#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 3.00 -3.21 1.61 7.64 -1.26 -4.96 113.62 116.43 1uem n SER 2 Ca 0.00 -3.31 -0.21 0.00 1.01 0.00 0.00 58.87 56.36 1uem n SER 2 Cb 0.00 -0.64 -0.07 0.00 -1.01 0.00 0.00 64.21 62.49 1uem n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1uem s SER 3 N -2.41 0.60 0.13 6.43 1.04 -1.26 -5.04 113.70 113.19 1uem s SER 3 Ca 0.41 -2.69 -0.16 0.00 0.48 0.00 0.00 55.95 53.99 1uem s SER 3 Cb 0.19 0.23 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 1uem s SER 3 CO -0.06 -0.14 1.66 1.23 0.98 0.00 0.00 173.24 176.91 1uem h GLY 4 N 5.47 0.64 -4.48 7.32 0.00 -2.09 -3.47 103.07 106.47 1uem h GLY 4 Ca 0.21 -0.37 0.29 0.00 0.00 0.00 0.00 47.33 47.46 1uem h GLY 4 CO 0.27 0.35 0.98 -1.35 0.00 0.00 0.00 176.54 176.79 1uem s SER 5 N -5.89 -0.01 0.11 0.19 1.04 -1.26 -5.02 113.70 102.86 1uem s SER 5 Ca -0.13 0.01 -0.11 0.00 0.48 0.00 0.00 55.95 56.19 1uem s SER 5 Cb 0.10 0.01 -0.13 0.00 0.10 0.00 0.00 66.02 66.10 1uem s SER 5 CO 0.76 -0.02 1.32 0.28 0.98 0.00 0.00 173.24 176.56 1uem h SER 6 N 2.01 0.91 0.00 7.02 0.02 -2.06 -3.50 113.55 117.95 1uem h SER 6 Ca -0.05 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.31 1uem h SER 6 Cb 1.16 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.43 1uem h SER 6 CO 0.20 1.39 0.00 0.61 -1.14 0.00 0.00 176.83 177.89 1uem n GLY 7 N 0.68 0.80 2.95 -3.77 0.00 -1.26 -4.68 105.19 99.92 1uem n GLY 7 Ca -0.07 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 1uem n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uem s LYS 8 N 0.00 1.27 -0.36 1.61 2.36 -1.26 -5.08 119.74 118.28 1uem s LYS 8 Ca 0.00 -0.26 0.01 0.00 -2.55 0.00 0.00 55.97 53.18 1uem s LYS 8 Cb 0.00 -1.14 0.15 0.00 -1.05 0.00 0.00 37.83 35.79 1uem s LYS 8 CO 0.00 -0.04 0.30 -0.80 1.55 0.00 0.00 175.35 176.36 1uem s ASN 9 N 0.83 1.99 0.73 1.43 -0.87 -1.26 -5.14 114.94 112.65 1uem s ASN 9 Ca -0.12 -1.77 -0.11 0.00 -1.57 0.00 0.00 52.86 49.29 1uem s ASN 9 Cb -0.15 0.15 0.03 0.00 -0.02 0.00 0.00 41.25 41.26 1uem s ASN 9 CO 0.02 -0.29 1.08 -0.47 -2.57 0.00 0.00 177.10 174.86 1uem s TYR 10 N 1.36 3.05 0.10 2.20 5.04 -1.26 -4.94 117.35 122.90 1uem s TYR 10 Ca 0.17 1.27 0.00 0.00 -2.44 0.00 0.00 57.07 56.06 1uem s TYR 10 Cb -0.18 -2.98 0.00 0.00 0.35 0.00 0.00 41.96 39.14 1uem s TYR 10 CO -0.04 -1.41 0.00 -3.47 -1.34 0.00 0.00 175.55 169.29 1uem n ASP 11 N -3.21 -2.92 -2.21 4.32 -0.08 -1.26 -4.22 116.55 106.97 1uem n ASP 11 Ca 0.07 0.45 -0.28 0.00 -1.51 0.00 0.00 54.79 53.53 1uem n ASP 11 Cb 0.55 -1.27 0.14 0.00 2.34 0.00 0.00 41.12 42.88 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 6.97 -3.40 -2.67 4.77 -1.26 -4.90 117.00 116.51 1uem n LEU 12 Ca 0.00 -3.93 -0.25 0.00 -0.03 0.00 0.00 56.01 51.81 1uem n LEU 12 Cb 0.19 -0.87 0.04 0.00 -2.33 0.00 0.00 43.42 40.44 1uem n LEU 12 CO 0.00 1.26 0.07 -1.20 -1.33 0.00 0.00 177.39 176.20 1uem n SER 13 N -1.04 -5.51 0.02 -1.43 7.64 -1.26 -4.90 113.62 107.14 1uem n SER 13 Ca 0.59 -0.46 -0.02 0.00 1.01 0.00 0.00 58.87 59.99 1uem n SER 13 Cb 1.21 -4.42 0.25 0.00 -1.01 0.00 0.00 64.21 60.23 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 -1.77 0.46 -4.12 6.43 3.32 -1.91 -3.30 116.42 115.53 1uem h ASP 14 Ca -0.53 -0.13 -0.52 0.00 0.02 0.00 0.00 57.03 55.87 1uem h ASP 14 Cb 1.36 -0.12 0.11 0.00 0.22 0.00 0.00 39.33 40.89 1uem h ASP 14 CO 0.58 0.64 0.44 -0.76 -1.72 0.00 0.00 179.24 178.43 1uem s LEU 15 N -8.80 3.60 0.82 1.55 1.43 -1.26 -1.78 118.68 114.24 1uem s LEU 15 Ca -0.07 2.30 -0.10 0.00 -1.03 0.00 0.00 54.13 55.22 1uem s LEU 15 Cb 0.14 -4.59 0.09 0.00 0.03 0.00 0.00 46.19 41.86 1uem s LEU 15 CO 0.78 -1.62 1.11 -2.16 0.23 0.00 0.00 176.35 174.69 1uem s PRO 16 N -3.50 1.81 0.67 1.29 0.04 -1.26 -4.17 135.00 129.87 1uem s PRO 16 Ca 0.75 1.31 -0.17 0.00 0.04 0.00 0.00 61.00 62.93 1uem s PRO 16 Cb -0.28 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1uem s PRO 16 CO 0.35 -2.00 1.20 0.20 0.04 0.00 0.00 177.00 176.79 1uem s GLY 17 N -3.12 2.51 0.31 0.56 0.00 0.41 -4.62 107.32 103.38 1uem s GLY 17 Ca 0.63 0.92 -0.29 0.00 0.00 0.00 0.00 44.72 45.98 1uem s GLY 17 CO 0.57 1.32 1.32 2.56 0.00 0.00 0.00 173.10 178.87 1uem s PRO 18 N -3.68 4.35 0.94 2.90 0.04 -1.26 -4.54 135.00 133.76 1uem s PRO 18 Ca 0.75 2.22 -0.11 0.00 0.04 0.00 0.00 61.00 63.90 1uem s PRO 18 Cb -0.29 -3.09 0.16 0.00 0.04 0.00 0.00 34.50 31.32 1uem s PRO 18 CO 0.40 -0.22 1.10 -1.25 0.04 0.00 0.00 177.00 177.06 1uem s PRO 19 N -1.48 0.83 0.72 0.56 0.04 -1.26 -4.33 135.00 130.08 1uem s PRO 19 Ca 0.51 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 1uem s PRO 19 Cb -0.40 -1.74 0.02 0.00 0.04 0.00 0.00 34.50 32.43 1uem s PRO 19 CO 0.51 -2.62 1.07 -1.12 0.04 0.00 0.00 177.00 174.88 1uem s SER 20 N -2.98 5.17 -0.12 6.66 0.01 -0.92 -4.39 113.70 117.13 1uem s SER 20 Ca 0.65 1.62 -0.36 0.00 1.31 0.00 0.00 55.95 59.17 1uem s SER 20 Cb -0.21 -2.46 -0.13 0.00 0.21 0.00 0.00 66.02 63.43 1uem s SER 20 CO 0.59 -1.58 1.81 1.17 0.41 0.00 0.00 173.24 175.63 1uem n LYS 21 N -3.22 1.86 -2.24 12.44 0.00 -1.26 -4.54 118.16 121.20 1uem n LYS 21 Ca 0.08 0.68 -0.37 0.00 0.00 0.00 0.00 58.31 58.70 1uem n LYS 21 Cb 0.54 -2.47 -0.01 0.00 0.00 0.00 0.00 35.03 33.09 1uem n LYS 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1uem s PRO 22 N 3.60 3.72 -0.17 1.64 0.04 -1.26 -4.79 135.00 137.77 1uem s PRO 22 Ca 0.93 1.78 -0.01 0.00 0.04 0.00 0.00 61.00 63.74 1uem s PRO 22 Cb -0.81 -2.38 -0.01 0.00 0.04 0.00 0.00 34.50 31.35 1uem s PRO 22 CO 0.54 -0.59 -0.11 -0.65 0.04 0.00 0.00 177.00 176.24 1uem s GLN 23 N -2.74 3.33 0.00 4.56 -0.21 0.10 -4.61 119.66 120.11 1uem s GLN 23 Ca 0.64 -0.68 -0.24 0.00 0.02 0.00 0.00 55.36 55.10 1uem s GLN 23 Cb -0.29 -2.75 -0.05 0.00 1.00 0.00 0.00 33.01 30.92 1uem s GLN 23 CO 0.35 0.02 0.71 0.14 -2.12 0.00 0.00 175.29 174.39 1uem s VAL 24 N 0.86 4.86 0.00 1.09 -7.23 -1.26 -0.68 120.40 118.04 1uem s VAL 24 Ca -0.03 1.50 0.00 0.00 -1.81 0.00 0.00 61.98 61.64 1uem s VAL 24 Cb -0.15 -4.06 0.00 0.00 0.56 0.00 0.00 36.38 32.73 1uem s VAL 24 CO 0.00 0.34 0.00 0.35 -0.31 0.00 0.00 175.10 175.48 1uem n THR 25 N 3.09 0.00 -2.38 5.32 -2.24 -0.19 -5.00 114.28 112.89 1uem n THR 25 Ca -0.03 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.35 1uem n THR 25 Cb 0.51 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.70 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 1.00 7.00 -0.03 3.42 2.15 -1.26 -4.90 116.67 124.06 1uem s ASP 26 Ca 0.00 2.35 -0.01 0.00 0.43 0.00 0.00 52.55 55.32 1uem s ASP 26 Cb 0.00 -2.63 0.02 0.00 -0.30 0.00 0.00 42.92 40.01 1uem s ASP 26 CO 0.00 -0.34 0.06 0.54 -0.17 0.00 0.00 175.17 175.26 1uem s VAL 27 N -1.24 -0.02 -0.17 1.11 0.11 -1.26 -0.71 120.40 118.21 1uem s VAL 27 Ca 0.49 0.08 -0.11 0.00 -2.93 0.00 0.00 61.98 59.51 1uem s VAL 27 Cb -0.33 -0.10 -0.07 0.00 -1.53 0.00 0.00 36.38 34.35 1uem s VAL 27 CO 0.42 0.03 -0.25 0.35 -3.33 0.00 0.00 175.10 172.32 1uem n THR 28 N 3.51 1.19 0.00 5.04 -2.24 -0.17 -4.82 114.28 116.78 1uem n THR 28 Ca -0.18 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1uem n THR 28 Cb 0.56 -1.87 0.00 0.00 -2.10 0.00 0.00 70.33 66.92 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 -3.97 0.00 0.00 -0.78 2.85 -1.26 -4.54 118.16 110.46 1uem n LYS 29 Ca -0.31 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 56.95 1uem n LYS 29 Cb 0.66 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.04 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 0.00 0.00 -4.38 -5.58 0.23 -1.26 -2.54 115.26 101.74 1uem n ASN 30 Ca 0.00 -0.97 -0.20 0.00 -0.53 0.00 0.00 54.58 52.88 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 2.80 -0.18 0.53 1.04 -1.26 -0.73 113.70 115.90 1uem s SER 31 Ca 0.00 -1.03 -0.11 0.00 0.48 0.00 0.00 55.95 55.29 1uem s SER 31 Cb 0.00 -0.17 0.06 0.00 0.10 0.00 0.00 66.02 66.01 1uem s SER 31 CO 0.00 -0.14 0.44 0.54 0.98 0.00 0.00 173.24 175.06 1uem s VAL 32 N -2.88 -0.02 -0.22 5.02 0.11 -0.69 -1.00 120.40 120.72 1uem s VAL 32 Ca 0.24 0.07 -0.20 0.00 -2.93 0.00 0.00 61.98 59.17 1uem s VAL 32 Cb -0.01 -0.65 -0.03 0.00 -1.53 0.00 0.00 36.38 34.16 1uem s VAL 32 CO 0.09 0.03 0.59 -0.89 -3.33 0.00 0.00 175.10 171.59 1uem s THR 33 N 1.32 5.04 -0.17 5.04 2.01 0.11 -0.64 115.64 128.34 1uem s THR 33 Ca -0.09 1.09 -0.03 0.00 0.31 0.00 0.00 61.69 62.97 1uem s THR 33 Cb -0.08 -3.91 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 1uem s THR 33 CO -0.12 0.11 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.10 1uem s LEU 34 N 2.01 3.05 0.18 4.42 1.43 0.29 -1.02 118.68 129.04 1uem s LEU 34 Ca 0.26 -0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 53.09 1uem s LEU 34 Cb -0.16 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 1uem s LEU 34 CO 0.10 0.10 0.39 -0.55 0.23 0.00 0.00 176.35 176.62 1uem s SER 35 N 0.74 6.43 0.24 2.29 0.15 0.15 -0.85 113.70 122.84 1uem s SER 35 Ca -0.02 0.49 0.01 0.00 0.70 0.00 0.00 55.95 57.13 1uem s SER 35 Cb -0.15 -2.05 -0.04 0.00 -1.71 0.00 0.00 66.02 62.08 1uem s SER 35 CO 0.02 -0.01 0.17 -1.66 1.20 0.00 0.00 173.24 172.95 1uem s TRP 36 N -1.79 1.33 -0.00 3.44 -2.14 -0.43 0.03 118.94 119.38 1uem s TRP 36 Ca 0.40 -1.45 -0.01 0.00 2.66 0.00 0.00 56.10 57.70 1uem s TRP 36 Cb -0.11 -0.61 -0.04 0.00 -3.10 0.00 0.00 33.47 29.60 1uem s TRP 36 CO 0.27 -0.69 0.14 -0.65 -2.66 0.00 0.00 176.95 173.36 1uem s GLN 37 N -3.97 3.26 0.68 3.25 -0.21 -1.26 -4.76 119.66 116.64 1uem s GLN 37 Ca 0.39 -0.41 -0.14 0.00 0.02 0.00 0.00 55.36 55.23 1uem s GLN 37 Cb 0.06 -2.98 0.01 0.00 1.00 0.00 0.00 33.01 31.10 1uem s GLN 37 CO 0.16 0.66 1.10 -1.25 -2.12 0.00 0.00 175.29 173.84 1uem s PRO 38 N -1.88 2.74 0.86 2.91 0.04 -1.26 -2.17 135.00 136.24 1uem s PRO 38 Ca 0.26 1.32 -0.09 0.00 0.04 0.00 0.00 61.00 62.52 1uem s PRO 38 Cb -0.12 -1.95 0.17 0.00 0.04 0.00 0.00 34.50 32.64 1uem s PRO 38 CO 0.17 -1.29 1.18 0.20 0.04 0.00 0.00 177.00 177.30 1uem s GLY 39 N -2.80 1.77 0.72 0.56 0.00 -1.26 -4.62 107.32 101.69 1uem s GLY 39 Ca 0.65 -1.43 -0.15 0.00 0.00 0.00 0.00 44.72 43.80 1uem s GLY 39 CO 0.44 -0.75 1.17 -1.59 0.00 0.00 0.00 173.10 172.38 1uem s THR 40 N -3.57 2.60 0.23 0.90 2.01 -1.26 -4.79 115.64 111.76 1uem s THR 40 Ca 0.71 0.28 -0.04 0.00 0.31 0.00 0.00 61.69 62.95 1uem s THR 40 Cb -0.04 -2.80 0.06 0.00 0.01 0.00 0.00 72.50 69.72 1uem s THR 40 CO 0.49 -0.17 0.17 -0.81 -0.69 0.00 0.00 174.62 173.61 1uem n PRO 41 N -2.72 -1.86 0.00 4.92 -0.04 -1.26 -0.44 135.00 133.59 1uem n PRO 41 Ca 0.12 -0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1uem n PRO 41 Cb 0.51 -0.30 0.00 0.00 -0.04 0.00 0.00 33.50 33.67 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 0.26 5.32 0.14 0.55 0.00 -1.26 -3.64 105.19 106.57 1uem n GLY 42 Ca 0.03 -1.35 -0.16 0.00 0.00 0.00 0.00 46.02 44.54 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 1.41 -3.04 2.61 2.02 -1.50 -3.47 112.91 110.95 1uem h THR 43 Ca 0.00 -1.80 -0.60 0.00 0.77 0.00 0.00 66.41 64.78 1uem h THR 43 Cb 0.00 2.33 -0.04 0.00 -1.74 0.00 0.00 68.15 68.70 1uem h THR 43 CO 0.00 0.53 -0.40 -0.76 0.37 0.00 0.00 175.52 175.26 1uem s LEU 44 N -8.62 4.31 0.55 2.58 1.43 -0.73 -5.07 118.68 113.12 1uem s LEU 44 Ca -0.14 0.44 -0.18 0.00 -1.03 0.00 0.00 54.13 53.22 1uem s LEU 44 Cb 0.04 -3.15 -0.05 0.00 0.03 0.00 0.00 46.19 43.06 1uem s LEU 44 CO 0.79 0.10 1.08 -2.16 0.23 0.00 0.00 176.35 176.40 1uem s PRO 45 N -2.62 3.41 0.82 1.29 0.04 -1.26 -4.55 135.00 132.13 1uem s PRO 45 Ca 0.38 1.42 -0.10 0.00 0.04 0.00 0.00 61.00 62.74 1uem s PRO 45 Cb -0.12 -2.03 0.09 0.00 0.04 0.00 0.00 34.50 32.47 1uem s PRO 45 CO 0.26 -0.77 1.11 0.00 0.04 0.00 0.00 177.00 177.65 1uem s ALA 46 N -2.05 1.99 0.00 8.56 0.00 -1.26 -4.30 121.76 124.70 1uem s ALA 46 Ca 0.68 0.38 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1uem s ALA 46 Cb -0.20 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1uem s ALA 46 CO 0.29 -2.11 0.00 0.43 0.00 0.00 0.00 175.76 174.37 1uem n SER 47 N -3.76 0.69 -1.20 0.00 7.64 0.53 -4.91 113.62 112.61 1uem n SER 47 Ca 0.10 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.97 1uem n SER 47 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 -1.89 -0.20 -2.46 -0.43 0.00 -1.18 -4.98 120.51 109.37 1uem n ALA 48 Ca 0.00 -0.13 -0.24 0.00 0.00 0.00 0.00 53.44 53.07 1uem n ALA 48 Cb 0.11 0.11 -0.07 0.00 0.00 0.00 0.00 19.45 19.60 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 -8.08 2.65 0.24 0.00 2.02 -0.46 -0.22 117.35 113.50 1uem s TYR 49 Ca 0.02 -0.48 0.11 0.00 -0.37 0.00 0.00 57.07 56.35 1uem s TYR 49 Cb -0.01 -1.81 -0.05 0.00 -0.40 0.00 0.00 41.96 39.70 1uem s TYR 49 CO 0.01 0.25 -0.20 0.42 -1.57 0.00 0.00 175.55 174.45 1uem s ILE 50 N -2.51 2.32 -0.02 2.71 1.01 0.53 -0.46 121.20 124.78 1uem s ILE 50 Ca 0.40 -2.26 0.05 0.00 0.00 0.00 0.00 60.65 58.84 1uem s ILE 50 Cb 0.00 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 1uem s ILE 50 CO 0.23 -0.34 -0.17 -0.63 0.00 0.00 0.00 174.94 174.03 1uem s ILE 51 N -2.31 1.33 0.30 2.92 1.01 -0.67 -1.52 121.20 122.26 1uem s ILE 51 Ca 0.26 -0.71 0.11 0.00 0.00 0.00 0.00 60.65 60.31 1uem s ILE 51 Cb -0.05 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 41.25 1uem s ILE 51 CO 0.12 0.38 -0.13 -1.61 0.00 0.00 0.00 174.94 173.70 1uem s GLU 52 N -0.31 1.83 0.10 2.79 2.02 -0.53 -0.80 118.70 123.80 1uem s GLU 52 Ca 0.05 -1.78 -0.05 0.00 0.02 0.00 0.00 54.97 53.20 1uem s GLU 52 Cb -0.07 -1.81 -0.02 0.00 0.10 0.00 0.00 34.13 32.33 1uem s GLU 52 CO -0.00 0.26 0.12 0.00 0.02 0.00 0.00 175.26 175.66 1uem s ALA 53 N -2.52 0.23 0.04 5.21 0.00 -0.60 -1.42 121.76 122.70 1uem s ALA 53 Ca 0.31 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.30 1uem s ALA 53 Cb -0.02 0.58 -0.02 0.00 0.00 0.00 0.00 23.12 23.66 1uem s ALA 53 CO 0.16 -0.50 -0.07 0.12 0.00 0.00 0.00 175.76 175.47 1uem s PHE 54 N -3.94 0.64 0.13 0.00 2.19 -0.53 -1.76 117.98 114.71 1uem s PHE 54 Ca 0.12 -0.48 -0.02 0.00 0.33 0.00 0.00 56.93 56.87 1uem s PHE 54 Cb 0.06 -0.39 -0.03 0.00 -1.31 0.00 0.00 43.02 41.35 1uem s PHE 54 CO -0.06 -0.09 0.09 0.45 1.83 0.00 0.00 175.22 177.45 1uem s SER 55 N -1.50 0.27 -0.50 6.13 0.15 -1.26 -1.20 113.70 115.79 1uem s SER 55 Ca -0.10 -1.13 0.02 0.00 0.70 0.00 0.00 55.95 55.43 1uem s SER 55 Cb -0.10 0.32 0.55 0.00 -1.71 0.00 0.00 66.02 65.08 1uem s SER 55 CO 0.00 -0.75 1.93 1.67 1.20 0.00 0.00 173.24 177.29 1uem n GLN 56 N -0.11 2.33 -1.69 5.44 7.27 -1.26 -3.95 117.38 125.41 1uem n GLN 56 Ca -0.06 -2.92 -0.05 0.00 0.07 0.00 0.00 57.00 54.05 1uem n GLN 56 Cb 0.63 -2.14 0.01 0.00 2.41 0.00 0.00 30.24 31.15 1uem n GLN 56 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1uem n SER 57 N -0.94 -1.06 0.00 1.69 2.88 -1.26 -5.04 113.62 109.90 1uem n SER 57 Ca 0.57 -2.08 0.00 0.00 -1.33 0.00 0.00 58.87 56.03 1uem n SER 57 Cb 1.24 0.41 0.00 0.00 -0.75 0.00 0.00 64.21 65.11 1uem n SER 57 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1uem n VAL 58 N -0.59 0.00 -1.70 2.46 0.24 -1.26 -5.02 118.33 112.46 1uem n VAL 58 Ca -0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1uem n VAL 58 Cb 0.78 -0.89 0.00 0.00 -1.47 0.00 0.00 33.84 32.27 1uem n VAL 58 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1uem n SER 59 N -2.18 0.00 0.00 -1.34 2.88 -1.26 -5.04 113.62 106.68 1uem n SER 59 Ca 0.00 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.54 1uem n SER 59 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1uem n SER 59 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1uem n ASN 60 N 0.00 0.00 -4.71 -3.46 2.85 -1.25 -4.94 115.26 103.74 1uem n ASN 60 Ca 0.00 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.16 1uem n ASN 60 Cb 0.27 -0.37 0.13 0.00 1.24 0.00 0.00 39.78 41.05 1uem n ASN 60 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1uem s SER 61 N -0.89 3.57 0.56 1.20 0.01 -1.26 -4.92 113.70 111.97 1uem s SER 61 Ca 0.00 2.09 -0.16 0.00 1.31 0.00 0.00 55.95 59.19 1uem s SER 61 Cb 0.00 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.62 1uem s SER 61 CO 0.00 -2.67 1.03 0.26 0.41 0.00 0.00 173.24 172.27 1uem s TRP 62 N -2.65 3.16 0.03 2.43 0.52 -1.26 -4.55 118.94 116.61 1uem s TRP 62 Ca 0.66 1.50 -0.03 0.00 0.02 0.00 0.00 56.10 58.24 1uem s TRP 62 Cb -0.22 -2.93 -0.02 0.00 -1.15 0.00 0.00 33.47 29.16 1uem s TRP 62 CO 0.56 -0.83 0.04 -0.65 0.02 0.00 0.00 176.95 176.08 1uem s GLN 63 N -4.05 0.47 0.21 4.98 -0.21 -0.72 -5.00 119.66 115.33 1uem s GLN 63 Ca 0.62 -0.71 -0.30 0.00 0.02 0.00 0.00 55.36 54.99 1uem s GLN 63 Cb -0.14 0.18 -0.09 0.00 1.00 0.00 0.00 33.01 33.96 1uem s GLN 63 CO 0.34 -0.10 1.33 0.95 -2.12 0.00 0.00 175.29 175.70 1uem s THR 64 N -2.17 3.11 0.00 -0.19 -4.23 -1.26 -1.56 115.64 109.34 1uem s THR 64 Ca -0.09 0.91 0.00 0.00 -1.18 0.00 0.00 61.69 61.33 1uem s THR 64 Cb -0.04 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.21 1uem s THR 64 CO -0.03 0.14 0.00 1.33 -0.54 0.00 0.00 174.62 175.52 1uem n VAL 65 N 2.59 0.00 -4.14 2.29 0.24 0.02 -4.89 118.33 114.44 1uem n VAL 65 Ca 0.06 -0.04 -0.11 0.00 -2.04 0.00 0.00 64.34 62.21 1uem n VAL 65 Cb 0.42 0.48 -0.10 0.00 -1.47 0.00 0.00 33.84 33.17 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 -1.63 0.89 -0.00 2.33 0.00 -0.74 -4.90 121.76 117.71 1uem s ALA 66 Ca 0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 50.73 1uem s ALA 66 Cb 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 23.12 23.24 1uem s ALA 66 CO 0.00 -0.16 0.08 1.21 0.00 0.00 0.00 175.76 176.89 1uem s ASN 67 N -2.62 0.06 -1.35 0.00 3.84 -1.26 -1.67 114.94 111.94 1uem s ASN 67 Ca 0.06 -0.20 -0.01 0.00 0.21 0.00 0.00 52.86 52.92 1uem s ASN 67 Cb 0.01 0.18 0.01 0.00 -0.55 0.00 0.00 41.25 40.89 1uem s ASN 67 CO -0.03 -0.28 0.65 1.41 -2.79 0.00 0.00 177.10 176.06 1uem n HIS 68 N 1.84 -1.87 -2.52 0.43 8.25 -0.79 -4.90 115.22 115.67 1uem n HIS 68 Ca -0.21 0.82 -0.41 0.00 -0.26 0.00 0.00 57.72 57.66 1uem n HIS 68 Cb 0.56 -4.21 -0.03 0.00 1.12 0.00 0.00 29.99 27.43 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 -3.72 3.79 -0.65 1.59 1.01 0.39 -4.80 120.40 118.01 1uem s VAL 69 Ca 0.04 0.57 -0.03 0.00 0.00 0.00 0.00 61.98 62.56 1uem s VAL 69 Cb -0.02 -4.77 0.18 0.00 0.00 0.00 0.00 36.38 31.77 1uem s VAL 69 CO 0.83 -1.60 2.45 0.29 0.00 0.00 0.00 175.10 177.08 1uem n LYS 70 N 9.03 2.70 -1.15 2.72 5.02 -1.26 -1.35 118.16 133.88 1uem n LYS 70 Ca 0.06 -2.90 -0.00 0.00 -2.02 0.00 0.00 58.31 53.45 1uem n LYS 70 Cb 0.49 -2.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 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 0.34 0.00 -0.60 -0.18 5.66 -1.26 -5.07 114.28 113.17 1uem n THR 71 Ca 0.51 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.51 1uem n THR 71 Cb 0.41 0.01 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 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 -0.00 0.12 -3.95 1.09 -2.24 -1.26 -4.82 114.28 103.21 1uem n THR 72 Ca -0.00 -0.26 -0.27 0.00 -2.27 0.00 0.00 64.05 61.25 1uem n THR 72 Cb 0.00 1.37 -0.17 0.00 -2.10 0.00 0.00 70.33 69.43 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 -0.12 1.22 0.01 3.22 2.96 -1.26 -1.31 118.68 123.41 1uem s LEU 73 Ca 0.00 -0.31 -0.08 0.00 -0.22 0.00 0.00 54.13 53.53 1uem s LEU 73 Cb 0.00 -0.85 0.00 0.00 0.50 0.00 0.00 46.19 45.84 1uem s LEU 73 CO 0.00 -0.11 0.15 -0.47 -1.32 0.00 0.00 176.35 174.60 1uem s TYR 74 N 1.64 0.05 -0.29 5.38 5.04 -0.03 -4.99 117.35 124.15 1uem s TYR 74 Ca 0.04 -0.19 -0.05 0.00 -2.44 0.00 0.00 57.07 54.43 1uem s TYR 74 Cb -0.13 -0.05 0.02 0.00 0.35 0.00 0.00 41.96 42.15 1uem s TYR 74 CO -0.08 -0.33 0.05 0.99 -1.34 0.00 0.00 175.55 174.84 1uem s THR 75 N -1.75 3.67 0.50 4.34 2.01 -1.26 -0.55 115.64 122.60 1uem s THR 75 Ca -0.12 -0.83 -0.23 0.00 0.31 0.00 0.00 61.69 60.82 1uem s THR 75 Cb -0.06 -2.91 -0.06 0.00 0.01 0.00 0.00 72.50 69.48 1uem s THR 75 CO 0.00 0.08 1.27 -0.69 -0.69 0.00 0.00 174.62 174.59 1uem s VAL 76 N 1.44 2.55 0.36 3.82 1.01 0.18 -4.89 120.40 124.88 1uem s VAL 76 Ca 0.01 0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.46 1uem s VAL 76 Cb -0.17 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 1uem s VAL 76 CO 0.01 0.00 0.16 -0.13 0.00 0.00 0.00 175.10 175.14 1uem s ARG 77 N -2.75 1.80 -1.68 2.72 0.52 -1.26 -1.71 118.95 116.59 1uem s ARG 77 Ca 0.67 -2.06 0.00 0.00 -0.52 0.00 0.00 55.73 53.81 1uem s ARG 77 Cb -0.35 -0.30 0.00 0.00 0.52 0.00 0.00 34.95 34.82 1uem s ARG 77 CO 0.43 -0.49 0.00 0.41 0.02 0.00 0.00 175.30 175.66 1uem n GLY 78 N -0.76 0.15 3.57 -3.53 0.00 -0.29 -4.85 105.19 99.49 1uem n GLY 78 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.74 0.00 -4.85 0.99 4.77 0.09 -5.05 117.00 110.22 1uem n LEU 79 Ca -0.21 -1.34 -0.37 0.00 -0.03 0.00 0.00 56.01 54.06 1uem n LEU 79 Cb 0.65 -0.95 -0.06 0.00 -2.33 0.00 0.00 43.42 40.73 1uem n LEU 79 CO 0.26 -1.43 -0.04 -0.13 -1.33 0.00 0.00 177.39 174.72 1uem s ARG 80 N -5.68 3.71 0.73 3.23 0.52 -1.26 -4.61 118.95 115.58 1uem s ARG 80 Ca 0.70 0.12 -0.11 0.00 -0.52 0.00 0.00 55.73 55.93 1uem s ARG 80 Cb -0.02 -3.22 0.03 0.00 0.52 0.00 0.00 34.95 32.26 1uem s ARG 80 CO 0.49 0.70 1.07 -1.25 0.02 0.00 0.00 175.30 176.34 1uem s PRO 81 N -0.94 2.63 -1.20 3.54 0.04 -1.05 -3.93 135.00 134.09 1uem s PRO 81 Ca 0.19 1.05 -0.08 0.00 0.04 0.00 0.00 61.00 62.20 1uem s PRO 81 Cb -0.14 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.52 1uem s PRO 81 CO 0.08 -1.35 0.41 -1.71 0.04 0.00 0.00 177.00 174.47 1uem n ASN 82 N -3.30 -3.44 -3.95 6.66 5.15 -0.05 -4.93 115.26 111.40 1uem n ASN 82 Ca 0.08 -0.31 -0.20 0.00 -0.60 0.00 0.00 54.58 53.55 1uem n ASN 82 Cb 0.53 -2.87 -0.16 0.00 -0.53 0.00 0.00 39.78 36.75 1uem n ASN 82 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1uem s THR 83 N -2.85 0.67 0.54 -0.44 2.01 -1.25 -4.92 115.64 109.40 1uem s THR 83 Ca 0.35 -0.25 -0.21 0.00 0.31 0.00 0.00 61.69 61.89 1uem s THR 83 Cb -0.19 -0.64 -0.05 0.00 0.01 0.00 0.00 72.50 71.63 1uem s THR 83 CO 0.43 0.23 1.24 -0.63 -0.69 0.00 0.00 174.62 175.21 1uem s ILE 84 N 0.53 2.62 0.14 1.82 -1.09 -1.26 -1.49 121.20 122.46 1uem s ILE 84 Ca -0.08 0.43 0.04 0.00 -2.23 0.00 0.00 60.65 58.82 1uem s ILE 84 Cb -0.11 -3.20 -0.04 0.00 -1.58 0.00 0.00 42.46 37.52 1uem s ILE 84 CO 0.01 -0.04 -0.10 -0.31 -1.23 0.00 0.00 174.94 173.26 1uem s TYR 85 N -1.50 1.25 0.22 3.97 1.51 0.01 -4.48 117.35 118.34 1uem s TYR 85 Ca 0.72 -0.73 0.07 0.00 -1.01 0.00 0.00 57.07 56.11 1uem s TYR 85 Cb -0.33 -0.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.84 1uem s TYR 85 CO 0.38 0.08 0.12 -0.51 -1.11 0.00 0.00 175.55 174.51 1uem s LEU 86 N -3.05 3.65 0.08 -1.29 1.43 -0.34 -0.94 118.68 118.22 1uem s LEU 86 Ca 0.15 -0.29 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 1uem s LEU 86 Cb 0.01 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 1uem s LEU 86 CO 0.01 0.02 -0.11 -0.36 0.23 0.00 0.00 176.35 176.13 1uem s PHE 87 N -1.99 1.04 0.21 0.29 0.08 -1.26 -1.45 117.98 114.90 1uem s PHE 87 Ca 0.31 -0.54 0.02 0.00 0.12 0.00 0.00 56.93 56.84 1uem s PHE 87 Cb -0.08 -0.58 -0.05 0.00 -0.57 0.00 0.00 43.02 41.73 1uem s PHE 87 CO 0.23 0.01 0.02 -1.64 -0.10 0.00 0.00 175.22 173.73 1uem s MET 88 N -2.12 1.24 0.06 0.44 -1.94 -0.50 -1.47 119.30 115.00 1uem s MET 88 Ca -0.01 -1.62 0.09 0.00 -1.71 0.00 0.00 55.69 52.45 1uem s MET 88 Cb -0.07 -0.37 -0.03 0.00 2.01 0.00 0.00 34.83 36.36 1uem s MET 88 CO 0.01 -0.15 -0.26 0.08 -0.01 0.00 0.00 175.02 174.69 1uem s VAL 89 N -3.60 2.22 0.09 -6.03 1.01 -1.26 -1.45 120.40 111.38 1uem s VAL 89 Ca 0.28 -1.46 0.10 0.00 0.00 0.00 0.00 61.98 60.90 1uem s VAL 89 Cb 0.06 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1uem s VAL 89 CO 0.07 0.30 -0.26 -0.13 0.00 0.00 0.00 175.10 175.09 1uem s ARG 90 N -1.44 1.51 0.49 2.72 0.52 -0.58 -2.71 118.95 119.46 1uem s ARG 90 Ca 0.13 -1.21 -0.07 0.00 -0.52 0.00 0.00 55.73 54.05 1uem s ARG 90 Cb -0.10 -1.84 -0.04 0.00 0.52 0.00 0.00 34.95 33.49 1uem s ARG 90 CO 0.03 0.45 0.82 0.00 0.02 0.00 0.00 175.30 176.62 1uem s ALA 91 N -0.96 3.35 0.13 2.13 0.00 -1.26 -0.34 121.76 124.80 1uem s ALA 91 Ca 0.12 -0.39 0.10 0.00 0.00 0.00 0.00 51.96 51.79 1uem s ALA 91 Cb -0.10 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 1uem s ALA 91 CO 0.04 -0.34 -0.25 0.42 0.00 0.00 0.00 175.76 175.63 1uem s ILE 92 N -2.74 2.14 0.27 0.00 1.01 0.70 -0.91 121.20 121.66 1uem s ILE 92 Ca 0.49 -1.75 -0.09 0.00 0.00 0.00 0.00 60.65 59.30 1uem s ILE 92 Cb -0.10 -1.91 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 1uem s ILE 92 CO 0.44 0.02 0.44 0.54 0.00 0.00 0.00 174.94 176.38 1uem s ASN 93 N -2.12 0.17 0.61 3.58 4.22 -0.82 -0.35 114.94 120.23 1uem s ASN 93 Ca 0.13 -1.13 0.34 0.00 -2.14 0.00 0.00 52.86 50.06 1uem s ASN 93 Cb -0.10 0.58 1.98 0.00 1.28 0.00 0.00 41.25 45.00 1uem s ASN 93 CO 0.06 -1.15 2.28 -0.65 -2.04 0.00 0.00 177.10 175.60 1uem h PRO 94 N 2.26 0.00 0.00 3.55 0.11 -1.93 -3.29 132.00 132.70 1uem h PRO 94 Ca -0.28 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.52 1uem h PRO 94 Cb 1.25 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.31 1uem h PRO 94 CO 0.39 0.00 -2.10 1.04 -0.21 0.00 0.00 178.00 177.12 1uem n GLN 95 N -3.65 0.44 -3.87 1.05 1.13 -1.26 -5.10 117.38 106.12 1uem n GLN 95 Ca -0.03 0.16 -0.09 0.00 -1.94 0.00 0.00 57.00 55.10 1uem n GLN 95 Cb 0.08 -1.28 -0.01 0.00 0.11 0.00 0.00 30.24 29.15 1uem n GLN 95 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1uem s GLY 96 N -5.54 0.34 0.65 1.08 0.00 -1.24 -5.17 107.32 97.44 1uem s GLY 96 Ca -0.27 -0.69 -0.07 0.00 0.00 0.00 0.00 44.72 43.69 1uem s GLY 96 CO 0.38 -0.34 0.98 1.08 0.00 0.00 0.00 173.10 175.21 1uem s LEU 97 N -3.03 3.01 0.88 0.66 1.02 -1.26 -1.94 118.68 118.02 1uem s LEU 97 Ca 0.16 0.68 -0.12 0.00 0.02 0.00 0.00 54.13 54.88 1uem s LEU 97 Cb -0.04 -3.43 0.12 0.00 0.02 0.00 0.00 46.19 42.85 1uem s LEU 97 CO 0.11 -1.32 1.10 -0.94 0.02 0.00 0.00 176.35 175.32 1uem s SER 98 N -4.40 3.72 0.94 2.29 1.04 -0.09 -4.89 113.70 112.33 1uem s SER 98 Ca 0.57 1.31 -0.13 0.00 0.48 0.00 0.00 55.95 58.18 1uem s SER 98 Cb -0.11 -1.99 0.04 0.00 0.10 0.00 0.00 66.02 64.06 1uem s SER 98 CO 0.46 -2.46 0.45 0.47 0.98 0.00 0.00 173.24 173.14 1uem n ASP 99 N -3.75 -1.93 -4.77 7.02 8.00 -1.26 -4.79 116.55 115.06 1uem n ASP 99 Ca 0.07 0.34 -0.36 0.00 0.71 0.00 0.00 54.79 55.55 1uem n ASP 99 Cb 0.56 -1.22 -0.01 0.00 -0.02 0.00 0.00 41.12 40.44 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 -3.68 3.58 1.09 -0.24 0.04 -1.26 -4.45 135.00 130.09 1uem s PRO 100 Ca 0.58 1.66 -0.12 0.00 0.04 0.00 0.00 61.00 63.16 1uem s PRO 100 Cb -0.21 -2.20 0.24 0.00 0.04 0.00 0.00 34.50 32.37 1uem s PRO 100 CO 0.67 -0.67 1.06 -1.54 0.04 0.00 0.00 177.00 176.55 1uem s SER 101 N -1.60 1.58 0.61 6.66 1.04 -1.10 -4.82 113.70 116.07 1uem s SER 101 Ca 0.68 1.60 -0.18 0.00 0.48 0.00 0.00 55.95 58.53 1uem s SER 101 Cb -0.25 -2.30 -0.06 0.00 0.10 0.00 0.00 66.02 63.51 1uem s SER 101 CO 0.30 -3.84 0.79 -2.65 0.98 0.00 0.00 173.24 168.82 1uem n PRO 102 N -4.68 0.69 -1.73 4.02 -0.02 -1.26 -4.86 135.00 127.16 1uem n PRO 102 Ca 0.05 0.27 -0.33 0.00 -2.02 0.00 0.00 63.50 61.47 1uem n PRO 102 Cb 0.54 -2.00 0.05 0.00 -0.02 0.00 0.00 33.50 32.08 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 -2.58 2.74 0.00 -0.52 -1.94 -1.26 -4.55 119.30 111.19 1uem s MET 103 Ca 0.73 1.43 0.01 0.00 -1.71 0.00 0.00 55.69 56.15 1uem s MET 103 Cb -0.42 -1.94 0.04 0.00 2.01 0.00 0.00 34.83 34.52 1uem s MET 103 CO 0.50 -1.30 0.91 -1.13 -0.01 0.00 0.00 175.02 173.98 1uem n SER 104 N -2.43 0.00 -0.34 3.03 3.41 -0.55 -4.71 113.62 112.04 1uem n SER 104 Ca 0.11 0.37 0.01 0.00 -0.26 0.00 0.00 58.87 59.10 1uem n SER 104 Cb 0.52 -0.38 -0.01 0.00 -0.26 0.00 0.00 64.21 64.08 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 -1.83 -4.59 4.04 2.03 -1.26 -4.85 116.55 108.72 1uem n ASP 105 Ca 0.00 0.38 -0.43 0.00 0.52 0.00 0.00 54.79 55.27 1uem n ASP 105 Cb 0.01 -0.62 -0.02 0.00 -0.72 0.00 0.00 41.12 39.76 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 -3.94 3.56 -0.13 -0.67 0.04 -1.26 -4.61 135.00 127.98 1uem s PRO 106 Ca 0.00 0.62 -0.03 0.00 0.04 0.00 0.00 61.00 61.63 1uem s PRO 106 Cb 0.00 -4.01 -0.03 0.00 0.04 0.00 0.00 34.50 30.50 1uem s PRO 106 CO 0.00 -1.60 -0.03 0.14 0.04 0.00 0.00 177.00 175.55 1uem s VAL 107 N 5.19 4.01 -0.05 -0.36 -7.23 -0.11 -4.89 120.40 116.95 1uem s VAL 107 Ca 0.53 -0.33 -0.16 0.00 -1.81 0.00 0.00 61.98 60.20 1uem s VAL 107 Cb -0.10 -2.73 -0.05 0.00 0.56 0.00 0.00 36.38 34.06 1uem s VAL 107 CO 0.30 0.53 0.44 -0.60 -0.31 0.00 0.00 175.10 175.45 1uem s ARG 108 N -0.04 4.13 0.72 4.82 3.52 -1.26 -0.81 118.95 130.04 1uem s ARG 108 Ca 0.02 0.43 -0.15 0.00 -0.13 0.00 0.00 55.73 55.89 1uem s ARG 108 Cb -0.13 -3.32 0.03 0.00 -1.56 0.00 0.00 34.95 29.97 1uem s ARG 108 CO 0.02 0.44 1.19 0.95 -0.81 0.00 0.00 175.30 177.10 1uem s THR 109 N -0.29 2.47 1.23 4.11 -4.23 -0.56 -4.94 115.64 113.43 1uem s THR 109 Ca 0.24 0.23 -0.16 0.00 -1.18 0.00 0.00 61.69 60.82 1uem s THR 109 Cb -0.16 -2.78 0.29 0.00 1.34 0.00 0.00 72.50 71.19 1uem s THR 109 CO 0.12 -0.13 0.81 0.00 -0.54 0.00 0.00 174.62 174.88 1uem n GLN 110 N -2.68 -2.86 -2.67 3.99 6.02 -1.26 -3.67 117.38 114.25 1uem n GLN 110 Ca 0.13 -0.82 -0.34 0.00 -0.01 0.00 0.00 57.00 55.96 1uem n GLN 110 Cb 0.51 -2.03 -0.05 0.00 1.02 0.00 0.00 30.24 29.69 1uem n GLN 110 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1uem s ASP 111 N -2.38 6.64 0.00 1.08 2.15 -1.26 -0.87 116.67 122.03 1uem s ASP 111 Ca 0.66 1.83 0.00 0.00 0.43 0.00 0.00 52.55 55.47 1uem s ASP 111 Cb -0.21 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 1uem s ASP 111 CO 0.64 -0.57 0.00 -1.54 -0.17 0.00 0.00 175.17 173.53 1uem n SER 112 N -0.75 0.00 -4.77 -0.34 3.41 -1.26 -4.66 113.62 105.25 1uem n SER 112 Ca 0.08 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.32 1uem n SER 112 Cb 0.53 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.49 1uem n SER 112 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1uem s GLY 113 N -1.29 2.78 0.31 5.00 0.00 -1.26 -5.01 107.32 107.85 1uem s GLY 113 Ca 0.00 1.00 -0.29 0.00 0.00 0.00 0.00 44.72 45.43 1uem s GLY 113 CO 0.00 1.45 1.27 2.56 0.00 0.00 0.00 173.10 178.39 1uem s PRO 114 N -2.86 4.41 0.31 2.90 0.04 -1.26 -5.03 135.00 133.50 1uem s PRO 114 Ca 0.67 2.14 -0.05 0.00 0.04 0.00 0.00 61.00 63.80 1uem s PRO 114 Cb -0.30 -3.10 -0.00 0.00 0.04 0.00 0.00 34.50 31.14 1uem s PRO 114 CO 0.36 -0.12 0.46 -1.54 0.04 0.00 0.00 177.00 176.20 1uem s SER 115 N -0.49 0.60 0.00 6.66 1.04 -1.26 -5.19 113.70 115.06 1uem s SER 115 Ca 0.49 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 55.57 1uem s SER 115 Cb -0.38 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1uem s SER 115 CO 0.50 -1.24 0.00 -0.24 0.98 0.00 0.00 173.24 173.24 1uem n SER 116 N -1.09 0.00 0.00 7.02 2.88 -1.26 -5.31 113.62 115.86 1uem n SER 116 Ca 0.00 -0.84 0.00 0.00 -1.33 0.00 0.00 58.87 56.70 1uem n SER 116 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 1uem n SER 116 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42