#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pum s GLU 2 N 0.00 4.15 -0.17 -0.72 -6.30 -1.26 -4.85 118.70 109.55 1pum s GLU 2 Ca 0.00 2.35 -0.00 0.00 -2.50 0.00 0.00 54.97 54.82 1pum s GLU 2 Cb 0.00 -2.95 0.04 0.00 0.00 0.00 0.00 34.13 31.22 1pum s GLU 2 CO 0.00 -0.41 -0.06 0.50 0.02 0.00 0.00 175.26 175.31 1pum s ARG 3 N -2.03 1.55 -0.10 4.30 3.52 -1.26 -0.76 118.95 124.17 1pum s ARG 3 Ca 0.53 -0.57 -0.02 0.00 -0.13 0.00 0.00 55.73 55.53 1pum s ARG 3 Cb -0.42 -2.08 -0.03 0.00 -1.56 0.00 0.00 34.95 30.86 1pum s ARG 3 CO 0.56 -0.43 -0.02 -0.51 -0.81 0.00 0.00 175.30 174.10 1pum s LEU 4 N 1.59 3.46 0.05 -0.88 1.02 0.37 -4.99 118.68 119.29 1pum s LEU 4 Ca 0.00 0.06 0.06 0.00 0.02 0.00 0.00 54.13 54.27 1pum s LEU 4 Cb -0.15 -1.79 -0.02 0.00 0.02 0.00 0.00 46.19 44.24 1pum s LEU 4 CO -0.08 0.33 -0.16 -0.94 0.02 0.00 0.00 176.35 175.52 1pum s SER 5 N -0.61 1.90 -0.07 2.29 1.04 -1.26 -0.55 113.70 116.44 1pum s SER 5 Ca 0.10 -0.49 -0.00 0.00 0.48 0.00 0.00 55.95 56.03 1pum s SER 5 Cb -0.12 -0.13 0.03 0.00 0.10 0.00 0.00 66.02 65.90 1pum s SER 5 CO 0.02 0.06 -0.03 -0.22 0.98 0.00 0.00 173.24 174.05 1pum s LEU 6 N -1.22 0.92 -0.13 2.42 2.96 0.15 -4.95 118.68 118.82 1pum s LEU 6 Ca 0.03 -0.14 -0.29 0.00 -0.22 0.00 0.00 54.13 53.50 1pum s LEU 6 Cb -0.08 -0.53 -0.01 0.00 0.50 0.00 0.00 46.19 46.07 1pum s LEU 6 CO 0.02 -0.14 1.00 -0.13 -1.32 0.00 0.00 176.35 175.78 1pum s ARG 7 N 1.62 4.39 -0.39 1.98 0.52 -1.26 -2.47 118.95 123.34 1pum s ARG 7 Ca 0.00 1.36 -0.06 0.00 -0.52 0.00 0.00 55.73 56.51 1pum s ARG 7 Cb -0.13 -3.56 0.08 0.00 0.52 0.00 0.00 34.95 31.86 1pum s ARG 7 CO -0.04 -0.37 0.20 -0.08 0.02 0.00 0.00 175.30 175.02 1pum s THR 8 N 2.23 3.80 0.29 0.02 -1.32 0.11 -4.77 115.64 116.00 1pum s THR 8 Ca 0.47 -1.52 -0.03 0.00 -1.21 0.00 0.00 61.69 59.40 1pum s THR 8 Cb -0.18 -3.35 -0.01 0.00 -1.51 0.00 0.00 72.50 67.45 1pum s THR 8 CO 0.15 -0.46 0.37 0.68 -2.21 0.00 0.00 174.62 173.15 1pum s VAL 9 N 1.33 0.00 -2.00 5.08 -7.23 -1.26 -3.40 120.40 112.92 1pum s VAL 9 Ca 0.03 -1.72 0.08 0.00 -1.81 0.00 0.00 61.98 58.56 1pum s VAL 9 Cb -0.22 -2.50 0.21 0.00 0.56 0.00 0.00 36.38 34.43 1pum s VAL 9 CO 0.00 0.00 0.96 0.00 -0.31 0.00 0.00 175.10 175.76 1pum n GLN 10 N -0.47 0.60 -0.00 4.82 3.00 -1.26 -1.41 117.38 122.65 1pum n GLN 10 Ca 0.02 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.03 1pum n GLN 10 Cb 0.63 -1.20 -0.03 0.00 0.00 0.00 0.00 30.24 29.65 1pum n GLN 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1pum n GLN 11 N -0.70 5.26 -1.69 -1.09 3.00 -1.26 -5.01 117.38 115.89 1pum n GLN 11 Ca 0.06 -0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.61 1pum n GLN 11 Cb 0.03 -0.73 -0.02 0.00 0.00 0.00 0.00 30.24 29.52 1pum n GLN 11 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1pum n THR 12 N -1.13 1.16 -3.73 5.09 -1.04 -0.50 -4.97 114.28 109.15 1pum n THR 12 Ca 0.01 -0.29 -0.20 0.00 -2.04 0.00 0.00 64.05 61.52 1pum n THR 12 Cb 0.07 -1.58 -0.01 0.00 -1.82 0.00 0.00 70.33 66.98 1pum n THR 12 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1pum s THR 13 N -0.24 4.79 0.21 12.58 -4.23 -1.26 -4.82 115.64 122.67 1pum s THR 13 Ca 0.65 -0.95 -0.10 0.00 -1.18 0.00 0.00 61.69 60.11 1pum s THR 13 Cb -0.61 -3.69 0.14 0.00 1.34 0.00 0.00 72.50 69.69 1pum s THR 13 CO 0.52 -0.28 1.83 1.23 -0.54 0.00 0.00 174.62 177.38 1pum h GLY 14 N 1.03 0.99 0.87 3.99 0.00 -1.86 -2.02 103.07 106.07 1pum h GLY 14 Ca -0.49 -0.29 0.03 0.00 0.00 0.00 0.00 47.33 46.57 1pum h GLY 14 CO 0.58 0.22 0.32 0.00 0.00 0.00 0.00 176.54 177.66 1pum h ALA 15 N 1.32 0.69 -0.65 3.60 0.00 -1.94 0.79 119.26 123.07 1pum h ALA 15 Ca 0.29 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1pum h ALA 15 Cb 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1pum h ALA 15 CO -0.14 0.03 0.41 0.93 0.00 0.00 0.00 179.25 180.48 1pum h GLU 16 N 0.64 0.78 -0.24 0.00 5.08 -1.78 0.46 114.58 119.51 1pum h GLU 16 Ca 0.22 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1pum h GLU 16 Cb 0.03 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1pum h GLU 16 CO -0.10 0.52 0.07 -0.92 -1.00 0.00 0.00 179.01 177.58 1pum h TYR 17 N 0.80 0.39 -0.10 4.33 3.20 -0.92 -1.72 116.97 122.95 1pum h TYR 17 Ca 0.26 -0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.11 1pum h TYR 17 Cb 0.00 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 1pum h TYR 17 CO -0.05 0.46 -0.06 0.35 -1.64 0.00 0.00 178.16 177.22 1pum h PHE 18 N 0.22 -0.14 -0.59 -3.82 3.04 -0.22 -0.42 116.94 115.00 1pum h PHE 18 Ca 0.08 0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.15 1pum h PHE 18 Cb 0.25 0.08 -0.08 0.00 2.56 0.00 0.00 35.95 38.76 1pum h PHE 18 CO 0.01 -0.09 0.12 1.03 -2.02 0.00 0.00 178.31 177.35 1pum h SER 19 N -0.06 -0.00 -0.11 0.41 0.87 0.03 0.14 113.55 114.83 1pum h SER 19 Ca 0.06 0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 1pum h SER 19 Cb 0.15 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1pum h SER 19 CO -0.14 0.01 0.02 0.15 -0.53 0.00 0.00 176.83 176.34 1pum h PHE 20 N 0.25 0.03 -0.59 2.24 3.57 -0.55 -0.55 116.94 121.35 1pum h PHE 20 Ca 0.31 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.74 1pum h PHE 20 Cb 0.45 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1pum h PHE 20 CO -0.25 0.01 0.08 0.82 -2.23 0.00 0.00 178.31 176.74 1pum h ILE 21 N 0.07 1.25 -0.58 1.41 1.08 -0.24 -1.88 117.51 118.62 1pum h ILE 21 Ca 0.05 -1.00 0.01 0.00 -0.39 0.00 0.00 64.86 63.53 1pum h ILE 21 Cb 0.05 0.71 -0.03 0.00 -3.07 0.00 0.00 36.82 34.48 1pum h ILE 21 CO -0.07 0.37 0.37 0.74 -0.69 0.00 0.00 178.15 178.87 1pum h THR 22 N 0.91 1.12 -0.74 -0.27 2.02 -0.39 -0.40 112.91 115.17 1pum h THR 22 Ca 0.18 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 67.05 1pum h THR 22 Cb 0.43 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1pum h THR 22 CO 0.01 0.14 0.26 -0.07 0.37 0.00 0.00 175.52 176.23 1pum h LEU 23 N 0.76 1.04 -0.51 2.58 3.38 -0.80 0.13 115.31 121.90 1pum h LEU 23 Ca 0.22 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1pum h LEU 23 Cb -0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 1pum h LEU 23 CO -0.06 0.95 0.29 0.25 0.09 0.00 0.00 178.44 179.96 1pum h LEU 24 N 1.09 0.63 -0.25 1.67 5.85 -0.50 0.19 115.31 123.98 1pum h LEU 24 Ca 0.24 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1pum h LEU 24 Cb 0.26 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1pum h LEU 24 CO -0.01 0.53 0.12 0.03 -0.34 0.00 0.00 178.44 178.77 1pum h ARG 25 N 0.68 0.36 0.09 1.25 3.08 -0.72 -1.61 114.38 117.52 1pum h ARG 25 Ca 0.18 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.20 1pum h ARG 25 Cb 0.03 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 1pum h ARG 25 CO -0.03 0.36 -0.41 -0.44 -1.07 0.00 0.00 179.97 178.37 1pum h ASP 26 N 0.28 -1.23 -0.51 7.04 3.32 -0.56 0.90 116.42 125.65 1pum h ASP 26 Ca 0.09 0.14 0.05 0.00 0.02 0.00 0.00 57.03 57.32 1pum h ASP 26 Cb 0.12 0.47 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 1pum h ASP 26 CO -0.01 -0.48 0.25 0.15 -1.72 0.00 0.00 179.24 177.43 1pum h PHE 27 N -0.63 0.47 0.00 4.55 3.04 -0.83 -1.45 116.94 122.09 1pum h PHE 27 Ca 0.03 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1pum h PHE 27 Cb 0.67 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.04 1pum h PHE 27 CO -0.38 0.23 0.00 1.33 -2.02 0.00 0.00 178.31 177.47 1pum n VAL 28 N -4.89 0.12 -2.22 1.41 0.24 -0.62 -4.77 118.33 107.60 1pum n VAL 28 Ca 0.04 0.03 -0.42 0.00 -2.04 0.00 0.00 64.34 61.95 1pum n VAL 28 Cb 0.14 -0.59 -0.03 0.00 -1.47 0.00 0.00 33.84 31.89 1pum n VAL 28 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1pum s SER 29 N -2.50 6.85 0.40 -1.34 0.01 0.28 -4.01 113.70 113.39 1pum s SER 29 Ca 0.27 2.10 0.21 0.00 1.31 0.00 0.00 55.95 59.84 1pum s SER 29 Cb 0.18 -2.56 0.78 0.00 0.21 0.00 0.00 66.02 64.63 1pum s SER 29 CO 0.40 -0.73 1.77 0.77 0.41 0.00 0.00 173.24 175.86 1pum h SER 30 N 7.92 0.00 0.00 2.44 4.64 -1.59 -3.47 113.55 123.49 1pum h SER 30 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1pum h SER 30 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1pum h SER 30 CO 0.91 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 177.78 1pum n GLY 31 N 0.19 2.69 3.93 -0.77 0.00 -1.26 -4.98 105.19 104.99 1pum n GLY 31 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1pum n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pum s SER 32 N -0.77 5.96 0.14 1.61 0.01 -1.26 -5.01 113.70 114.39 1pum s SER 32 Ca 0.00 0.62 -0.03 0.00 1.31 0.00 0.00 55.95 57.85 1pum s SER 32 Cb 0.00 -1.87 -0.03 0.00 0.21 0.00 0.00 66.02 64.33 1pum s SER 32 CO 0.00 -0.71 0.11 -0.36 0.41 0.00 0.00 173.24 172.70 1pum s PHE 33 N -2.70 0.73 -0.05 2.43 0.40 -1.26 -1.89 117.98 115.64 1pum s PHE 33 Ca 0.48 -1.11 -0.01 0.00 -0.60 0.00 0.00 56.93 55.70 1pum s PHE 33 Cb -0.10 -0.37 0.03 0.00 0.51 0.00 0.00 43.02 43.09 1pum s PHE 33 CO 0.42 -0.57 0.02 0.45 0.70 0.00 0.00 175.22 176.24 1pum s SER 34 N -3.02 1.12 -1.37 1.36 0.15 -0.61 -4.80 113.70 106.52 1pum s SER 34 Ca 0.22 -0.01 -0.12 0.00 0.70 0.00 0.00 55.95 56.74 1pum s SER 34 Cb 0.06 -0.27 0.10 0.00 -1.71 0.00 0.00 66.02 64.21 1pum s SER 34 CO 0.01 -0.19 0.57 0.59 1.20 0.00 0.00 173.24 175.42 1pum n ASN 35 N 4.95 -3.40 0.00 5.45 4.13 -1.26 -0.68 115.26 124.44 1pum n ASN 35 Ca -0.10 -0.57 0.00 0.00 1.68 0.00 0.00 54.58 55.58 1pum n ASN 35 Cb 0.50 -2.82 0.00 0.00 -1.54 0.00 0.00 39.78 35.92 1pum n ASN 35 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pum n GLN 36 N -3.89 -0.01 -4.36 3.52 6.02 -1.26 -5.04 117.38 112.36 1pum n GLN 36 Ca 0.02 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.68 1pum n GLN 36 Cb 0.52 -2.90 -0.13 0.00 1.02 0.00 0.00 30.24 28.75 1pum n GLN 36 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1pum s ILE 37 N -2.47 3.73 0.41 5.09 1.01 0.14 -5.05 121.20 124.06 1pum s ILE 37 Ca 0.00 -0.41 -0.24 0.00 0.00 0.00 0.00 60.65 60.00 1pum s ILE 37 Cb 0.00 -2.64 -0.11 0.00 0.01 0.00 0.00 42.46 39.72 1pum s ILE 37 CO 0.00 0.48 0.89 -2.65 0.00 0.00 0.00 174.94 173.66 1pum n PRO 38 N 3.75 1.12 -4.51 2.79 -0.02 -1.26 -1.58 135.00 135.30 1pum n PRO 38 Ca -0.17 0.40 -0.30 0.00 -2.02 0.00 0.00 63.50 61.41 1pum n PRO 38 Cb 0.52 -1.88 -0.12 0.00 -0.02 0.00 0.00 33.50 32.00 1pum n PRO 38 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1pum s LEU 39 N 0.13 2.63 0.63 2.45 1.43 -0.79 -0.82 118.68 124.34 1pum s LEU 39 Ca 0.63 -0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 53.14 1pum s LEU 39 Cb -0.58 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 1pum s LEU 39 CO 0.57 0.22 1.01 -0.76 0.23 0.00 0.00 176.35 177.62 1pum s LEU 40 N -1.75 3.14 0.81 1.79 1.43 -0.18 -1.61 118.68 122.31 1pum s LEU 40 Ca 0.16 1.12 -0.13 0.00 -1.03 0.00 0.00 54.13 54.25 1pum s LEU 40 Cb -0.10 -4.02 0.07 0.00 0.03 0.00 0.00 46.19 42.16 1pum s LEU 40 CO 0.07 -1.06 1.09 0.54 0.23 0.00 0.00 176.35 177.22 1pum n ARG 41 N -2.77 0.15 -2.10 1.70 1.74 -1.26 -4.32 116.66 109.80 1pum n ARG 41 Ca 0.05 0.12 -0.38 0.00 -0.77 0.00 0.00 57.85 56.88 1pum n ARG 41 Cb 0.56 -2.34 0.00 0.00 -1.02 0.00 0.00 32.46 29.66 1pum n ARG 41 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1pum s GLN 42 N -3.96 3.73 0.00 5.56 -0.21 -1.26 -4.61 119.66 118.91 1pum s GLN 42 Ca 0.71 1.99 0.00 0.00 0.02 0.00 0.00 55.36 58.09 1pum s GLN 42 Cb -0.29 -2.52 0.00 0.00 1.00 0.00 0.00 33.01 31.20 1pum s GLN 42 CO 0.53 -0.63 0.28 -1.13 -2.12 0.00 0.00 175.29 172.21 1pum n SER 43 N -0.34 0.63 -0.48 5.90 3.41 -1.26 -2.80 113.62 118.68 1pum n SER 43 Ca 0.06 -0.96 0.12 0.00 -0.26 0.00 0.00 58.87 57.84 1pum n SER 43 Cb 0.46 -0.24 0.21 0.00 -0.26 0.00 0.00 64.21 64.38 1pum n SER 43 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1pum n THR 44 N 0.34 0.00 -2.02 6.66 -2.24 -1.26 -4.92 114.28 110.84 1pum n THR 44 Ca 0.00 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 1pum n THR 44 Cb 0.14 0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 1pum n THR 44 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1pum s ILE 45 N -2.35 2.72 0.36 2.28 1.01 -1.12 -4.97 121.20 119.13 1pum s ILE 45 Ca 0.24 0.58 -0.26 0.00 0.00 0.00 0.00 60.65 61.21 1pum s ILE 45 Cb 0.19 -3.37 -0.09 0.00 0.01 0.00 0.00 42.46 39.20 1pum s ILE 45 CO 0.48 0.08 1.09 -2.16 0.00 0.00 0.00 174.94 174.43 1pum s PRO 46 N 0.07 4.31 0.57 2.79 0.04 -1.26 -4.90 135.00 136.62 1pum s PRO 46 Ca 0.62 1.67 0.27 0.00 0.04 0.00 0.00 61.00 63.60 1pum s PRO 46 Cb -0.42 -2.79 1.53 0.00 0.04 0.00 0.00 34.50 32.87 1pum s PRO 46 CO 0.39 -0.05 2.04 -0.39 0.04 0.00 0.00 177.00 179.03 1pum h VAL 47 N 2.52 0.56 0.00 -0.36 -1.51 -1.93 0.20 116.25 115.73 1pum h VAL 47 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1pum h VAL 47 Cb 1.22 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.16 1pum h VAL 47 CO 0.64 0.00 0.00 0.77 -1.23 0.00 0.00 177.57 177.75 1pum h SER 48 N 0.00 0.00 -2.39 4.19 4.64 -1.92 -3.46 113.55 114.61 1pum h SER 48 Ca 0.15 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.85 1pum h SER 48 Cb 0.71 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.90 1pum h SER 48 CO -0.00 0.00 0.18 1.21 -0.87 0.00 0.00 176.83 177.35 1pum n GLU 49 N -2.76 1.36 0.00 4.77 0.00 0.70 -4.83 120.64 119.88 1pum n GLU 49 Ca 0.02 0.48 0.11 0.00 0.00 0.00 0.00 57.16 57.77 1pum n GLU 49 Cb 0.34 -1.89 0.63 0.00 0.00 0.00 0.00 31.44 30.53 1pum n GLU 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pum n GLY 50 N 1.40 -0.78 0.60 8.31 0.00 -1.26 -2.99 105.19 110.48 1pum n GLY 50 Ca 0.11 -0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.04 1pum n GLY 50 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pum n GLN 51 N -1.08 0.64 0.26 1.61 6.02 -1.26 -4.44 117.38 119.12 1pum n GLN 51 Ca 0.15 -2.05 0.16 0.00 -0.01 0.00 0.00 57.00 55.25 1pum n GLN 51 Cb 0.10 -0.87 0.58 0.00 1.02 0.00 0.00 30.24 31.07 1pum n GLN 51 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1pum h ARG 52 N 0.38 0.00 -4.84 -1.09 9.65 -1.85 -3.45 114.38 113.18 1pum h ARG 52 Ca -0.05 0.00 -0.32 0.00 -1.10 0.00 0.00 59.98 58.51 1pum h ARG 52 Cb 1.32 0.00 -0.21 0.00 -1.39 0.00 0.00 29.97 29.69 1pum h ARG 52 CO 0.02 0.00 -0.75 -0.06 2.80 0.00 0.00 179.97 181.98 1pum s PHE 53 N -3.56 0.88 -0.04 2.20 0.08 -1.26 -2.09 117.98 114.19 1pum s PHE 53 Ca 0.03 -0.51 0.06 0.00 0.12 0.00 0.00 56.93 56.62 1pum s PHE 53 Cb 0.08 -0.51 -0.02 0.00 -0.57 0.00 0.00 43.02 42.01 1pum s PHE 53 CO 0.56 -0.04 -0.22 0.08 -0.10 0.00 0.00 175.22 175.50 1pum s VAL 54 N -1.50 2.35 -0.21 -0.44 1.01 -0.47 -4.25 120.40 116.89 1pum s VAL 54 Ca -0.06 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 60.86 1pum s VAL 54 Cb -0.09 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1pum s VAL 54 CO 0.01 0.58 0.11 -0.76 0.00 0.00 0.00 175.10 175.03 1pum s LEU 55 N -0.47 3.96 -0.23 3.92 1.02 0.06 -0.82 118.68 126.11 1pum s LEU 55 Ca 0.06 0.10 -0.03 0.00 0.02 0.00 0.00 54.13 54.27 1pum s LEU 55 Cb -0.11 -2.03 0.00 0.00 0.02 0.00 0.00 46.19 44.07 1pum s LEU 55 CO 0.01 0.13 -0.05 -0.69 0.02 0.00 0.00 176.35 175.77 1pum s VAL 56 N 0.67 3.23 -0.21 -1.59 1.01 0.09 -0.48 120.40 123.12 1pum s VAL 56 Ca 0.06 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 1pum s VAL 56 Cb -0.13 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1pum s VAL 56 CO 0.01 0.36 -0.05 -0.70 0.00 0.00 0.00 175.10 174.72 1pum s GLU 57 N 1.44 3.38 -0.12 2.72 2.12 0.28 -0.08 118.70 128.44 1pum s GLU 57 Ca 0.04 -0.63 -0.01 0.00 0.36 0.00 0.00 54.97 54.73 1pum s GLU 57 Cb -0.15 -2.97 -0.03 0.00 0.26 0.00 0.00 34.13 31.25 1pum s GLU 57 CO -0.04 -0.16 -0.07 -0.51 -0.54 0.00 0.00 175.26 173.95 1pum s LEU 58 N 1.36 3.10 -0.07 2.70 1.43 -0.58 -0.68 118.68 125.94 1pum s LEU 58 Ca 0.04 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 1pum s LEU 58 Cb -0.14 -1.71 0.02 0.00 0.03 0.00 0.00 46.19 44.38 1pum s LEU 58 CO -0.03 0.24 -0.11 -0.89 0.23 0.00 0.00 176.35 175.79 1pum s THR 59 N -0.09 1.08 0.75 5.49 2.01 -1.03 -1.95 115.64 121.90 1pum s THR 59 Ca 0.01 -0.43 -0.01 0.00 0.31 0.00 0.00 61.69 61.56 1pum s THR 59 Cb -0.13 -1.01 0.14 0.00 0.01 0.00 0.00 72.50 71.51 1pum s THR 59 CO 0.03 0.35 1.03 0.54 -0.69 0.00 0.00 174.62 175.88 1pum s ASN 60 N 0.81 4.19 0.42 3.53 6.03 0.11 0.07 114.94 130.10 1pum s ASN 60 Ca -0.12 -0.40 0.11 0.00 -1.03 0.00 0.00 52.86 51.43 1pum s ASN 60 Cb -0.15 0.10 0.96 0.00 -3.03 0.00 0.00 41.25 39.13 1pum s ASN 60 CO 0.02 -1.98 2.00 0.00 -2.03 0.00 0.00 177.10 175.10 1pum h ALA 61 N -0.63 1.91 0.00 3.54 0.00 -1.89 -0.06 119.26 122.13 1pum h ALA 61 Ca -0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1pum h ALA 61 Cb 1.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1pum h ALA 61 CO 0.38 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1pum n GLY 62 N -1.50 -0.86 1.43 0.00 0.00 -1.26 -4.84 105.19 98.17 1pum n GLY 62 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1pum n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pum n GLY 63 N 0.33 0.76 3.77 -0.02 0.00 -0.03 -5.03 105.19 104.96 1pum n GLY 63 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1pum n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pum s ASP 64 N -2.63 6.96 0.00 1.61 -0.00 -1.26 -4.79 116.67 116.57 1pum s ASP 64 Ca 0.00 2.31 -0.01 0.00 -0.00 0.00 0.00 52.55 54.85 1pum s ASP 64 Cb 0.00 -2.62 -0.01 0.00 -0.00 0.00 0.00 42.92 40.29 1pum s ASP 64 CO 0.00 -0.37 0.01 -0.44 -0.00 0.00 0.00 175.17 174.37 1pum s SER 65 N -0.99 0.07 0.04 0.27 0.01 -1.26 -0.71 113.70 111.13 1pum s SER 65 Ca 0.50 -0.16 -0.03 0.00 1.31 0.00 0.00 55.95 57.57 1pum s SER 65 Cb -0.31 0.07 -0.02 0.00 0.21 0.00 0.00 66.02 65.96 1pum s SER 65 CO 0.40 -0.12 0.04 0.27 0.41 0.00 0.00 173.24 174.23 1pum s ILE 66 N -0.56 0.15 -0.09 1.44 -4.36 -0.82 -4.54 121.20 112.42 1pum s ILE 66 Ca -0.06 -1.24 0.01 0.00 -0.26 0.00 0.00 60.65 59.09 1pum s ILE 66 Cb -0.04 -0.93 0.02 0.00 1.25 0.00 0.00 42.46 42.76 1pum s ILE 66 CO -0.00 -0.69 -0.09 -0.89 0.24 0.00 0.00 174.94 173.52 1pum s THR 67 N -2.73 0.98 -0.06 8.37 2.01 -0.25 -1.53 115.64 122.44 1pum s THR 67 Ca -0.04 -0.32 -0.08 0.00 0.31 0.00 0.00 61.69 61.56 1pum s THR 67 Cb -0.01 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.49 1pum s THR 67 CO -0.05 0.34 0.23 0.00 -0.69 0.00 0.00 174.62 174.45 1pum s ALA 68 N 1.27 3.84 -0.26 7.40 0.00 0.88 0.67 121.76 135.56 1pum s ALA 68 Ca -0.04 -0.55 -0.10 0.00 0.00 0.00 0.00 51.96 51.28 1pum s ALA 68 Cb -0.14 -2.07 -0.05 0.00 0.00 0.00 0.00 23.12 20.86 1pum s ALA 68 CO -0.03 0.61 0.16 0.00 0.00 0.00 0.00 175.76 176.49 1pum s ALA 69 N -1.12 3.49 -0.19 0.00 0.00 0.28 -0.73 121.76 123.49 1pum s ALA 69 Ca 0.20 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.11 1pum s ALA 69 Cb -0.13 -2.35 -0.02 0.00 0.00 0.00 0.00 23.12 20.62 1pum s ALA 69 CO 0.10 -0.40 -0.04 0.42 0.00 0.00 0.00 175.76 175.83 1pum s ILE 70 N 1.47 3.58 -0.24 0.00 1.01 -0.00 -0.29 121.20 126.72 1pum s ILE 70 Ca 0.07 -0.44 -0.29 0.00 0.00 0.00 0.00 60.65 59.98 1pum s ILE 70 Cb -0.15 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 1pum s ILE 70 CO 0.08 0.45 1.66 -0.62 0.00 0.00 0.00 174.94 176.51 1pum s ASP 71 N 0.96 6.27 0.56 3.58 -1.08 0.13 -1.37 116.67 125.71 1pum s ASP 71 Ca 0.00 1.56 0.36 0.00 -0.52 0.00 0.00 52.55 53.95 1pum s ASP 71 Cb -0.15 -2.53 1.97 0.00 -1.46 0.00 0.00 42.92 40.76 1pum s ASP 71 CO 0.01 -1.36 2.11 1.62 0.52 0.00 0.00 175.17 178.07 1pum h VAL 72 N 6.30 0.00 0.00 1.11 3.04 -1.75 0.30 116.25 125.25 1pum h VAL 72 Ca -0.34 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 1pum h VAL 72 Cb 1.16 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 31.24 1pum h VAL 72 CO 1.01 0.00 -0.37 0.35 -1.01 0.00 0.00 177.57 177.55 1pum n THR 73 N -2.80 0.12 -1.43 3.17 -2.24 -1.26 -4.23 114.28 105.61 1pum n THR 73 Ca -0.02 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1pum n THR 73 Cb 0.09 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 1pum n THR 73 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1pum n ASN 74 N -1.68 0.00 -0.76 3.42 2.04 -0.92 -4.63 115.26 112.73 1pum n ASN 74 Ca 0.05 -0.84 -0.10 0.00 -0.44 0.00 0.00 54.58 53.26 1pum n ASN 74 Cb 0.37 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.57 1pum n ASN 74 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1pum n LEU 75 N 0.00 -0.58 -4.81 -4.53 4.77 1.00 -4.99 117.00 107.86 1pum n LEU 75 Ca 0.00 0.24 -0.33 0.00 -0.03 0.00 0.00 56.01 55.89 1pum n LEU 75 Cb 0.21 -1.90 -0.04 0.00 -2.33 0.00 0.00 43.42 39.36 1pum n LEU 75 CO 0.00 -0.66 0.69 -0.31 -1.33 0.00 0.00 177.39 175.78 1pum s TYR 76 N -2.22 3.15 -0.20 -1.77 1.51 -1.24 -4.74 117.35 111.84 1pum s TYR 76 Ca 0.00 1.57 -0.20 0.00 -1.01 0.00 0.00 57.07 57.43 1pum s TYR 76 Cb 0.00 -2.96 -0.03 0.00 -0.11 0.00 0.00 41.96 38.86 1pum s TYR 76 CO 0.00 -0.56 0.59 0.08 -1.11 0.00 0.00 175.55 174.54 1pum s VAL 77 N -2.15 5.05 -0.03 0.71 1.01 -1.26 -0.70 120.40 123.03 1pum s VAL 77 Ca 0.64 1.10 0.17 0.00 0.00 0.00 0.00 61.98 63.89 1pum s VAL 77 Cb -0.13 -3.91 -0.26 0.00 0.00 0.00 0.00 36.38 32.08 1pum s VAL 77 CO 0.20 0.14 0.37 1.33 0.00 0.00 0.00 175.10 177.14 1pum n VAL 78 N 4.62 0.02 -3.62 2.92 0.24 0.60 -4.75 118.33 118.36 1pum n VAL 78 Ca -0.03 -0.40 -0.01 0.00 -2.04 0.00 0.00 64.34 61.87 1pum n VAL 78 Cb 0.50 0.10 -0.01 0.00 -1.47 0.00 0.00 33.84 32.96 1pum n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pum s ALA 79 N -3.17 -2.11 0.03 2.33 0.00 -1.23 -1.32 121.76 116.30 1pum s ALA 79 Ca -0.06 0.86 -0.04 0.00 0.00 0.00 0.00 51.96 52.72 1pum s ALA 79 Cb 0.11 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 1pum s ALA 79 CO 0.71 -0.92 0.05 1.52 0.00 0.00 0.00 175.76 177.12 1pum s TYR 80 N -2.56 0.24 -0.09 0.00 1.13 -0.67 0.10 117.35 115.50 1pum s TYR 80 Ca 0.12 -0.53 0.02 0.00 -1.41 0.00 0.00 57.07 55.27 1pum s TYR 80 Cb 0.02 -0.17 -0.02 0.00 -1.10 0.00 0.00 41.96 40.69 1pum s TYR 80 CO -0.04 -0.31 -0.16 0.50 -2.51 0.00 0.00 175.55 173.03 1pum s ARG 81 N -2.31 2.92 -0.11 -3.49 3.00 0.21 -0.81 118.95 118.36 1pum s ARG 81 Ca -0.08 -0.74 -0.03 0.00 -1.00 0.00 0.00 55.73 53.88 1pum s ARG 81 Cb -0.03 -2.45 0.05 0.00 0.00 0.00 0.00 34.95 32.52 1pum s ARG 81 CO -0.03 0.38 0.09 0.00 0.00 0.00 0.00 175.30 175.74 1pum s ALA 82 N -0.11 0.22 0.00 6.12 0.00 -0.38 -1.09 121.76 126.51 1pum s ALA 82 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1pum s ALA 82 Cb -0.14 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.13 1pum s ALA 82 CO 0.04 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.40 1pum n GLY 83 N 5.30 2.95 1.66 0.00 0.00 -1.26 -1.44 105.19 112.40 1pum n GLY 83 Ca -0.05 -0.22 0.01 0.00 0.00 0.00 0.00 46.02 45.76 1pum n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pum n ASP 84 N 5.61 4.70 -4.48 1.61 5.68 -1.26 -4.94 116.55 123.48 1pum n ASP 84 Ca 0.00 -3.15 -0.26 0.00 -0.50 0.00 0.00 54.79 50.89 1pum n ASP 84 Cb 0.00 -0.68 -0.10 0.00 -1.14 0.00 0.00 41.12 39.20 1pum n ASP 84 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1pum s GLN 85 N -2.92 1.71 -0.03 0.11 -1.52 -0.52 -0.67 119.66 115.81 1pum s GLN 85 Ca 0.51 -1.56 -0.06 0.00 -1.95 0.00 0.00 55.36 52.31 1pum s GLN 85 Cb 0.41 -1.89 0.01 0.00 -0.22 0.00 0.00 33.01 31.32 1pum s GLN 85 CO 0.12 0.38 0.14 -1.54 -0.25 0.00 0.00 175.29 174.14 1pum s SER 86 N -3.04 -0.07 -0.05 5.90 1.04 -0.21 -1.25 113.70 116.02 1pum s SER 86 Ca 0.25 0.09 0.04 0.00 0.48 0.00 0.00 55.95 56.80 1pum s SER 86 Cb -0.07 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1pum s SER 86 CO 0.13 -0.18 -0.15 -0.31 0.98 0.00 0.00 173.24 173.71 1pum s TYR 87 N -0.52 1.54 -0.10 5.02 1.51 0.01 -1.17 117.35 123.65 1pum s TYR 87 Ca -0.06 -0.46 0.01 0.00 -1.01 0.00 0.00 57.07 55.55 1pum s TYR 87 Cb -0.04 -1.06 -0.02 0.00 -0.11 0.00 0.00 41.96 40.73 1pum s TYR 87 CO 0.01 -0.18 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.08 1pum s PHE 88 N 0.19 2.78 0.51 2.71 0.40 0.04 -1.66 117.98 122.94 1pum s PHE 88 Ca -0.06 -0.43 -0.20 0.00 -0.60 0.00 0.00 56.93 55.64 1pum s PHE 88 Cb -0.12 -1.76 -0.07 0.00 0.51 0.00 0.00 43.02 41.58 1pum s PHE 88 CO 0.02 -0.04 1.07 -0.51 0.70 0.00 0.00 175.22 176.47 1pum s LEU 89 N -0.10 3.82 0.54 -0.37 1.02 -0.43 -0.19 118.68 122.97 1pum s LEU 89 Ca -0.02 2.03 -0.21 0.00 0.02 0.00 0.00 54.13 55.95 1pum s LEU 89 Cb -0.14 -4.56 -0.06 0.00 0.02 0.00 0.00 46.19 41.46 1pum s LEU 89 CO 0.04 -0.94 1.22 1.17 0.02 0.00 0.00 176.35 177.85 1pum n LYS 90 N -1.07 1.45 -2.34 1.70 4.81 -0.46 -2.41 118.16 119.83 1pum n LYS 90 Ca 0.10 0.54 -0.13 0.00 -0.87 0.00 0.00 58.31 57.94 1pum n LYS 90 Cb 0.52 -2.40 -0.00 0.00 0.02 0.00 0.00 35.03 33.16 1pum n LYS 90 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1pum n ASP 91 N -0.75 -4.20 -4.83 3.14 8.00 -1.26 -4.03 116.55 112.61 1pum n ASP 91 Ca 0.11 -0.04 -0.29 0.00 0.71 0.00 0.00 54.79 55.28 1pum n ASP 91 Cb 0.44 -3.33 0.11 0.00 -0.02 0.00 0.00 41.12 38.32 1pum n ASP 91 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pum s ALA 92 N -2.72 2.23 0.26 2.24 0.00 -1.01 -4.95 121.76 117.82 1pum s ALA 92 Ca 0.04 -0.50 -0.30 0.00 0.00 0.00 0.00 51.96 51.20 1pum s ALA 92 Cb -0.02 -3.02 -0.10 0.00 0.00 0.00 0.00 23.12 19.98 1pum s ALA 92 CO 0.04 -1.90 1.42 -2.14 0.00 0.00 0.00 175.76 173.18 1pum s PRO 93 N -5.36 4.28 0.19 0.00 0.02 -1.26 -4.90 135.00 127.97 1pum s PRO 93 Ca 0.62 2.29 -0.33 0.00 0.02 0.00 0.00 61.00 63.60 1pum s PRO 93 Cb -0.13 -3.10 -0.15 0.00 0.02 0.00 0.00 34.50 31.14 1pum s PRO 93 CO 0.52 -0.38 1.34 0.00 -0.33 0.00 0.00 177.00 178.14 1pum n ALA 7777N 2.10 0.30 -0.52 -1.55 0.00 -1.26 -0.72 120.51 118.86 1pum n ALA 7777Ca 0.06 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1pum n ALA 7777Cb 0.41 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1pum n ALA 7777CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pum n GLY 95 N 2.28 1.45 0.30 0.00 0.00 -1.26 -4.84 105.19 103.13 1pum n GLY 95 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.17 1pum n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pum h ALA 96 N 0.00 1.47 0.00 4.61 0.00 -1.28 -2.45 119.26 121.60 1pum h ALA 96 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1pum h ALA 96 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1pum h ALA 96 CO 0.00 0.41 -0.19 1.49 0.00 0.00 0.00 179.25 180.96 1pum h GLU 97 N 0.66 0.00 -0.13 0.00 4.81 -1.89 -0.37 114.58 117.66 1pum h GLU 97 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1pum h GLU 97 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1pum h GLU 97 CO -0.02 0.19 0.00 0.25 -0.73 0.00 0.00 179.01 178.70 1pum n THR 98 N -3.92 0.17 0.00 0.32 -2.24 -0.92 -4.09 114.28 103.59 1pum n THR 98 Ca -0.02 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1pum n THR 98 Cb 0.28 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1pum n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pum n GLN 99 N 0.03 0.30 -2.85 -0.78 1.13 -0.79 -4.99 117.38 109.42 1pum n GLN 99 Ca 0.15 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.80 1pum n GLN 99 Cb 0.25 -0.91 -0.05 0.00 0.11 0.00 0.00 30.24 29.64 1pum n GLN 99 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1pum s ASP 100 N -3.72 7.37 -1.02 1.08 1.01 -0.21 -4.43 116.67 116.75 1pum s ASP 100 Ca 0.00 1.64 -0.17 0.00 0.71 0.00 0.00 52.55 54.73 1pum s ASP 100 Cb 0.00 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.41 1pum s ASP 100 CO 0.00 -0.02 0.68 0.49 0.21 0.00 0.00 175.17 176.54 1pum n PHE 101 N 2.75 -1.88 -2.40 4.23 3.72 -1.26 -4.85 117.46 117.76 1pum n PHE 101 Ca -0.00 0.52 -0.39 0.00 -0.05 0.00 0.00 57.45 57.53 1pum n PHE 101 Cb 0.50 -3.05 -0.03 0.00 -0.94 0.00 0.00 39.48 35.95 1pum n PHE 101 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pum s ALA 102 N -3.28 3.26 0.00 4.37 0.00 -1.26 -3.39 121.76 121.46 1pum s ALA 102 Ca 0.28 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1pum s ALA 102 Cb -0.13 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1pum s ALA 102 CO 0.90 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.74 1pum n GLY 103 N 0.79 0.74 3.55 0.00 0.00 -1.26 -5.07 105.19 103.95 1pum n GLY 103 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1pum n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pum s THR 104 N -2.33 2.82 0.03 2.61 -4.23 -1.22 -4.99 115.64 108.32 1pum s THR 104 Ca 0.00 -2.18 -0.30 0.00 -1.18 0.00 0.00 61.69 58.02 1pum s THR 104 Cb 0.00 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 1pum s THR 104 CO 0.00 -0.36 1.10 -0.89 -0.54 0.00 0.00 174.62 173.93 1pum s THR 105 N -2.45 4.41 -0.15 3.99 2.01 0.15 -4.84 115.64 118.76 1pum s THR 105 Ca 0.31 1.73 -0.06 0.00 0.31 0.00 0.00 61.69 63.98 1pum s THR 105 Cb -0.05 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1pum s THR 105 CO 0.17 0.13 0.07 -0.13 -0.69 0.00 0.00 174.62 174.17 1pum s ARG 106 N 1.09 3.66 0.20 4.92 0.52 -1.26 -1.04 118.95 127.05 1pum s ARG 106 Ca 0.56 -0.31 0.05 0.00 -0.52 0.00 0.00 55.73 55.51 1pum s ARG 106 Cb -0.25 -3.12 -0.05 0.00 0.52 0.00 0.00 34.95 32.04 1pum s ARG 106 CO 0.28 0.47 -0.07 -1.12 0.02 0.00 0.00 175.30 174.89 1pum s SER 107 N -0.19 2.05 -0.19 0.23 0.01 -0.31 -4.98 113.70 110.32 1pum s SER 107 Ca 0.08 -1.11 -0.01 0.00 1.31 0.00 0.00 55.95 56.22 1pum s SER 107 Cb -0.12 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.07 1pum s SER 107 CO 0.01 -0.37 -0.12 -0.44 0.41 0.00 0.00 173.24 172.73 1pum s SER 108 N -3.27 3.78 0.54 2.44 0.01 -1.26 -0.78 113.70 115.16 1pum s SER 108 Ca 0.23 -0.48 -0.19 0.00 1.31 0.00 0.00 55.95 56.82 1pum s SER 108 Cb 0.03 -1.61 -0.06 0.00 0.21 0.00 0.00 66.02 64.59 1pum s SER 108 CO 0.06 0.02 1.12 -0.76 0.41 0.00 0.00 173.24 174.09 1pum s LEU 109 N 1.19 3.74 0.00 2.44 2.01 0.73 -4.91 118.68 123.89 1pum s LEU 109 Ca 0.02 2.14 0.12 0.00 0.01 0.00 0.00 54.13 56.42 1pum s LEU 109 Cb -0.14 -4.58 0.72 0.00 0.01 0.00 0.00 46.19 42.20 1pum s LEU 109 CO -0.05 -1.19 1.46 -0.81 1.01 0.00 0.00 176.35 176.77 1pum n PRO 110 N -1.32 1.01 -4.15 1.29 -0.04 -1.26 -3.41 135.00 127.12 1pum n PRO 110 Ca 0.11 -0.01 -0.16 0.00 -0.04 0.00 0.00 63.50 63.40 1pum n PRO 110 Cb 0.51 -1.19 -0.12 0.00 -0.04 0.00 0.00 33.50 32.67 1pum n PRO 110 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1pum s PHE 111 N -2.00 1.08 0.72 0.54 -0.71 -1.26 -4.88 117.98 111.47 1pum s PHE 111 Ca 0.18 -0.51 -0.00 0.00 -1.04 0.00 0.00 56.93 55.56 1pum s PHE 111 Cb 0.08 -0.61 0.13 0.00 -1.21 0.00 0.00 43.02 41.42 1pum s PHE 111 CO 0.14 0.02 1.00 0.54 -1.34 0.00 0.00 175.22 175.58 1pum s ASN 112 N -1.86 4.32 -0.01 1.98 2.20 -1.26 -1.36 114.94 118.95 1pum s ASN 112 Ca -0.02 -0.44 0.01 0.00 -0.94 0.00 0.00 52.86 51.48 1pum s ASN 112 Cb -0.09 0.09 0.06 0.00 -2.00 0.00 0.00 41.25 39.31 1pum s ASN 112 CO 0.02 -1.89 0.82 0.61 -2.94 0.00 0.00 177.10 173.72 1pum n GLY 113 N -2.83 0.44 3.80 0.45 0.00 -1.26 -4.24 105.19 101.56 1pum n GLY 113 Ca 0.16 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1pum n GLY 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pum s SER 114 N -0.54 7.14 0.15 1.61 1.04 -1.26 -4.90 113.70 116.94 1pum s SER 114 Ca 0.04 1.73 -0.18 0.00 0.48 0.00 0.00 55.95 58.02 1pum s SER 114 Cb 0.03 -2.54 0.04 0.00 0.10 0.00 0.00 66.02 63.64 1pum s SER 114 CO 0.02 -0.18 1.72 1.88 0.98 0.00 0.00 173.24 177.65 1pum h TYR 115 N 2.65 0.02 -0.47 5.02 0.05 -1.98 0.16 116.97 122.42 1pum h TYR 115 Ca -0.48 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.32 1pum h TYR 115 Cb 1.19 0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.94 1pum h TYR 115 CO 0.62 -0.03 0.27 -1.00 -1.05 0.00 0.00 178.16 176.97 1pum h PRO 116 N 0.11 0.64 0.05 4.88 0.13 -1.97 0.69 132.00 136.54 1pum h PRO 116 Ca 0.14 -0.06 -0.23 0.00 -0.87 0.00 0.00 66.00 64.98 1pum h PRO 116 Cb 0.18 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.17 1pum h PRO 116 CO -0.22 0.47 -1.04 0.22 -0.23 0.00 0.00 178.00 177.20 1pum h ASP 117 N 0.65 0.34 -0.22 1.44 3.58 -1.75 -2.02 116.42 118.44 1pum h ASP 117 Ca 0.17 -0.31 -0.07 0.00 0.42 0.00 0.00 57.03 57.24 1pum h ASP 117 Cb 0.00 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 1pum h ASP 117 CO -0.03 1.17 -0.13 0.25 -2.88 0.00 0.00 179.24 177.62 1pum h LEU 118 N 0.11 0.50 -1.79 2.28 5.85 0.02 -2.63 115.31 119.64 1pum h LEU 118 Ca -0.08 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 1pum h LEU 118 Cb 1.72 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.61 1pum h LEU 118 CO 0.16 0.81 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.68 1pum h GLU 119 N 0.18 0.00 -0.46 1.25 5.08 0.36 -0.01 114.58 120.98 1pum h GLU 119 Ca 0.05 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1pum h GLU 119 Cb 0.64 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1pum h GLU 119 CO 0.04 0.07 0.31 -0.09 -1.00 0.00 0.00 179.01 178.33 1pum h ARG 120 N 0.00 0.57 0.00 2.33 2.43 -0.97 0.57 114.38 119.31 1pum h ARG 120 Ca -0.00 -0.03 -0.31 0.00 -0.81 0.00 0.00 59.98 58.82 1pum h ARG 120 Cb 0.41 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.78 1pum h ARG 120 CO 0.01 0.38 -2.20 0.66 -1.51 0.00 0.00 179.97 177.31 1pum n TYR 121 N -4.47 0.00 -0.02 2.20 4.02 -0.67 -4.61 117.16 113.62 1pum n TYR 121 Ca 0.04 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.91 1pum n TYR 121 Cb 0.09 -0.86 -0.12 0.00 -0.02 0.00 0.00 39.34 38.43 1pum n TYR 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1pum n ALA 122 N -2.64 1.89 0.00 -0.72 0.00 -0.11 -4.35 120.51 114.59 1pum n ALA 122 Ca -0.28 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.38 1pum n ALA 122 Cb 1.05 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1pum n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pum n GLY 123 N 1.49 1.06 3.72 0.00 0.00 0.20 -4.89 105.19 106.77 1pum n GLY 123 Ca -0.16 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.40 1pum n GLY 123 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pum n HIS 124 N 1.36 2.67 -0.32 1.61 8.25 -1.26 -4.47 115.22 123.07 1pum n HIS 124 Ca 0.00 0.25 0.02 0.00 -0.26 0.00 0.00 57.72 57.73 1pum n HIS 124 Cb 0.00 -2.58 0.16 0.00 1.12 0.00 0.00 29.99 28.69 1pum n HIS 124 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pum h ARG 125 N 5.11 0.93 0.00 -0.41 3.08 -1.94 -2.17 114.38 118.98 1pum h ARG 125 Ca -0.46 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1pum h ARG 125 Cb 1.23 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1pum h ARG 125 CO 0.82 0.61 0.00 -0.40 -1.07 0.00 0.00 179.97 179.93 1pum n ASP 126 N -4.64 0.00 0.00 7.04 3.85 -1.26 -0.94 116.55 120.61 1pum n ASP 126 Ca 0.14 -0.37 0.00 0.00 -0.71 0.00 0.00 54.79 53.84 1pum n ASP 126 Cb 0.22 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.99 1pum n ASP 126 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1pum n GLN 127 N -0.84 1.74 -3.69 0.11 6.02 -0.82 -4.81 117.38 115.08 1pum n GLN 127 Ca 0.05 -1.10 -0.39 0.00 -0.01 0.00 0.00 57.00 55.55 1pum n GLN 127 Cb 0.02 -0.87 -0.12 0.00 1.02 0.00 0.00 30.24 30.29 1pum n GLN 127 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1pum s ILE 128 N -0.62 4.00 0.56 5.09 1.01 -0.11 -5.05 121.20 126.08 1pum s ILE 128 Ca 0.00 -1.17 -0.21 0.00 0.00 0.00 0.00 60.65 59.27 1pum s ILE 128 Cb 0.00 -3.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 1pum s ILE 128 CO 0.00 -0.28 1.31 -2.65 0.00 0.00 0.00 174.94 173.33 1pum n PRO 129 N 4.86 1.55 -4.43 2.79 -0.02 -1.26 -4.71 135.00 133.78 1pum n PRO 129 Ca -0.11 0.58 -0.23 0.00 -2.02 0.00 0.00 63.50 61.72 1pum n PRO 129 Cb 0.44 -2.53 -0.10 0.00 -0.02 0.00 0.00 33.50 31.29 1pum n PRO 129 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1pum s LEU 130 N -3.39 2.57 0.00 2.45 1.02 0.56 -4.87 118.68 117.02 1pum s LEU 130 Ca 0.73 -1.02 0.00 0.00 0.02 0.00 0.00 54.13 53.87 1pum s LEU 130 Cb -0.42 -0.98 0.00 0.00 0.02 0.00 0.00 46.19 44.81 1pum s LEU 130 CO 0.48 -0.02 0.00 0.61 0.02 0.00 0.00 176.35 177.44 1pum n GLY 131 N -0.49 1.20 0.31 -3.19 0.00 -1.26 -0.86 105.19 100.90 1pum n GLY 131 Ca -0.06 -1.83 -0.04 0.00 0.00 0.00 0.00 46.02 44.09 1pum n GLY 131 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1pum h ILE 132 N 4.24 1.24 -0.37 -0.61 6.09 -1.87 -1.17 117.51 125.06 1pum h ILE 132 Ca 0.00 -0.87 0.02 0.00 -1.37 0.00 0.00 64.86 62.63 1pum h ILE 132 Cb 0.00 0.67 -0.03 0.00 0.47 0.00 0.00 36.82 37.93 1pum h ILE 132 CO 0.00 0.33 0.21 0.44 -3.07 0.00 0.00 178.15 176.06 1pum h ASP 133 N 0.85 0.34 -0.04 2.19 3.45 -1.92 0.18 116.42 121.48 1pum h ASP 133 Ca 0.18 0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.57 1pum h ASP 133 Cb 0.33 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 1pum h ASP 133 CO 0.00 0.25 -0.18 1.56 -1.57 0.00 0.00 179.24 179.30 1pum h GLN 134 N 0.44 0.39 -0.13 3.56 7.50 -1.80 0.13 115.11 125.19 1pum h GLN 134 Ca 0.15 -0.12 -0.02 0.00 0.50 0.00 0.00 58.65 59.15 1pum h GLN 134 Cb 0.01 -0.04 -0.00 0.00 0.05 0.00 0.00 27.48 27.50 1pum h GLN 134 CO -0.07 0.57 -0.01 1.25 -1.50 0.00 0.00 178.83 179.06 1pum h LEU 135 N 0.36 0.24 -0.13 1.46 5.85 -0.38 -0.02 115.31 122.70 1pum h LEU 135 Ca 0.06 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.48 1pum h LEU 135 Cb 0.53 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1pum h LEU 135 CO 0.03 0.51 -0.04 0.40 -0.34 0.00 0.00 178.44 179.01 1pum h ILE 136 N -0.04 0.86 0.00 4.05 2.04 -0.20 -2.38 117.51 121.85 1pum h ILE 136 Ca 0.04 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 1pum h ILE 136 Cb 0.40 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1pum h ILE 136 CO 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 178.15 177.90 1pum h ALA 137 N 1.12 1.34 -0.30 1.87 0.00 -0.65 -2.27 119.26 120.38 1pum h ALA 137 Ca 0.06 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 1pum h ALA 137 Cb 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1pum h ALA 137 CO -0.14 0.33 -0.30 0.77 0.00 0.00 0.00 179.25 179.91 1pum h SER 138 N 0.00 0.64 -0.08 0.00 0.02 -0.51 0.19 113.55 113.81 1pum h SER 138 Ca -0.00 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 1pum h SER 138 Cb 0.54 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 1pum h SER 138 CO 0.03 0.90 0.01 0.58 -1.14 0.00 0.00 176.83 177.22 1pum h VAL 139 N 0.53 1.22 -0.40 2.27 2.07 -0.98 -1.53 116.25 119.43 1pum h VAL 139 Ca 0.06 -0.68 -0.13 0.00 0.82 0.00 0.00 66.70 66.78 1pum h VAL 139 Cb 0.78 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1pum h VAL 139 CO 0.06 0.19 -0.26 0.71 0.02 0.00 0.00 177.57 178.30 1pum h THR 140 N -0.10 1.28 -0.50 2.57 1.35 -1.34 0.24 112.91 116.41 1pum h THR 140 Ca 0.02 -1.42 0.03 0.00 -0.55 0.00 0.00 66.41 64.50 1pum h THR 140 Cb 0.29 1.32 -0.03 0.00 -1.73 0.00 0.00 68.15 68.00 1pum h THR 140 CO 0.00 0.47 0.33 0.00 -0.25 0.00 0.00 175.52 176.08 1pum h ALA 141 N 0.80 1.77 0.06 6.62 0.00 -0.57 -2.62 119.26 125.33 1pum h ALA 141 Ca 0.08 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.68 1pum h ALA 141 Cb 0.83 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1pum h ALA 141 CO 0.07 0.18 -1.53 -0.07 0.00 0.00 0.00 179.25 177.90 1pum h LEU 142 N 0.56 0.21 -0.99 0.00 4.07 -1.03 -3.38 115.31 114.75 1pum h LEU 142 Ca 0.20 -0.32 -0.02 0.00 0.08 0.00 0.00 57.88 57.82 1pum h LEU 142 Cb 0.10 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 41.74 1pum h LEU 142 CO -0.05 1.27 0.42 -0.09 -1.08 0.00 0.00 178.44 178.91 1pum h ARG 143 N 0.04 1.14 -5.51 1.13 9.65 -0.14 -3.43 114.38 117.26 1pum h ARG 143 Ca -0.23 -0.14 -0.64 0.00 -1.10 0.00 0.00 59.98 57.87 1pum h ARG 143 Cb 1.97 -0.22 -0.14 0.00 -1.39 0.00 0.00 29.97 30.19 1pum h ARG 143 CO 0.13 0.85 -0.57 -0.06 2.80 0.00 0.00 179.97 183.12 1pum s PHE 144 N -5.72 3.28 0.79 2.20 0.40 -1.16 -4.59 117.98 113.19 1pum s PHE 144 Ca -0.12 0.17 -0.13 0.00 -0.60 0.00 0.00 56.93 56.25 1pum s PHE 144 Cb 0.17 -1.98 0.08 0.00 0.51 0.00 0.00 43.02 41.79 1pum s PHE 144 CO 0.82 0.33 1.19 -2.14 0.70 0.00 0.00 175.22 176.11 1pum s PRO 145 N -0.18 1.75 0.00 0.24 0.02 -1.26 -4.20 135.00 131.38 1pum s PRO 145 Ca 0.07 1.69 0.00 0.00 0.02 0.00 0.00 61.00 62.79 1pum s PRO 145 Cb -0.12 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.60 1pum s PRO 145 CO 0.01 -2.11 0.00 0.41 -0.33 0.00 0.00 177.00 174.98 1pum n GLY 146 N 0.32 1.34 3.70 0.52 0.00 -1.26 -5.11 105.19 104.70 1pum n GLY 146 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1pum n GLY 146 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pum s GLY 147 N -1.56 1.66 0.71 -0.02 0.00 -1.26 -5.02 107.32 101.83 1pum s GLY 147 Ca 0.00 0.31 -0.11 0.00 0.00 0.00 0.00 44.72 44.92 1pum s GLY 147 CO 0.00 0.74 1.08 -1.35 0.00 0.00 0.00 173.10 173.57 1pum s SER 148 N -3.03 5.33 0.33 1.64 1.04 -1.26 -4.93 113.70 112.82 1pum s SER 148 Ca 0.64 1.34 0.11 0.00 0.48 0.00 0.00 55.95 58.52 1pum s SER 148 Cb -0.20 -2.19 0.56 0.00 0.10 0.00 0.00 66.02 64.29 1pum s SER 148 CO 0.58 -1.44 1.74 0.71 0.98 0.00 0.00 173.24 175.81 1pum h THR 149 N -0.72 1.33 -0.97 2.02 1.35 -1.96 -1.86 112.91 112.11 1pum h THR 149 Ca -0.45 -1.58 0.06 0.00 -0.55 0.00 0.00 66.41 63.89 1pum h THR 149 Cb 1.24 1.83 -0.06 0.00 -1.73 0.00 0.00 68.15 69.42 1pum h THR 149 CO 0.61 0.45 0.62 -0.09 -0.25 0.00 0.00 175.52 176.87 1pum h ARG 150 N 0.03 1.12 -0.04 4.72 2.43 -1.92 0.21 114.38 120.92 1pum h ARG 150 Ca -0.00 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 58.97 1pum h ARG 150 Cb 0.82 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1pum h ARG 150 CO 0.06 0.74 -0.57 1.15 -1.51 0.00 0.00 179.97 179.84 1pum h THR 151 N 1.15 1.39 -0.22 0.20 2.02 -1.67 0.04 112.91 115.83 1pum h THR 151 Ca 0.41 -1.93 -0.09 0.00 0.77 0.00 0.00 66.41 65.57 1pum h THR 151 Cb 0.14 2.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1pum h THR 151 CO -0.16 0.56 -0.22 1.56 0.37 0.00 0.00 175.52 177.63 1pum h GLN 152 N 0.11 0.53 -0.64 6.66 4.20 -0.61 -1.33 115.11 124.02 1pum h GLN 152 Ca -0.00 -0.28 -0.04 0.00 0.06 0.00 0.00 58.65 58.39 1pum h GLN 152 Cb 1.04 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.80 1pum h GLN 152 CO 0.08 0.86 0.24 0.00 -0.67 0.00 0.00 178.83 179.35 1pum h ALA 153 N 0.66 0.84 -0.49 3.87 0.00 -0.48 -0.86 119.26 122.79 1pum h ALA 153 Ca 0.03 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1pum h ALA 153 Cb 0.77 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1pum h ALA 153 CO 0.05 0.47 0.08 -0.09 0.00 0.00 0.00 179.25 179.76 1pum h ARG 154 N 0.91 0.81 -0.58 0.00 2.43 -0.95 -0.49 114.38 116.50 1pum h ARG 154 Ca 0.21 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1pum h ARG 154 Cb 0.23 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 1pum h ARG 154 CO -0.01 0.80 0.21 0.77 -1.51 0.00 0.00 179.97 180.23 1pum h SER 155 N 0.68 0.82 -0.42 -3.80 0.02 -0.97 -1.76 113.55 108.12 1pum h SER 155 Ca 0.15 -0.18 -0.10 0.00 -0.84 0.00 0.00 61.79 60.81 1pum h SER 155 Cb 0.39 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1pum h SER 155 CO 0.01 0.78 -0.11 0.40 -1.14 0.00 0.00 176.83 176.77 1pum h ILE 156 N 0.81 1.26 -0.87 3.27 2.04 -1.00 -1.13 117.51 121.89 1pum h ILE 156 Ca 0.19 -1.21 0.07 0.00 1.00 0.00 0.00 64.86 64.91 1pum h ILE 156 Cb 0.23 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 1pum h ILE 156 CO -0.01 0.42 0.57 0.25 0.00 0.00 0.00 178.15 179.38 1pum h LEU 157 N 0.79 0.85 -0.24 1.44 5.85 -0.70 0.28 115.31 123.59 1pum h LEU 157 Ca 0.13 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 1pum h LEU 157 Cb 0.62 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 1pum h LEU 157 CO 0.04 0.54 -0.22 0.40 -0.34 0.00 0.00 178.44 178.87 1pum h ILE 158 N 0.96 1.32 -0.54 4.05 2.04 -0.50 -2.49 117.51 122.35 1pum h ILE 158 Ca 0.38 -1.37 -0.04 0.00 1.00 0.00 0.00 64.86 64.83 1pum h ILE 158 Cb 0.24 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 1pum h ILE 158 CO -0.14 0.43 0.17 -0.07 0.00 0.00 0.00 178.15 178.54 1pum h LEU 159 N 0.27 0.78 -0.02 1.44 3.38 -0.19 -1.92 115.31 119.06 1pum h LEU 159 Ca 0.04 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1pum h LEU 159 Cb 0.77 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1pum h LEU 159 CO 0.05 0.78 -0.04 0.40 0.09 0.00 0.00 178.44 179.72 1pum h ILE 160 N 0.74 0.88 -0.14 1.22 2.04 -0.48 0.69 117.51 122.46 1pum h ILE 160 Ca 0.17 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.91 1pum h ILE 160 Cb 0.27 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1pum h ILE 160 CO -0.01 0.00 -0.46 1.56 0.00 0.00 0.00 178.15 179.25 1pum h GLN 161 N -0.07 0.36 0.00 2.37 4.20 -1.39 0.05 115.11 120.63 1pum h GLN 161 Ca 0.02 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.54 1pum h GLN 161 Cb 0.10 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1pum h GLN 161 CO -0.06 0.75 -0.40 -1.33 -0.67 0.00 0.00 178.83 177.12 1pum n MET 162 N -3.99 0.00 0.00 1.46 2.81 -0.73 -3.33 117.12 113.34 1pum n MET 162 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1pum n MET 162 Cb 0.53 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 1pum n MET 162 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1pum n ILE 163 N -1.50 0.00 -0.05 2.02 5.41 0.22 -4.54 119.36 120.92 1pum n ILE 163 Ca 0.06 0.04 -0.08 0.00 1.00 0.00 0.00 62.75 63.77 1pum n ILE 163 Cb 0.34 -0.88 -0.02 0.00 -0.71 0.00 0.00 39.64 38.36 1pum n ILE 163 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1pum h SER 164 N 0.00 -0.00 -0.03 4.38 0.02 -1.25 -1.22 113.55 115.44 1pum h SER 164 Ca 0.00 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 1pum h SER 164 Cb 0.00 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1pum h SER 164 CO 0.00 0.03 -0.16 -0.33 -1.14 0.00 0.00 176.83 175.23 1pum h GLU 165 N 0.12 0.36 -0.04 3.45 4.39 -1.17 -1.66 114.58 120.04 1pum h GLU 165 Ca 0.10 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 1pum h GLU 165 Cb 0.11 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1pum h GLU 165 CO -0.14 0.52 -0.55 0.00 -1.16 0.00 0.00 179.01 177.67 1pum h ALA 166 N 1.50 0.99 -0.26 3.43 0.00 -1.48 0.13 119.26 123.57 1pum h ALA 166 Ca 0.06 -0.51 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 1pum h ALA 166 Cb 0.48 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1pum h ALA 166 CO 0.03 0.70 -0.36 0.00 0.00 0.00 0.00 179.25 179.61 1pum h ALA 167 N 1.33 0.88 0.15 0.00 0.00 -0.36 -3.24 119.26 118.03 1pum h ALA 167 Ca -0.00 -0.42 -0.29 0.00 0.00 0.00 0.00 54.91 54.20 1pum h ALA 167 Cb 1.01 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.70 1pum h ALA 167 CO 0.08 0.63 -1.29 0.00 0.00 0.00 0.00 179.25 178.67 1pum h ARG 168 N 0.48 0.32 -4.48 0.00 3.08 -1.06 -3.39 114.38 109.33 1pum h ARG 168 Ca 0.05 -0.55 -0.56 0.00 0.07 0.00 0.00 59.98 58.99 1pum h ARG 168 Cb 0.86 0.20 -0.36 0.00 0.08 0.00 0.00 29.97 30.75 1pum h ARG 168 CO 0.07 1.26 -0.82 -0.06 -1.07 0.00 0.00 179.97 179.35 1pum s PHE 169 N -2.65 1.77 0.38 3.04 0.08 0.01 -0.39 117.98 120.22 1pum s PHE 169 Ca -0.05 -0.90 0.04 0.00 0.12 0.00 0.00 56.93 56.15 1pum s PHE 169 Cb 0.07 -1.36 0.73 0.00 -0.57 0.00 0.00 43.02 41.89 1pum s PHE 169 CO 0.90 -0.53 2.03 -0.91 -0.10 0.00 0.00 175.22 176.60 1pum h ASN 170 N 7.90 0.61 -0.43 1.36 -0.26 -1.21 -0.57 115.58 122.97 1pum h ASN 170 Ca -0.33 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.38 1pum h ASN 170 Cb 1.14 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 38.23 1pum h ASN 170 CO 0.47 0.45 0.24 -0.65 -1.06 0.00 0.00 177.43 176.87 1pum h PRO 171 N 0.72 0.64 0.07 0.81 0.11 -1.90 0.12 132.00 132.58 1pum h PRO 171 Ca 0.19 -0.07 -0.25 0.00 0.11 0.00 0.00 66.00 65.99 1pum h PRO 171 Cb -0.07 -0.13 0.02 0.00 0.11 0.00 0.00 31.00 30.93 1pum h PRO 171 CO -0.04 0.49 -1.03 0.82 -0.21 0.00 0.00 178.00 178.03 1pum h ILE 172 N 0.65 1.34 -0.27 4.15 2.04 -1.63 -1.70 117.51 122.08 1pum h ILE 172 Ca 0.16 -2.34 0.02 0.00 1.00 0.00 0.00 64.86 63.70 1pum h ILE 172 Cb 0.04 2.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.77 1pum h ILE 172 CO -0.03 0.70 0.11 0.25 0.00 0.00 0.00 178.15 179.19 1pum h LEU 173 N 0.15 0.14 -0.47 1.44 5.85 -0.75 0.47 115.31 122.14 1pum h LEU 173 Ca -0.15 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 1pum h LEU 173 Cb 1.72 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.73 1pum h LEU 173 CO 0.20 0.11 0.07 -0.50 -0.34 0.00 0.00 178.44 177.98 1pum h TRP 174 N 0.24 0.83 -0.10 1.25 4.06 -0.82 -0.24 115.95 121.18 1pum h TRP 174 Ca 0.11 -0.12 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1pum h TRP 174 Cb 0.06 -0.23 -0.00 0.00 -1.00 0.00 0.00 29.16 27.99 1pum h TRP 174 CO -0.12 0.78 0.06 -0.09 -3.56 0.00 0.00 178.44 175.51 1pum h ARG 175 N 0.65 0.13 -0.60 0.49 2.43 -0.98 0.12 114.38 116.61 1pum h ARG 175 Ca 0.14 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1pum h ARG 175 Cb 0.40 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1pum h ARG 175 CO 0.01 0.11 0.36 0.00 -1.51 0.00 0.00 179.97 178.94 1pum h ALA 176 N 1.01 0.77 -0.77 2.80 0.00 -0.79 -1.79 119.26 120.49 1pum h ALA 176 Ca 0.03 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1pum h ALA 176 Cb 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1pum h ALA 176 CO -0.01 0.25 0.51 -0.09 0.00 0.00 0.00 179.25 179.91 1pum h ARG 177 N 0.82 1.00 0.51 0.00 2.43 -0.69 -0.40 114.38 118.04 1pum h ARG 177 Ca 0.22 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1pum h ARG 177 Cb -0.01 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.29 1pum h ARG 177 CO -0.04 0.66 -0.48 0.37 -1.51 0.00 0.00 179.97 178.97 1pum h GLN 178 N 1.03 -0.95 -0.35 0.20 4.15 -0.08 -1.46 115.11 117.65 1pum h GLN 178 Ca 0.29 0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.77 1pum h GLN 178 Cb -0.09 0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 1pum h GLN 178 CO -0.07 -0.63 0.20 1.88 -1.93 0.00 0.00 178.83 178.28 1pum h TYR 179 N -0.98 0.45 -0.50 3.99 0.05 -1.21 -1.23 116.97 117.54 1pum h TYR 179 Ca -0.07 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.67 1pum h TYR 179 Cb 0.84 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.41 1pum h TYR 179 CO -0.23 0.31 0.14 0.82 -1.05 0.00 0.00 178.16 178.16 1pum h ILE 180 N 0.48 1.23 -0.26 -2.88 2.04 -0.87 0.21 117.51 117.46 1pum h ILE 180 Ca 0.13 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.20 1pum h ILE 180 Cb -0.00 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1pum h ILE 180 CO -0.02 0.29 0.14 0.78 0.00 0.00 0.00 178.15 179.34 1pum h ASN 181 N 0.68 0.22 0.54 1.72 2.35 -0.15 -2.25 115.58 118.69 1pum h ASN 181 Ca 0.16 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1pum h ASN 181 Cb 0.30 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1pum h ASN 181 CO -0.00 0.16 -0.04 -1.54 -1.65 0.00 0.00 177.43 174.36 1pum n SER 182 N -4.96 0.12 0.00 5.81 3.41 -0.79 -4.90 113.62 112.31 1pum n SER 182 Ca -0.02 -0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 1pum n SER 182 Cb 0.06 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1pum n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pum n GLY 183 N 1.30 0.33 3.87 5.00 0.00 0.69 -4.99 105.19 111.40 1pum n GLY 183 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1pum n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pum s ALA 184 N -1.81 3.34 0.11 4.61 0.00 -0.87 -4.88 121.76 122.26 1pum s ALA 184 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.78 1pum s ALA 184 Cb 0.00 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 1pum s ALA 184 CO 0.00 0.01 0.27 -1.12 0.00 0.00 0.00 175.76 174.93 1pum s SER 185 N -3.08 6.38 0.14 0.00 0.01 -1.26 -4.59 113.70 111.30 1pum s SER 185 Ca 0.52 0.33 -0.04 0.00 1.31 0.00 0.00 55.95 58.06 1pum s SER 185 Cb -0.10 -1.98 -0.03 0.00 0.21 0.00 0.00 66.02 64.12 1pum s SER 185 CO 0.30 0.10 0.14 0.72 0.41 0.00 0.00 173.24 174.92 1pum s PHE 186 N -1.62 0.68 -0.06 2.43 -0.71 -0.04 -4.95 117.98 113.71 1pum s PHE 186 Ca 0.36 -1.05 0.04 0.00 -1.04 0.00 0.00 56.93 55.24 1pum s PHE 186 Cb -0.12 -0.32 -0.02 0.00 -1.21 0.00 0.00 43.02 41.35 1pum s PHE 186 CO 0.28 -0.60 -0.17 -0.51 -1.34 0.00 0.00 175.22 172.88 1pum s LEU 187 N -3.02 2.58 0.32 -1.99 1.02 -1.26 -0.32 118.68 116.01 1pum s LEU 187 Ca 0.21 -0.28 -0.29 0.00 0.02 0.00 0.00 54.13 53.79 1pum s LEU 187 Cb 0.06 -1.52 -0.10 0.00 0.02 0.00 0.00 46.19 44.64 1pum s LEU 187 CO 0.01 0.30 1.39 -2.16 0.02 0.00 0.00 176.35 175.91 1pum s PRO 188 N -0.47 4.27 0.62 1.29 0.04 -1.26 -5.00 135.00 134.49 1pum s PRO 188 Ca 0.06 2.33 0.01 0.00 0.04 0.00 0.00 61.00 63.43 1pum s PRO 188 Cb -0.12 -3.06 0.12 0.00 0.04 0.00 0.00 34.50 31.49 1pum s PRO 188 CO 0.02 -0.34 0.84 -0.40 0.04 0.00 0.00 177.00 177.16 1pum n ASP 189 N 1.17 1.22 -0.22 6.66 5.75 -1.26 -4.82 116.55 125.05 1pum n ASP 189 Ca 0.02 -2.01 -0.01 0.00 -0.01 0.00 0.00 54.79 52.78 1pum n ASP 189 Cb 0.41 -0.54 0.10 0.00 -1.03 0.00 0.00 41.12 40.06 1pum n ASP 189 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1pum h VAL 190 N -0.52 0.89 0.15 2.12 2.07 -1.92 -0.78 116.25 118.26 1pum h VAL 190 Ca -0.28 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.05 1pum h VAL 190 Cb 1.05 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1pum h VAL 190 CO 0.31 0.10 -0.18 0.22 0.02 0.00 0.00 177.57 178.04 1pum h TYR 191 N 0.57 -0.47 -0.63 1.57 -0.00 -1.89 0.49 116.97 116.61 1pum h TYR 191 Ca 0.30 0.00 0.06 0.00 -0.00 0.00 0.00 58.73 59.09 1pum h TYR 191 Cb 0.27 0.19 -0.05 0.00 -0.00 0.00 0.00 36.73 37.14 1pum h TYR 191 CO -0.11 -0.27 0.34 1.98 -0.00 0.00 0.00 178.16 180.10 1pum h MET 192 N -0.37 0.61 -0.81 1.82 4.05 -1.84 0.18 114.93 118.57 1pum h MET 192 Ca 0.01 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1pum h MET 192 Cb 0.37 -0.14 -0.04 0.00 -0.80 0.00 0.00 31.60 30.99 1pum h MET 192 CO -0.06 0.40 0.49 -0.07 0.23 0.00 0.00 176.91 177.90 1pum h LEU 193 N 0.63 0.97 -0.56 3.39 3.38 -0.75 -2.00 115.31 120.36 1pum h LEU 193 Ca 0.28 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 58.03 1pum h LEU 193 Cb 0.18 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1pum h LEU 193 CO -0.18 0.75 -0.51 -0.33 0.09 0.00 0.00 178.44 178.26 1pum h GLU 194 N 1.11 0.55 0.31 1.13 5.08 0.12 -2.46 114.58 120.42 1pum h GLU 194 Ca 0.29 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1pum h GLU 194 Cb -0.04 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1pum h GLU 194 CO -0.05 0.93 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.58 1pum h LEU 195 N 0.43 -0.63 -0.60 1.33 3.38 -0.34 -0.71 115.31 118.16 1pum h LEU 195 Ca 0.02 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.16 1pum h LEU 195 Cb 1.04 0.20 -0.11 0.00 0.09 0.00 0.00 40.66 41.89 1pum h LEU 195 CO 0.10 -0.37 -0.13 -0.33 0.09 0.00 0.00 178.44 177.80 1pum h GLU 196 N -0.56 0.01 -0.00 1.13 5.08 -1.27 -0.02 114.58 118.95 1pum h GLU 196 Ca -0.02 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1pum h GLU 196 Cb 0.49 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1pum h GLU 196 CO -0.01 0.01 -0.05 0.25 -1.00 0.00 0.00 179.01 178.20 1pum n THR 197 N -5.40 0.00 0.97 1.13 -2.24 -0.93 -3.43 114.28 104.38 1pum n THR 197 Ca 0.07 -0.01 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 1pum n THR 197 Cb 0.32 -0.37 0.08 0.00 -2.10 0.00 0.00 70.33 68.26 1pum n THR 197 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1pum n SER 198 N -1.30 2.81 -0.27 3.42 3.41 -0.07 -4.56 113.62 117.06 1pum n SER 198 Ca 0.12 -1.90 0.06 0.00 -0.26 0.00 0.00 58.87 56.89 1pum n SER 198 Cb 0.28 0.07 0.21 0.00 -0.26 0.00 0.00 64.21 64.51 1pum n SER 198 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 1pum h TRP 199 N 4.26 0.60 -0.01 7.33 7.01 -1.45 0.49 115.95 134.19 1pum h TRP 199 Ca 0.00 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 1pum h TRP 199 Cb 0.94 -0.15 -0.00 0.00 -2.10 0.00 0.00 29.16 27.85 1pum h TRP 199 CO 0.00 0.09 0.00 0.78 -2.79 0.00 0.00 178.44 176.52 1pum h GLY 200 N 0.49 0.01 0.98 2.65 0.00 -1.86 -1.53 103.07 103.83 1pum h GLY 200 Ca 0.44 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.77 1pum h GLY 200 CO -0.40 0.01 0.21 1.46 0.00 0.00 0.00 176.54 177.82 1pum h GLN 201 N -0.12 0.42 -0.74 4.80 4.20 -1.67 -0.45 115.11 121.55 1pum h GLN 201 Ca 0.00 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.72 1pum h GLN 201 Cb 0.13 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.77 1pum h GLN 201 CO -0.00 0.28 0.46 1.96 -0.67 0.00 0.00 178.83 180.86 1pum h GLN 202 N 0.43 0.86 -0.74 1.46 4.20 -0.88 0.61 115.11 121.06 1pum h GLN 202 Ca 0.12 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1pum h GLN 202 Cb -0.04 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.51 1pum h GLN 202 CO -0.03 0.57 0.34 0.77 -0.67 0.00 0.00 178.83 179.80 1pum h SER 203 N 0.89 0.98 -0.26 1.46 0.02 -0.84 -1.66 113.55 114.14 1pum h SER 203 Ca 0.30 -0.14 -0.17 0.00 -0.84 0.00 0.00 61.79 60.94 1pum h SER 203 Cb 0.05 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.34 1pum h SER 203 CO -0.12 0.85 -0.50 0.74 -1.14 0.00 0.00 176.83 176.66 1pum h THR 204 N 1.04 1.29 -0.59 -2.27 2.02 0.05 -2.52 112.91 111.92 1pum h THR 204 Ca 0.25 -1.70 -0.08 0.00 0.77 0.00 0.00 66.41 65.66 1pum h THR 204 Cb 0.14 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 1pum h THR 204 CO -0.03 0.55 0.07 1.56 0.37 0.00 0.00 175.52 178.04 1pum h GLN 205 N 0.55 0.99 0.07 6.66 1.08 0.33 -1.53 115.11 123.26 1pum h GLN 205 Ca 0.01 -0.28 -0.00 0.00 -1.45 0.00 0.00 58.65 56.93 1pum h GLN 205 Cb 1.11 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.43 1pum h GLN 205 CO 0.11 0.95 -0.03 0.28 -0.95 0.00 0.00 178.83 179.19 1pum h VAL 206 N 0.89 0.99 0.00 -0.54 2.07 -1.32 0.68 116.25 119.02 1pum h VAL 206 Ca 0.18 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1pum h VAL 206 Cb 0.45 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1pum h VAL 206 CO 0.02 0.05 -0.01 1.56 0.02 0.00 0.00 177.57 179.20 1pum h GLN 207 N -0.18 0.00 -0.02 1.57 4.20 -1.40 -2.67 115.11 116.62 1pum h GLN 207 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1pum h GLN 207 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1pum h GLN 207 CO 0.01 0.01 -0.44 0.72 -0.67 0.00 0.00 178.83 178.47 1pum n HIS 208 N -3.11 0.00 -1.79 2.96 8.25 -0.58 -4.97 115.22 115.97 1pum n HIS 208 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.09 1pum n HIS 208 Cb 0.31 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.47 1pum n HIS 208 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1pum s SER 209 N -2.40 5.07 -0.28 0.41 1.04 0.21 -4.76 113.70 112.99 1pum s SER 209 Ca 0.18 2.70 -0.03 0.00 0.48 0.00 0.00 55.95 59.28 1pum s SER 209 Cb 0.18 -2.63 0.03 0.00 0.10 0.00 0.00 66.02 63.70 1pum s SER 209 CO 0.54 -1.70 0.00 0.28 0.98 0.00 0.00 173.24 173.35 1pum s THR 210 N -1.35 3.28 -1.43 2.02 -1.32 -0.79 -4.47 115.64 111.58 1pum s THR 210 Ca 0.75 -1.02 -0.09 0.00 -1.21 0.00 0.00 61.69 60.12 1pum s THR 210 Cb -0.39 -2.73 0.02 0.00 -1.51 0.00 0.00 72.50 67.89 1pum s THR 210 CO 0.44 0.07 1.03 0.47 -2.21 0.00 0.00 174.62 174.42 1pum n ASP 211 N 4.73 -6.03 0.00 8.08 8.00 -1.26 -1.81 116.55 128.26 1pum n ASP 211 Ca -0.15 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.82 1pum n ASP 211 Cb 0.46 -4.77 0.00 0.00 -0.02 0.00 0.00 41.12 36.79 1pum n ASP 211 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pum n GLY 212 N -1.85 1.59 3.66 0.44 0.00 -1.26 -5.02 105.19 102.75 1pum n GLY 212 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1pum n GLY 212 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pum s VAL 213 N -3.30 5.19 0.22 1.61 1.01 -0.75 -1.42 120.40 122.94 1pum s VAL 213 Ca 0.00 0.72 -0.30 0.00 0.00 0.00 0.00 61.98 62.40 1pum s VAL 213 Cb 0.00 -3.74 -0.09 0.00 0.00 0.00 0.00 36.38 32.55 1pum s VAL 213 CO 0.00 0.23 1.35 -0.36 0.00 0.00 0.00 175.10 176.33 1pum s PHE 214 N 1.42 3.18 -0.28 5.22 0.40 -0.10 -1.89 117.98 125.92 1pum s PHE 214 Ca 0.19 1.15 0.19 0.00 -0.60 0.00 0.00 56.93 57.87 1pum s PHE 214 Cb -0.15 -3.68 0.24 0.00 0.51 0.00 0.00 43.02 39.94 1pum s PHE 214 CO 0.08 -2.15 1.54 -0.91 0.70 0.00 0.00 175.22 174.48 1pum h ASN 215 N 5.26 0.00 -2.75 1.36 4.21 -1.86 -3.40 115.58 118.41 1pum h ASN 215 Ca -0.45 0.00 -0.58 0.00 1.21 0.00 0.00 56.30 56.48 1pum h ASN 215 Cb 1.22 0.00 -0.39 0.00 -1.12 0.00 0.00 38.32 38.02 1pum h ASN 215 CO 0.77 0.25 -0.83 0.20 -1.29 0.00 0.00 177.43 176.53 1pum s ASN 216 N -6.32 3.12 0.55 5.81 -0.87 -1.26 -5.13 114.94 110.84 1pum s ASN 216 Ca 0.05 -2.18 -0.19 0.00 -1.57 0.00 0.00 52.86 48.97 1pum s ASN 216 Cb 0.06 -0.50 -0.09 0.00 -0.02 0.00 0.00 41.25 40.70 1pum s ASN 216 CO 0.70 -0.31 0.50 -2.65 -2.57 0.00 0.00 177.10 172.77 1pum n PRO 217 N 4.06 0.50 -4.62 -0.60 -0.02 -1.26 -4.98 135.00 128.09 1pum n PRO 217 Ca 0.10 0.19 -0.33 0.00 -2.02 0.00 0.00 63.50 61.44 1pum n PRO 217 Cb 0.37 -1.65 -0.15 0.00 -0.02 0.00 0.00 33.50 32.06 1pum n PRO 217 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1pum s ILE 218 N -1.71 2.86 -0.20 4.25 1.01 -0.47 -4.93 121.20 122.01 1pum s ILE 218 Ca 0.67 -0.71 -0.08 0.00 0.00 0.00 0.00 60.65 60.53 1pum s ILE 218 Cb -0.46 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 1pum s ILE 218 CO 0.55 0.51 0.09 0.00 0.00 0.00 0.00 174.94 176.10 1pum s ALA 219 N 0.64 3.47 -0.11 9.38 0.00 -1.26 0.58 121.76 134.47 1pum s ALA 219 Ca -0.07 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1pum s ALA 219 Cb -0.16 -2.03 0.01 0.00 0.00 0.00 0.00 23.12 20.94 1pum s ALA 219 CO 0.03 0.09 -0.19 -0.51 0.00 0.00 0.00 175.76 175.18 1pum s LEU 220 N 0.53 1.90 0.68 0.00 1.43 0.91 -4.96 118.68 119.16 1pum s LEU 220 Ca 0.05 -0.48 -0.12 0.00 -1.03 0.00 0.00 54.13 52.54 1pum s LEU 220 Cb -0.12 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 44.88 1pum s LEU 220 CO 0.01 0.07 1.06 0.00 0.23 0.00 0.00 176.35 177.72 1pum s ALA 221 N 0.72 2.66 0.00 4.21 0.00 -1.26 0.48 121.76 128.57 1pum s ALA 221 Ca -0.11 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1pum s ALA 221 Cb -0.16 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1pum s ALA 221 CO 0.02 -1.16 0.00 1.28 0.00 0.00 0.00 175.76 175.90 1pum n LEU 222 N -2.88 0.00 0.00 0.00 7.99 0.99 -4.23 117.00 118.87 1pum n LEU 222 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.08 1pum n LEU 222 Cb 0.53 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.84 1pum n LEU 222 CO 0.53 0.00 0.00 -1.20 -1.51 0.00 0.00 177.39 175.21 1pum n SER 223 N 0.00 0.00 -4.58 -1.43 7.64 -1.26 -4.50 113.62 109.49 1pum n SER 223 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 1pum n SER 223 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1pum n SER 223 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1pum s PRO 224 N 0.00 1.50 -0.79 1.43 0.04 -1.26 -4.29 135.00 131.63 1pum s PRO 224 Ca 0.00 -0.56 -0.04 0.00 0.04 0.00 0.00 61.00 60.44 1pum s PRO 224 Cb 0.00 -5.03 0.04 0.00 0.04 0.00 0.00 34.50 29.55 1pum s PRO 224 CO 0.00 -5.10 0.10 0.41 0.04 0.00 0.00 177.00 172.45 1pum n GLY 225 N 6.10 -0.10 3.64 0.56 0.00 -1.26 -4.89 105.19 109.24 1pum n GLY 225 Ca 0.42 0.07 -0.29 0.00 0.00 0.00 0.00 46.02 46.22 1pum n GLY 225 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pum s SER 226 N -3.11 3.56 0.12 1.61 0.01 -1.26 -5.00 113.70 109.64 1pum s SER 226 Ca 0.14 -1.59 -0.06 0.00 1.31 0.00 0.00 55.95 55.75 1pum s SER 226 Cb -0.08 0.32 -0.02 0.00 0.21 0.00 0.00 66.02 66.45 1pum s SER 226 CO 0.48 -0.79 0.16 -0.69 0.41 0.00 0.00 173.24 172.81 1pum s VAL 227 N -2.98 0.12 -0.01 3.43 1.01 -1.26 -0.01 120.40 120.70 1pum s VAL 227 Ca 0.18 -1.50 0.05 0.00 0.00 0.00 0.00 61.98 60.71 1pum s VAL 227 Cb 0.04 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 1pum s VAL 227 CO 0.10 -0.55 -0.16 0.54 0.00 0.00 0.00 175.10 175.03 1pum s VAL 228 N -3.95 1.25 -0.15 2.92 0.11 0.18 -4.88 120.40 115.89 1pum s VAL 228 Ca 0.13 -0.68 -0.01 0.00 -2.93 0.00 0.00 61.98 58.49 1pum s VAL 228 Cb 0.05 -1.04 -0.02 0.00 -1.53 0.00 0.00 36.38 33.84 1pum s VAL 228 CO -0.04 0.35 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.09 1pum s THR 229 N -0.38 3.28 -0.37 5.04 2.01 -1.26 -0.06 115.64 123.90 1pum s THR 229 Ca 0.06 -0.57 -0.19 0.00 0.31 0.00 0.00 61.69 61.30 1pum s THR 229 Cb -0.06 -2.41 0.01 0.00 0.01 0.00 0.00 72.50 70.05 1pum s THR 229 CO -0.01 0.51 0.55 -0.76 -0.69 0.00 0.00 174.62 174.23 1pum s LEU 230 N 0.47 4.41 0.00 4.42 1.02 0.20 -4.89 118.68 124.31 1pum s LEU 230 Ca -0.07 -0.12 0.00 0.00 0.02 0.00 0.00 54.13 53.96 1pum s LEU 230 Cb -0.15 -2.63 0.00 0.00 0.02 0.00 0.00 46.19 43.43 1pum s LEU 230 CO 0.04 -0.57 0.00 0.35 0.02 0.00 0.00 176.35 176.19 1pum n THR 231 N 5.54 0.00 -3.79 5.49 -2.24 -1.26 -1.37 114.28 116.65 1pum n THR 231 Ca -0.04 -0.17 -0.11 0.00 -2.27 0.00 0.00 64.05 61.46 1pum n THR 231 Cb 0.48 0.66 -0.08 0.00 -2.10 0.00 0.00 70.33 69.29 1pum n THR 231 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1pum s ASN 232 N -1.39 -0.08 0.61 3.42 3.84 -1.26 -0.93 114.94 119.15 1pum s ASN 232 Ca 0.00 -0.19 0.32 0.00 0.21 0.00 0.00 52.86 53.20 1pum s ASN 232 Cb 0.00 0.32 1.86 0.00 -0.55 0.00 0.00 41.25 42.88 1pum s ASN 232 CO 0.00 -0.55 2.18 -0.37 -2.79 0.00 0.00 177.10 175.57 1pum h VAL 233 N 3.47 0.34 0.00 -5.21 -1.51 -1.63 0.44 116.25 112.15 1pum h VAL 233 Ca -0.31 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.13 1pum h VAL 233 Cb 1.19 0.90 -0.00 0.00 -2.13 0.00 0.00 31.29 31.25 1pum h VAL 233 CO 0.45 0.00 -0.11 0.03 -1.23 0.00 0.00 177.57 176.71 1pum h ARG 234 N 0.00 0.00 0.00 5.19 3.08 -1.95 0.61 114.38 121.30 1pum h ARG 234 Ca 0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1pum h ARG 234 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1pum h ARG 234 CO -0.00 0.11 -0.02 -0.44 -1.07 0.00 0.00 179.97 178.55 1pum h ASP 235 N 0.00 0.00 0.00 7.04 3.32 -0.51 -3.31 116.42 122.96 1pum h ASP 235 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pum h ASP 235 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1pum h ASP 235 CO 0.01 0.02 0.00 1.33 -1.72 0.00 0.00 179.24 178.89 1pum n VAL 236 N -3.12 0.00 -0.27 -1.35 0.24 -0.51 -4.79 118.33 108.54 1pum n VAL 236 Ca 0.01 -0.40 0.23 0.00 -2.04 0.00 0.00 64.34 62.15 1pum n VAL 236 Cb 0.36 1.06 0.57 0.00 -1.47 0.00 0.00 33.84 34.36 1pum n VAL 236 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 1pum h ILE 237 N 0.06 0.58 0.00 1.34 6.09 0.07 -0.48 117.51 125.17 1pum h ILE 237 Ca 0.00 -0.10 -0.20 0.00 -1.37 0.00 0.00 64.86 63.19 1pum h ILE 237 Cb 0.03 0.26 -0.03 0.00 0.47 0.00 0.00 36.82 37.55 1pum h ILE 237 CO 0.00 0.05 -1.11 0.00 -3.07 0.00 0.00 178.15 174.03 1pum h ALA 238 N 1.59 0.55 0.00 0.18 0.00 -1.85 -3.40 119.26 116.32 1pum h ALA 238 Ca 0.51 -0.93 -0.38 0.00 0.00 0.00 0.00 54.91 54.10 1pum h ALA 238 Cb 1.47 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.24 1pum h ALA 238 CO -0.17 1.16 -2.46 -1.13 0.00 0.00 0.00 179.25 176.65 1pum n SER 239 N -3.20 1.63 -4.56 0.00 3.41 -0.64 -4.71 113.62 105.55 1pum n SER 239 Ca -0.05 -0.11 -0.40 0.00 -0.26 0.00 0.00 58.87 58.05 1pum n SER 239 Cb 0.91 -0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.68 1pum n SER 239 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1pum s LEU 240 N -6.32 3.30 0.11 1.04 2.96 -0.28 -0.84 118.68 118.64 1pum s LEU 240 Ca -0.30 0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 53.84 1pum s LEU 240 Cb 0.08 -2.69 -0.17 0.00 0.50 0.00 0.00 46.19 43.91 1pum s LEU 240 CO 0.64 -2.14 1.24 0.00 -1.32 0.00 0.00 176.35 174.77 1pum h ALA 241 N 13.41 0.25 -2.05 5.97 0.00 -0.99 -3.46 119.26 132.38 1pum h ALA 241 Ca -0.27 -0.78 -0.05 0.00 0.00 0.00 0.00 54.91 53.81 1pum h ALA 241 Cb 1.13 -0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.72 1pum h ALA 241 CO 1.21 0.87 0.13 -1.50 0.00 0.00 0.00 179.25 179.95 1pum s ILE 242 N -3.02 0.00 0.26 0.00 2.07 -1.23 -4.25 121.20 115.03 1pum s ILE 242 Ca -0.05 -0.01 0.10 0.00 -1.41 0.00 0.00 60.65 59.28 1pum s ILE 242 Cb 0.08 -0.97 -0.05 0.00 0.13 0.00 0.00 42.46 41.65 1pum s ILE 242 CO 0.88 -0.01 -0.08 -0.04 -1.91 0.00 0.00 174.94 173.78 1pum s MET 243 N -0.28 2.05 0.17 3.50 -1.94 0.00 -4.80 119.30 118.00 1pum s MET 243 Ca -0.05 -1.53 -0.30 0.00 -1.71 0.00 0.00 55.69 52.10 1pum s MET 243 Cb -0.03 -2.02 -0.08 0.00 2.01 0.00 0.00 34.83 34.71 1pum s MET 243 CO 0.05 0.36 1.25 -1.17 -0.01 0.00 0.00 175.02 175.49 1pum s LEU 244 N -3.54 4.42 -0.36 -0.03 2.96 -1.26 -1.01 118.68 119.86 1pum s LEU 244 Ca 0.30 2.26 -0.29 0.00 -0.22 0.00 0.00 54.13 56.19 1pum s LEU 244 Cb -0.06 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 43.03 1pum s LEU 244 CO 0.18 -0.45 1.48 0.12 -1.32 0.00 0.00 176.35 176.35 1pum s PHE 245 N 0.24 2.31 -0.18 5.38 2.19 -1.26 -4.82 117.98 121.84 1pum s PHE 245 Ca 0.56 0.68 0.13 0.00 0.33 0.00 0.00 56.93 58.63 1pum s PHE 245 Cb -0.34 -4.18 -0.20 0.00 -1.31 0.00 0.00 43.02 36.98 1pum s PHE 245 CO 0.36 -2.21 0.02 0.28 1.83 0.00 0.00 175.22 175.50 1pum n VAL 246 N 6.93 1.21 -0.10 3.12 0.31 -1.26 -4.59 118.33 123.94 1pum n VAL 246 Ca 0.18 -0.70 -0.10 0.00 -0.01 0.00 0.00 64.34 63.71 1pum n VAL 246 Cb 0.47 -0.65 -0.02 0.00 -0.91 0.00 0.00 33.84 32.73 1pum n VAL 246 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pum n GLY 248 N -0.75 -0.98 0.00 0.00 0.00 -1.26 -5.21 105.19 96.98 1pum n GLY 248 Ca -0.02 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1pum n GLY 248 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11