#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uem s SER 2 N 0.00 -0.45 0.00 1.61 1.04 -1.26 -5.19 113.70 109.45 1uem s SER 2 Ca 0.00 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.39 1uem s SER 2 Cb 0.00 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1uem s SER 2 CO 0.00 -0.88 0.00 -1.54 0.98 0.00 0.00 173.24 171.80 1uem n SER 3 N -0.17 0.00 -0.47 7.02 3.41 -1.26 -5.05 113.62 117.11 1uem n SER 3 Ca -0.17 -1.00 -0.06 0.00 -0.26 0.00 0.00 58.87 57.38 1uem n SER 3 Cb 0.64 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.56 1uem n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uem n GLY 4 N 0.00 0.79 3.24 5.00 0.00 -1.26 -4.96 105.19 108.00 1uem n GLY 4 Ca 0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 1uem n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uem s SER 5 N -2.49 0.65 -0.72 1.61 0.15 -1.26 -5.10 113.70 106.53 1uem s SER 5 Ca 0.00 -1.35 -0.27 0.00 0.70 0.00 0.00 55.95 55.03 1uem s SER 5 Cb 0.00 0.27 0.02 0.00 -1.71 0.00 0.00 66.02 64.60 1uem s SER 5 CO 0.00 -0.77 1.37 -0.55 1.20 0.00 0.00 173.24 174.49 1uem s SER 6 N -3.21 6.03 -0.44 5.45 0.15 -1.26 -4.85 113.70 115.57 1uem s SER 6 Ca 0.36 -0.33 0.03 0.00 0.70 0.00 0.00 55.95 56.71 1uem s SER 6 Cb 0.07 -2.56 0.19 0.00 -1.71 0.00 0.00 66.02 62.02 1uem s SER 6 CO 0.11 -1.92 0.81 -0.83 1.20 0.00 0.00 173.24 172.61 1uem s GLY 7 N 4.39 -1.42 0.14 9.45 0.00 -1.26 -5.14 107.32 113.48 1uem s GLY 7 Ca 0.40 0.10 0.06 0.00 0.00 0.00 0.00 44.72 45.29 1uem s GLY 7 CO 0.16 3.85 -0.15 -1.59 0.00 0.00 0.00 173.10 175.38 1uem s LYS 8 N 1.24 1.11 -0.37 2.90 0.00 -1.26 -5.12 119.74 118.24 1uem s LYS 8 Ca 0.24 -1.33 0.04 0.00 0.00 0.00 0.00 55.97 54.92 1uem s LYS 8 Cb 0.02 -0.98 0.10 0.00 0.00 0.00 0.00 37.83 36.97 1uem s LYS 8 CO -0.08 0.18 0.08 1.21 0.00 0.00 0.00 175.35 176.75 1uem s ASN 9 N -2.65 4.68 0.86 0.03 2.47 -1.26 -4.98 114.94 114.09 1uem s ASN 9 Ca 0.12 -2.28 0.00 0.00 0.42 0.00 0.00 52.86 51.12 1uem s ASN 9 Cb -0.04 -1.61 0.00 0.00 -1.45 0.00 0.00 41.25 38.15 1uem s ASN 9 CO 0.04 -0.36 0.00 0.00 -3.72 0.00 0.00 177.10 173.06 1uem n TYR 10 N 4.08 -1.73 -3.59 0.43 9.36 -1.26 -4.73 117.16 119.72 1uem n TYR 10 Ca 0.04 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.94 1uem n TYR 10 Cb 0.40 0.25 -0.05 0.00 -0.63 0.00 0.00 39.34 39.31 1uem n TYR 10 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1uem s ASP 11 N -4.00 6.56 -0.03 2.98 1.01 -1.26 -5.00 116.67 116.92 1uem s ASP 11 Ca 0.00 0.71 0.01 0.00 0.71 0.00 0.00 52.55 53.98 1uem s ASP 11 Cb 0.00 -2.14 0.07 0.00 1.01 0.00 0.00 42.92 41.86 1uem s ASP 11 CO 0.00 0.05 0.90 0.18 0.21 0.00 0.00 175.17 176.51 1uem n LEU 12 N 0.23 2.60 0.00 1.23 4.77 -1.26 -4.79 117.00 119.78 1uem n LEU 12 Ca -0.03 -1.31 0.00 0.00 -0.03 0.00 0.00 56.01 54.64 1uem n LEU 12 Cb 0.52 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1uem n LEU 12 CO 0.46 0.45 0.00 -0.24 -1.33 0.00 0.00 177.39 176.73 1uem n SER 13 N 0.24 0.00 0.03 -1.43 2.88 -1.26 -4.95 113.62 109.13 1uem n SER 13 Ca 0.04 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.39 1uem n SER 13 Cb 0.50 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.84 1uem n SER 13 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1uem h ASP 14 N 0.00 0.65 -4.34 -3.46 3.32 -1.94 -1.83 116.42 108.83 1uem h ASP 14 Ca 0.00 -0.79 -0.51 0.00 0.02 0.00 0.00 57.03 55.75 1uem h ASP 14 Cb 0.00 -0.20 0.06 0.00 0.22 0.00 0.00 39.33 39.41 1uem h ASP 14 CO 0.00 1.36 0.41 -0.76 -1.72 0.00 0.00 179.24 178.53 1uem s LEU 15 N -8.17 3.27 0.49 1.55 1.43 -1.26 -2.02 118.68 113.97 1uem s LEU 15 Ca -0.12 1.46 -0.20 0.00 -1.03 0.00 0.00 54.13 54.24 1uem s LEU 15 Cb 0.04 -4.48 -0.08 0.00 0.03 0.00 0.00 46.19 41.70 1uem s LEU 15 CO 0.86 -0.89 1.04 -2.16 0.23 0.00 0.00 176.35 175.42 1uem s PRO 16 N -5.02 3.76 0.73 1.29 0.04 -1.26 -3.43 135.00 131.12 1uem s PRO 16 Ca 0.56 1.34 -0.11 0.00 0.04 0.00 0.00 61.00 62.83 1uem s PRO 16 Cb -0.11 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.37 1uem s PRO 16 CO 0.51 -0.46 1.08 0.20 0.04 0.00 0.00 177.00 178.37 1uem s GLY 17 N -2.06 1.71 0.03 0.56 0.00 0.38 -4.44 107.32 103.50 1uem s GLY 17 Ca 0.67 0.21 -0.30 0.00 0.00 0.00 0.00 44.72 45.29 1uem s GLY 17 CO 0.21 0.54 1.57 2.56 0.00 0.00 0.00 173.10 177.97 1uem s PRO 18 N -4.90 4.22 1.04 2.90 0.04 -1.26 -4.60 135.00 132.45 1uem s PRO 18 Ca 0.60 2.18 -0.12 0.00 0.04 0.00 0.00 61.00 63.71 1uem s PRO 18 Cb -0.16 -3.65 0.22 0.00 0.04 0.00 0.00 34.50 30.95 1uem s PRO 18 CO 0.54 -0.70 1.08 -1.25 0.04 0.00 0.00 177.00 176.71 1uem s PRO 19 N 2.77 0.04 0.81 0.56 0.04 -1.26 -4.54 135.00 133.43 1uem s PRO 19 Ca 0.70 1.05 -0.11 0.00 0.04 0.00 0.00 61.00 62.68 1uem s PRO 19 Cb -0.36 -1.65 0.08 0.00 0.04 0.00 0.00 34.50 32.61 1uem s PRO 19 CO 0.30 -3.14 1.09 -1.12 0.04 0.00 0.00 177.00 174.17 1uem s SER 20 N -2.74 4.18 -0.01 6.66 0.01 -0.92 -4.32 113.70 116.56 1uem s SER 20 Ca 0.67 1.66 -0.33 0.00 1.31 0.00 0.00 55.95 59.25 1uem s SER 20 Cb -0.23 -2.36 -0.11 0.00 0.21 0.00 0.00 66.02 63.52 1uem s SER 20 CO 0.61 -2.22 1.85 1.17 0.41 0.00 0.00 173.24 175.07 1uem n LYS 21 N -3.63 2.35 -1.86 12.44 4.81 -1.26 -4.54 118.16 126.48 1uem n LYS 21 Ca 0.08 0.86 -0.40 0.00 -0.87 0.00 0.00 58.31 57.98 1uem n LYS 21 Cb 0.54 -2.72 0.01 0.00 0.02 0.00 0.00 35.03 32.88 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 3.59 3.76 -0.08 1.64 0.04 -1.26 -4.77 135.00 137.92 1uem s PRO 22 Ca 0.89 2.36 0.04 0.00 0.04 0.00 0.00 61.00 64.33 1uem s PRO 22 Cb -0.63 -2.68 -0.00 0.00 0.04 0.00 0.00 34.50 31.23 1uem s PRO 22 CO 0.47 -0.74 -0.21 -0.65 0.04 0.00 0.00 177.00 175.91 1uem s GLN 23 N -2.40 2.52 0.27 4.56 -0.21 0.65 -4.57 119.66 120.48 1uem s GLN 23 Ca 0.60 -0.76 -0.28 0.00 0.02 0.00 0.00 55.36 54.94 1uem s GLN 23 Cb -0.42 -2.00 -0.09 0.00 1.00 0.00 0.00 33.01 31.49 1uem s GLN 23 CO 0.54 0.21 0.93 0.14 -2.12 0.00 0.00 175.29 174.99 1uem s VAL 24 N 0.24 4.15 0.00 1.09 -7.23 -1.26 -0.80 120.40 116.59 1uem s VAL 24 Ca -0.13 1.94 0.00 0.00 -1.81 0.00 0.00 61.98 61.99 1uem s VAL 24 Cb -0.16 -4.17 0.00 0.00 0.56 0.00 0.00 36.38 32.61 1uem s VAL 24 CO 0.06 0.34 0.00 0.35 -0.31 0.00 0.00 175.10 175.54 1uem n THR 25 N 1.07 0.00 -4.72 5.32 -2.24 -0.88 -4.97 114.28 107.86 1uem n THR 25 Ca -0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 1uem n THR 25 Cb 0.48 -0.24 -0.14 0.00 -2.10 0.00 0.00 70.33 68.33 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 -3.61 2.84 0.02 3.42 -1.08 -1.25 -4.98 116.67 112.04 1uem s ASP 26 Ca 0.00 -0.58 -0.02 0.00 -0.52 0.00 0.00 52.55 51.43 1uem s ASP 26 Cb 0.00 -0.24 -0.02 0.00 -1.46 0.00 0.00 42.92 41.21 1uem s ASP 26 CO 0.00 0.20 0.02 0.54 0.52 0.00 0.00 175.17 176.45 1uem s VAL 27 N -0.84 0.12 0.00 1.11 0.11 -1.26 -0.36 120.40 119.27 1uem s VAL 27 Ca 0.10 -0.96 0.00 0.00 -2.93 0.00 0.00 61.98 58.18 1uem s VAL 27 Cb -0.09 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.28 1uem s VAL 27 CO 0.02 -0.53 0.00 0.35 -3.33 0.00 0.00 175.10 171.61 1uem n THR 28 N 1.35 0.00 0.00 5.04 -2.24 -0.38 -4.86 114.28 113.19 1uem n THR 28 Ca -0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1uem n THR 28 Cb 0.56 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 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 -2.43 0.00 0.00 -0.78 2.85 -1.26 -4.57 118.16 111.97 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 0.37 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.75 1uem n LYS 29 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1uem n ASN 30 N 0.00 0.03 -4.09 -5.58 5.03 -1.26 -2.14 115.26 107.25 1uem n ASN 30 Ca 0.00 -0.52 -0.09 0.00 0.87 0.00 0.00 54.58 54.83 1uem n ASN 30 Cb 0.00 0.03 -0.10 0.00 -1.02 0.00 0.00 39.78 38.68 1uem n ASN 30 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1uem s SER 31 N -0.03 0.71 -0.21 6.41 0.01 -1.26 -0.93 113.70 118.40 1uem s SER 31 Ca 0.00 -0.83 -0.11 0.00 1.31 0.00 0.00 55.95 56.32 1uem s SER 31 Cb 0.00 0.12 0.07 0.00 0.21 0.00 0.00 66.02 66.42 1uem s SER 31 CO 0.00 -0.44 0.50 0.54 0.41 0.00 0.00 173.24 174.26 1uem s VAL 32 N -2.95 -0.12 0.16 3.43 0.11 -1.05 -1.25 120.40 118.74 1uem s VAL 32 Ca 0.01 0.07 -0.30 0.00 -2.93 0.00 0.00 61.98 58.84 1uem s VAL 32 Cb 0.01 -0.74 -0.07 0.00 -1.53 0.00 0.00 36.38 34.04 1uem s VAL 32 CO -0.05 0.03 0.93 -0.89 -3.33 0.00 0.00 175.10 171.79 1uem s THR 33 N 1.65 4.33 0.06 5.04 2.01 0.51 -0.68 115.64 128.56 1uem s THR 33 Ca -0.09 2.04 0.07 0.00 0.31 0.00 0.00 61.69 64.02 1uem s THR 33 Cb -0.08 -4.31 -0.03 0.00 0.01 0.00 0.00 72.50 68.10 1uem s THR 33 CO -0.15 0.40 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.23 1uem s LEU 34 N -0.54 2.20 -0.08 4.42 1.43 -0.52 -2.06 118.68 123.53 1uem s LEU 34 Ca 0.44 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.95 1uem s LEU 34 Cb -0.24 -0.88 0.04 0.00 0.03 0.00 0.00 46.19 45.14 1uem s LEU 34 CO 0.30 0.11 0.06 -0.44 0.23 0.00 0.00 176.35 176.61 1uem s SER 35 N -1.36 1.55 0.05 2.29 0.01 0.02 -2.22 113.70 114.03 1uem s SER 35 Ca 0.06 -0.14 -0.00 0.00 1.31 0.00 0.00 55.95 57.17 1uem s SER 35 Cb -0.09 -0.20 -0.03 0.00 0.21 0.00 0.00 66.02 65.91 1uem s SER 35 CO 0.02 -0.28 -0.04 -1.66 0.41 0.00 0.00 173.24 171.70 1uem s TRP 36 N 2.14 0.53 -0.03 2.43 -2.14 -1.13 -0.25 118.94 120.50 1uem s TRP 36 Ca 0.04 -0.88 -0.03 0.00 2.66 0.00 0.00 56.10 57.90 1uem s TRP 36 Cb -0.13 -0.36 -0.04 0.00 -3.10 0.00 0.00 33.47 29.83 1uem s TRP 36 CO -0.05 -0.28 0.14 -0.65 -2.66 0.00 0.00 176.95 173.46 1uem s GLN 37 N -3.15 3.32 -0.28 3.25 -0.21 -1.26 -4.83 119.66 116.49 1uem s GLN 37 Ca 0.01 -0.34 -0.29 0.00 0.02 0.00 0.00 55.36 54.76 1uem s GLN 37 Cb 0.02 -3.03 0.01 0.00 1.00 0.00 0.00 33.01 31.01 1uem s GLN 37 CO -0.06 0.68 1.08 -1.25 -2.12 0.00 0.00 175.29 173.62 1uem s PRO 38 N -1.72 4.13 1.16 2.91 0.04 -1.26 -2.17 135.00 138.09 1uem s PRO 38 Ca 0.24 1.20 -0.17 0.00 0.04 0.00 0.00 61.00 62.30 1uem s PRO 38 Cb -0.12 -3.71 0.27 0.00 0.04 0.00 0.00 34.50 30.97 1uem s PRO 38 CO 0.15 -0.81 1.08 0.20 0.04 0.00 0.00 177.00 177.66 1uem s GLY 39 N 1.56 1.56 0.73 0.56 0.00 -1.26 -4.95 107.32 105.52 1uem s GLY 39 Ca 0.46 -0.72 -0.15 0.00 0.00 0.00 0.00 44.72 44.31 1uem s GLY 39 CO 0.13 0.09 1.22 -1.59 0.00 0.00 0.00 173.10 172.95 1uem s THR 40 N -2.90 2.21 0.40 0.90 2.01 -1.26 -4.66 115.64 112.34 1uem s THR 40 Ca 0.69 0.10 -0.07 0.00 0.31 0.00 0.00 61.69 62.73 1uem s THR 40 Cb -0.14 -2.72 0.10 0.00 0.01 0.00 0.00 72.50 69.75 1uem s THR 40 CO 0.57 -0.05 0.36 -0.81 -0.69 0.00 0.00 174.62 174.00 1uem n PRO 41 N -2.67 -1.70 -0.17 4.92 -0.04 -1.26 -0.47 135.00 133.60 1uem n PRO 41 Ca 0.14 -0.58 0.00 0.00 -0.04 0.00 0.00 63.50 63.02 1uem n PRO 41 Cb 0.50 -0.54 0.00 0.00 -0.04 0.00 0.00 33.50 33.42 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 0.11 5.81 0.16 0.55 0.00 -1.22 -4.22 105.19 106.38 1uem n GLY 42 Ca 0.05 -1.62 -0.05 0.00 0.00 0.00 0.00 46.02 44.40 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 0.09 0.62 -2.97 2.61 2.02 -1.30 -3.44 112.91 110.54 1uem h THR 43 Ca 0.00 0.00 -0.47 0.00 0.77 0.00 0.00 66.41 66.71 1uem h THR 43 Cb 0.00 0.62 0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1uem h THR 43 CO 0.00 0.00 -0.09 -0.76 0.37 0.00 0.00 175.52 175.04 1uem s LEU 44 N -10.60 3.79 0.38 2.58 1.43 -0.86 -5.08 118.68 110.32 1uem s LEU 44 Ca -0.14 0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 53.34 1uem s LEU 44 Cb 0.14 -3.39 -0.07 0.00 0.03 0.00 0.00 46.19 42.90 1uem s LEU 44 CO 0.71 -0.51 0.76 -2.16 0.23 0.00 0.00 176.35 175.38 1uem s PRO 45 N -4.50 3.86 0.71 1.29 0.04 -1.26 -4.71 135.00 130.43 1uem s PRO 45 Ca 0.45 0.54 -0.13 0.00 0.04 0.00 0.00 61.00 61.90 1uem s PRO 45 Cb -0.10 -2.40 0.03 0.00 0.04 0.00 0.00 34.50 32.07 1uem s PRO 45 CO 0.39 0.03 1.11 0.00 0.04 0.00 0.00 177.00 178.56 1uem s ALA 46 N -2.24 2.34 -0.15 8.56 0.00 -1.26 -4.26 121.76 124.75 1uem s ALA 46 Ca 0.52 0.47 -0.11 0.00 0.00 0.00 0.00 51.96 52.84 1uem s ALA 46 Cb -0.10 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1uem s ALA 46 CO 0.27 -1.54 -0.21 0.43 0.00 0.00 0.00 175.76 174.70 1uem n SER 47 N -2.89 1.83 -1.08 0.00 7.64 0.56 -4.90 113.62 114.78 1uem n SER 47 Ca 0.10 0.58 -0.00 0.00 1.01 0.00 0.00 58.87 60.55 1uem n SER 47 Cb 0.52 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1uem n SER 47 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uem n ALA 48 N -3.80 -0.08 -2.58 -0.43 0.00 -1.16 -4.90 120.51 107.56 1uem n ALA 48 Ca -0.09 -0.06 -0.23 0.00 0.00 0.00 0.00 53.44 53.06 1uem n ALA 48 Cb 0.32 0.05 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 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 -8.57 2.72 0.15 0.00 2.02 0.67 -0.10 117.35 114.24 1uem s TYR 49 Ca 0.01 -0.32 0.09 0.00 -0.37 0.00 0.00 57.07 56.48 1uem s TYR 49 Cb -0.00 -1.48 -0.04 0.00 -0.40 0.00 0.00 41.96 40.04 1uem s TYR 49 CO 0.01 0.45 -0.16 0.42 -1.57 0.00 0.00 175.55 174.69 1uem s ILE 50 N -2.38 2.88 -0.22 2.71 1.01 0.53 -0.50 121.20 125.24 1uem s ILE 50 Ca 0.35 -1.64 -0.02 0.00 0.00 0.00 0.00 60.65 59.35 1uem s ILE 50 Cb -0.04 -2.37 0.07 0.00 0.01 0.00 0.00 42.46 40.13 1uem s ILE 50 CO 0.22 -0.00 0.03 -0.63 0.00 0.00 0.00 174.94 174.55 1uem s ILE 51 N -1.41 0.79 0.22 2.92 1.01 -0.13 -1.02 121.20 123.58 1uem s ILE 51 Ca 0.21 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 60.07 1uem s ILE 51 Cb -0.10 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 1uem s ILE 51 CO 0.12 -0.26 0.35 -1.61 0.00 0.00 0.00 174.94 173.53 1uem s GLU 52 N 1.72 3.44 0.02 2.79 2.02 0.11 -1.28 118.70 127.53 1uem s GLU 52 Ca -0.00 -0.72 -0.01 0.00 0.02 0.00 0.00 54.97 54.26 1uem s GLU 52 Cb -0.17 -2.90 -0.02 0.00 0.10 0.00 0.00 34.13 31.13 1uem s GLU 52 CO -0.10 0.44 -0.01 0.00 0.02 0.00 0.00 175.26 175.61 1uem s ALA 53 N -1.94 0.10 0.09 5.21 0.00 0.18 -1.07 121.76 124.33 1uem s ALA 53 Ca 0.34 -0.59 0.07 0.00 0.00 0.00 0.00 51.96 51.77 1uem s ALA 53 Cb -0.09 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 1uem s ALA 53 CO 0.29 -0.18 -0.17 0.12 0.00 0.00 0.00 175.76 175.81 1uem s PHE 54 N -1.67 1.49 -0.25 0.00 2.19 -0.99 -0.31 117.98 118.44 1uem s PHE 54 Ca -0.14 -0.44 -0.07 0.00 0.33 0.00 0.00 56.93 56.61 1uem s PHE 54 Cb -0.08 -0.82 0.12 0.00 -1.31 0.00 0.00 43.02 40.92 1uem s PHE 54 CO -0.02 0.13 0.52 -1.54 1.83 0.00 0.00 175.22 176.14 1uem s SER 55 N -1.86 -0.64 0.25 6.13 1.04 -1.26 -0.93 113.70 116.43 1uem s SER 55 Ca 0.02 1.11 -0.02 0.00 0.48 0.00 0.00 55.95 57.55 1uem s SER 55 Cb -0.10 1.76 0.29 0.00 0.10 0.00 0.00 66.02 68.07 1uem s SER 55 CO 0.03 -0.24 1.69 -0.61 0.98 0.00 0.00 173.24 175.09 1uem h GLN 56 N 8.09 0.68 0.00 4.02 4.15 -1.83 -1.99 115.11 128.23 1uem h GLN 56 Ca -0.18 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.00 1uem h GLN 56 Cb 1.12 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.76 1uem h GLN 56 CO 0.14 0.82 0.00 0.45 -1.93 0.00 0.00 178.83 178.32 1uem n SER 57 N -4.14 0.00 0.01 -0.69 2.88 -1.26 -4.21 113.62 106.21 1uem n SER 57 Ca 0.00 -0.95 0.00 0.00 -1.33 0.00 0.00 58.87 56.59 1uem n SER 57 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1uem n SER 57 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1uem n VAL 58 N -0.70 0.05 -3.65 2.46 0.31 -0.81 -5.09 118.33 110.90 1uem n VAL 58 Ca 0.06 0.02 -0.03 0.00 -0.01 0.00 0.00 64.34 64.38 1uem n VAL 58 Cb 0.03 -0.66 -0.05 0.00 -0.91 0.00 0.00 33.84 32.25 1uem n VAL 58 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1uem s SER 59 N -4.69 -1.00 -1.15 4.52 0.01 -0.87 -5.09 113.70 105.44 1uem s SER 59 Ca 0.00 1.49 -0.22 0.00 1.31 0.00 0.00 55.95 58.52 1uem s SER 59 Cb 0.00 2.08 -0.04 0.00 0.21 0.00 0.00 66.02 68.26 1uem s SER 59 CO 0.00 -0.22 1.87 0.21 0.41 0.00 0.00 173.24 175.51 1uem s ASN 60 N 2.73 5.45 -0.09 2.44 2.47 -1.26 -4.26 114.94 122.43 1uem s ASN 60 Ca -0.06 -1.63 -0.31 0.00 0.42 0.00 0.00 52.86 51.28 1uem s ASN 60 Cb -0.11 -2.58 0.12 0.00 -1.45 0.00 0.00 41.25 37.22 1uem s ASN 60 CO -0.18 -2.60 1.02 -0.44 -3.72 0.00 0.00 177.10 171.18 1uem s SER 61 N 6.27 -0.27 0.31 -4.21 0.01 -1.26 -5.13 113.70 109.41 1uem s SER 61 Ca 0.65 0.03 -0.28 0.00 1.31 0.00 0.00 55.95 57.66 1uem s SER 61 Cb -0.01 0.28 -0.09 0.00 0.21 0.00 0.00 66.02 66.41 1uem s SER 61 CO 0.09 -0.45 1.03 0.26 0.41 0.00 0.00 173.24 174.57 1uem s TRP 62 N -2.70 3.60 -0.01 2.43 0.52 -1.26 -4.33 118.94 117.18 1uem s TRP 62 Ca 0.06 1.74 0.04 0.00 0.02 0.00 0.00 56.10 57.96 1uem s TRP 62 Cb -0.01 -3.12 -0.01 0.00 -1.15 0.00 0.00 33.47 29.18 1uem s TRP 62 CO -0.07 -0.23 -0.12 -0.65 0.02 0.00 0.00 176.95 175.90 1uem s GLN 63 N -1.78 1.00 -0.82 4.98 -0.21 0.58 -4.95 119.66 118.45 1uem s GLN 63 Ca 0.48 -0.43 -0.20 0.00 0.02 0.00 0.00 55.36 55.23 1uem s GLN 63 Cb -0.26 -0.96 0.10 0.00 1.00 0.00 0.00 33.01 32.90 1uem s GLN 63 CO 0.33 0.25 1.08 0.99 -2.12 0.00 0.00 175.29 175.81 1uem s THR 64 N -0.25 4.52 -0.59 -0.19 2.01 -1.26 -0.64 115.64 119.24 1uem s THR 64 Ca 0.04 -1.04 0.24 0.00 0.31 0.00 0.00 61.69 61.24 1uem s THR 64 Cb -0.05 -4.76 0.08 0.00 0.01 0.00 0.00 72.50 67.78 1uem s THR 64 CO -0.00 -1.51 1.34 -0.37 -0.69 0.00 0.00 174.62 173.39 1uem h VAL 65 N 5.95 0.00 -3.73 3.82 -1.51 -1.51 -3.43 116.25 115.84 1uem h VAL 65 Ca -0.02 -0.58 -0.16 0.00 -1.23 0.00 0.00 66.70 64.71 1uem h VAL 65 Cb 1.04 1.20 -0.21 0.00 -2.13 0.00 0.00 31.29 31.19 1uem h VAL 65 CO 1.16 0.00 -0.59 0.00 -1.23 0.00 0.00 177.57 176.91 1uem s ALA 66 N -3.19 -0.12 0.07 5.19 0.00 -0.71 -4.68 121.76 118.32 1uem s ALA 66 Ca 0.06 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.71 1uem s ALA 66 Cb 0.12 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 1uem s ALA 66 CO 0.72 -0.18 -0.08 -0.80 0.00 0.00 0.00 175.76 175.41 1uem s ASN 67 N -1.39 1.13 -1.62 0.00 -0.87 -1.26 -0.96 114.94 109.97 1uem s ASN 67 Ca -0.15 -0.74 0.00 0.00 -1.57 0.00 0.00 52.86 50.40 1uem s ASN 67 Cb -0.09 0.04 0.00 0.00 -0.02 0.00 0.00 41.25 41.18 1uem s ASN 67 CO 0.00 -0.28 0.00 1.41 -2.57 0.00 0.00 177.10 175.66 1uem n HIS 68 N 0.81 -0.81 -2.52 2.20 8.25 0.35 -4.96 115.22 118.55 1uem n HIS 68 Ca -0.18 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.87 1uem n HIS 68 Cb 0.57 -3.61 -0.04 0.00 1.12 0.00 0.00 29.99 28.04 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 -2.91 3.99 -0.90 1.59 1.01 -0.84 -4.70 120.40 117.63 1uem s VAL 69 Ca 0.00 1.64 0.15 0.00 0.00 0.00 0.00 61.98 63.77 1uem s VAL 69 Cb 0.00 -4.05 -0.12 0.00 0.00 0.00 0.00 36.38 32.22 1uem s VAL 69 CO 0.00 0.25 0.68 0.29 0.00 0.00 0.00 175.10 176.32 1uem n LYS 70 N 2.75 2.03 -1.48 2.72 5.02 -1.26 -0.24 118.16 127.70 1uem n LYS 70 Ca 0.04 -0.22 -0.11 0.00 -2.02 0.00 0.00 58.31 56.00 1uem n LYS 70 Cb 0.47 -1.21 0.06 0.00 -0.02 0.00 0.00 35.03 34.32 1uem n LYS 70 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1uem n THR 71 N -1.00 0.00 -0.03 -0.18 5.66 -1.26 -4.99 114.28 112.48 1uem n THR 71 Ca 0.04 -0.71 0.00 0.00 -3.05 0.00 0.00 64.05 60.33 1uem n THR 71 Cb 0.26 -1.19 0.00 0.00 -1.55 0.00 0.00 70.33 67.85 1uem n THR 71 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1uem n THR 72 N -2.10 0.09 -4.52 1.09 -2.24 -1.26 -4.94 114.28 100.40 1uem n THR 72 Ca 0.08 -0.53 -0.21 0.00 -2.27 0.00 0.00 64.05 61.11 1uem n THR 72 Cb 0.27 0.98 -0.15 0.00 -2.10 0.00 0.00 70.33 69.33 1uem n THR 72 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1uem s LEU 73 N -0.09 1.92 -0.04 3.22 1.02 -1.26 -2.82 118.68 120.63 1uem s LEU 73 Ca 0.00 -0.22 -0.09 0.00 0.02 0.00 0.00 54.13 53.84 1uem s LEU 73 Cb 0.00 -0.64 0.01 0.00 0.02 0.00 0.00 46.19 45.58 1uem s LEU 73 CO 0.00 0.12 0.20 -0.47 0.02 0.00 0.00 176.35 176.22 1uem s TYR 74 N -0.07 -0.12 -0.51 0.29 6.14 -0.94 -4.98 117.35 117.14 1uem s TYR 74 Ca 0.01 0.26 -0.22 0.00 0.64 0.00 0.00 57.07 57.75 1uem s TYR 74 Cb -0.07 0.03 0.04 0.00 0.42 0.00 0.00 41.96 42.39 1uem s TYR 74 CO 0.00 -0.23 0.81 0.99 0.64 0.00 0.00 175.55 177.76 1uem s THR 75 N -0.70 4.59 0.69 4.34 2.01 -1.26 -1.43 115.64 123.87 1uem s THR 75 Ca -0.08 0.08 -0.17 0.00 0.31 0.00 0.00 61.69 61.83 1uem s THR 75 Cb -0.04 -4.42 0.01 0.00 0.01 0.00 0.00 72.50 68.06 1uem s THR 75 CO 0.01 -0.93 1.27 -0.69 -0.69 0.00 0.00 174.62 173.60 1uem s VAL 76 N 3.40 2.04 0.24 3.82 1.01 0.14 -4.87 120.40 126.18 1uem s VAL 76 Ca 0.26 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.30 1uem s VAL 76 Cb -0.14 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 1uem s VAL 76 CO 0.18 -0.01 0.14 0.54 0.00 0.00 0.00 175.10 175.95 1uem n ARG 77 N -2.24 0.47 -0.98 2.72 1.74 -1.26 -2.54 116.66 114.57 1uem n ARG 77 Ca 0.15 -2.17 0.00 0.00 -0.77 0.00 0.00 57.85 55.07 1uem n ARG 77 Cb 0.49 1.49 0.00 0.00 -1.02 0.00 0.00 32.46 33.42 1uem n ARG 77 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uem n GLY 78 N -0.07 0.51 2.96 -0.13 0.00 -0.93 -4.86 105.19 102.67 1uem n GLY 78 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.00 -4.44 0.99 4.77 -0.11 -5.06 117.00 113.16 1uem n LEU 79 Ca 0.00 -1.18 -0.29 0.00 -0.03 0.00 0.00 56.01 54.51 1uem n LEU 79 Cb 0.07 -0.74 -0.12 0.00 -2.33 0.00 0.00 43.42 40.29 1uem n LEU 79 CO 0.00 -1.18 -0.53 -0.13 -1.33 0.00 0.00 177.39 174.22 1uem s ARG 80 N -5.13 1.58 0.52 3.23 0.52 -1.26 -4.54 118.95 113.88 1uem s ARG 80 Ca 0.57 -1.33 -0.13 0.00 -0.52 0.00 0.00 55.73 54.32 1uem s ARG 80 Cb -0.02 -1.97 -0.06 0.00 0.52 0.00 0.00 34.95 33.42 1uem s ARG 80 CO 0.40 0.45 0.94 -1.25 0.02 0.00 0.00 175.30 175.86 1uem s PRO 81 N -2.24 3.78 -1.33 3.54 0.04 -0.91 -3.91 135.00 133.97 1uem s PRO 81 Ca 0.17 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1uem s PRO 81 Cb -0.10 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1uem s PRO 81 CO 0.08 -0.31 0.00 -1.71 0.04 0.00 0.00 177.00 175.10 1uem n ASN 82 N -1.94 -4.13 -4.22 6.66 2.85 -0.03 -4.93 115.26 109.52 1uem n ASN 82 Ca 0.05 0.23 -0.32 0.00 -0.11 0.00 0.00 54.58 54.43 1uem n ASN 82 Cb 0.54 -3.61 -0.17 0.00 1.24 0.00 0.00 39.78 37.79 1uem n ASN 82 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1uem s THR 83 N -2.52 2.11 0.43 -0.44 2.01 -1.25 -4.87 115.64 111.12 1uem s THR 83 Ca 0.00 -0.99 -0.24 0.00 0.31 0.00 0.00 61.69 60.76 1uem s THR 83 Cb 0.00 -1.81 -0.08 0.00 0.01 0.00 0.00 72.50 70.62 1uem s THR 83 CO 0.00 0.56 1.20 -0.63 -0.69 0.00 0.00 174.62 175.06 1uem s ILE 84 N 0.42 2.99 0.03 1.82 -1.09 -1.26 -2.02 121.20 122.08 1uem s ILE 84 Ca -0.17 0.79 -0.00 0.00 -2.23 0.00 0.00 60.65 59.04 1uem s ILE 84 Cb -0.17 -3.43 -0.03 0.00 -1.58 0.00 0.00 42.46 37.25 1uem s ILE 84 CO 0.07 0.04 -0.03 -0.31 -1.23 0.00 0.00 174.94 173.48 1uem s TYR 85 N -1.44 0.39 0.29 3.97 1.51 -0.55 -4.67 117.35 116.84 1uem s TYR 85 Ca 0.61 -0.72 0.08 0.00 -1.01 0.00 0.00 57.07 56.02 1uem s TYR 85 Cb -0.31 -0.28 -0.04 0.00 -0.11 0.00 0.00 41.96 41.22 1uem s TYR 85 CO 0.39 -0.25 0.18 -0.51 -1.11 0.00 0.00 175.55 174.25 1uem s LEU 86 N -2.01 3.56 -0.01 -1.29 1.43 -0.10 -0.76 118.68 119.50 1uem s LEU 86 Ca -0.07 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 1uem s LEU 86 Cb -0.03 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 44.10 1uem s LEU 86 CO -0.04 -0.17 0.01 -0.36 0.23 0.00 0.00 176.35 176.02 1uem s PHE 87 N -2.26 0.05 -0.05 0.29 0.08 -1.26 -2.34 117.98 112.49 1uem s PHE 87 Ca 0.36 0.05 0.05 0.00 0.12 0.00 0.00 56.93 57.50 1uem s PHE 87 Cb -0.06 -0.14 -0.00 0.00 -0.57 0.00 0.00 43.02 42.25 1uem s PHE 87 CO 0.24 -0.05 -0.19 -1.64 -0.10 0.00 0.00 175.22 173.48 1uem s MET 88 N 0.51 1.99 0.05 0.44 -1.94 -0.24 -0.96 119.30 119.16 1uem s MET 88 Ca -0.04 -0.68 -0.09 0.00 -1.71 0.00 0.00 55.69 53.16 1uem s MET 88 Cb -0.06 -1.71 -0.05 0.00 2.01 0.00 0.00 34.83 35.01 1uem s MET 88 CO -0.01 0.27 0.37 0.08 -0.01 0.00 0.00 175.02 175.72 1uem s VAL 89 N -0.00 5.14 0.14 -6.03 1.01 -1.26 -0.71 120.40 118.69 1uem s VAL 89 Ca -0.04 0.42 0.11 0.00 0.00 0.00 0.00 61.98 62.46 1uem s VAL 89 Cb -0.12 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1uem s VAL 89 CO 0.03 0.34 -0.25 -0.13 0.00 0.00 0.00 175.10 175.09 1uem s ARG 90 N -1.77 1.38 0.57 2.72 0.52 -0.19 -2.28 118.95 119.90 1uem s ARG 90 Ca 0.30 -1.36 -0.05 0.00 -0.52 0.00 0.00 55.73 54.11 1uem s ARG 90 Cb -0.14 -1.80 0.01 0.00 0.52 0.00 0.00 34.95 33.54 1uem s ARG 90 CO 0.17 0.42 0.87 0.00 0.02 0.00 0.00 175.30 176.77 1uem s ALA 91 N -1.23 3.38 0.06 2.13 0.00 -1.26 -0.34 121.76 124.50 1uem s ALA 91 Ca 0.14 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.35 1uem s ALA 91 Cb -0.09 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.48 1uem s ALA 91 CO 0.06 -0.76 -0.08 0.42 0.00 0.00 0.00 175.76 175.40 1uem s ILE 92 N -2.93 0.63 0.38 0.00 1.01 0.86 -1.06 121.20 120.08 1uem s ILE 92 Ca 0.53 -1.31 -0.16 0.00 0.00 0.00 0.00 60.65 59.72 1uem s ILE 92 Cb -0.10 -0.91 0.05 0.00 0.01 0.00 0.00 42.46 41.51 1uem s ILE 92 CO 0.44 -0.49 0.78 0.54 0.00 0.00 0.00 174.94 176.22 1uem s ASN 93 N -1.95 -0.01 0.00 3.58 4.22 -0.73 -0.32 114.94 119.73 1uem s ASN 93 Ca -0.04 -1.11 0.00 0.00 -2.14 0.00 0.00 52.86 49.57 1uem s ASN 93 Cb -0.06 0.84 0.00 0.00 1.28 0.00 0.00 41.25 43.31 1uem s ASN 93 CO -0.01 -1.67 0.67 -2.65 -2.04 0.00 0.00 177.10 171.41 1uem n PRO 94 N -0.53 0.00 0.00 3.55 -0.02 -1.26 -3.49 135.00 133.25 1uem n PRO 94 Ca -0.08 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1uem n PRO 94 Cb 0.60 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 1uem n PRO 94 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1uem n GLN 95 N -1.17 0.54 -1.70 -0.52 1.13 -1.26 -5.16 117.38 109.25 1uem n GLN 95 Ca 0.00 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1uem n GLN 95 Cb 0.01 -0.74 0.00 0.00 0.11 0.00 0.00 30.24 29.63 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 2.24 1.15 3.98 1.08 0.00 -1.23 -5.17 105.19 107.24 1uem n GLY 96 Ca 0.00 -0.93 -0.20 0.00 0.00 0.00 0.00 46.02 44.90 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 3.79 0.92 0.99 1.02 -1.26 -1.78 118.68 122.36 1uem s LEU 97 Ca 0.02 -0.10 -0.12 0.00 0.02 0.00 0.00 54.13 53.95 1uem s LEU 97 Cb -0.00 -2.84 0.14 0.00 0.02 0.00 0.00 46.19 43.51 1uem s LEU 97 CO 0.00 -0.60 1.10 -0.94 0.02 0.00 0.00 176.35 175.94 1uem s SER 98 N -4.23 3.38 0.59 2.29 1.04 -0.22 -4.93 113.70 111.62 1uem s SER 98 Ca 0.48 1.22 -0.18 0.00 0.48 0.00 0.00 55.95 57.95 1uem s SER 98 Cb -0.10 -1.88 -0.08 0.00 0.10 0.00 0.00 66.02 64.06 1uem s SER 98 CO 0.34 -2.66 0.48 0.47 0.98 0.00 0.00 173.24 172.84 1uem n ASP 99 N -3.87 -1.24 -4.73 7.02 8.00 -1.26 -4.78 116.55 115.70 1uem n ASP 99 Ca 0.06 0.71 -0.41 0.00 0.71 0.00 0.00 54.79 55.86 1uem n ASP 99 Cb 0.57 -1.16 -0.04 0.00 -0.02 0.00 0.00 41.12 40.48 1uem n ASP 99 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1uem s PRO 100 N -2.11 4.53 1.17 -0.24 0.04 -1.26 -4.30 135.00 132.83 1uem s PRO 100 Ca 0.68 1.69 -0.13 0.00 0.04 0.00 0.00 61.00 63.27 1uem s PRO 100 Cb -0.43 -3.33 0.27 0.00 0.04 0.00 0.00 34.50 31.05 1uem s PRO 100 CO 0.56 -0.06 0.90 -1.13 0.04 0.00 0.00 177.00 177.31 1uem n SER 101 N 3.13 -1.77 -4.60 6.66 3.41 -0.97 -4.92 113.62 114.56 1uem n SER 101 Ca 0.05 -0.15 -0.47 0.00 -0.26 0.00 0.00 58.87 58.05 1uem n SER 101 Cb 0.47 -1.23 -0.03 0.00 -0.26 0.00 0.00 64.21 63.16 1uem n SER 101 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1uem n PRO 102 N -4.63 1.39 -1.76 4.33 -0.02 -1.26 -4.77 135.00 128.28 1uem n PRO 102 Ca 0.03 0.49 -0.37 0.00 -2.02 0.00 0.00 63.50 61.63 1uem n PRO 102 Cb 0.55 -1.98 0.06 0.00 -0.02 0.00 0.00 33.50 32.11 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 -0.78 2.61 0.00 -0.52 -1.94 -1.26 -4.40 119.30 113.02 1uem s MET 103 Ca 0.67 2.07 0.00 0.00 -1.71 0.00 0.00 55.69 56.73 1uem s MET 103 Cb -0.76 -1.88 0.02 0.00 2.01 0.00 0.00 34.83 34.22 1uem s MET 103 CO 0.54 -1.55 0.99 -1.13 -0.01 0.00 0.00 175.02 173.86 1uem n SER 104 N -1.82 0.00 -1.11 3.03 3.41 -0.13 -4.81 113.62 112.18 1uem n SER 104 Ca 0.15 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 1uem n SER 104 Cb 0.48 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 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 -1.47 -6.08 -4.65 4.04 -0.08 -1.26 -4.88 116.55 102.17 1uem n ASP 105 Ca 0.00 1.18 -0.43 0.00 -1.51 0.00 0.00 54.79 54.04 1uem n ASP 105 Cb 0.01 -3.22 -0.03 0.00 2.34 0.00 0.00 41.12 40.22 1uem n ASP 105 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1uem s PRO 106 N -4.80 4.10 -0.12 -0.67 0.04 -1.26 -4.71 135.00 127.59 1uem s PRO 106 Ca 0.00 1.96 0.01 0.00 0.04 0.00 0.00 61.00 63.01 1uem s PRO 106 Cb 0.00 -3.95 -0.02 0.00 0.04 0.00 0.00 34.50 30.57 1uem s PRO 106 CO 0.00 -0.92 -0.14 0.14 0.04 0.00 0.00 177.00 176.12 1uem s VAL 107 N 4.21 2.99 0.33 -0.36 -7.23 0.06 -4.88 120.40 115.52 1uem s VAL 107 Ca 0.69 -0.69 -0.25 0.00 -1.81 0.00 0.00 61.98 59.92 1uem s VAL 107 Cb -0.29 -2.24 -0.10 0.00 0.56 0.00 0.00 36.38 34.31 1uem s VAL 107 CO 0.26 0.54 0.92 -0.60 -0.31 0.00 0.00 175.10 175.91 1uem s ARG 108 N 0.18 4.49 0.95 4.82 6.06 -1.26 -1.49 118.95 132.70 1uem s ARG 108 Ca -0.08 1.24 -0.12 0.00 -2.50 0.00 0.00 55.73 54.27 1uem s ARG 108 Cb -0.15 -2.72 0.16 0.00 0.06 0.00 0.00 34.95 32.29 1uem s ARG 108 CO 0.05 0.25 1.10 0.95 -2.50 0.00 0.00 175.30 175.15 1uem s THR 109 N -1.69 2.24 0.00 4.11 -4.23 -0.86 -4.95 115.64 110.27 1uem s THR 109 Ca 0.51 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 1uem s THR 109 Cb -0.17 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.02 1uem s THR 109 CO 0.22 -0.10 0.00 0.00 -0.54 0.00 0.00 174.62 174.20 1uem n GLN 110 N -3.98 -0.93 -0.09 3.99 6.02 -1.26 -3.90 117.38 117.23 1uem n GLN 110 Ca 0.06 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.08 1uem n GLN 110 Cb 0.57 0.00 0.08 0.00 1.02 0.00 0.00 30.24 31.91 1uem n GLN 110 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1uem n ASP 111 N -2.36 2.40 0.00 1.08 2.03 -1.26 -0.85 116.55 117.59 1uem n ASP 111 Ca 0.00 -1.89 0.00 0.00 0.52 0.00 0.00 54.79 53.42 1uem n ASP 111 Cb 0.00 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 1uem n ASP 111 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1uem n SER 112 N 0.14 0.00 -4.64 1.67 2.88 -1.26 -4.91 113.62 107.50 1uem n SER 112 Ca 0.06 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.18 1uem n SER 112 Cb 0.33 -0.78 -0.03 0.00 -0.75 0.00 0.00 64.21 62.98 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 -2.00 1.13 -0.83 0.46 0.00 -1.26 -4.93 107.32 99.90 1uem s GLY 113 Ca 0.00 1.02 -0.25 0.00 0.00 0.00 0.00 44.72 45.49 1uem s GLY 113 CO 0.00 3.49 1.81 2.56 0.00 0.00 0.00 173.10 180.96 1uem s PRO 114 N 5.05 2.76 -0.29 2.90 0.04 -1.26 -4.88 135.00 139.32 1uem s PRO 114 Ca 0.89 -0.17 0.01 0.00 0.04 0.00 0.00 61.00 61.77 1uem s PRO 114 Cb -0.37 -4.87 0.15 0.00 0.04 0.00 0.00 34.50 29.45 1uem s PRO 114 CO 0.37 -2.96 0.35 0.45 0.04 0.00 0.00 177.00 175.25 1uem s SER 115 N 7.33 1.09 0.26 6.66 0.15 -1.26 -5.12 113.70 122.82 1uem s SER 115 Ca 0.64 -0.58 -0.17 0.00 0.70 0.00 0.00 55.95 56.53 1uem s SER 115 Cb -0.07 0.78 0.01 0.00 -1.71 0.00 0.00 66.02 65.02 1uem s SER 115 CO 0.05 -0.37 0.60 -0.44 1.20 0.00 0.00 173.24 174.27 1uem s SER 116 N 2.44 -0.18 0.00 5.45 0.01 -1.26 -5.18 113.70 114.99 1uem s SER 116 Ca 0.09 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.59 1uem s SER 116 Cb -0.13 0.66 0.00 0.00 0.21 0.00 0.00 66.02 66.76 1uem s SER 116 CO -0.32 -1.25 0.00 0.61 0.41 0.00 0.00 173.24 172.70