#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uem n SER 2 N 0.00 0.00 -4.63 1.61 7.64 -1.26 -5.04 113.62 111.94 1uem n SER 2 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1uem n SER 2 Cb 0.00 0.10 0.18 0.00 -1.01 0.00 0.00 64.21 63.48 1uem n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1uem s SER 3 N -3.02 2.49 0.00 6.43 0.01 -1.26 -5.10 113.70 113.26 1uem s SER 3 Ca 0.00 1.63 0.00 0.00 1.31 0.00 0.00 55.95 58.89 1uem s SER 3 Cb 0.00 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.95 1uem s SER 3 CO 0.00 -3.28 0.00 0.61 0.41 0.00 0.00 173.24 170.98 1uem n GLY 4 N -0.22 4.20 0.41 3.44 0.00 -1.26 -5.09 105.19 106.67 1uem n GLY 4 Ca 0.07 -2.04 0.06 0.00 0.00 0.00 0.00 46.02 44.10 1uem n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uem n SER 5 N -0.14 -2.44 -4.69 1.61 7.64 -1.26 -4.96 113.62 109.39 1uem n SER 5 Ca 0.00 0.19 -0.33 0.00 1.01 0.00 0.00 58.87 59.73 1uem n SER 5 Cb 0.00 -1.26 0.13 0.00 -1.01 0.00 0.00 64.21 62.07 1uem n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1uem n SER 6 N -2.13 0.96 -4.63 6.43 7.64 -1.26 -4.95 113.62 115.68 1uem n SER 6 Ca 0.00 0.58 -0.42 0.00 1.01 0.00 0.00 58.87 60.04 1uem n SER 6 Cb 0.19 -1.50 -0.03 0.00 -1.01 0.00 0.00 64.21 61.86 1uem n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1uem s GLY 7 N -2.12 1.06 -0.37 0.23 0.00 -1.26 -4.87 107.32 99.99 1uem s GLY 7 Ca 0.73 0.99 -0.06 0.00 0.00 0.00 0.00 44.72 46.39 1uem s GLY 7 CO 0.51 3.53 3.30 0.28 0.00 0.00 0.00 173.10 180.72 1uem n LYS 8 N 8.02 2.42 -2.31 2.90 5.02 -1.26 -4.85 118.16 128.11 1uem n LYS 8 Ca 0.23 -1.57 -0.40 0.00 -2.02 0.00 0.00 58.31 54.55 1uem n LYS 8 Cb 0.43 -2.16 -0.01 0.00 -0.02 0.00 0.00 35.03 33.27 1uem n LYS 8 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1uem n ASN 9 N 2.23 4.35 -1.10 4.39 4.13 -1.26 -4.71 115.26 123.30 1uem n ASN 9 Ca 0.50 -2.86 0.14 0.00 1.68 0.00 0.00 54.58 54.04 1uem n ASN 9 Cb 0.72 -1.71 -0.03 0.00 -1.54 0.00 0.00 39.78 37.22 1uem n ASN 9 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1uem n TYR 10 N 9.12 -3.15 -3.81 3.10 4.01 -1.26 -5.09 117.16 120.08 1uem n TYR 10 Ca 0.49 1.28 -0.01 0.00 -0.16 0.00 0.00 57.90 59.49 1uem n TYR 10 Cb 0.45 -2.35 0.01 0.00 -0.31 0.00 0.00 39.34 37.15 1uem n TYR 10 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1uem n ASP 11 N -4.24 -1.19 -0.91 7.72 -0.08 -1.26 -5.10 116.55 111.48 1uem n ASP 11 Ca 0.01 -1.57 0.00 0.00 -1.51 0.00 0.00 54.79 51.72 1uem n ASP 11 Cb 0.47 1.92 0.00 0.00 2.34 0.00 0.00 41.12 45.85 1uem n ASP 11 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1uem n LEU 12 N 0.00 0.00 -4.61 -2.67 4.32 -1.26 -4.74 117.00 108.04 1uem n LEU 12 Ca -0.01 0.00 -0.51 0.00 -0.02 0.00 0.00 56.01 55.48 1uem n LEU 12 Cb 0.43 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.17 1uem n LEU 12 CO 0.15 0.00 0.97 -1.20 -1.22 0.00 0.00 177.39 176.09 1uem n SER 13 N 0.78 1.97 0.28 -1.43 7.64 -1.26 -4.88 113.62 116.72 1uem n SER 13 Ca 0.00 1.11 0.17 0.00 1.01 0.00 0.00 58.87 61.16 1uem n SER 13 Cb 0.00 -1.24 0.72 0.00 -1.01 0.00 0.00 64.21 62.68 1uem n SER 13 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1uem h ASP 14 N 4.91 0.00 -3.10 6.43 5.19 -1.97 -3.36 116.42 124.53 1uem h ASP 14 Ca -0.47 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 55.46 1uem h ASP 14 Cb 1.32 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.85 1uem h ASP 14 CO 0.80 0.03 -0.07 -0.76 -3.12 0.00 0.00 179.24 176.13 1uem s LEU 15 N -6.31 3.83 0.49 1.55 1.43 -1.26 -4.09 118.68 114.33 1uem s LEU 15 Ca 0.00 0.62 -0.22 0.00 -1.03 0.00 0.00 54.13 53.51 1uem s LEU 15 Cb 0.10 -3.52 -0.07 0.00 0.03 0.00 0.00 46.19 42.73 1uem s LEU 15 CO 0.54 -0.44 1.14 -2.16 0.23 0.00 0.00 176.35 175.66 1uem s PRO 16 N -4.50 3.64 0.72 1.29 0.04 -1.26 -4.40 135.00 130.53 1uem s PRO 16 Ca 0.43 1.68 -0.14 0.00 0.04 0.00 0.00 61.00 63.01 1uem s PRO 16 Cb -0.10 -2.25 0.03 0.00 0.04 0.00 0.00 34.50 32.22 1uem s PRO 16 CO 0.40 -0.63 1.15 0.20 0.04 0.00 0.00 177.00 178.16 1uem s GLY 17 N -1.55 2.16 0.38 0.56 0.00 0.38 -4.68 107.32 104.58 1uem s GLY 17 Ca 0.67 0.68 -0.27 0.00 0.00 0.00 0.00 44.72 45.79 1uem s GLY 17 CO 0.31 1.06 1.40 2.56 0.00 0.00 0.00 173.10 178.42 1uem s PRO 18 N -4.12 4.07 1.16 2.90 0.04 -1.26 -4.08 135.00 133.72 1uem s PRO 18 Ca 0.70 2.38 -0.15 0.00 0.04 0.00 0.00 61.00 63.97 1uem s PRO 18 Cb -0.24 -2.90 0.27 0.00 0.04 0.00 0.00 34.50 31.67 1uem s PRO 18 CO 0.46 -0.49 1.04 -1.25 0.04 0.00 0.00 177.00 176.80 1uem s PRO 19 N -2.11 -0.90 1.10 0.56 0.04 -1.26 -3.14 135.00 129.29 1uem s PRO 19 Ca 0.54 0.50 -0.13 0.00 0.04 0.00 0.00 61.00 61.94 1uem s PRO 19 Cb -0.43 -1.58 0.24 0.00 0.04 0.00 0.00 34.50 32.77 1uem s PRO 19 CO 0.57 -3.62 1.06 -1.12 0.04 0.00 0.00 177.00 173.93 1uem s SER 20 N -3.07 1.68 -0.07 6.66 0.01 -0.21 -4.47 113.70 114.22 1uem s SER 20 Ca 0.68 1.24 -0.37 0.00 1.31 0.00 0.00 55.95 58.81 1uem s SER 20 Cb -0.20 -1.93 -0.15 0.00 0.21 0.00 0.00 66.02 63.95 1uem s SER 20 CO 0.61 -3.73 1.60 1.17 0.41 0.00 0.00 173.24 173.29 1uem n LYS 21 N -4.57 1.39 -2.00 12.44 4.81 -1.26 -4.53 118.16 124.43 1uem n LYS 21 Ca 0.05 0.51 -0.41 0.00 -0.87 0.00 0.00 58.31 57.58 1uem n LYS 21 Cb 0.56 -2.20 -0.02 0.00 0.02 0.00 0.00 35.03 33.39 1uem n LYS 21 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1uem s PRO 22 N 2.21 4.26 0.73 1.64 0.04 -1.26 -4.77 135.00 137.85 1uem s PRO 22 Ca 0.90 2.32 -0.11 0.00 0.04 0.00 0.00 61.00 64.15 1uem s PRO 22 Cb -0.94 -3.09 0.03 0.00 0.04 0.00 0.00 34.50 30.54 1uem s PRO 22 CO 0.54 -0.40 1.10 -0.65 0.04 0.00 0.00 177.00 177.62 1uem s GLN 23 N -0.67 2.67 -0.22 4.56 -1.52 0.90 -4.43 119.66 120.95 1uem s GLN 23 Ca 0.58 0.51 0.01 0.00 -1.95 0.00 0.00 55.36 54.50 1uem s GLN 23 Cb -0.42 -2.00 0.05 0.00 -0.22 0.00 0.00 33.01 30.42 1uem s GLN 23 CO 0.46 -1.18 -0.08 0.08 -0.25 0.00 0.00 175.29 174.32 1uem s VAL 24 N -3.31 1.65 0.00 1.09 1.01 -1.26 -1.41 120.40 118.17 1uem s VAL 24 Ca 0.59 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1uem s VAL 24 Cb -0.12 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1uem s VAL 24 CO 0.52 0.05 0.00 0.35 0.00 0.00 0.00 175.10 176.02 1uem n THR 25 N 4.65 0.00 -2.29 3.92 -2.24 -0.77 -4.98 114.28 112.57 1uem n THR 25 Ca -0.14 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.23 1uem n THR 25 Cb 0.45 -0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 68.01 1uem n THR 25 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uem s ASP 26 N -0.06 6.98 -0.01 3.42 -1.08 -1.26 -4.90 116.67 119.76 1uem s ASP 26 Ca 0.00 2.32 -0.00 0.00 -0.52 0.00 0.00 52.55 54.35 1uem s ASP 26 Cb 0.00 -2.61 0.01 0.00 -1.46 0.00 0.00 42.92 38.87 1uem s ASP 26 CO 0.00 -0.46 0.01 0.54 0.52 0.00 0.00 175.17 175.78 1uem s VAL 27 N 0.09 -0.03 0.00 1.11 0.11 -1.26 -0.40 120.40 120.02 1uem s VAL 27 Ca 0.55 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.70 1uem s VAL 27 Cb -0.35 -0.04 0.00 0.00 -1.53 0.00 0.00 36.38 34.46 1uem s VAL 27 CO 0.37 0.04 0.00 0.35 -3.33 0.00 0.00 175.10 172.53 1uem n THR 28 N 3.58 0.00 0.00 5.04 -2.24 -0.26 -4.89 114.28 115.51 1uem n THR 28 Ca -0.19 0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1uem n THR 28 Cb 0.56 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 1uem n THR 28 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1uem n LYS 29 N -1.98 0.00 0.00 -0.78 2.85 -1.26 -4.50 118.16 112.49 1uem n LYS 29 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1uem n LYS 29 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1uem n LYS 29 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1uem n ASN 30 N -0.27 0.00 -4.35 -5.58 0.23 -1.26 -1.99 115.26 102.04 1uem n ASN 30 Ca 0.00 -1.00 -0.18 0.00 -0.53 0.00 0.00 54.58 52.87 1uem n ASN 30 Cb 0.00 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.60 1uem n ASN 30 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1uem s SER 31 N 0.00 2.51 -0.17 0.53 1.04 -1.26 -1.22 113.70 115.13 1uem s SER 31 Ca 0.00 -1.04 -0.11 0.00 0.48 0.00 0.00 55.95 55.27 1uem s SER 31 Cb 0.00 -0.13 0.05 0.00 0.10 0.00 0.00 66.02 66.05 1uem s SER 31 CO 0.00 -0.21 0.42 0.54 0.98 0.00 0.00 173.24 174.97 1uem s VAL 32 N -3.02 -0.02 0.06 5.02 0.11 -0.70 -1.10 120.40 120.76 1uem s VAL 32 Ca 0.23 0.06 -0.30 0.00 -2.93 0.00 0.00 61.98 59.04 1uem s VAL 32 Cb 0.00 -0.61 -0.05 0.00 -1.53 0.00 0.00 36.38 34.20 1uem s VAL 32 CO 0.07 0.02 0.97 -0.89 -3.33 0.00 0.00 175.10 171.94 1uem s THR 33 N 0.97 4.66 -0.06 5.04 2.01 0.47 -0.58 115.64 128.15 1uem s THR 33 Ca -0.06 2.07 -0.02 0.00 0.31 0.00 0.00 61.69 63.98 1uem s THR 33 Cb -0.06 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 1uem s THR 33 CO -0.08 0.25 0.06 -0.76 -0.69 0.00 0.00 174.62 173.40 1uem s LEU 34 N 0.43 3.85 -0.15 4.42 1.43 -0.21 -1.86 118.68 126.59 1uem s LEU 34 Ca 0.49 0.20 -0.05 0.00 -1.03 0.00 0.00 54.13 53.75 1uem s LEU 34 Cb -0.22 -2.03 0.06 0.00 0.03 0.00 0.00 46.19 44.02 1uem s LEU 34 CO 0.29 0.34 0.09 -0.44 0.23 0.00 0.00 176.35 176.87 1uem s SER 35 N -1.24 2.13 0.33 2.29 0.01 -0.50 -1.63 113.70 115.09 1uem s SER 35 Ca 0.17 -0.49 0.03 0.00 1.31 0.00 0.00 55.95 56.97 1uem s SER 35 Cb -0.12 -0.20 -0.06 0.00 0.21 0.00 0.00 66.02 65.86 1uem s SER 35 CO 0.07 -0.33 0.07 -1.66 0.41 0.00 0.00 173.24 171.80 1uem s TRP 36 N 2.15 1.88 0.05 2.43 -2.14 -0.64 -0.07 118.94 122.60 1uem s TRP 36 Ca 0.03 -1.04 0.07 0.00 2.66 0.00 0.00 56.10 57.82 1uem s TRP 36 Cb -0.15 -1.21 -0.03 0.00 -3.10 0.00 0.00 33.47 28.98 1uem s TRP 36 CO -0.08 -0.09 -0.21 -0.65 -2.66 0.00 0.00 176.95 173.27 1uem s GLN 37 N -3.88 1.35 0.36 3.25 -0.21 -1.26 -4.77 119.66 114.50 1uem s GLN 37 Ca 0.34 -0.96 -0.26 0.00 0.02 0.00 0.00 55.36 54.51 1uem s GLN 37 Cb 0.08 -1.47 -0.09 0.00 1.00 0.00 0.00 33.01 32.52 1uem s GLN 37 CO 0.15 0.37 1.07 -1.25 -2.12 0.00 0.00 175.29 173.51 1uem s PRO 38 N -1.26 4.30 0.50 2.91 0.04 -1.26 -1.05 135.00 139.19 1uem s PRO 38 Ca 0.07 1.62 -0.05 0.00 0.04 0.00 0.00 61.00 62.68 1uem s PRO 38 Cb -0.09 -2.75 0.11 0.00 0.04 0.00 0.00 34.50 31.81 1uem s PRO 38 CO 0.02 -0.04 0.69 0.41 0.04 0.00 0.00 177.00 178.12 1uem n GLY 39 N 0.62 -0.31 3.71 0.56 0.00 -1.19 -4.79 105.19 103.79 1uem n GLY 39 Ca 0.03 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 1uem n GLY 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1uem n THR 40 N -2.67 0.68 -0.32 2.61 -1.04 -1.26 -4.40 114.28 107.88 1uem n THR 40 Ca 0.10 -0.17 -0.05 0.00 -2.04 0.00 0.00 64.05 61.89 1uem n THR 40 Cb 0.35 -1.77 0.05 0.00 -1.82 0.00 0.00 70.33 67.14 1uem n THR 40 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1uem n PRO 41 N 2.61 -1.93 0.00 -2.82 -0.04 -1.26 -0.47 135.00 131.10 1uem n PRO 41 Ca 0.12 -0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1uem n PRO 41 Cb 0.34 -0.30 0.00 0.00 -0.04 0.00 0.00 33.50 33.50 1uem n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uem n GLY 42 N 0.15 1.12 0.27 0.55 0.00 -1.26 -4.67 105.19 101.34 1uem n GLY 42 Ca 0.02 0.33 0.14 0.00 0.00 0.00 0.00 46.02 46.52 1uem n GLY 42 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1uem h THR 43 N 0.00 0.38 -3.29 2.61 2.02 -1.76 -3.42 112.91 109.45 1uem h THR 43 Ca 0.00 -0.59 -0.44 0.00 0.77 0.00 0.00 66.41 66.15 1uem h THR 43 Cb 0.00 1.43 -0.14 0.00 -1.74 0.00 0.00 68.15 67.70 1uem h THR 43 CO 0.00 0.10 -0.59 -0.76 0.37 0.00 0.00 175.52 174.65 1uem s LEU 44 N -6.81 1.88 0.00 2.58 1.43 -1.26 -5.10 118.68 111.41 1uem s LEU 44 Ca -0.02 -1.46 0.00 0.00 -1.03 0.00 0.00 54.13 51.62 1uem s LEU 44 Cb 0.12 -0.11 0.00 0.00 0.03 0.00 0.00 46.19 46.23 1uem s LEU 44 CO 0.57 -0.75 0.00 -0.81 0.23 0.00 0.00 176.35 175.59 1uem n PRO 45 N -0.64 2.59 -3.66 1.29 -0.04 -1.26 -4.78 135.00 128.51 1uem n PRO 45 Ca -0.02 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.38 1uem n PRO 45 Cb 0.66 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 34.04 1uem n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uem s ALA 46 N -3.64 -1.43 0.34 0.55 0.00 -1.26 -4.46 121.76 111.86 1uem s ALA 46 Ca 0.00 1.77 0.03 0.00 0.00 0.00 0.00 51.96 53.76 1uem s ALA 46 Cb 0.00 -1.46 0.62 0.00 0.00 0.00 0.00 23.12 22.27 1uem s ALA 46 CO 0.00 -0.80 1.95 0.77 0.00 0.00 0.00 175.76 177.68 1uem h SER 47 N 8.10 0.65 -0.58 0.00 0.02 -1.20 -3.47 113.55 117.08 1uem h SER 47 Ca -0.17 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1uem h SER 47 Cb 1.11 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1uem h SER 47 CO 0.12 0.55 0.00 0.00 -1.14 0.00 0.00 176.83 176.36 1uem n ALA 48 N -2.46 0.00 -2.54 3.77 0.00 -1.22 -4.96 120.51 113.11 1uem n ALA 48 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.23 1uem n ALA 48 Cb 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.47 1uem n ALA 48 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1uem s TYR 49 N -6.20 2.27 0.15 0.00 2.02 0.13 -0.32 117.35 115.40 1uem s TYR 49 Ca 0.00 -0.76 0.07 0.00 -0.37 0.00 0.00 57.07 56.01 1uem s TYR 49 Cb 0.00 -1.52 -0.04 0.00 -0.40 0.00 0.00 41.96 40.00 1uem s TYR 49 CO 0.00 0.29 -0.16 0.42 -1.57 0.00 0.00 175.55 174.53 1uem s ILE 50 N -2.94 1.59 -0.03 2.71 1.01 0.68 -0.70 121.20 123.53 1uem s ILE 50 Ca 0.35 -1.90 0.04 0.00 0.00 0.00 0.00 60.65 59.14 1uem s ILE 50 Cb 0.09 -1.76 -0.00 0.00 0.01 0.00 0.00 42.46 40.79 1uem s ILE 50 CO 0.17 -0.42 -0.14 -0.63 0.00 0.00 0.00 174.94 173.91 1uem s ILE 51 N -2.30 1.16 0.16 2.92 1.01 -0.48 -1.53 121.20 122.14 1uem s ILE 51 Ca 0.14 -0.58 0.10 0.00 0.00 0.00 0.00 60.65 60.31 1uem s ILE 51 Cb -0.04 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 1uem s ILE 51 CO 0.05 0.34 -0.22 -1.61 0.00 0.00 0.00 174.94 173.50 1uem s GLU 52 N -0.02 1.35 -0.02 2.79 2.02 -0.61 -1.49 118.70 122.72 1uem s GLU 52 Ca -0.01 -1.40 -0.00 0.00 0.02 0.00 0.00 54.97 53.58 1uem s GLU 52 Cb -0.09 -1.59 0.03 0.00 0.10 0.00 0.00 34.13 32.58 1uem s GLU 52 CO 0.01 0.35 0.04 0.00 0.02 0.00 0.00 175.26 175.67 1uem s ALA 53 N -1.65 0.08 0.15 5.21 0.00 -0.13 -0.81 121.76 124.61 1uem s ALA 53 Ca 0.16 0.31 -0.03 0.00 0.00 0.00 0.00 51.96 52.40 1uem s ALA 53 Cb -0.08 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.69 1uem s ALA 53 CO 0.07 -0.16 0.35 0.12 0.00 0.00 0.00 175.76 176.15 1uem s PHE 54 N 1.22 3.48 -0.30 0.00 2.19 -1.04 -1.17 117.98 122.37 1uem s PHE 54 Ca -0.07 0.44 -0.01 0.00 0.33 0.00 0.00 56.93 57.62 1uem s PHE 54 Cb -0.13 -1.92 0.19 0.00 -1.31 0.00 0.00 43.02 39.85 1uem s PHE 54 CO -0.03 0.44 0.70 -1.54 1.83 0.00 0.00 175.22 176.62 1uem s SER 55 N -2.66 -1.25 0.43 6.13 1.04 -0.69 -0.88 113.70 115.83 1uem s SER 55 Ca 0.39 0.50 0.12 0.00 0.48 0.00 0.00 55.95 57.44 1uem s SER 55 Cb -0.12 1.93 0.93 0.00 0.10 0.00 0.00 66.02 68.87 1uem s SER 55 CO 0.26 -0.23 1.99 -0.61 0.98 0.00 0.00 173.24 175.63 1uem h GLN 56 N 7.93 0.17 -1.79 4.02 4.15 -1.82 0.48 115.11 128.25 1uem h GLN 56 Ca -0.13 -0.03 -0.72 0.00 0.77 0.00 0.00 58.65 58.54 1uem h GLN 56 Cb 1.17 -0.03 -0.31 0.00 0.21 0.00 0.00 27.48 28.52 1uem h GLN 56 CO 0.14 0.26 0.57 0.43 -1.93 0.00 0.00 178.83 178.30 1uem n SER 57 N -4.35 6.80 0.00 -0.69 7.64 -1.26 -4.06 113.62 117.69 1uem n SER 57 Ca -0.01 -3.81 0.00 0.00 1.01 0.00 0.00 58.87 56.06 1uem n SER 57 Cb 0.21 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 1uem n SER 57 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1uem n VAL 58 N -0.55 0.00 -0.28 0.44 0.31 -0.56 -4.99 118.33 112.70 1uem n VAL 58 Ca 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.84 1uem n VAL 58 Cb 0.38 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 1uem n VAL 58 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1uem n SER 59 N -0.14 0.99 0.00 4.52 7.64 -1.15 -5.04 113.62 120.45 1uem n SER 59 Ca 0.00 -1.28 0.00 0.00 1.01 0.00 0.00 58.87 58.60 1uem n SER 59 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1uem n SER 59 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1uem n ASN 60 N -0.14 0.00 -3.57 6.43 5.15 0.05 -4.90 115.26 118.29 1uem n ASN 60 Ca 0.00 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.65 1uem n ASN 60 Cb 0.17 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.42 1uem n ASN 60 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1uem n SER 61 N 1.46 -2.83 -4.74 1.20 7.64 -1.26 -1.70 113.62 113.39 1uem n SER 61 Ca 0.00 0.60 -0.41 0.00 1.01 0.00 0.00 58.87 60.06 1uem n SER 61 Cb 0.00 -0.72 -0.02 0.00 -1.01 0.00 0.00 64.21 62.46 1uem n SER 61 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1uem s TRP 62 N -1.58 3.03 -0.06 1.43 0.52 -1.26 -4.16 118.94 116.85 1uem s TRP 62 Ca 0.48 1.02 0.02 0.00 0.02 0.00 0.00 56.10 57.64 1uem s TRP 62 Cb -0.46 -3.82 0.01 0.00 -1.15 0.00 0.00 33.47 28.06 1uem s TRP 62 CO 0.54 -2.67 -0.11 -0.65 0.02 0.00 0.00 176.95 174.08 1uem s GLN 63 N -0.29 1.51 -0.71 4.98 -0.21 -0.32 -4.91 119.66 119.72 1uem s GLN 63 Ca 0.60 -0.35 -0.26 0.00 0.02 0.00 0.00 55.36 55.37 1uem s GLN 63 Cb -0.42 -1.28 -0.07 0.00 1.00 0.00 0.00 33.01 32.25 1uem s GLN 63 CO 0.43 0.01 2.14 0.99 -2.12 0.00 0.00 175.29 176.74 1uem s THR 64 N 0.69 3.22 -0.81 -0.19 2.01 -1.26 -0.96 115.64 118.34 1uem s THR 64 Ca -0.14 -0.05 0.26 0.00 0.31 0.00 0.00 61.69 62.07 1uem s THR 64 Cb -0.15 -3.52 0.16 0.00 0.01 0.00 0.00 72.50 69.00 1uem s THR 64 CO 0.03 -0.50 1.62 1.33 -0.69 0.00 0.00 174.62 176.41 1uem n VAL 65 N 7.96 0.30 -3.69 3.82 0.24 -0.55 -4.80 118.33 121.60 1uem n VAL 65 Ca 0.36 -0.17 -0.14 0.00 -2.04 0.00 0.00 64.34 62.34 1uem n VAL 65 Cb 0.49 -0.30 -0.08 0.00 -1.47 0.00 0.00 33.84 32.48 1uem n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uem s ALA 66 N -3.08 -1.11 0.22 2.33 0.00 -0.86 -4.81 121.76 114.44 1uem s ALA 66 Ca 0.10 0.79 0.05 0.00 0.00 0.00 0.00 51.96 52.90 1uem s ALA 66 Cb 0.15 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 1uem s ALA 66 CO 0.64 -0.28 -0.05 -0.80 0.00 0.00 0.00 175.76 175.26 1uem s ASN 67 N -0.96 2.08 -1.08 0.00 -0.87 -1.26 -1.38 114.94 111.47 1uem s ASN 67 Ca -0.10 -1.14 -0.23 0.00 -1.57 0.00 0.00 52.86 49.82 1uem s ASN 67 Cb -0.03 -0.04 0.03 0.00 -0.02 0.00 0.00 41.25 41.18 1uem s ASN 67 CO 0.05 -0.40 0.66 1.41 -2.57 0.00 0.00 177.10 176.25 1uem n HIS 68 N -0.39 -1.64 -3.81 2.20 8.25 -0.92 -4.93 115.22 113.98 1uem n HIS 68 Ca -0.07 0.34 -0.37 0.00 -0.26 0.00 0.00 57.72 57.37 1uem n HIS 68 Cb 0.63 -2.81 -0.06 0.00 1.12 0.00 0.00 29.99 28.86 1uem n HIS 68 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1uem s VAL 69 N -3.34 5.44 -0.14 1.59 1.01 0.13 -4.86 120.40 120.23 1uem s VAL 69 Ca 0.33 0.28 0.15 0.00 0.00 0.00 0.00 61.98 62.74 1uem s VAL 69 Cb -0.18 -3.45 0.40 0.00 0.00 0.00 0.00 36.38 33.16 1uem s VAL 69 CO 0.94 0.58 1.20 0.29 0.00 0.00 0.00 175.10 178.11 1uem n LYS 70 N 2.24 1.10 -3.97 2.72 4.01 -1.26 0.17 118.16 123.16 1uem n LYS 70 Ca -0.19 -2.85 -0.09 0.00 -0.51 0.00 0.00 58.31 54.67 1uem n LYS 70 Cb 0.54 -1.14 -0.10 0.00 -0.51 0.00 0.00 35.03 33.82 1uem n LYS 70 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 1uem s THR 71 N -2.25 0.13 -2.29 -0.18 -1.32 -1.26 -5.03 115.64 103.44 1uem s THR 71 Ca 0.36 -1.07 0.23 0.00 -1.21 0.00 0.00 61.69 59.99 1uem s THR 71 Cb 0.36 -0.66 0.51 0.00 -1.51 0.00 0.00 72.50 71.20 1uem s THR 71 CO -0.09 -0.59 1.65 0.35 -2.21 0.00 0.00 174.62 173.73 1uem n THR 72 N 1.11 0.12 -3.80 5.08 -2.24 -1.26 -4.76 114.28 108.53 1uem n THR 72 Ca -0.21 -0.27 -0.22 0.00 -2.27 0.00 0.00 64.05 61.09 1uem n THR 72 Cb 0.57 0.29 -0.17 0.00 -2.10 0.00 0.00 70.33 68.92 1uem n THR 72 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1uem s LEU 73 N -1.70 0.63 -0.09 3.22 2.96 -1.26 -1.62 118.68 120.81 1uem s LEU 73 Ca 0.34 -0.06 -0.08 0.00 -0.22 0.00 0.00 54.13 54.12 1uem s LEU 73 Cb 0.18 -0.38 0.02 0.00 0.50 0.00 0.00 46.19 46.52 1uem s LEU 73 CO 0.28 -0.18 0.23 -0.47 -1.32 0.00 0.00 176.35 174.89 1uem s TYR 74 N 1.84 -0.26 -0.74 5.38 6.14 -0.65 -5.01 117.35 124.05 1uem s TYR 74 Ca 0.02 0.63 -0.26 0.00 0.64 0.00 0.00 57.07 58.10 1uem s TYR 74 Cb -0.12 0.08 0.04 0.00 0.42 0.00 0.00 41.96 42.37 1uem s TYR 74 CO -0.04 -0.13 1.25 0.99 0.64 0.00 0.00 175.55 178.25 1uem s THR 75 N 0.21 3.80 0.43 4.34 2.01 -1.26 -1.05 115.64 124.12 1uem s THR 75 Ca -0.01 0.28 -0.25 0.00 0.31 0.00 0.00 61.69 62.02 1uem s THR 75 Cb -0.02 -4.90 -0.08 0.00 0.01 0.00 0.00 72.50 67.51 1uem s THR 75 CO -0.00 -1.81 1.31 -0.69 -0.69 0.00 0.00 174.62 172.73 1uem s VAL 76 N 5.51 2.55 0.39 3.82 1.01 0.26 -4.90 120.40 129.04 1uem s VAL 76 Ca 0.34 0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.83 1uem s VAL 76 Cb -0.09 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 1uem s VAL 76 CO 0.14 0.05 0.15 -0.13 0.00 0.00 0.00 175.10 175.31 1uem s ARG 77 N -2.40 1.90 -0.31 2.72 0.52 -1.26 -1.73 118.95 118.38 1uem s ARG 77 Ca 0.60 -2.15 0.00 0.00 -0.52 0.00 0.00 55.73 53.66 1uem s ARG 77 Cb -0.38 -0.45 0.00 0.00 0.52 0.00 0.00 34.95 34.64 1uem s ARG 77 CO 0.48 -0.51 0.00 0.41 0.02 0.00 0.00 175.30 175.70 1uem n GLY 78 N -0.86 0.49 0.00 -3.53 0.00 -0.73 -4.90 105.19 95.66 1uem n GLY 78 Ca -0.04 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1uem n GLY 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uem n LEU 79 N -0.39 0.00 -3.99 0.99 4.77 -0.36 -5.07 117.00 112.95 1uem n LEU 79 Ca -0.03 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.78 1uem n LEU 79 Cb 0.25 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.20 1uem n LEU 79 CO 0.05 0.00 -0.41 -0.13 -1.33 0.00 0.00 177.39 175.56 1uem s ARG 80 N 2.65 0.53 0.71 3.23 0.52 -1.26 -4.72 118.95 120.62 1uem s ARG 80 Ca 0.00 -0.28 -0.12 0.00 -0.52 0.00 0.00 55.73 54.81 1uem s ARG 80 Cb 0.00 -0.50 0.02 0.00 0.52 0.00 0.00 34.95 34.99 1uem s ARG 80 CO 0.00 0.14 1.08 -1.25 0.02 0.00 0.00 175.30 175.28 1uem s PRO 81 N -0.28 2.68 -1.66 3.54 0.04 -0.84 -3.89 135.00 134.58 1uem s PRO 81 Ca 0.02 1.12 -0.10 0.00 0.04 0.00 0.00 61.00 62.07 1uem s PRO 81 Cb -0.03 -1.95 0.10 0.00 0.04 0.00 0.00 34.50 32.66 1uem s PRO 81 CO -0.00 -1.31 0.36 0.09 0.04 0.00 0.00 177.00 176.17 1uem n ASN 82 N -3.11 -0.69 -3.84 6.66 4.13 -0.27 -4.92 115.26 113.23 1uem n ASN 82 Ca 0.09 -1.20 -0.19 0.00 1.68 0.00 0.00 54.58 54.96 1uem n ASN 82 Cb 0.53 -1.95 -0.16 0.00 -1.54 0.00 0.00 39.78 36.65 1uem n ASN 82 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1uem s THR 83 N -3.82 0.33 0.48 3.41 2.01 -1.25 -4.89 115.64 111.92 1uem s THR 83 Ca 0.37 0.02 -0.23 0.00 0.31 0.00 0.00 61.69 62.16 1uem s THR 83 Cb -0.21 -0.41 -0.07 0.00 0.01 0.00 0.00 72.50 71.82 1uem s THR 83 CO 0.98 0.19 1.27 -0.63 -0.69 0.00 0.00 174.62 175.75 1uem s ILE 84 N 1.14 2.58 0.10 1.82 -1.09 -1.26 -2.02 121.20 122.47 1uem s ILE 84 Ca -0.08 0.45 0.03 0.00 -2.23 0.00 0.00 60.65 58.82 1uem s ILE 84 Cb -0.14 -3.24 -0.04 0.00 -1.58 0.00 0.00 42.46 37.47 1uem s ILE 84 CO -0.02 0.01 -0.08 -0.31 -1.23 0.00 0.00 174.94 173.32 1uem s TYR 85 N -1.39 0.97 0.29 3.97 1.51 -0.21 -4.62 117.35 117.88 1uem s TYR 85 Ca 0.65 -0.80 0.08 0.00 -1.01 0.00 0.00 57.07 55.99 1uem s TYR 85 Cb -0.35 -0.54 -0.03 0.00 -0.11 0.00 0.00 41.96 40.92 1uem s TYR 85 CO 0.43 -0.08 0.20 -0.51 -1.11 0.00 0.00 175.55 174.49 1uem s LEU 86 N -2.83 3.62 0.04 -1.29 1.43 -0.06 -0.99 118.68 118.60 1uem s LEU 86 Ca 0.10 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 1uem s LEU 86 Cb 0.02 -2.18 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 1uem s LEU 86 CO -0.03 -0.17 -0.08 -0.36 0.23 0.00 0.00 176.35 175.95 1uem s PHE 87 N -2.24 0.70 0.27 0.29 0.08 -1.26 -2.50 117.98 113.31 1uem s PHE 87 Ca 0.36 -0.44 0.03 0.00 0.12 0.00 0.00 56.93 57.00 1uem s PHE 87 Cb -0.06 -0.42 -0.06 0.00 -0.57 0.00 0.00 43.02 41.91 1uem s PHE 87 CO 0.25 -0.06 0.04 -1.64 -0.10 0.00 0.00 175.22 173.70 1uem s MET 88 N -1.38 1.46 0.18 0.44 -1.94 0.01 -1.50 119.30 116.57 1uem s MET 88 Ca -0.08 -1.77 0.09 0.00 -1.71 0.00 0.00 55.69 52.23 1uem s MET 88 Cb -0.09 -0.62 -0.04 0.00 2.01 0.00 0.00 34.83 36.09 1uem s MET 88 CO 0.00 -0.17 -0.12 0.08 -0.01 0.00 0.00 175.02 174.81 1uem s VAL 89 N -3.45 3.05 0.00 -6.03 1.01 -1.26 -1.57 120.40 112.15 1uem s VAL 89 Ca 0.33 -1.72 0.03 0.00 0.00 0.00 0.00 61.98 60.62 1uem s VAL 89 Cb 0.07 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 1uem s VAL 89 CO 0.12 -0.11 -0.10 -0.13 0.00 0.00 0.00 175.10 174.87 1uem s ARG 90 N -2.81 0.80 0.41 2.72 0.52 -0.58 -2.23 118.95 117.78 1uem s ARG 90 Ca 0.24 -0.44 -0.12 0.00 -0.52 0.00 0.00 55.73 54.89 1uem s ARG 90 Cb -0.09 -0.77 -0.07 0.00 0.52 0.00 0.00 34.95 34.54 1uem s ARG 90 CO 0.14 0.21 0.80 0.00 0.02 0.00 0.00 175.30 176.47 1uem s ALA 91 N -0.39 3.29 0.12 2.13 0.00 -1.26 -0.23 121.76 125.42 1uem s ALA 91 Ca 0.03 -0.09 0.08 0.00 0.00 0.00 0.00 51.96 51.98 1uem s ALA 91 Cb -0.05 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 1uem s ALA 91 CO -0.00 0.02 -0.12 0.42 0.00 0.00 0.00 175.76 176.08 1uem s ILE 92 N -2.34 3.18 0.09 0.00 1.01 0.57 -1.27 121.20 122.43 1uem s ILE 92 Ca 0.53 -1.42 -0.26 0.00 0.00 0.00 0.00 60.65 59.51 1uem s ILE 92 Cb -0.10 -2.50 0.08 0.00 0.01 0.00 0.00 42.46 39.95 1uem s ILE 92 CO 0.28 0.06 0.74 0.21 0.00 0.00 0.00 174.94 176.23 1uem s ASN 93 N -2.32 -0.47 0.00 3.58 2.47 -0.82 -0.58 114.94 116.81 1uem s ASN 93 Ca 0.21 -0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.48 1uem s ASN 93 Cb -0.10 0.50 0.00 0.00 -1.45 0.00 0.00 41.25 40.20 1uem s ASN 93 CO 0.13 -0.81 0.85 -0.81 -3.72 0.00 0.00 177.10 172.73 1uem n PRO 94 N -0.32 0.88 -0.04 0.43 -0.04 -1.26 -1.72 135.00 132.93 1uem n PRO 94 Ca -0.13 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.38 1uem n PRO 94 Cb 0.63 -1.03 0.07 0.00 -0.04 0.00 0.00 33.50 33.14 1uem n PRO 94 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1uem n GLN 95 N -0.46 2.05 0.00 0.54 1.13 -1.26 -5.10 117.38 114.27 1uem n GLN 95 Ca 0.00 -2.03 0.00 0.00 -1.94 0.00 0.00 57.00 53.03 1uem n GLN 95 Cb 0.01 -1.24 0.00 0.00 0.11 0.00 0.00 30.24 29.13 1uem n GLN 95 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1uem n GLY 96 N -0.96 1.40 3.90 1.08 0.00 -0.70 -4.95 105.19 104.95 1uem n GLY 96 Ca 0.08 -2.25 -0.29 0.00 0.00 0.00 0.00 46.02 43.57 1uem n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uem s LEU 97 N 0.00 2.93 0.90 0.99 1.02 -1.26 -1.94 118.68 121.32 1uem s LEU 97 Ca 0.00 0.94 -0.12 0.00 0.02 0.00 0.00 54.13 54.97 1uem s LEU 97 Cb 0.00 -3.70 0.13 0.00 0.02 0.00 0.00 46.19 42.64 1uem s LEU 97 CO 0.00 -1.36 1.10 -0.94 0.02 0.00 0.00 176.35 175.18 1uem s SER 98 N -4.38 3.57 0.53 2.29 1.04 -0.40 -4.93 113.70 111.42 1uem s SER 98 Ca 0.58 1.25 -0.18 0.00 0.48 0.00 0.00 55.95 58.07 1uem s SER 98 Cb -0.11 -1.91 -0.13 0.00 0.10 0.00 0.00 66.02 63.97 1uem s SER 98 CO 0.49 -2.54 0.12 0.47 0.98 0.00 0.00 173.24 172.76 1uem n ASP 99 N -3.80 -2.66 -4.76 7.02 9.92 -1.26 -4.74 116.55 116.26 1uem n ASP 99 Ca 0.06 0.68 -0.36 0.00 -0.53 0.00 0.00 54.79 54.65 1uem n ASP 99 Cb 0.57 -0.97 0.02 0.00 -0.64 0.00 0.00 41.12 40.09 1uem n ASP 99 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1uem s PRO 100 N -1.43 3.20 0.99 -0.24 0.04 -1.26 -4.51 135.00 131.79 1uem s PRO 100 Ca 0.61 1.74 -0.11 0.00 0.04 0.00 0.00 61.00 63.28 1uem s PRO 100 Cb -0.48 -2.00 0.18 0.00 0.04 0.00 0.00 34.50 32.24 1uem s PRO 100 CO 0.62 -1.00 1.09 -1.54 0.04 0.00 0.00 177.00 176.20 1uem s SER 101 N -1.63 2.46 0.63 6.66 1.04 -0.95 -4.84 113.70 117.06 1uem s SER 101 Ca 0.74 1.80 -0.17 0.00 0.48 0.00 0.00 55.95 58.80 1uem s SER 101 Cb -0.28 -2.39 -0.05 0.00 0.10 0.00 0.00 66.02 63.40 1uem s SER 101 CO 0.31 -3.33 0.72 -2.65 0.98 0.00 0.00 173.24 169.27 1uem n PRO 102 N -4.36 0.58 -2.05 4.02 -0.02 -1.26 -4.76 135.00 127.15 1uem n PRO 102 Ca 0.08 0.24 -0.35 0.00 -2.02 0.00 0.00 63.50 61.44 1uem n PRO 102 Cb 0.53 -1.94 0.02 0.00 -0.02 0.00 0.00 33.50 32.10 1uem n PRO 102 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1uem s MET 103 N -2.60 3.09 0.00 -0.52 -1.94 -1.26 -4.33 119.30 111.73 1uem s MET 103 Ca 0.71 1.62 0.01 0.00 -1.71 0.00 0.00 55.69 56.32 1uem s MET 103 Cb -0.40 -1.97 0.04 0.00 2.01 0.00 0.00 34.83 34.51 1uem s MET 103 CO 0.52 -1.07 0.91 -1.13 -0.01 0.00 0.00 175.02 174.24 1uem n SER 104 N -1.68 0.00 -0.82 3.03 3.41 -0.56 -4.75 113.62 112.25 1uem n SER 104 Ca 0.12 0.38 0.07 0.00 -0.26 0.00 0.00 58.87 59.18 1uem n SER 104 Cb 0.51 -0.38 -0.04 0.00 -0.26 0.00 0.00 64.21 64.04 1uem n SER 104 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1uem n ASP 105 N -1.38 -4.45 -4.55 4.04 2.03 -1.26 -4.81 116.55 106.16 1uem n ASP 105 Ca 0.00 0.88 -0.40 0.00 0.52 0.00 0.00 54.79 55.80 1uem n ASP 105 Cb 0.01 -2.66 -0.03 0.00 -0.72 0.00 0.00 41.12 37.72 1uem n ASP 105 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1uem s PRO 106 N -4.03 2.92 -0.13 -0.67 0.04 -1.26 -4.61 135.00 127.25 1uem s PRO 106 Ca 0.00 0.32 -0.17 0.00 0.04 0.00 0.00 61.00 61.19 1uem s PRO 106 Cb 0.00 -4.28 -0.04 0.00 0.04 0.00 0.00 34.50 30.22 1uem s PRO 106 CO 0.00 -2.42 0.44 0.14 0.04 0.00 0.00 177.00 175.20 1uem s VAL 107 N 7.52 5.21 0.59 -0.36 -7.23 -0.17 -4.86 120.40 121.11 1uem s VAL 107 Ca 0.55 0.86 -0.13 0.00 -1.81 0.00 0.00 61.98 61.45 1uem s VAL 107 Cb -0.11 -3.78 -0.05 0.00 0.56 0.00 0.00 36.38 33.00 1uem s VAL 107 CO 0.20 0.33 1.02 -0.60 -0.31 0.00 0.00 175.10 175.74 1uem s ARG 108 N 0.65 3.65 0.57 4.82 3.52 -1.26 -1.04 118.95 129.86 1uem s ARG 108 Ca 0.24 0.84 -0.01 0.00 -0.13 0.00 0.00 55.73 56.67 1uem s ARG 108 Cb -0.15 -2.09 0.03 0.00 -1.56 0.00 0.00 34.95 31.19 1uem s ARG 108 CO 0.09 -0.53 0.82 0.95 -0.81 0.00 0.00 175.30 175.82 1uem s THR 109 N -2.98 2.84 1.14 4.11 -4.23 -0.86 -4.94 115.64 110.73 1uem s THR 109 Ca 0.57 -0.51 -0.18 0.00 -1.18 0.00 0.00 61.69 60.39 1uem s THR 109 Cb -0.11 -3.10 0.26 0.00 1.34 0.00 0.00 72.50 70.89 1uem s THR 109 CO 0.47 -0.08 1.14 -1.10 -0.54 0.00 0.00 174.62 174.51 1uem s GLN 110 N -4.85 -0.74 0.50 3.99 -0.21 -1.26 -3.89 119.66 113.20 1uem s GLN 110 Ca 0.56 -0.08 -0.19 0.00 0.02 0.00 0.00 55.36 55.68 1uem s GLN 110 Cb -0.10 -1.65 -0.08 0.00 1.00 0.00 0.00 33.01 32.17 1uem s GLN 110 CO 0.40 -3.39 1.01 0.34 -2.12 0.00 0.00 175.29 171.53 1uem s ASP 111 N -4.04 6.47 -0.02 5.90 2.15 -1.26 -1.11 116.67 124.76 1uem s ASP 111 Ca 0.71 1.77 0.15 0.00 0.43 0.00 0.00 52.55 55.61 1uem s ASP 111 Cb -0.09 -2.54 0.47 0.00 -0.30 0.00 0.00 42.92 40.46 1uem s ASP 111 CO 0.56 -0.69 1.38 -0.24 -0.17 0.00 0.00 175.17 176.01 1uem n SER 112 N -1.19 2.97 -4.64 -0.34 2.88 -1.26 -4.62 113.62 107.41 1uem n SER 112 Ca 0.08 -2.07 -0.43 0.00 -1.33 0.00 0.00 58.87 55.12 1uem n SER 112 Cb 0.53 -0.38 -0.02 0.00 -0.75 0.00 0.00 64.21 63.59 1uem n SER 112 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uem s GLY 113 N -0.95 1.46 0.87 0.46 0.00 -1.26 -5.05 107.32 102.84 1uem s GLY 113 Ca 0.35 0.32 -0.12 0.00 0.00 0.00 0.00 44.72 45.28 1uem s GLY 113 CO 0.22 2.64 1.11 2.56 0.00 0.00 0.00 173.10 179.63 1uem s PRO 114 N 4.01 1.45 0.00 2.90 0.04 -1.26 -5.10 135.00 137.03 1uem s PRO 114 Ca 0.59 0.58 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1uem s PRO 114 Cb -0.20 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1uem s PRO 114 CO 0.21 -2.05 0.00 0.45 0.04 0.00 0.00 177.00 175.66 1uem n SER 115 N -3.71 0.00 -3.58 6.66 2.88 -1.26 -5.17 113.62 109.44 1uem n SER 115 Ca 0.07 -0.02 -0.15 0.00 -1.33 0.00 0.00 58.87 57.43 1uem n SER 115 Cb 0.57 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.90 1uem n SER 115 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1uem s SER 116 N 1.46 0.72 0.00 -3.46 1.04 -1.26 -5.35 113.70 106.85 1uem s SER 116 Ca 0.00 0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1uem s SER 116 Cb 0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1uem s SER 116 CO 0.00 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.56