 4.47 0.09 1.61 1.47 -0.70 -5.10 116.67 116.53 1jrg s ASP 137 Ca 0.00 -2.21 0.00 0.00 1.18 0.00 0.00 52.55 51.52 1jrg s ASP 137 Cb 0.00 -1.43 0.00 0.00 -0.34 0.00 0.00 42.92 41.15 1jrg s ASP 137 CO 0.00 -0.36 0.00 0.61 0.68 0.00 0.00 175.17 176.10 1jrg n GLY 138 N 4.16 -0.43 3.87 2.12 0.00 -1.26 -4.11 105.19 109.53 1jrg n GLY 138 Ca 0.03 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1jrg n GLY 138 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jrg s TRP 139 N -1.23 3.60 -0.24 1.61 0.52 -1.26 -1.38 118.94 120.56 1jrg s TRP 139 Ca 0.00 0.74 -0.04 0.00 0.02 0.00 0.00 56.10 56.82 1jrg s TRP 139 Cb 0.00 -2.11 0.01 0.00 -1.15 0.00 0.00 33.47 30.21 1jrg s TRP 139 CO 0.00 0.58 -0.03 1.21 0.02 0.00 0.00 176.95 178.73 1jrg s ASN 140 N -1.61 4.43 0.33 2.95 2.47 0.52 -4.40 114.94 119.64 1jrg s ASN 140 Ca 0.29 -0.61 -0.19 0.00 0.42 0.00 0.00 52.86 52.77 1jrg s ASN 140 Cb -0.14 -1.74 -0.10 0.00 -1.45 0.00 0.00 41.25 37.83 1jrg s ASN 140 CO 0.16 -0.09 0.83 0.00 -3.72 0.00 0.00 177.10 174.28 1jrg s ALA 141 N 1.43 3.24 -0.08 1.71 0.00 -1.24 -1.59 121.76 125.24 1jrg s ALA 141 Ca 0.03 0.25 0.11 0.00 0.00 0.00 0.00 51.96 52.36 1jrg s ALA 141 Cb -0.16 -2.96 -0.17 0.00 0.00 0.00 0.00 23.12 19.84 1jrg s ALA 141 CO -0.03 0.25 0.14 -1.91 0.00 0.00 0.00 175.76 174.21 1jrg n GLU 142 N -0.06 1.38 -4.02 0.00 4.07 -1.26 -4.63 120.64 116.11 1jrg n GLU 142 Ca 0.03 -0.05 -0.35 0.00 -0.06 0.00 0.00 57.16 56.73 1jrg n GLU 142 Cb 0.52 -1.30 -0.07 0.00 -0.06 0.00 0.00 31.44 30.54 1jrg n GLU 142 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 1jrg s TRP 143 N -2.53 3.45 0.88 4.31 0.52 -1.26 -4.94 118.94 119.36 1jrg s TRP 143 Ca -0.05 0.37 -0.12 0.00 0.02 0.00 0.00 56.10 56.32 1jrg s TRP 143 Cb 0.05 -1.85 0.16 0.00 -1.15 0.00 0.00 33.47 30.68 1jrg s TRP 143 CO 0.50 0.64 1.22 0.34 0.02 0.00 0.00 176.95 179.67 1jrg s ASP 144 N -1.30 3.67 -0.23 2.95 -1.08 -1.26 -3.55 116.67 115.87 1jrg s ASP 144 Ca 0.18 0.24 -0.05 0.00 -0.52 0.00 0.00 52.55 52.41 1jrg s ASP 144 Cb -0.12 -0.46 -0.12 0.00 -1.46 0.00 0.00 42.92 40.76 1jrg s ASP 144 CO 0.08 -2.37 -0.25 0.00 0.52 0.00 0.00 175.17 173.15 1jrg n ALA 145 N -3.47 1.49 -3.70 3.66 0.00 -0.94 -4.26 120.51 113.30 1jrg n ALA 145 Ca 0.14 -0.95 -0.11 0.00 0.00 0.00 0.00 53.44 52.52 1jrg n ALA 145 Cb 0.60 0.09 -0.12 0.00 0.00 0.00 0.00 19.45 20.02 1jrg n ALA 145 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1jrg s MET 146 N -2.44 0.29 -0.10 0.00 -2.45 -0.89 -1.15 119.30 112.57 1jrg s MET 146 Ca -0.32 0.73 0.02 0.00 -1.25 0.00 0.00 55.69 54.87 1jrg s MET 146 Cb 0.10 -0.01 0.01 0.00 1.25 0.00 0.00 34.83 36.18 1jrg s MET 146 CO 0.46 -0.19 -0.15 1.21 1.05 0.00 0.00 175.02 177.41 1jrg s ASN 147 N 1.64 2.34 -0.30 1.11 3.04 -0.88 -1.44 114.94 120.44 1jrg s ASN 147 Ca -0.07 -0.40 -0.09 0.00 0.04 0.00 0.00 52.86 52.33 1jrg s ASN 147 Cb -0.10 -1.05 -0.01 0.00 -1.54 0.00 0.00 41.25 38.56 1jrg s ASN 147 CO -0.11 0.02 0.14 -0.63 -3.04 0.00 0.00 177.10 173.48 1jrg s ILE 148 N 0.93 4.53 0.22 -5.21 -1.09 0.87 -1.26 121.20 120.19 1jrg s ILE 148 Ca -0.08 -0.42 -0.00 0.00 -2.23 0.00 0.00 60.65 57.92 1jrg s ILE 148 Cb -0.15 -3.29 -0.04 0.00 -1.58 0.00 0.00 42.46 37.39 1jrg s ILE 148 CO -0.00 0.09 0.12 0.28 -1.23 0.00 0.00 174.94 174.20 1jrg s THR 149 N 1.60 0.20 -0.86 2.92 -1.32 0.19 -1.39 115.64 117.00 1jrg s THR 149 Ca 0.05 -2.00 -0.04 0.00 -1.21 0.00 0.00 61.69 58.49 1jrg s THR 149 Cb -0.17 -2.54 0.00 0.00 -1.51 0.00 0.00 72.50 68.28 1jrg s THR 149 CO 0.06 -0.01 0.64 0.59 -2.21 0.00 0.00 174.62 173.69 1jrg n ASN 150 N -0.34 -5.33 0.00 8.08 3.02 -1.23 -0.69 115.26 118.78 1jrg n ASN 150 Ca 0.01 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 1jrg n ASN 150 Cb 0.66 -2.39 0.00 0.00 -0.61 0.00 0.00 39.78 37.44 1jrg n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jrg n GLY 151 N -1.71 0.26 3.65 7.41 0.00 -0.01 -2.66 105.19 112.13 1jrg n GLY 151 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1jrg n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrg s ALA 152 N -1.67 3.52 0.25 4.61 0.00 -1.11 -4.72 121.76 122.65 1jrg s ALA 152 Ca 0.00 0.98 0.11 0.00 0.00 0.00 0.00 51.96 53.05 1jrg s ALA 152 Cb 0.00 -3.80 -0.05 0.00 0.00 0.00 0.00 23.12 19.27 1jrg s ALA 152 CO 0.00 -1.58 -0.19 -3.38 0.00 0.00 0.00 175.76 170.61 1jrg s HIS 153 N 4.50 2.14 -0.46 0.00 -3.43 -1.25 -2.80 115.29 113.99 1jrg s HIS 153 Ca 0.78 -0.39 -0.05 0.00 -0.80 0.00 0.00 55.06 54.60 1jrg s HIS 153 Cb -0.35 -0.95 0.01 0.00 -1.43 0.00 0.00 32.58 29.86 1jrg s HIS 153 CO 0.33 0.61 0.50 0.72 -2.00 0.00 0.00 174.74 174.90 1jrg n HIS 154 N -0.49 -2.42 -4.73 0.38 8.25 -0.60 -2.09 115.22 113.52 1jrg n HIS 154 Ca -0.06 0.95 -0.25 0.00 -0.26 0.00 0.00 57.72 58.09 1jrg n HIS 154 Cb 0.60 -3.47 -0.16 0.00 1.12 0.00 0.00 29.99 28.07 1jrg n HIS 154 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1jrg s VAL 155 N -2.67 1.30 -0.18 1.59 1.01 -0.88 -2.11 120.40 118.47 1jrg s VAL 155 Ca 0.08 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1jrg s VAL 155 Cb -0.02 -1.15 0.03 0.00 0.00 0.00 0.00 36.38 35.25 1jrg s VAL 155 CO 0.57 0.39 -0.12 0.86 0.00 0.00 0.00 175.10 176.80 1jrg s TRP 156 N 0.28 2.35 -0.30 5.22 -0.00 -0.68 -1.76 118.94 124.05 1jrg s TRP 156 Ca -0.08 -1.47 -0.08 0.00 -0.00 0.00 0.00 56.10 54.47 1jrg s TRP 156 Cb -0.13 -1.64 -0.00 0.00 -0.00 0.00 0.00 33.47 31.70 1jrg s TRP 156 CO 0.03 -0.72 0.11 0.42 -0.00 0.00 0.00 176.95 176.79 1jrg s ILE 157 N 1.42 4.29 -0.02 5.86 -1.09 -0.24 -1.78 121.20 129.64 1jrg s ILE 157 Ca 0.01 -0.51 0.03 0.00 -2.23 0.00 0.00 60.65 57.96 1jrg s ILE 157 Cb -0.15 -3.17 -0.00 0.00 -1.58 0.00 0.00 42.46 37.56 1jrg s ILE 157 CO -0.09 0.11 -0.11 -0.62 -1.23 0.00 0.00 174.94 172.99 1jrg s ASP 158 N 1.56 1.42 -1.54 3.58 2.15 -0.94 -0.37 116.67 122.54 1jrg s ASP 158 Ca 0.04 -0.22 -0.07 0.00 0.43 0.00 0.00 52.55 52.73 1jrg s ASP 158 Cb -0.17 -0.31 0.06 0.00 -0.30 0.00 0.00 42.92 42.20 1jrg s ASP 158 CO 0.04 0.11 0.50 1.41 -0.17 0.00 0.00 175.17 177.06 1jrg n HIS 159 N 3.10 -1.63 -4.22 -5.34 8.25 -0.57 -1.97 115.22 112.86 1jrg n HIS 159 Ca -0.17 0.75 -0.32 0.00 -0.26 0.00 0.00 57.72 57.72 1jrg n HIS 159 Cb 0.55 -3.32 -0.08 0.00 1.12 0.00 0.00 29.99 28.25 1jrg n HIS 159 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1jrg s VAL 160 N -3.77 4.24 -0.11 1.59 1.01 -1.26 -1.98 120.40 120.12 1jrg s VAL 160 Ca 0.28 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.64 1jrg s VAL 160 Cb -0.15 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1jrg s VAL 160 CO 0.92 0.31 -0.23 -0.89 0.00 0.00 0.00 175.10 175.21 1jrg s THR 161 N -1.16 2.04 -0.12 3.92 2.01 -0.75 -1.05 115.64 120.53 1jrg s THR 161 Ca 0.22 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.24 1jrg s THR 161 Cb -0.12 -1.78 0.01 0.00 0.01 0.00 0.00 72.50 70.63 1jrg s THR 161 CO 0.13 0.55 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.80 1jrg s ILE 162 N 0.47 1.74 0.06 1.82 1.01 0.01 0.39 121.20 126.70 1jrg s ILE 162 Ca -0.16 -0.80 -0.21 0.00 0.00 0.00 0.00 60.65 59.49 1jrg s ILE 162 Cb -0.17 -1.56 0.05 0.00 0.01 0.00 0.00 42.46 40.78 1jrg s ILE 162 CO 0.06 0.49 0.49 -0.55 0.00 0.00 0.00 174.94 175.43 1jrg s SER 163 N 0.84 -0.40 0.49 3.58 0.15 -1.10 -0.84 113.70 116.42 1jrg s SER 163 Ca -0.09 0.09 0.27 0.00 0.70 0.00 0.00 55.95 56.92 1jrg s SER 163 Cb -0.15 0.48 1.23 0.00 -1.71 0.00 0.00 66.02 65.87 1jrg s SER 163 CO -0.00 -0.73 1.96 0.44 1.20 0.00 0.00 173.24 176.10 1jrg h ASP 164 N 2.74 0.00 0.00 5.45 3.45 -1.40 -1.54 116.42 125.12 1jrg h ASP 164 Ca -0.31 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.15 1jrg h ASP 164 Cb 1.22 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.99 1jrg h ASP 164 CO 0.42 0.16 0.00 0.61 -1.57 0.00 0.00 179.24 178.86 1jrg n GLY 165 N -0.27 3.44 0.33 2.75 0.00 -1.26 -2.11 105.19 108.08 1jrg n GLY 165 Ca -0.01 0.18 0.18 0.00 0.00 0.00 0.00 46.02 46.37 1jrg n GLY 165 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jrg h ASN 166 N 0.00 0.00 -3.19 1.61 2.35 -1.98 -3.32 115.58 111.05 1jrg h ASN 166 Ca 0.00 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.14 1jrg h ASN 166 Cb 0.00 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 37.97 1jrg h ASN 166 CO 0.00 0.00 -0.74 0.12 -1.65 0.00 0.00 177.43 175.16 1jrg s PHE 167 N -4.40 2.22 0.58 1.19 5.36 -0.90 -5.11 117.98 116.93 1jrg s PHE 167 Ca -0.05 -2.65 -0.08 0.00 -0.96 0.00 0.00 56.93 53.19 1jrg s PHE 167 Cb 0.13 -1.91 -0.02 0.00 -0.34 0.00 0.00 43.02 40.88 1jrg s PHE 167 CO 0.46 -0.73 0.94 0.95 -1.46 0.00 0.00 175.22 175.38 1jrg s THR 168 N -0.17 4.45 0.63 0.12 -4.23 -1.25 -4.81 115.64 110.38 1jrg s THR 168 Ca 0.23 0.47 0.34 0.00 -1.18 0.00 0.00 61.69 61.55 1jrg s THR 168 Cb -0.14 -3.75 0.38 0.00 1.34 0.00 0.00 72.50 70.33 1jrg s THR 168 CO -0.08 -0.88 2.18 0.44 -0.54 0.00 0.00 174.62 175.74 1jrg h ASP 169 N -0.17 0.00 0.34 3.99 5.19 -1.93 -0.37 116.42 123.47 1jrg h ASP 169 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 1jrg h ASP 169 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1jrg h ASP 169 CO 0.62 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.84 1jrg n ASP 170 N -3.41 0.00 -0.95 6.45 5.75 -1.26 -1.38 116.55 121.75 1jrg n ASP 170 Ca -0.01 0.40 0.11 0.00 -0.01 0.00 0.00 54.79 55.28 1jrg n ASP 170 Cb 0.22 -0.45 0.13 0.00 -1.03 0.00 0.00 41.12 40.00 1jrg n ASP 170 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1jrg n MET 171 N -1.45 2.16 -1.77 0.11 2.81 -0.15 -4.98 117.12 113.86 1jrg n MET 171 Ca 0.03 -1.95 -0.38 0.00 -1.81 0.00 0.00 57.70 53.59 1jrg n MET 171 Cb 0.12 -1.44 0.05 0.00 -0.71 0.00 0.00 33.22 31.25 1jrg n MET 171 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 1jrg s TYR 172 N -1.63 2.18 0.36 2.03 2.02 -0.48 -5.02 117.35 116.80 1jrg s TYR 172 Ca 0.29 1.43 0.07 0.00 -0.37 0.00 0.00 57.07 58.49 1jrg s TYR 172 Cb 0.19 -3.75 -0.01 0.00 -0.40 0.00 0.00 41.96 37.99 1jrg s TYR 172 CO 0.28 -2.91 0.41 0.95 -1.57 0.00 0.00 175.55 172.71 1jrg s THR 173 N -1.35 3.57 -0.10 -0.71 -4.23 -1.26 -4.91 115.64 106.64 1jrg s THR 173 Ca 0.77 -1.16 0.01 0.00 -1.18 0.00 0.00 61.69 60.13 1jrg s THR 173 Cb -0.39 -3.23 -0.02 0.00 1.34 0.00 0.00 72.50 70.21 1jrg s THR 173 CO 0.43 -0.12 -0.12 0.42 -0.54 0.00 0.00 174.62 174.69 1jrg s THR 174 N -2.28 3.18 -0.07 3.99 -4.23 -1.26 0.40 115.64 115.37 1jrg s THR 174 Ca 0.45 -0.64 0.03 0.00 -1.18 0.00 0.00 61.69 60.36 1jrg s THR 174 Cb -0.08 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.45 1jrg s THR 174 CO 0.29 0.55 -0.18 -0.75 -0.54 0.00 0.00 174.62 173.99 1jrg s LYS 175 N -0.05 2.27 -1.46 3.99 2.20 0.76 -4.73 119.74 122.71 1jrg s LYS 175 Ca -0.02 -0.65 -0.08 0.00 -0.36 0.00 0.00 55.97 54.86 1jrg s LYS 175 Cb -0.14 -1.81 0.02 0.00 -1.51 0.00 0.00 37.83 34.39 1jrg s LYS 175 CO 0.04 0.14 0.87 -0.25 -0.36 0.00 0.00 175.35 175.79 1jrg n ASP 176 N 3.54 -5.98 -0.07 1.43 8.00 -1.26 -1.89 116.55 120.32 1jrg n ASP 176 Ca -0.20 -0.44 -0.01 0.00 0.71 0.00 0.00 54.79 54.85 1jrg n ASP 176 Cb 0.52 -4.77 -0.00 0.00 -0.02 0.00 0.00 41.12 36.85 1jrg n ASP 176 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jrg n GLY 177 N -1.72 0.36 3.29 0.44 0.00 -1.26 -5.00 105.19 101.30 1jrg n GLY 177 Ca -0.04 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 1jrg n GLY 177 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jrg s GLU 178 N -1.08 1.14 0.13 1.61 0.41 -0.79 -5.10 118.70 115.02 1jrg s GLU 178 Ca 0.00 -1.20 -0.31 0.00 -0.41 0.00 0.00 54.97 53.05 1jrg s GLU 178 Cb 0.00 -1.37 -0.08 0.00 -1.78 0.00 0.00 34.13 30.90 1jrg s GLU 178 CO 0.00 0.31 1.35 0.99 -0.49 0.00 0.00 175.26 177.43 1jrg s THR 179 N -1.30 3.36 -1.21 3.63 2.01 -1.26 -0.17 115.64 120.69 1jrg s THR 179 Ca 0.08 1.00 -0.17 0.00 0.31 0.00 0.00 61.69 62.91 1jrg s THR 179 Cb -0.09 -3.64 0.10 0.00 0.01 0.00 0.00 72.50 68.88 1jrg s THR 179 CO 0.05 0.09 1.57 -0.47 -0.69 0.00 0.00 174.62 175.17 1jrg s TYR 180 N 0.89 2.99 -0.06 4.92 6.04 0.16 -3.98 117.35 128.31 1jrg s TYR 180 Ca 0.62 -1.67 -0.30 0.00 0.04 0.00 0.00 57.07 55.77 1jrg s TYR 180 Cb -0.36 -4.59 -0.05 0.00 -1.04 0.00 0.00 41.96 35.92 1jrg s TYR 180 CO 0.32 -1.68 1.59 0.08 -1.54 0.00 0.00 175.55 174.31 1jrg s VAL 181 N 3.44 3.66 -0.37 3.14 1.01 -1.26 -4.41 120.40 125.60 1jrg s VAL 181 Ca 0.48 0.83 0.04 0.00 0.00 0.00 0.00 61.98 63.32 1jrg s VAL 181 Cb 0.01 -3.53 0.07 0.00 0.00 0.00 0.00 36.38 32.92 1jrg s VAL 181 CO 0.02 -0.07 0.86 0.00 0.00 0.00 0.00 175.10 175.92 1jrg n GLN 182 N 6.91 1.32 -4.77 2.72 6.02 -1.26 -3.59 117.38 124.73 1jrg n GLN 182 Ca 0.17 -1.22 -0.33 0.00 -0.01 0.00 0.00 57.00 55.60 1jrg n GLN 182 Cb 0.43 -1.08 -0.12 0.00 1.02 0.00 0.00 30.24 30.49 1jrg n GLN 182 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1jrg s HIS 183 N -0.67 2.79 0.00 1.08 3.76 -1.26 -1.02 115.29 119.97 1jrg s HIS 183 Ca 0.06 -0.09 0.00 0.00 -0.15 0.00 0.00 55.06 54.88 1jrg s HIS 183 Cb 0.03 -1.65 0.00 0.00 1.11 0.00 0.00 32.58 32.07 1jrg s HIS 183 CO 0.05 0.25 0.00 -3.47 -0.85 0.00 0.00 174.74 170.72 1jrg n ASP 184 N 2.22 0.00 -4.97 1.40 2.03 -1.23 -4.48 116.55 111.52 1jrg n ASP 184 Ca -0.17 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 54.93 1jrg n ASP 184 Cb 0.52 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.91 1jrg n ASP 184 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1jrg s GLY 185 N 0.00 1.38 -0.03 0.27 0.00 -1.26 -4.45 107.32 103.23 1jrg s GLY 185 Ca 0.00 -1.27 -0.01 0.00 0.00 0.00 0.00 44.72 43.44 1jrg s GLY 185 CO 0.00 -1.23 -0.02 0.00 0.00 0.00 0.00 173.10 171.85 1jrg h ALA 186 N 0.98 0.00 -3.23 3.20 0.00 -0.84 -3.27 119.26 116.09 1jrg h ALA 186 Ca -0.49 -0.13 -0.55 0.00 0.00 0.00 0.00 54.91 53.74 1jrg h ALA 186 Cb 1.24 0.05 -0.35 0.00 0.00 0.00 0.00 17.79 18.73 1jrg h ALA 186 CO 0.58 0.05 -0.82 -1.17 0.00 0.00 0.00 179.25 177.89 1jrg s LEU 187 N -5.32 1.51 -0.12 0.00 2.96 -0.61 -2.09 118.68 115.00 1jrg s LEU 187 Ca -0.02 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 1jrg s LEU 187 Cb 0.00 -0.97 -0.01 0.00 0.50 0.00 0.00 46.19 45.71 1jrg s LEU 187 CO 0.02 -0.04 -0.15 -1.81 -1.32 0.00 0.00 176.35 173.05 1jrg s ASP 188 N 1.28 3.88 -0.24 3.68 1.11 -0.52 -2.61 116.67 123.25 1jrg s ASP 188 Ca -0.02 -0.35 0.01 0.00 0.18 0.00 0.00 52.55 52.38 1jrg s ASP 188 Cb -0.14 -1.49 0.06 0.00 1.07 0.00 0.00 42.92 42.42 1jrg s ASP 188 CO -0.05 0.19 -0.06 -0.63 1.18 0.00 0.00 175.17 175.79 1jrg s ILE 189 N 0.22 1.66 0.00 0.77 1.01 -0.74 -0.09 121.20 124.03 1jrg s ILE 189 Ca -0.09 -1.31 0.00 0.00 0.00 0.00 0.00 60.65 59.25 1jrg s ILE 189 Cb -0.16 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.42 1jrg s ILE 189 CO 0.06 -0.09 0.00 2.29 0.00 0.00 0.00 174.94 177.20 1jrg n LYS 190 N 4.62 0.20 -3.54 2.79 2.85 -0.48 0.24 118.16 124.84 1jrg n LYS 190 Ca -0.12 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 56.91 1jrg n LYS 190 Cb 0.44 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.82 1jrg n LYS 190 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1jrg n ARG 191 N 0.00 -1.33 -1.86 -1.58 5.12 -1.26 -1.89 116.66 113.86 1jrg n ARG 191 Ca 0.00 0.68 -0.13 0.00 -1.93 0.00 0.00 57.85 56.47 1jrg n ARG 191 Cb 0.00 -1.82 -0.03 0.00 -1.16 0.00 0.00 32.46 29.44 1jrg n ARG 191 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jrg n GLY 192 N -1.31 0.45 3.71 -0.13 0.00 -1.26 -0.83 105.19 105.81 1jrg n GLY 192 Ca -0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 1jrg n GLY 192 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jrg s SER 193 N -2.07 3.10 0.05 1.61 0.01 -0.79 -3.99 113.70 111.62 1jrg s SER 193 Ca 0.00 1.25 -0.28 0.00 1.31 0.00 0.00 55.95 58.23 1jrg s SER 193 Cb 0.00 -1.91 0.09 0.00 0.21 0.00 0.00 66.02 64.41 1jrg s SER 193 CO 0.00 -2.84 0.94 -0.62 0.41 0.00 0.00 173.24 171.12 1jrg s ASP 194 N -3.56 -0.28 -0.58 2.44 3.68 -1.12 -1.69 116.67 115.56 1jrg s ASP 194 Ca 0.64 -0.15 -0.09 0.00 2.13 0.00 0.00 52.55 55.08 1jrg s ASP 194 Cb -0.18 0.41 0.01 0.00 -1.45 0.00 0.00 42.92 41.71 1jrg s ASP 194 CO 0.57 -0.70 0.65 -1.22 0.13 0.00 0.00 175.17 174.59 1jrg n TYR 195 N -0.33 -3.20 -4.47 -5.34 4.01 -1.16 -1.55 117.16 105.12 1jrg n TYR 195 Ca -0.08 1.26 -0.22 0.00 -0.16 0.00 0.00 57.90 58.71 1jrg n TYR 195 Cb 0.61 -3.97 -0.14 0.00 -0.31 0.00 0.00 39.34 35.53 1jrg n TYR 195 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1jrg s VAL 196 N -2.75 1.25 -0.06 -0.72 1.01 -0.33 -1.66 120.40 117.14 1jrg s VAL 196 Ca 0.14 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1jrg s VAL 196 Cb -0.04 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.26 1jrg s VAL 196 CO 0.77 0.10 -0.06 -0.89 0.00 0.00 0.00 175.10 175.01 1jrg s THR 197 N -0.76 0.75 -0.22 3.92 2.01 -0.72 -0.74 115.64 119.86 1jrg s THR 197 Ca 0.04 -0.21 0.02 0.00 0.31 0.00 0.00 61.69 61.84 1jrg s THR 197 Cb -0.08 -0.75 0.04 0.00 0.01 0.00 0.00 72.50 71.72 1jrg s THR 197 CO 0.01 0.28 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.45 1jrg s ILE 198 N 1.08 2.16 0.09 1.82 1.01 0.78 -1.07 121.20 127.08 1jrg s ILE 198 Ca -0.08 -1.28 0.03 0.00 0.00 0.00 0.00 60.65 59.33 1jrg s ILE 198 Cb -0.14 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 1jrg s ILE 198 CO -0.01 0.25 -0.09 -0.94 0.00 0.00 0.00 174.94 174.15 1jrg s SER 199 N 1.20 1.36 -1.34 3.58 1.04 0.50 -2.21 113.70 117.82 1jrg s SER 199 Ca -0.02 -0.83 -0.15 0.00 0.48 0.00 0.00 55.95 55.43 1jrg s SER 199 Cb -0.17 0.02 0.15 0.00 0.10 0.00 0.00 66.02 66.13 1jrg s SER 199 CO -0.09 -0.29 0.47 0.59 0.98 0.00 0.00 173.24 174.91 1jrg n ASN 200 N 0.52 -2.21 -4.87 7.02 3.02 -0.99 -1.51 115.26 116.25 1jrg n ASN 200 Ca -0.16 -0.68 -0.21 0.00 -0.03 0.00 0.00 54.58 53.50 1jrg n ASN 200 Cb 0.58 -1.90 -0.03 0.00 -0.61 0.00 0.00 39.78 37.82 1jrg n ASN 200 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1jrg s SER 201 N -2.88 5.03 -0.05 6.41 0.01 -1.25 -1.11 113.70 119.85 1jrg s SER 201 Ca 0.56 -0.76 -0.01 0.00 1.31 0.00 0.00 55.95 57.05 1jrg s SER 201 Cb -0.32 -0.56 0.03 0.00 0.21 0.00 0.00 66.02 65.38 1jrg s SER 201 CO 0.69 -0.66 0.01 -0.22 0.41 0.00 0.00 173.24 173.48 1jrg s LEU 202 N -4.13 0.69 -0.32 2.44 2.96 -0.22 -0.14 118.68 119.97 1jrg s LEU 202 Ca 0.48 -0.03 -0.06 0.00 -0.22 0.00 0.00 54.13 54.30 1jrg s LEU 202 Cb -0.03 -0.30 0.03 0.00 0.50 0.00 0.00 46.19 46.39 1jrg s LEU 202 CO 0.28 -0.17 0.09 -0.63 -1.32 0.00 0.00 176.35 174.59 1jrg s ILE 203 N 1.67 3.80 -0.14 6.68 -1.09 -0.08 -0.81 121.20 131.23 1jrg s ILE 203 Ca -0.00 -0.99 0.01 0.00 -2.23 0.00 0.00 60.65 57.44 1jrg s ILE 203 Cb -0.13 -3.08 0.02 0.00 -1.58 0.00 0.00 42.46 37.69 1jrg s ILE 203 CO -0.03 -0.08 -0.16 -0.62 -1.23 0.00 0.00 174.94 172.82 1jrg s ASP 204 N 1.43 2.71 -0.31 3.58 2.15 -0.02 -1.05 116.67 125.16 1jrg s ASP 204 Ca -0.00 -0.50 -0.06 0.00 0.43 0.00 0.00 52.55 52.42 1jrg s ASP 204 Cb -0.19 -1.22 0.01 0.00 -0.30 0.00 0.00 42.92 41.23 1jrg s ASP 204 CO 0.02 -0.02 0.21 0.00 -0.17 0.00 0.00 175.17 175.22 1jrg n GLN 205 N 4.55 -2.65 -3.48 4.34 6.02 0.55 -3.32 117.38 123.39 1jrg n GLN 205 Ca -0.18 2.26 -0.11 0.00 -0.01 0.00 0.00 57.00 58.95 1jrg n GLN 205 Cb 0.50 -4.94 -0.03 0.00 1.02 0.00 0.00 30.24 26.79 1jrg n GLN 205 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1jrg s HIS 206 N -1.81 -0.47 0.00 1.08 2.46 -1.01 -2.02 115.29 113.51 1jrg s HIS 206 Ca 0.09 0.43 0.00 0.00 0.47 0.00 0.00 55.06 56.05 1jrg s HIS 206 Cb -0.02 0.52 0.00 0.00 -0.13 0.00 0.00 32.58 32.95 1jrg s HIS 206 CO 0.68 -0.66 0.00 -3.47 -2.47 0.00 0.00 174.74 168.81 1jrg n ASP 207 N -0.04 0.00 -4.58 9.88 -0.08 -1.26 -0.70 116.55 119.77 1jrg n ASP 207 Ca -0.14 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.73 1jrg n ASP 207 Cb 0.62 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.05 1jrg n ASP 207 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1jrg s LYS 208 N 0.35 3.31 -0.00 -0.67 1.02 -1.26 -2.09 119.74 120.39 1jrg s LYS 208 Ca 0.00 0.44 -0.00 0.00 0.02 0.00 0.00 55.97 56.42 1jrg s LYS 208 Cb 0.00 -4.12 -0.00 0.00 -0.52 0.00 0.00 37.83 33.19 1jrg s LYS 208 CO 0.00 -1.93 -0.01 0.25 -0.92 0.00 0.00 175.35 172.74 1jrg n THR 209 N 6.85 0.04 -3.93 2.17 -2.24 -0.92 -3.13 114.28 113.12 1jrg n THR 209 Ca 0.12 0.49 -0.35 0.00 -2.27 0.00 0.00 64.05 62.05 1jrg n THR 209 Cb 0.49 -1.52 -0.14 0.00 -2.10 0.00 0.00 70.33 67.06 1jrg n THR 209 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1jrg s MET 210 N -1.05 2.49 -0.24 -0.78 -2.45 0.26 -0.68 119.30 116.85 1jrg s MET 210 Ca -0.01 -1.22 -0.03 0.00 -1.25 0.00 0.00 55.69 53.18 1jrg s MET 210 Cb 0.00 -3.13 0.01 0.00 1.25 0.00 0.00 34.83 32.96 1jrg s MET 210 CO 0.01 -0.58 -0.03 -1.17 1.05 0.00 0.00 175.02 174.30 1jrg s LEU 211 N 1.26 3.11 -0.21 4.11 2.96 -1.07 -1.16 118.68 127.68 1jrg s LEU 211 Ca -0.05 -0.60 -0.07 0.00 -0.22 0.00 0.00 54.13 53.20 1jrg s LEU 211 Cb -0.19 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 1jrg s LEU 211 CO -0.02 -0.08 0.05 -0.63 -1.32 0.00 0.00 176.35 174.35 1jrg s ILE 212 N 1.43 4.37 0.00 6.68 -1.09 0.16 -1.78 121.20 130.96 1jrg s ILE 212 Ca 0.04 -0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.29 1jrg s ILE 212 Cb -0.15 -3.00 0.00 0.00 -1.58 0.00 0.00 42.46 37.73 1jrg s ILE 212 CO -0.03 0.40 0.00 0.61 -1.23 0.00 0.00 174.94 174.69 1jrg n GLY 213 N 4.25 -1.28 0.58 6.18 0.00 0.14 -2.18 105.19 112.88 1jrg n GLY 213 Ca -0.16 -0.94 -0.02 0.00 0.00 0.00 0.00 46.02 44.90 1jrg n GLY 213 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1jrg n HIS 214 N 1.41 0.00 0.00 1.61 -0.00 -1.26 -4.75 115.22 112.23 1jrg n HIS 214 Ca 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 1jrg n HIS 214 Cb 0.00 0.31 0.00 0.00 -0.00 0.00 0.00 29.99 30.30 1jrg n HIS 214 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1jrg n ASP 222 N 0.00 0.00 -4.59 0.26 8.00 -1.26 -4.85 116.55 114.11 1jrg n ASP 222 Ca -0.09 0.00 -0.45 0.00 0.71 0.00 0.00 54.79 54.96 1jrg n ASP 222 Cb 0.39 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.45 1jrg n ASP 222 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1jrg n LYS 223 N 0.00 1.98 -0.33 -1.24 4.01 -1.26 -1.25 118.16 120.08 1jrg n LYS 223 Ca 0.00 0.61 0.00 0.00 -0.51 0.00 0.00 58.31 58.41 1jrg n LYS 223 Cb 0.00 -3.00 0.00 0.00 -0.51 0.00 0.00 35.03 31.52 1jrg n LYS 223 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1jrg n GLY 224 N 5.55 0.79 1.98 0.72 0.00 -1.26 -5.06 105.19 107.91 1jrg n GLY 224 Ca 0.29 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.14 1jrg n GLY 224 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1jrg n LYS 225 N -2.23 1.20 -2.70 1.61 -0.00 -0.38 -4.96 118.16 110.69 1jrg n LYS 225 Ca 0.00 -2.02 -0.02 0.00 -0.00 0.00 0.00 58.31 56.27 1jrg n LYS 225 Cb 0.00 0.65 0.00 0.00 -0.00 0.00 0.00 35.03 35.68 1jrg n LYS 225 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1jrg n LEU 226 N 0.00 -6.09 -4.38 -5.58 4.77 -0.68 -3.91 117.00 101.12 1jrg n LEU 226 Ca -0.10 0.07 -0.37 0.00 -0.03 0.00 0.00 56.01 55.58 1jrg n LEU 226 Cb 0.35 -2.87 -0.12 0.00 -2.33 0.00 0.00 43.42 38.45 1jrg n LEU 226 CO 0.19 -1.17 -0.27 -1.00 -1.33 0.00 0.00 177.39 173.81 1jrg s HIS 227 N -2.81 3.13 -0.06 -1.77 3.76 -1.26 -2.20 115.29 114.07 1jrg s HIS 227 Ca 0.05 -0.76 0.02 0.00 -0.15 0.00 0.00 55.06 54.22 1jrg s HIS 227 Cb -0.01 -2.26 0.01 0.00 1.11 0.00 0.00 32.58 31.43 1jrg s HIS 227 CO 0.60 -0.50 -0.12 0.08 -0.85 0.00 0.00 174.74 173.96 1jrg s VAL 228 N 1.55 1.07 -0.10 -0.90 1.01 -1.08 -1.18 120.40 120.78 1jrg s VAL 228 Ca 0.04 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1jrg s VAL 228 Cb -0.16 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1jrg s VAL 228 CO 0.03 0.34 -0.06 -0.89 0.00 0.00 0.00 175.10 174.51 1jrg s THR 229 N 0.56 3.71 -0.08 3.92 2.01 0.08 -0.92 115.64 124.92 1jrg s THR 229 Ca -0.12 -0.46 -0.01 0.00 0.31 0.00 0.00 61.69 61.41 1jrg s THR 229 Cb -0.14 -2.55 0.03 0.00 0.01 0.00 0.00 72.50 69.84 1jrg s THR 229 CO 0.03 0.56 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.75 1jrg s LEU 230 N -0.37 0.68 -0.03 4.42 1.02 0.24 -0.15 118.68 124.49 1jrg s LEU 230 Ca 0.05 -0.14 -0.08 0.00 0.02 0.00 0.00 54.13 53.98 1jrg s LEU 230 Cb -0.12 -0.50 0.01 0.00 0.02 0.00 0.00 46.19 45.60 1jrg s LEU 230 CO 0.02 -0.19 0.19 0.72 0.02 0.00 0.00 176.35 177.11 1jrg s PHE 231 N 1.94 -0.09 -1.55 0.29 -0.12 -0.94 -2.07 117.98 115.44 1jrg s PHE 231 Ca 0.05 0.18 -0.02 0.00 -0.05 0.00 0.00 56.93 57.09 1jrg s PHE 231 Cb -0.12 0.02 0.00 0.00 -0.63 0.00 0.00 43.02 42.29 1jrg s PHE 231 CO -0.06 -0.23 0.31 0.09 -0.05 0.00 0.00 175.22 175.29 1jrg n ASN 232 N 2.03 -5.73 -4.89 1.98 3.02 0.10 -2.34 115.26 109.42 1jrg n ASN 232 Ca -0.19 -0.15 -0.21 0.00 -0.03 0.00 0.00 54.58 54.00 1jrg n ASN 232 Cb 0.57 -4.65 -0.03 0.00 -0.61 0.00 0.00 39.78 35.06 1jrg n ASN 232 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1jrg s ASN 233 N -2.45 5.61 -0.05 6.41 0.01 -1.26 -2.67 114.94 120.53 1jrg s ASN 233 Ca 0.15 -0.31 0.03 0.00 -0.71 0.00 0.00 52.86 52.02 1jrg s ASN 233 Cb -0.07 -1.22 0.01 0.00 0.41 0.00 0.00 41.25 40.38 1jrg s ASN 233 CO 0.19 -0.28 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.69 1jrg s VAL 234 N -2.20 1.13 -0.45 1.60 1.01 0.80 -0.52 120.40 121.77 1jrg s VAL 234 Ca 0.39 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1jrg s VAL 234 Cb -0.07 -1.01 0.12 0.00 0.00 0.00 0.00 36.38 35.41 1jrg s VAL 234 CO 0.28 0.35 0.18 -0.36 0.00 0.00 0.00 175.10 175.54 1jrg s PHE 235 N 0.43 3.46 -0.22 5.22 0.08 0.77 -0.90 117.98 126.81 1jrg s PHE 235 Ca -0.10 -3.04 -0.07 0.00 0.12 0.00 0.00 56.93 53.84 1jrg s PHE 235 Cb -0.13 -2.91 -0.03 0.00 -0.57 0.00 0.00 43.02 39.38 1jrg s PHE 235 CO 0.03 -0.85 0.05 1.21 -0.10 0.00 0.00 175.22 175.56 1jrg s ASN 236 N 0.37 5.20 -1.33 1.36 2.47 -0.22 -1.44 114.94 121.34 1jrg s ASN 236 Ca 0.14 -0.13 -0.02 0.00 0.42 0.00 0.00 52.86 53.27 1jrg s ASN 236 Cb -0.23 -1.91 0.01 0.00 -1.45 0.00 0.00 41.25 37.68 1jrg s ASN 236 CO -0.04 0.05 0.76 0.54 -3.72 0.00 0.00 177.10 174.69 1jrg n ARG 237 N 4.38 -5.16 -3.81 0.43 1.74 -0.34 -0.33 116.66 113.57 1jrg n ARG 237 Ca -0.16 0.63 -0.36 0.00 -0.77 0.00 0.00 57.85 57.19 1jrg n ARG 237 Cb 0.52 -5.27 -0.12 0.00 -1.02 0.00 0.00 32.46 26.57 1jrg n ARG 237 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1jrg s VAL 238 N -3.60 4.51 0.05 1.55 1.01 -1.26 -2.40 120.40 120.26 1jrg s VAL 238 Ca 0.11 -0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 1jrg s VAL 238 Cb -0.05 -3.09 -0.18 0.00 0.00 0.00 0.00 36.38 33.06 1jrg s VAL 238 CO 0.81 0.36 1.49 0.74 0.00 0.00 0.00 175.10 178.50 1jrg h THR 239 N 5.38 0.49 -3.29 3.92 2.02 -0.91 -3.43 112.91 117.08 1jrg h THR 239 Ca -0.37 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 1jrg h THR 239 Cb 1.18 0.57 -0.11 0.00 -1.74 0.00 0.00 68.15 68.05 1jrg h THR 239 CO 0.60 0.03 0.02 -1.83 0.37 0.00 0.00 175.52 174.71 1jrg s GLU 240 N -5.58 1.26 -0.20 6.66 -1.05 -0.89 -1.37 118.70 117.53 1jrg s GLU 240 Ca -0.16 -0.75 -0.04 0.00 -0.15 0.00 0.00 54.97 53.87 1jrg s GLU 240 Cb 0.03 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.24 1jrg s GLU 240 CO 0.59 -0.52 0.14 0.54 0.95 0.00 0.00 175.26 176.96 1jrg n ARG 241 N -0.31 -1.66 -2.78 -4.83 1.74 -1.23 -2.15 116.66 105.45 1jrg n ARG 241 Ca -0.13 1.60 -0.12 0.00 -0.77 0.00 0.00 57.85 58.43 1jrg n ARG 241 Cb 0.63 -3.57 0.01 0.00 -1.02 0.00 0.00 32.46 28.52 1jrg n ARG 241 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jrg n ALA 242 N 0.05 3.21 -2.44 7.54 0.00 0.28 -0.58 120.51 128.58 1jrg n ALA 242 Ca 0.03 -3.29 -0.27 0.00 0.00 0.00 0.00 53.44 49.91 1jrg n ALA 242 Cb 0.11 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 1jrg n ALA 242 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1jrg s PRO 243 N -2.99 2.26 -0.24 0.00 0.04 -1.24 -4.68 135.00 128.15 1jrg s PRO 243 Ca 0.32 -2.01 -0.06 0.00 0.04 0.00 0.00 61.00 59.28 1jrg s PRO 243 Cb 0.43 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.93 1jrg s PRO 243 CO -0.00 -0.48 0.02 0.50 0.04 0.00 0.00 177.00 177.08 1jrg s ARG 244 N -4.16 3.55 0.09 4.56 3.52 -0.31 -1.71 118.95 124.49 1jrg s ARG 244 Ca 0.32 -0.54 0.08 0.00 -0.13 0.00 0.00 55.73 55.47 1jrg s ARG 244 Cb -0.01 -3.19 -0.03 0.00 -1.56 0.00 0.00 34.95 30.16 1jrg s ARG 244 CO 0.19 -0.18 -0.22 0.54 -0.81 0.00 0.00 175.30 174.82 1jrg s VAL 245 N 1.54 1.81 -0.05 7.11 0.11 0.08 -0.67 120.40 130.33 1jrg s VAL 245 Ca 0.06 -1.50 -0.08 0.00 -2.93 0.00 0.00 61.98 57.53 1jrg s VAL 245 Cb -0.15 -1.61 0.02 0.00 -1.53 0.00 0.00 36.38 33.10 1jrg s VAL 245 CO 0.01 0.04 0.20 0.00 -3.33 0.00 0.00 175.10 172.02 1jrg s ARG 246 N -1.75 0.35 -0.81 1.54 1.70 -0.93 0.38 118.95 119.43 1jrg s ARG 246 Ca 0.08 0.07 -0.01 0.00 -0.47 0.00 0.00 55.73 55.41 1jrg s ARG 246 Cb -0.10 0.16 0.00 0.00 -0.57 0.00 0.00 34.95 34.44 1jrg s ARG 246 CO 0.04 -0.07 0.64 0.66 -1.08 0.00 0.00 175.30 175.49 1jrg n TYR 247 N 2.42 -2.36 0.00 5.89 4.02 0.20 -4.25 117.16 123.08 1jrg n TYR 247 Ca -0.16 0.92 0.00 0.00 -0.01 0.00 0.00 57.90 58.65 1jrg n TYR 247 Cb 0.58 -3.25 0.00 0.00 -0.02 0.00 0.00 39.34 36.65 1jrg n TYR 247 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jrg n GLY 248 N -1.70 3.56 3.51 2.72 0.00 -1.04 -4.52 105.19 107.73 1jrg n GLY 248 Ca -0.21 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 1jrg n GLY 248 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jrg s SER 249 N 0.00 4.43 0.07 1.61 1.04 -0.94 -1.41 113.70 118.51 1jrg s SER 249 Ca 0.00 -0.13 0.09 0.00 0.48 0.00 0.00 55.95 56.40 1jrg s SER 249 Cb 0.00 -1.26 -0.03 0.00 0.10 0.00 0.00 66.02 64.82 1jrg s SER 249 CO 0.00 0.30 -0.26 0.27 0.98 0.00 0.00 173.24 174.53 1jrg s ILE 250 N -0.43 2.09 -0.30 -1.02 -5.25 0.07 -2.62 121.20 113.75 1jrg s ILE 250 Ca 0.06 -1.49 0.01 0.00 -0.99 0.00 0.00 60.65 58.24 1jrg s ILE 250 Cb -0.12 -1.82 0.07 0.00 2.95 0.00 0.00 42.46 43.54 1jrg s ILE 250 CO 0.02 0.24 -0.02 -2.28 -1.79 0.00 0.00 174.94 171.11 1jrg s HIS 251 N -0.90 3.40 -0.23 1.37 5.65 -0.10 -1.33 115.29 123.14 1jrg s HIS 251 Ca 0.12 -2.35 0.00 0.00 0.25 0.00 0.00 55.06 53.08 1jrg s HIS 251 Cb -0.10 -2.30 0.03 0.00 -1.18 0.00 0.00 32.58 29.04 1jrg s HIS 251 CO 0.03 -0.88 -0.11 0.45 -0.65 0.00 0.00 174.74 173.58 1jrg s SER 252 N 1.16 4.04 0.02 9.88 0.15 0.09 -0.59 113.70 128.45 1jrg s SER 252 Ca -0.02 -0.96 -0.01 0.00 0.70 0.00 0.00 55.95 55.65 1jrg s SER 252 Cb -0.20 -1.58 -0.02 0.00 -1.71 0.00 0.00 66.02 62.51 1jrg s SER 252 CO -0.04 -0.11 0.00 0.72 1.20 0.00 0.00 173.24 175.01 1jrg s PHE 253 N 1.25 0.21 -1.31 3.44 -0.12 -0.88 -1.21 117.98 119.36 1jrg s PHE 253 Ca -0.01 -0.43 -0.07 0.00 -0.05 0.00 0.00 56.93 56.37 1jrg s PHE 253 Cb -0.17 -0.15 -0.00 0.00 -0.63 0.00 0.00 43.02 42.07 1jrg s PHE 253 CO -0.07 -0.20 0.57 0.09 -0.05 0.00 0.00 175.22 175.56 1jrg n ASN 254 N 1.65 -1.95 -4.67 1.98 5.03 -0.51 -3.63 115.26 113.16 1jrg n ASN 254 Ca -0.23 -0.99 -0.24 0.00 0.87 0.00 0.00 54.58 53.98 1jrg n ASN 254 Cb 0.55 -3.26 -0.08 0.00 -1.02 0.00 0.00 39.78 35.97 1jrg n ASN 254 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1jrg s ASN 255 N -4.09 4.32 -0.11 6.41 0.01 -1.26 -0.72 114.94 119.49 1jrg s ASN 255 Ca 0.15 -0.98 0.02 0.00 -0.71 0.00 0.00 52.86 51.34 1jrg s ASN 255 Cb -0.05 -0.56 0.01 0.00 0.41 0.00 0.00 41.25 41.06 1jrg s ASN 255 CO 0.87 -0.32 -0.17 -0.69 -1.51 0.00 0.00 177.10 175.28 1jrg s VAL 256 N -2.53 1.62 -0.18 1.60 1.01 0.32 -1.08 120.40 121.16 1jrg s VAL 256 Ca 0.37 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1jrg s VAL 256 Cb 0.01 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.93 1jrg s VAL 256 CO 0.21 0.46 -0.18 -0.36 0.00 0.00 0.00 175.10 175.24 1jrg s PHE 257 N 0.94 2.80 -0.10 5.22 0.40 0.84 -0.17 117.98 127.92 1jrg s PHE 257 Ca -0.07 -1.50 0.00 0.00 -0.60 0.00 0.00 56.93 54.76 1jrg s PHE 257 Cb -0.15 -1.94 0.02 0.00 0.51 0.00 0.00 43.02 41.46 1jrg s PHE 257 CO -0.01 -0.75 -0.09 0.21 0.70 0.00 0.00 175.22 175.27 1jrg s LYS 258 N 1.28 1.62 0.00 0.44 2.20 -0.52 -1.03 119.74 123.73 1jrg s LYS 258 Ca 0.04 -0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.33 1jrg s LYS 258 Cb -0.13 -1.56 0.00 0.00 -1.51 0.00 0.00 37.83 34.62 1jrg s LYS 258 CO -0.10 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.12 1jrg n GLY 259 N 4.60 3.28 3.47 5.54 0.00 -0.46 -1.20 105.19 120.41 1jrg n GLY 259 Ca -0.16 -0.84 -0.03 0.00 0.00 0.00 0.00 46.02 45.00 1jrg n GLY 259 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jrg s ASP 260 N 1.88 -0.90 0.00 1.61 3.68 -1.26 -1.93 116.67 119.75 1jrg s ASP 260 Ca 0.00 1.30 0.04 0.00 2.13 0.00 0.00 52.55 56.02 1jrg s ASP 260 Cb 0.00 2.01 0.20 0.00 -1.45 0.00 0.00 42.92 43.68 1jrg s ASP 260 CO 0.00 -0.23 0.87 0.00 0.13 0.00 0.00 175.17 175.94 1jrg n ALA 261 N 5.43 1.45 -2.07 3.66 0.00 -0.10 -1.14 120.51 127.74 1jrg n ALA 261 Ca -0.10 -0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.37 1jrg n ALA 261 Cb 0.49 -1.06 0.08 0.00 0.00 0.00 0.00 19.45 18.96 1jrg n ALA 261 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jrg n LYS 262 N -1.20 0.55 -2.05 0.00 5.02 -1.26 -4.54 118.16 114.68 1jrg n LYS 262 Ca 0.02 -2.28 -0.41 0.00 -2.02 0.00 0.00 58.31 53.61 1jrg n LYS 262 Cb 0.02 -0.64 -0.02 0.00 -0.02 0.00 0.00 35.03 34.37 1jrg n LYS 262 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1jrg s ASP 263 N -2.29 6.69 0.42 4.39 -1.08 -0.29 -4.91 116.67 119.60 1jrg s ASP 263 Ca 0.30 2.65 0.11 0.00 -0.52 0.00 0.00 52.55 55.10 1jrg s ASP 263 Cb 0.32 -2.63 0.91 0.00 -1.46 0.00 0.00 42.92 40.07 1jrg s ASP 263 CO -0.10 -0.66 1.99 1.55 0.52 0.00 0.00 175.17 178.47 1jrg h PRO 264 N 4.75 0.20 0.00 4.34 0.13 -1.98 -3.14 132.00 136.31 1jrg h PRO 264 Ca -0.46 -0.03 -0.27 0.00 -0.87 0.00 0.00 66.00 64.37 1jrg h PRO 264 Cb 1.22 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 1jrg h PRO 264 CO 0.75 0.28 -1.85 0.28 -0.23 0.00 0.00 178.00 177.24 1jrg n VAL 265 N -4.36 1.03 -2.87 1.56 0.31 -1.26 -4.81 118.33 107.92 1jrg n VAL 265 Ca -0.01 -0.19 -0.28 0.00 -0.01 0.00 0.00 64.34 63.85 1jrg n VAL 265 Cb 0.20 -1.78 -0.03 0.00 -0.91 0.00 0.00 33.84 31.32 1jrg n VAL 265 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1jrg n TYR 266 N -3.84 3.95 -1.71 3.52 4.02 -1.26 -4.90 117.16 116.94 1jrg n TYR 266 Ca -0.32 -3.84 -0.59 0.00 -0.01 0.00 0.00 57.90 53.14 1jrg n TYR 266 Cb 0.70 -0.48 -0.08 0.00 -0.02 0.00 0.00 39.34 39.47 1jrg n TYR 266 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1jrg n ARG 267 N -0.27 0.97 -1.91 -0.72 0.63 -1.18 -4.05 116.66 110.13 1jrg n ARG 267 Ca 0.33 0.36 -0.42 0.00 -0.92 0.00 0.00 57.85 57.19 1jrg n ARG 267 Cb 0.41 -2.01 -0.03 0.00 0.45 0.00 0.00 32.46 31.28 1jrg n ARG 267 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 1jrg s TYR 268 N 3.33 2.14 -0.12 -0.14 5.04 -0.52 -4.59 117.35 122.49 1jrg s TYR 268 Ca 0.99 0.17 -0.12 0.00 -2.44 0.00 0.00 57.07 55.66 1jrg s TYR 268 Cb -1.13 -3.99 -0.04 0.00 0.35 0.00 0.00 41.96 37.14 1jrg s TYR 268 CO 0.67 -4.12 -0.24 1.04 -1.34 0.00 0.00 175.55 171.56 1jrg n GLN 269 N 6.28 0.37 -3.75 4.97 6.02 -0.47 -4.48 117.38 126.31 1jrg n GLN 269 Ca 0.17 0.15 -0.05 0.00 -0.01 0.00 0.00 57.00 57.25 1jrg n GLN 269 Cb 0.41 -1.13 -0.02 0.00 1.02 0.00 0.00 30.24 30.52 1jrg n GLN 269 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 1jrg s TYR 270 N -2.41 -0.17 -0.11 1.08 1.13 -1.25 -4.71 117.35 110.90 1jrg s TYR 270 Ca -0.20 -0.15 -0.12 0.00 -1.41 0.00 0.00 57.07 55.19 1jrg s TYR 270 Cb 0.03 0.65 -0.05 0.00 -1.10 0.00 0.00 41.96 41.49 1jrg s TYR 270 CO 0.30 -0.91 -0.24 0.43 -2.51 0.00 0.00 175.55 172.62 1jrg n SER 271 N -0.45 1.62 -4.73 -0.18 7.64 -0.35 -3.48 113.62 113.70 1jrg n SER 271 Ca -0.06 0.26 -0.37 0.00 1.01 0.00 0.00 58.87 59.71 1jrg n SER 271 Cb 0.60 -0.61 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1jrg n SER 271 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1jrg s PHE 272 N -2.58 3.50 -0.22 1.43 0.08 -0.40 0.10 117.98 119.89 1jrg s PHE 272 Ca -0.21 0.78 -0.02 0.00 0.12 0.00 0.00 56.93 57.60 1jrg s PHE 272 Cb 0.04 -2.47 0.01 0.00 -0.57 0.00 0.00 43.02 40.03 1jrg s PHE 272 CO 0.30 0.21 -0.07 0.20 -0.10 0.00 0.00 175.22 175.76 1jrg s GLY 273 N 0.52 1.58 -0.58 4.36 0.00 -0.69 0.57 107.32 113.08 1jrg s GLY 273 Ca 0.22 -1.26 -0.17 0.00 0.00 0.00 0.00 44.72 43.51 1jrg s GLY 273 CO 0.08 0.43 0.60 -0.42 0.00 0.00 0.00 173.10 173.79 1jrg s ILE 274 N 1.40 5.05 0.59 0.90 -1.09 0.33 -0.74 121.20 127.66 1jrg s ILE 274 Ca 0.04 -1.32 0.10 0.00 -2.23 0.00 0.00 60.65 57.24 1jrg s ILE 274 Cb -0.15 -4.41 0.10 0.00 -1.58 0.00 0.00 42.46 36.42 1jrg s ILE 274 CO -0.05 -0.99 0.80 0.61 -1.23 0.00 0.00 174.94 174.08 1jrg n GLY 275 N 5.22 2.00 3.72 6.18 0.00 0.16 -0.69 105.19 121.78 1jrg n GLY 275 Ca -0.11 -2.23 -0.63 0.00 0.00 0.00 0.00 46.02 43.05 1jrg n GLY 275 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jrg n THR 276 N -2.28 0.14 -2.19 2.61 -1.04 -1.25 0.06 114.28 110.34 1jrg n THR 276 Ca 0.16 -0.03 -0.17 0.00 -2.04 0.00 0.00 64.05 61.98 1jrg n THR 276 Cb 0.62 -0.85 -0.02 0.00 -1.82 0.00 0.00 70.33 68.25 1jrg n THR 276 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1jrg n SER 277 N 4.80 -4.78 -4.87 8.00 7.64 -1.26 0.60 113.62 123.75 1jrg n SER 277 Ca 0.30 0.17 -0.35 0.00 1.01 0.00 0.00 58.87 59.99 1jrg n SER 277 Cb 0.03 -4.08 -0.06 0.00 -1.01 0.00 0.00 64.21 59.09 1jrg n SER 277 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1jrg s GLY 278 N -2.13 2.14 0.02 0.23 0.00 0.11 -2.49 107.32 105.20 1jrg s GLY 278 Ca 0.00 -0.71 0.03 0.00 0.00 0.00 0.00 44.72 44.04 1jrg s GLY 278 CO 0.00 -0.50 -0.09 -1.35 0.00 0.00 0.00 173.10 171.16 1jrg s SER 279 N -1.36 1.01 -0.05 1.64 1.04 -0.50 -3.88 113.70 111.59 1jrg s SER 279 Ca 0.19 -0.36 -0.00 0.00 0.48 0.00 0.00 55.95 56.26 1jrg s SER 279 Cb -0.12 -0.04 0.03 0.00 0.10 0.00 0.00 66.02 65.98 1jrg s SER 279 CO 0.09 -0.04 -0.01 -0.69 0.98 0.00 0.00 173.24 173.57 1jrg s VAL 280 N -0.79 0.36 -0.33 5.02 1.01 -1.12 -0.75 120.40 123.80 1jrg s VAL 280 Ca -0.03 0.04 -0.06 0.00 0.00 0.00 0.00 61.98 61.94 1jrg s VAL 280 Cb -0.07 -0.46 0.04 0.00 0.00 0.00 0.00 36.38 35.90 1jrg s VAL 280 CO 0.00 0.22 0.09 -0.22 0.00 0.00 0.00 175.10 175.19 1jrg s LEU 281 N 1.36 4.28 -0.12 3.92 2.96 -0.44 -2.04 118.68 128.60 1jrg s LEU 281 Ca -0.04 -1.19 -0.04 0.00 -0.22 0.00 0.00 54.13 52.64 1jrg s LEU 281 Cb -0.13 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 1jrg s LEU 281 CO -0.02 -0.32 0.02 -0.55 -1.32 0.00 0.00 176.35 174.15 1jrg s SER 282 N 1.40 5.30 -0.12 3.68 0.15 0.10 -0.73 113.70 123.48 1jrg s SER 282 Ca -0.02 0.10 -0.08 0.00 0.70 0.00 0.00 55.95 56.64 1jrg s SER 282 Cb -0.20 -1.68 0.04 0.00 -1.71 0.00 0.00 66.02 62.48 1jrg s SER 282 CO 0.02 0.29 0.30 -1.61 1.20 0.00 0.00 173.24 173.44 1jrg s GLU 283 N -0.37 0.30 -1.50 5.44 2.02 -0.35 -1.73 118.70 122.51 1jrg s GLU 283 Ca 0.08 0.53 -0.03 0.00 0.02 0.00 0.00 54.97 55.56 1jrg s GLU 283 Cb -0.12 0.02 0.03 0.00 0.10 0.00 0.00 34.13 34.16 1jrg s GLU 283 CO 0.02 -0.11 0.36 0.41 0.02 0.00 0.00 175.26 175.96 1jrg n GLY 284 N 3.68 -0.23 3.90 -1.39 0.00 -0.69 -1.42 105.19 109.05 1jrg n GLY 284 Ca -0.20 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1jrg n GLY 284 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jrg s ASN 285 N -4.20 6.42 -0.25 1.61 0.01 -1.26 -2.29 114.94 114.99 1jrg s ASN 285 Ca 0.13 0.43 -0.08 0.00 -0.71 0.00 0.00 52.86 52.63 1jrg s ASN 285 Cb -0.07 -2.03 -0.03 0.00 0.41 0.00 0.00 41.25 39.53 1jrg s ASN 285 CO 0.93 0.19 0.08 -0.55 -1.51 0.00 0.00 177.10 176.24 1jrg s SER 286 N -2.16 5.26 -0.31 -1.22 0.15 -0.24 -0.78 113.70 114.39 1jrg s SER 286 Ca 0.33 -0.17 -0.01 0.00 0.70 0.00 0.00 55.95 56.79 1jrg s SER 286 Cb -0.13 -1.95 0.06 0.00 -1.71 0.00 0.00 66.02 62.29 1jrg s SER 286 CO 0.22 -0.03 0.02 -0.36 1.20 0.00 0.00 173.24 174.29 1jrg s PHE 287 N 1.58 3.33 -0.51 3.44 0.08 0.27 -0.11 117.98 126.05 1jrg s PHE 287 Ca 0.06 -2.03 0.01 0.00 0.12 0.00 0.00 56.93 55.09 1jrg s PHE 287 Cb -0.15 -2.28 0.13 0.00 -0.57 0.00 0.00 43.02 40.15 1jrg s PHE 287 CO 0.04 -0.84 0.29 0.99 -0.10 0.00 0.00 175.22 175.60 1jrg s THR 288 N 1.21 3.05 -0.25 0.64 2.01 -0.20 0.72 115.64 122.82 1jrg s THR 288 Ca -0.03 -2.86 0.01 0.00 0.31 0.00 0.00 61.69 59.12 1jrg s THR 288 Cb -0.20 -3.08 0.04 0.00 0.01 0.00 0.00 72.50 69.28 1jrg s THR 288 CO -0.02 -0.78 -0.10 -0.63 -0.69 0.00 0.00 174.62 172.40 1jrg s ILE 289 N 0.18 2.42 0.63 1.82 -1.09 -1.26 -1.35 121.20 122.54 1jrg s ILE 289 Ca 0.15 -1.35 -0.17 0.00 -2.23 0.00 0.00 60.65 57.05 1jrg s ILE 289 Cb -0.22 -2.31 -0.02 0.00 -1.58 0.00 0.00 42.46 38.33 1jrg s ILE 289 CO -0.03 0.10 1.15 0.00 -1.23 0.00 0.00 174.94 174.93 1jrg s ALA 290 N 1.20 2.49 -1.82 9.38 0.00 -0.81 -3.23 121.76 128.97 1jrg s ALA 290 Ca -0.04 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1jrg s ALA 290 Cb -0.18 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1jrg s ALA 290 CO -0.06 -1.21 0.00 0.09 0.00 0.00 0.00 175.76 174.59 1jrg n ASN 291 N -2.02 -5.67 -4.04 0.00 3.02 -1.26 -0.92 115.26 104.38 1jrg n ASN 291 Ca 0.12 0.11 -0.31 0.00 -0.03 0.00 0.00 54.58 54.46 1jrg n ASN 291 Cb 0.51 -4.75 -0.15 0.00 -0.61 0.00 0.00 39.78 34.78 1jrg n ASN 291 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1jrg s LEU 292 N -5.49 2.80 0.30 3.41 2.96 -1.20 -4.63 118.68 116.82 1jrg s LEU 292 Ca 0.00 -1.11 -0.29 0.00 -0.22 0.00 0.00 54.13 52.51 1jrg s LEU 292 Cb 0.00 -1.40 -0.10 0.00 0.50 0.00 0.00 46.19 45.19 1jrg s LEU 292 CO 0.00 -0.16 1.16 -0.55 -1.32 0.00 0.00 176.35 175.49 1jrg s SER 293 N 1.25 7.12 0.45 3.68 0.15 -1.26 -4.94 113.70 120.16 1jrg s SER 293 Ca -0.04 2.40 0.20 0.00 0.70 0.00 0.00 55.95 59.21 1jrg s SER 293 Cb -0.18 -2.63 1.17 0.00 -1.71 0.00 0.00 66.02 62.67 1jrg s SER 293 CO -0.07 -0.26 1.89 0.00 1.20 0.00 0.00 173.24 176.00 1jrg h ALA 294 N 3.68 2.32 0.00 5.45 0.00 -1.99 0.62 119.26 129.34 1jrg h ALA 294 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1jrg h ALA 294 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1jrg h ALA 294 CO 0.66 -0.56 0.00 -1.13 0.00 0.00 0.00 179.25 178.22 1jrg n SER 295 N -4.45 0.00 -1.87 0.00 3.41 -1.26 -3.24 113.62 106.22 1jrg n SER 295 Ca 0.17 0.30 -0.22 0.00 -0.26 0.00 0.00 58.87 58.86 1jrg n SER 295 Cb 0.69 -0.43 0.08 0.00 -0.26 0.00 0.00 64.21 64.29 1jrg n SER 295 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jrg n LYS 296 N -1.43 2.92 0.12 4.33 5.02 0.22 -4.75 118.16 124.59 1jrg n LYS 296 Ca 0.08 -3.71 -0.01 0.00 -2.02 0.00 0.00 58.31 52.65 1jrg n LYS 296 Cb 0.28 -2.16 0.23 0.00 -0.02 0.00 0.00 35.03 33.36 1jrg n LYS 296 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jrg h ALA 297 N 1.83 1.11 0.00 7.82 0.00 -1.53 -2.99 119.26 125.50 1jrg h ALA 297 Ca 0.39 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1jrg h ALA 297 Cb 1.38 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1jrg h ALA 297 CO 0.86 0.61 0.00 0.00 0.00 0.00 0.00 179.25 180.72 1jrg h LYS 299 N 0.00 0.00 0.00 0.00 1.57 -1.89 -2.77 116.57 113.48 1jrg h LYS 299 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jrg h LYS 299 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1jrg h LYS 299 CO 0.00 0.00 0.00 -0.39 -0.57 0.00 0.00 179.45 178.49 1jrg h VAL 300 N 0.00 0.00 -3.28 0.50 -1.51 -1.63 -3.38 116.25 106.96 1jrg h VAL 300 Ca 0.00 -0.42 -0.63 0.00 -1.23 0.00 0.00 66.70 64.42 1jrg h VAL 300 Cb 0.64 1.30 -0.36 0.00 -2.13 0.00 0.00 31.29 30.73 1jrg h VAL 300 CO 0.00 0.00 -0.83 -0.69 -1.23 0.00 0.00 177.57 174.82 1jrg s VAL 301 N -3.29 1.77 -0.18 7.19 1.01 -1.04 -1.21 120.40 124.65 1jrg s VAL 301 Ca 0.06 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 1jrg s VAL 301 Cb 0.10 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1jrg s VAL 301 CO 0.50 0.33 -0.05 -0.75 0.00 0.00 0.00 175.10 175.14 1jrg s LYS 302 N 1.37 3.50 0.14 2.72 2.20 0.19 -4.95 119.74 124.91 1jrg s LYS 302 Ca 0.02 -0.59 -0.18 0.00 -0.36 0.00 0.00 55.97 54.86 1jrg s LYS 302 Cb -0.15 -2.92 -0.07 0.00 -1.51 0.00 0.00 37.83 33.18 1jrg s LYS 302 CO -0.10 0.04 0.61 0.21 -0.36 0.00 0.00 175.35 175.75 1jrg s LYS 303 N 0.88 4.14 0.00 4.03 2.20 -1.26 -0.51 119.74 129.22 1jrg s LYS 303 Ca -0.01 0.69 0.00 0.00 -0.36 0.00 0.00 55.97 56.29 1jrg s LYS 303 Cb -0.15 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 1jrg s LYS 303 CO 0.01 0.51 0.00 1.19 -0.36 0.00 0.00 175.35 176.70 1jrg n PHE 304 N 1.10 0.00 -0.02 4.03 3.72 0.13 -4.86 117.46 121.56 1jrg n PHE 304 Ca -0.06 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.37 1jrg n PHE 304 Cb 0.51 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.11 1jrg n PHE 304 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1jrg n ASN 305 N 0.00 2.23 -4.44 4.37 4.13 -1.14 -4.96 115.26 115.45 1jrg n ASN 305 Ca 0.00 -1.84 -0.16 0.00 1.68 0.00 0.00 54.58 54.26 1jrg n ASN 305 Cb 0.00 -0.09 0.05 0.00 -1.54 0.00 0.00 39.78 38.21 1jrg n ASN 305 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jrg n GLY 306 N 0.05 2.00 0.00 7.41 0.00 -0.65 -3.86 105.19 110.13 1jrg n GLY 306 Ca 0.05 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1jrg n GLY 306 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jrg n SER 307 N -2.41 0.00 -4.59 1.61 3.41 -1.26 -4.85 113.62 105.53 1jrg n SER 307 Ca 0.13 -0.35 -0.40 0.00 -0.26 0.00 0.00 58.87 57.99 1jrg n SER 307 Cb 0.50 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.37 1jrg n SER 307 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1jrg s ILE 308 N 0.00 5.10 -0.29 -1.33 -1.09 -1.25 0.34 121.20 122.68 1jrg s ILE 308 Ca 0.00 0.54 -0.14 0.00 -2.23 0.00 0.00 60.65 58.83 1jrg s ILE 308 Cb 0.00 -3.82 0.10 0.00 -1.58 0.00 0.00 42.46 37.17 1jrg s ILE 308 CO 0.00 0.01 0.69 0.12 -1.23 0.00 0.00 174.94 174.53 1jrg s PHE 309 N 2.22 -1.15 0.01 3.97 5.36 0.40 -2.81 117.98 125.98 1jrg s PHE 309 Ca 0.17 2.16 0.02 0.00 -0.96 0.00 0.00 56.93 58.32 1jrg s PHE 309 Cb -0.16 0.69 -0.01 0.00 -0.34 0.00 0.00 43.02 43.20 1jrg s PHE 309 CO 0.11 -0.57 -0.06 -1.12 -1.46 0.00 0.00 175.22 172.12 1jrg s SER 310 N 2.12 0.68 -0.03 6.13 0.01 -0.86 -4.43 113.70 117.33 1jrg s SER 310 Ca -0.08 -0.20 0.01 0.00 1.31 0.00 0.00 55.95 56.98 1jrg s SER 310 Cb -0.08 -0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.13 1jrg s SER 310 CO -0.19 0.00 -0.01 -0.62 0.41 0.00 0.00 173.24 172.83 1jrg s ASP 311 N -0.47 0.45 -0.12 2.44 -1.08 -1.26 -0.72 116.67 115.92 1jrg s ASP 311 Ca -0.01 -0.04 -0.01 0.00 -0.52 0.00 0.00 52.55 51.97 1jrg s ASP 311 Cb -0.04 -0.21 0.03 0.00 -1.46 0.00 0.00 42.92 41.24 1jrg s ASP 311 CO -0.00 -0.07 -0.06 0.20 0.52 0.00 0.00 175.17 175.76 1jrg s ASN 312 N 0.79 2.22 -0.10 -0.34 0.01 -0.70 -4.78 114.94 112.03 1jrg s ASN 312 Ca -0.08 -0.34 0.00 0.00 -0.71 0.00 0.00 52.86 51.73 1jrg s ASN 312 Cb -0.11 -0.81 0.00 0.00 0.41 0.00 0.00 41.25 40.74 1jrg s ASN 312 CO -0.01 -0.14 0.00 0.61 -1.51 0.00 0.00 177.10 176.05 1jrg n GLY 313 N 4.96 0.49 3.85 0.66 0.00 -1.26 -1.70 105.19 112.20 1jrg n GLY 313 Ca -0.12 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 1jrg n GLY 313 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jrg s SER 314 N -2.46 6.51 0.11 1.61 0.01 -1.26 -3.88 113.70 114.34 1jrg s SER 314 Ca 0.00 1.46 0.10 0.00 1.31 0.00 0.00 55.95 58.83 1jrg s SER 314 Cb 0.00 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 1jrg s SER 314 CO 0.00 -0.63 -0.26 -0.69 0.41 0.00 0.00 173.24 172.07 1jrg s VAL 315 N -2.73 2.19 -0.19 3.43 1.01 0.04 -1.57 120.40 122.58 1jrg s VAL 315 Ca 0.57 -1.68 -0.00 0.00 0.00 0.00 0.00 61.98 60.86 1jrg s VAL 315 Cb -0.10 -1.93 0.05 0.00 0.00 0.00 0.00 36.38 34.40 1jrg s VAL 315 CO 0.37 0.12 -0.05 -0.22 0.00 0.00 0.00 175.10 175.32 1jrg s LEU 316 N -1.92 1.91 -1.47 3.92 2.96 -0.68 -0.57 118.68 122.82 1jrg s LEU 316 Ca 0.13 -0.86 -0.11 0.00 -0.22 0.00 0.00 54.13 53.08 1jrg s LEU 316 Cb -0.10 -0.98 0.06 0.00 0.50 0.00 0.00 46.19 45.67 1jrg s LEU 316 CO 0.05 -0.21 0.96 0.59 -1.32 0.00 0.00 176.35 176.42 1jrg n ASN 317 N 4.82 -4.33 0.00 3.68 3.02 0.22 -2.23 115.26 120.45 1jrg n ASN 317 Ca -0.12 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 1jrg n ASN 317 Cb 0.46 -4.05 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 1jrg n ASN 317 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jrg n GLY 318 N -1.70 0.65 2.81 7.41 0.00 -1.26 -5.04 105.19 108.05 1jrg n GLY 318 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 1jrg n GLY 318 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jrg s SER 319 N -2.16 0.51 -0.13 1.61 0.01 -0.94 -5.10 113.70 107.50 1jrg s SER 319 Ca 0.00 -0.03 -0.41 0.00 1.31 0.00 0.00 55.95 56.82 1jrg s SER 319 Cb 0.00 -0.23 -0.19 0.00 0.21 0.00 0.00 66.02 65.81 1jrg s SER 319 CO 0.00 -0.11 1.32 0.00 0.41 0.00 0.00 173.24 174.86 1jrg n ALA 320 N 4.21 -2.25 -2.59 1.44 0.00 -1.26 -1.69 120.51 118.38 1jrg n ALA 320 Ca -0.25 0.54 -0.30 0.00 0.00 0.00 0.00 53.44 53.42 1jrg n ALA 320 Cb 0.50 -1.91 -0.10 0.00 0.00 0.00 0.00 19.45 17.95 1jrg n ALA 320 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1jrg s VAL 321 N 1.17 3.47 -0.45 0.00 0.11 -0.61 -4.82 120.40 119.27 1jrg s VAL 321 Ca 0.94 -1.10 -0.12 0.00 -2.93 0.00 0.00 61.98 58.76 1jrg s VAL 321 Cb -1.24 -2.59 0.08 0.00 -1.53 0.00 0.00 36.38 31.10 1jrg s VAL 321 CO 0.62 0.20 0.33 -0.62 -3.33 0.00 0.00 175.10 172.30 1jrg s ASP 322 N -1.96 5.89 -0.39 3.54 -1.08 -1.26 -4.60 116.67 116.80 1jrg s ASP 322 Ca 0.20 -1.44 0.05 0.00 -0.52 0.00 0.00 52.55 50.84 1jrg s ASP 322 Cb -0.11 -2.08 0.47 0.00 -1.46 0.00 0.00 42.92 39.74 1jrg s ASP 322 CO 0.12 -0.60 1.51 0.18 0.52 0.00 0.00 175.17 176.90 1jrg n LEU 323 N 5.06 5.45 -0.40 -1.34 4.77 -1.26 -4.50 117.00 124.78 1jrg n LEU 323 Ca -0.11 -4.33 0.08 0.00 -0.03 0.00 0.00 56.01 51.62 1jrg n LEU 323 Cb 0.43 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1jrg n LEU 323 CO 0.43 1.68 0.28 -1.20 -1.33 0.00 0.00 177.39 177.26 1jrg n SER 324 N -0.90 1.71 -1.05 -1.43 7.64 -1.26 -4.38 113.62 113.95 1jrg n SER 324 Ca 0.46 -1.36 -0.03 0.00 1.01 0.00 0.00 58.87 58.95 1jrg n SER 324 Cb 0.92 0.43 0.17 0.00 -1.01 0.00 0.00 64.21 64.72 1jrg n SER 324 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jrg n GLY 325 N 1.15 5.33 0.16 0.23 0.00 -1.26 -4.69 105.19 106.11 1jrg n GLY 325 Ca 0.07 -1.56 0.14 0.00 0.00 0.00 0.00 46.02 44.67 1jrg n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrg n GLY 327 N 1.30 0.97 3.22 0.00 0.00 -1.26 -5.03 105.19 104.38 1jrg n GLY 327 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 1jrg n GLY 327 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jrg s PHE 328 N -1.93 1.12 0.22 1.61 0.40 -1.26 -5.02 117.98 113.12 1jrg s PHE 328 Ca 0.00 -1.00 -0.06 0.00 -0.60 0.00 0.00 56.93 55.26 1jrg s PHE 328 Cb 0.00 -0.64 -0.06 0.00 0.51 0.00 0.00 43.02 42.83 1jrg s PHE 328 CO 0.00 -0.21 0.49 -1.12 0.70 0.00 0.00 175.22 175.08 1jrg s SER 329 N -3.14 6.52 0.40 1.36 0.01 0.15 -4.85 113.70 114.16 1jrg s SER 329 Ca 0.21 0.74 -0.26 0.00 1.31 0.00 0.00 55.95 57.95 1jrg s SER 329 Cb 0.06 -2.15 -0.09 0.00 0.21 0.00 0.00 66.02 64.05 1jrg s SER 329 CO 0.02 -0.07 1.27 0.00 0.41 0.00 0.00 173.24 174.87 1jrg s ALA 330 N -1.85 3.24 -0.14 1.44 0.00 -1.26 -0.45 121.76 122.73 1jrg s ALA 330 Ca 0.44 1.18 -0.29 0.00 0.00 0.00 0.00 51.96 53.28 1jrg s ALA 330 Cb -0.11 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 1jrg s ALA 330 CO 0.25 -0.76 1.34 -0.47 0.00 0.00 0.00 175.76 176.12 1jrg s TYR 331 N -1.29 2.67 -0.10 0.00 6.14 -1.26 -4.72 117.35 118.80 1jrg s TYR 331 Ca 0.57 0.85 0.08 0.00 0.64 0.00 0.00 57.07 59.20 1jrg s TYR 331 Cb -0.37 -3.59 -0.12 0.00 0.42 0.00 0.00 41.96 38.31 1jrg s TYR 331 CO 0.47 -2.13 0.02 0.25 0.64 0.00 0.00 175.55 174.80 1jrg n THR 332 N 5.40 0.67 -1.30 4.34 -2.24 -1.26 -4.96 114.28 114.93 1jrg n THR 332 Ca 0.15 -0.40 -0.36 0.00 -2.27 0.00 0.00 64.05 61.17 1jrg n THR 332 Cb 0.44 -0.76 0.08 0.00 -2.10 0.00 0.00 70.33 68.00 1jrg n THR 332 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1jrg n SER 333 N -2.41 -0.11 -4.91 3.42 3.41 -1.26 -4.97 113.62 106.80 1jrg n SER 333 Ca -0.16 0.63 -0.28 0.00 -0.26 0.00 0.00 58.87 58.80 1jrg n SER 333 Cb 0.81 -1.34 -0.02 0.00 -0.26 0.00 0.00 64.21 63.39 1jrg n SER 333 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1jrg s LYS 334 N -3.18 3.61 -0.30 4.33 -2.85 -1.26 -5.05 119.74 115.03 1jrg s LYS 334 Ca 0.70 0.03 -0.15 0.00 -1.00 0.00 0.00 55.97 55.56 1jrg s LYS 334 Cb -0.34 -2.57 -0.03 0.00 -2.06 0.00 0.00 37.83 32.83 1jrg s LYS 334 CO 0.53 0.09 0.37 0.42 0.10 0.00 0.00 175.35 176.87 1jrg s ILE 335 N -2.28 5.16 0.47 3.79 1.09 -1.26 -4.96 121.20 123.21 1jrg s ILE 335 Ca 0.45 0.35 0.37 0.00 -1.10 0.00 0.00 60.65 60.72 1jrg s ILE 335 Cb -0.10 -3.76 0.40 0.00 -1.06 0.00 0.00 42.46 37.93 1jrg s ILE 335 CO 0.34 0.04 2.21 1.55 -0.10 0.00 0.00 174.94 178.98 1jrg h PRO 336 N 8.31 0.00 -6.30 2.79 0.13 -2.00 -3.44 132.00 131.49 1jrg h PRO 336 Ca -0.31 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.24 1jrg h PRO 336 Cb 1.15 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.18 1jrg h PRO 336 CO 0.67 0.02 -0.65 1.52 -0.23 0.00 0.00 178.00 179.33 1jrg s TYR 337 N -4.08 2.80 0.33 1.56 1.13 -1.26 -5.12 117.35 112.71 1jrg s TYR 337 Ca -0.03 -0.17 -0.19 0.00 -1.41 0.00 0.00 57.07 55.28 1jrg s TYR 337 Cb 0.12 -1.32 -0.09 0.00 -1.10 0.00 0.00 41.96 39.57 1jrg s TYR 337 CO 0.49 0.55 0.81 0.42 -2.51 0.00 0.00 175.55 175.31 1jrg s ILE 338 N -1.93 4.53 0.01 -3.49 1.01 -1.26 -5.00 121.20 115.07 1jrg s ILE 338 Ca 0.29 1.25 -0.24 0.00 0.00 0.00 0.00 60.65 61.94 1jrg s ILE 338 Cb -0.08 -3.69 0.06 0.00 0.01 0.00 0.00 42.46 38.75 1jrg s ILE 338 CO 0.19 -0.12 0.55 -0.72 0.00 0.00 0.00 174.94 174.85 1jrg s TYR 339 N -1.92 -0.48 -0.44 3.97 -0.85 -1.26 -4.73 117.35 111.65 1jrg s TYR 339 Ca 0.54 0.65 -0.09 0.00 -0.52 0.00 0.00 57.07 57.65 1jrg s TYR 339 Cb -0.12 0.35 0.10 0.00 0.38 0.00 0.00 41.96 42.67 1jrg s TYR 339 CO 0.17 -0.61 0.30 0.34 -1.52 0.00 0.00 175.55 174.23 1jrg s ASP 340 N -1.69 5.64 -0.40 -0.18 2.15 -1.26 -5.05 116.67 115.89 1jrg s ASP 340 Ca -0.08 -1.74 -0.25 0.00 0.43 0.00 0.00 52.55 50.90 1jrg s ASP 340 Cb -0.01 -1.99 0.02 0.00 -0.30 0.00 0.00 42.92 40.64 1jrg s ASP 340 CO 0.02 -0.62 0.91 -0.69 -0.17 0.00 0.00 175.17 174.62 1jrg s VAL 341 N 1.37 4.56 0.28 1.11 1.01 -1.26 -5.03 120.40 122.44 1jrg s VAL 341 Ca 0.05 0.99 -0.21 0.00 0.00 0.00 0.00 61.98 62.80 1jrg s VAL 341 Cb -0.25 -4.36 -0.09 0.00 0.00 0.00 0.00 36.38 31.69 1jrg s VAL 341 CO 0.00 -0.64 0.80 -1.10 0.00 0.00 0.00 175.10 174.17 1jrg s GLN 342 N 3.53 4.31 0.29 2.72 -0.21 -1.26 -5.00 119.66 124.04 1jrg s GLN 342 Ca 0.37 0.99 -0.30 0.00 0.02 0.00 0.00 55.36 56.44 1jrg s GLN 342 Cb -0.11 -2.76 -0.11 0.00 1.00 0.00 0.00 33.01 31.03 1jrg s GLN 342 CO 0.21 0.31 1.52 -1.25 -2.12 0.00 0.00 175.29 173.96 1jrg s PRO 343 N -2.20 4.18 -0.34 2.91 0.04 -1.26 -4.81 135.00 133.53 1jrg s PRO 343 Ca 0.48 2.47 -0.29 0.00 0.04 0.00 0.00 61.00 63.69 1jrg s PRO 343 Cb -0.16 -3.05 0.01 0.00 0.04 0.00 0.00 34.50 31.34 1jrg s PRO 343 CO 0.21 -0.53 1.17 1.41 0.04 0.00 0.00 177.00 179.29 1jrg s MET 344 N -0.64 3.95 0.31 4.56 1.75 -1.26 -4.89 119.30 123.09 1jrg s MET 344 Ca 0.60 1.05 0.04 0.00 -1.25 0.00 0.00 55.69 56.13 1jrg s MET 344 Cb -0.45 -3.82 -0.06 0.00 2.84 0.00 0.00 34.83 33.34 1jrg s MET 344 CO 0.48 -1.06 0.05 0.95 -0.65 0.00 0.00 175.02 174.78 1jrg s THR 345 N 4.05 1.20 0.29 10.11 -4.23 -1.26 -4.95 115.64 120.86 1jrg s THR 345 Ca 0.50 -2.01 -0.00 0.00 -1.18 0.00 0.00 61.69 59.00 1jrg s THR 345 Cb -0.13 -2.74 0.28 0.00 1.34 0.00 0.00 72.50 71.25 1jrg s THR 345 CO 0.21 -0.04 1.90 0.74 -0.54 0.00 0.00 174.62 176.89 1jrg h THR 346 N 2.15 1.07 -0.16 3.99 2.02 -1.99 -1.44 112.91 118.56 1jrg h THR 346 Ca -0.41 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 1jrg h THR 346 Cb 1.24 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1jrg h THR 346 CO 0.69 0.19 0.06 -0.08 0.37 0.00 0.00 175.52 176.76 1jrg h GLU 347 N 1.07 0.23 -0.28 6.66 4.57 -1.98 -2.21 114.58 122.64 1jrg h GLU 347 Ca 0.40 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.50 1jrg h GLU 347 Cb 0.19 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1jrg h GLU 347 CO -0.15 0.32 0.05 1.25 -1.18 0.00 0.00 179.01 179.29 1jrg h LEU 348 N 0.10 0.45 -1.11 1.64 5.85 -1.80 -1.51 115.31 118.93 1jrg h LEU 348 Ca 0.05 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.53 1jrg h LEU 348 Cb 0.17 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1jrg h LEU 348 CO -0.00 0.60 0.60 0.00 -0.34 0.00 0.00 178.44 179.29 1jrg h ALA 349 N 0.87 1.38 -0.35 1.25 0.00 -1.28 -0.14 119.26 121.00 1jrg h ALA 349 Ca 0.09 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1jrg h ALA 349 Cb 0.34 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1jrg h ALA 349 CO 0.01 0.56 -0.35 0.37 0.00 0.00 0.00 179.25 179.83 1jrg h GLN 350 N 1.20 0.86 -0.56 0.00 5.75 -1.25 -2.16 115.11 118.95 1jrg h GLN 350 Ca 0.34 -0.45 -0.10 0.00 -0.15 0.00 0.00 58.65 58.29 1jrg h GLN 350 Cb -0.09 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 1jrg h GLN 350 CO -0.09 1.10 -0.04 1.03 -2.65 0.00 0.00 178.83 178.18 1jrg h SER 351 N 0.65 1.00 0.23 -0.69 0.87 -0.91 -0.73 113.55 113.97 1jrg h SER 351 Ca 0.05 -0.32 -0.09 0.00 -1.23 0.00 0.00 61.79 60.20 1jrg h SER 351 Cb 0.94 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 1jrg h SER 351 CO 0.09 1.08 -0.35 -0.29 -0.53 0.00 0.00 176.83 176.83 1jrg h ILE 352 N 0.89 1.28 -0.32 2.23 2.10 -1.01 -1.53 117.51 121.16 1jrg h ILE 352 Ca 0.15 -1.35 -0.14 0.00 1.08 0.00 0.00 64.86 64.60 1jrg h ILE 352 Cb 0.59 1.60 -0.01 0.00 -1.09 0.00 0.00 36.82 37.92 1jrg h ILE 352 CO 0.04 0.40 -0.38 0.74 -1.08 0.00 0.00 178.15 177.87 1jrg h THR 353 N 0.16 1.28 -0.61 2.19 2.02 -1.02 -0.06 112.91 116.88 1jrg h THR 353 Ca 0.02 -1.55 -0.06 0.00 0.77 0.00 0.00 66.41 65.59 1jrg h THR 353 Cb 0.71 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 1jrg h THR 353 CO 0.05 0.50 0.12 0.44 0.37 0.00 0.00 175.52 177.01 1jrg h ASP 354 N 0.62 0.94 1.47 4.18 3.32 -0.70 -3.24 116.42 123.01 1jrg h ASP 354 Ca 0.06 -0.25 -0.08 0.00 0.02 0.00 0.00 57.03 56.78 1jrg h ASP 354 Cb 0.92 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1jrg h ASP 354 CO 0.08 0.94 -0.54 -1.13 -1.72 0.00 0.00 179.24 176.87 1jrg h ASN 355 N 0.89 0.00 -3.89 6.45 -1.24 -1.14 -3.48 115.58 113.17 1jrg h ASN 355 Ca 0.19 0.00 -0.53 0.00 0.71 0.00 0.00 56.30 56.67 1jrg h ASN 355 Cb 0.39 0.00 0.07 0.00 0.73 0.00 0.00 38.32 39.51 1jrg h ASN 355 CO 0.01 0.34 0.66 0.00 -1.29 0.00 0.00 177.43 177.14 1jrg s ALA 356 N -3.06 3.49 0.00 1.57 0.00 -0.05 -4.72 121.76 118.99 1jrg s ALA 356 Ca 0.03 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1jrg s ALA 356 Cb 0.07 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1jrg s ALA 356 CO 0.74 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 176.20 1jrg n GLY 357 N 0.74 0.82 3.80 0.00 0.00 -0.27 -4.76 105.19 105.52 1jrg n GLY 357 Ca 0.00 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 1jrg n GLY 357 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jrg s SER 358 N -0.54 5.78 0.00 1.61 1.04 -0.94 -3.29 113.70 117.35 1jrg s SER 358 Ca 0.00 1.83 0.00 0.00 0.48 0.00 0.00 55.95 58.26 1jrg s SER 358 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1jrg s SER 358 CO 0.00 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.66 1jrg n GLY 359 N -0.92 0.92 0.68 7.32 0.00 -1.26 -4.88 105.19 107.04 1jrg n GLY 359 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.18 1jrg n GLY 359 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jrg n LYS 360 N -2.00 2.00 0.00 1.61 4.76 -1.21 -4.79 118.16 118.54 1jrg n LYS 360 Ca 0.00 -1.80 0.00 0.00 -2.87 0.00 0.00 58.31 53.64 1jrg n LYS 360 Cb 0.00 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 1jrg n LYS 360 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31