#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 6.42 0.17 1.61 0.15 -1.26 -4.98 113.70 115.81 1uem s SER 2 Ca 0.00 2.77 -0.24 0.00 0.70 0.00 0.00 55.95 59.19 1uem s SER 2 Cb 0.00 -2.58 0.07 0.00 -1.71 0.00 0.00 66.02 61.80 1uem s SER 2 CO 0.00 -0.99 0.98 -0.94 1.20 0.00 0.00 173.24 173.50 1uem s SER 3 N 2.23 -0.11 -0.61 5.45 1.04 -1.26 -5.07 113.70 115.36 1uem s SER 3 Ca 0.79 -0.51 -0.26 0.00 0.48 0.00 0.00 55.95 56.45 1uem s SER 3 Cb -0.47 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.11 1uem s SER 3 CO 0.35 -0.95 2.04 -0.83 0.98 0.00 0.00 173.24 174.83 1uem s GLY 4 N -3.08 -0.03 0.39 7.32 0.00 -1.26 -4.46 107.32 106.21 1uem s GLY 4 Ca 0.15 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.32 1uem s GLY 4 CO 0.03 3.66 0.00 1.44 0.00 0.00 0.00 173.10 178.24 1uem n SER 5 N 13.99 -2.12 -4.72 1.64 7.64 -1.26 -5.09 113.62 123.70 1uem n SER 5 Ca 0.28 0.71 -0.40 0.00 1.01 0.00 0.00 58.87 60.46 1uem n SER 5 Cb 0.52 2.09 -0.04 0.00 -1.01 0.00 0.00 64.21 65.77 1uem n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1uem s SER 6 N -3.64 7.08 0.62 6.43 0.01 -1.26 -5.06 113.70 117.88 1uem s SER 6 Ca 0.00 1.30 -0.19 0.00 1.31 0.00 0.00 55.95 58.37 1uem s SER 6 Cb 0.00 -2.44 -0.02 0.00 0.21 0.00 0.00 66.02 63.76 1uem s SER 6 CO 0.00 -0.12 1.27 -0.83 0.41 0.00 0.00 173.24 173.98 1uem s GLY 7 N 0.69 2.83 0.79 3.44 0.00 -1.26 -5.02 107.32 108.80 1uem s GLY 7 Ca 0.40 1.17 -0.11 0.00 0.00 0.00 0.00 44.72 46.17 1uem s GLY 7 CO 0.20 1.60 1.09 1.25 0.00 0.00 0.00 173.10 177.24 1uem s LYS 8 N -3.30 2.13 -0.16 2.90 2.20 -1.26 -5.09 119.74 117.15 1uem s LYS 8 Ca 0.80 0.70 -0.11 0.00 -0.36 0.00 0.00 55.97 57.00 1uem s LYS 8 Cb -0.36 -1.92 0.05 0.00 -1.51 0.00 0.00 37.83 34.10 1uem s LYS 8 CO 0.39 -1.61 0.41 1.21 -0.36 0.00 0.00 175.35 175.39 1uem s ASN 9 N -3.84 -0.48 0.26 1.43 2.47 -1.26 -5.13 114.94 108.39 1uem s ASN 9 Ca 0.61 0.87 0.00 0.00 0.42 0.00 0.00 52.86 54.76 1uem s ASN 9 Cb -0.15 0.80 0.00 0.00 -1.45 0.00 0.00 41.25 40.46 1uem s ASN 9 CO 0.55 -0.17 0.00 -1.22 -3.72 0.00 0.00 177.10 172.53 1uem n TYR 10 N 3.69 -2.17 -4.02 0.43 4.01 -1.26 -5.04 117.16 112.80 1uem n TYR 10 Ca -0.19 1.12 -0.08 0.00 -0.16 0.00 0.00 57.90 58.59 1uem n TYR 10 Cb 0.56 -1.97 -0.10 0.00 -0.31 0.00 0.00 39.34 37.52 1uem n TYR 10 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1uem s ASP 11 N -5.24 0.33 0.00 7.72 1.01 -1.26 -5.06 116.67 114.17 1uem s ASP 11 Ca 0.00 -0.69 0.27 0.00 0.71 0.00 0.00 52.55 52.84 1uem s ASP 11 Cb 0.00 0.15 0.77 0.00 1.01 0.00 0.00 42.92 44.85 1uem s ASP 11 CO 0.00 -0.43 1.58 0.00 0.21 0.00 0.00 175.17 176.53 1uem n LEU 12 N 0.97 1.68 -4.01 1.23 -0.00 -1.26 -4.92 117.00 110.69 1uem n LEU 12 Ca -0.20 -0.55 -0.11 0.00 -0.00 0.00 0.00 56.01 55.16 1uem n LEU 12 Cb 0.58 -0.03 -0.04 0.00 -0.00 0.00 0.00 43.42 43.93 1uem n LEU 12 CO 0.23 0.29 0.20 -0.44 -0.00 0.00 0.00 177.39 177.67 1uem s SER 13 N -2.14 0.26 -0.06 1.45 0.01 -1.26 -5.10 113.70 106.87 1uem s SER 13 Ca 0.32 -1.15 -0.01 0.00 1.31 0.00 0.00 55.95 56.42 1uem s SER 13 Cb 0.20 0.64 -0.03 0.00 0.21 0.00 0.00 66.02 67.04 1uem s SER 13 CO 0.39 -1.25 -0.06 0.47 0.41 0.00 0.00 173.24 173.20 1uem n ASP 14 N -0.84 2.53 -4.92 2.44 9.92 -1.26 -3.60 116.55 120.81 1uem n ASP 14 Ca -0.01 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 53.99 1uem n ASP 14 Cb 0.62 -0.12 0.01 0.00 -0.64 0.00 0.00 41.12 40.99 1uem n ASP 14 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1uem s LEU 15 N -5.66 3.51 0.45 0.64 1.43 -1.26 -3.16 118.68 114.63 1uem s LEU 15 Ca -0.08 0.72 -0.25 0.00 -1.03 0.00 0.00 54.13 53.49 1uem s LEU 15 Cb 0.02 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.55 1uem s LEU 15 CO 0.12 -0.75 1.45 -2.65 0.23 0.00 0.00 176.35 174.75 1uem n PRO 16 N -2.32 2.29 -1.69 1.29 -0.02 -1.26 -4.57 135.00 128.73 1uem n PRO 16 Ca 0.02 0.82 -0.41 0.00 -2.02 0.00 0.00 63.50 61.90 1uem n PRO 16 Cb 0.56 -2.65 0.01 0.00 -0.02 0.00 0.00 33.50 31.41 1uem n PRO 16 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uem n GLY 17 N 0.56 0.42 3.75 -1.23 0.00 -0.19 -4.49 105.19 104.02 1uem n GLY 17 Ca 0.05 0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 1uem n GLY 17 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uem s PRO 18 N -2.16 3.31 0.80 1.61 0.04 -1.26 -3.84 135.00 133.49 1uem s PRO 18 Ca 0.61 2.18 -0.12 0.00 0.04 0.00 0.00 61.00 63.71 1uem s PRO 18 Cb -0.52 -2.33 0.08 0.00 0.04 0.00 0.00 34.50 31.77 1uem s PRO 18 CO 0.58 -1.04 1.14 -1.25 0.04 0.00 0.00 177.00 176.47 1uem s PRO 19 N -2.81 1.85 0.95 0.56 0.04 -1.26 -3.85 135.00 130.48 1uem s PRO 19 Ca 0.69 1.48 -0.12 0.00 0.04 0.00 0.00 61.00 63.09 1uem s PRO 19 Cb -0.39 -1.83 0.16 0.00 0.04 0.00 0.00 34.50 32.49 1uem s PRO 19 CO 0.47 -2.00 1.09 -1.12 0.04 0.00 0.00 177.00 175.48 1uem s SER 20 N -2.71 2.95 -0.26 6.66 0.01 -0.41 -4.44 113.70 115.50 1uem s SER 20 Ca 0.67 1.44 -0.41 0.00 1.31 0.00 0.00 55.95 58.96 1uem s SER 20 Cb -0.22 -2.11 -0.17 0.00 0.21 0.00 0.00 66.02 63.72 1uem s SER 20 CO 0.52 -2.96 1.63 1.17 0.41 0.00 0.00 173.24 174.01 1uem n LYS 21 N -4.09 0.87 -1.76 12.44 4.81 -1.26 -4.50 118.16 124.66 1uem n LYS 21 Ca 0.06 0.32 -0.38 0.00 -0.87 0.00 0.00 58.31 57.44 1uem n LYS 21 Cb 0.56 -1.95 0.04 0.00 0.02 0.00 0.00 35.03 33.70 1uem n LYS 21 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1uem s PRO 22 N 2.88 3.13 -0.17 1.64 0.02 -1.26 -4.67 135.00 136.56 1uem s PRO 22 Ca 0.98 2.26 -0.02 0.00 0.02 0.00 0.00 61.00 64.24 1uem s PRO 22 Cb -1.15 -2.26 -0.01 0.00 0.02 0.00 0.00 34.50 31.10 1uem s PRO 22 CO 0.66 -1.21 -0.09 -0.65 -0.33 0.00 0.00 177.00 175.38 1uem s GLN 23 N -2.91 3.37 -0.42 5.54 -1.52 0.91 -4.53 119.66 120.11 1uem s GLN 23 Ca 0.72 -0.66 -0.29 0.00 -1.95 0.00 0.00 55.36 53.18 1uem s GLN 23 Cb -0.41 -2.80 0.02 0.00 -0.22 0.00 0.00 33.01 29.60 1uem s GLN 23 CO 0.49 0.02 1.09 0.08 -0.25 0.00 0.00 175.29 176.71 1uem s VAL 24 N 0.88 4.35 0.00 1.09 1.01 -1.26 -0.53 120.40 125.94 1uem s VAL 24 Ca -0.02 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.33 1uem s VAL 24 Cb -0.15 -4.51 0.00 0.00 0.00 0.00 0.00 36.38 31.72 1uem s VAL 24 CO 0.00 -0.79 0.00 0.35 0.00 0.00 0.00 175.10 174.67 1uem n THR 25 N 6.43 0.00 -2.58 3.92 -2.24 -0.46 -4.97 114.28 114.38 1uem n THR 25 Ca 0.11 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.49 1uem n THR 25 Cb 0.48 -0.81 -0.05 0.00 -2.10 0.00 0.00 70.33 67.86 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 -0.77 7.41 0.02 3.42 -1.08 -1.26 -4.92 116.67 119.49 1uem s ASP 26 Ca 0.00 2.12 0.01 0.00 -0.52 0.00 0.00 52.55 54.17 1uem s ASP 26 Cb 0.00 -2.62 -0.01 0.00 -1.46 0.00 0.00 42.92 38.83 1uem s ASP 26 CO 0.00 -0.04 -0.05 0.54 0.52 0.00 0.00 175.17 176.14 1uem s VAL 27 N -1.03 0.34 0.17 1.11 0.11 -1.26 -0.58 120.40 119.26 1uem s VAL 27 Ca 0.44 -0.66 0.01 0.00 -2.93 0.00 0.00 61.98 58.84 1uem s VAL 27 Cb -0.29 -0.38 -0.00 0.00 -1.53 0.00 0.00 36.38 34.17 1uem s VAL 27 CO 0.37 -0.21 0.03 0.35 -3.33 0.00 0.00 175.10 172.31 1uem n THR 28 N 2.13 0.00 0.24 5.04 -2.24 0.22 -4.82 114.28 114.85 1uem n THR 28 Ca -0.19 -0.90 0.11 0.00 -2.27 0.00 0.00 64.05 60.81 1uem n THR 28 Cb 0.56 0.26 0.57 0.00 -2.10 0.00 0.00 70.33 69.62 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 -0.40 0.16 -0.73 -0.78 2.85 -1.26 -1.03 118.16 116.97 1uem n LYS 29 Ca -0.05 0.58 -0.04 0.00 -1.05 0.00 0.00 58.31 57.75 1uem n LYS 29 Cb 0.23 -1.94 -0.04 0.00 -0.65 0.00 0.00 35.03 32.63 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 -2.27 -0.53 -3.90 -5.58 0.23 -1.26 -2.35 115.26 99.60 1uem n ASN 30 Ca -0.00 -1.35 -0.09 0.00 -0.53 0.00 0.00 54.58 52.60 1uem n ASN 30 Cb 0.10 0.16 -0.07 0.00 -2.08 0.00 0.00 39.78 37.88 1uem n ASN 30 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1uem s SER 31 N -0.53 0.10 -0.25 0.53 0.01 -1.26 -1.43 113.70 110.87 1uem s SER 31 Ca 0.00 -0.74 -0.20 0.00 1.31 0.00 0.00 55.95 56.32 1uem s SER 31 Cb 0.00 0.37 0.07 0.00 0.21 0.00 0.00 66.02 66.67 1uem s SER 31 CO 0.00 -0.78 0.65 0.54 0.41 0.00 0.00 173.24 174.06 1uem s VAL 32 N -3.90 -0.00 -0.42 3.43 0.11 -0.29 -0.61 120.40 118.72 1uem s VAL 32 Ca 0.09 0.01 -0.21 0.00 -2.93 0.00 0.00 61.98 58.94 1uem s VAL 32 Cb 0.04 -0.92 0.02 0.00 -1.53 0.00 0.00 36.38 34.00 1uem s VAL 32 CO -0.07 0.00 0.66 -0.89 -3.33 0.00 0.00 175.10 171.48 1uem s THR 33 N 0.84 4.81 0.02 5.04 2.01 0.25 -0.48 115.64 128.14 1uem s THR 33 Ca -0.04 0.25 -0.14 0.00 0.31 0.00 0.00 61.69 62.07 1uem s THR 33 Cb -0.05 -4.20 -0.06 0.00 0.01 0.00 0.00 72.50 68.20 1uem s THR 33 CO -0.07 -0.56 0.42 -0.76 -0.69 0.00 0.00 174.62 172.96 1uem s LEU 34 N 2.87 4.46 -0.30 4.42 1.43 -0.35 -1.35 118.68 129.86 1uem s LEU 34 Ca 0.24 0.96 -0.01 0.00 -1.03 0.00 0.00 54.13 54.29 1uem s LEU 34 Cb -0.14 -2.68 0.13 0.00 0.03 0.00 0.00 46.19 43.53 1uem s LEU 34 CO 0.19 0.30 0.24 -0.44 0.23 0.00 0.00 176.35 176.86 1uem s SER 35 N -1.19 2.31 0.45 2.29 0.01 0.31 -1.03 113.70 116.85 1uem s SER 35 Ca 0.26 -1.02 0.05 0.00 1.31 0.00 0.00 55.95 56.55 1uem s SER 35 Cb -0.16 0.20 -0.05 0.00 0.21 0.00 0.00 66.02 66.21 1uem s SER 35 CO 0.14 -0.40 0.04 -1.66 0.41 0.00 0.00 173.24 171.77 1uem s TRP 36 N 2.19 2.30 0.06 2.43 -2.14 -0.83 -0.06 118.94 122.88 1uem s TRP 36 Ca 0.10 -0.75 0.09 0.00 2.66 0.00 0.00 56.10 58.19 1uem s TRP 36 Cb -0.15 -1.75 -0.03 0.00 -3.10 0.00 0.00 33.47 28.44 1uem s TRP 36 CO -0.32 0.33 -0.24 -0.65 -2.66 0.00 0.00 176.95 173.41 1uem s GLN 37 N -3.80 1.82 0.36 3.25 -0.21 -1.26 -4.82 119.66 114.99 1uem s GLN 37 Ca 0.27 -1.11 -0.26 0.00 0.02 0.00 0.00 55.36 54.28 1uem s GLN 37 Cb 0.06 -2.03 -0.09 0.00 1.00 0.00 0.00 33.01 31.95 1uem s GLN 37 CO 0.14 0.51 1.06 -1.25 -2.12 0.00 0.00 175.29 173.63 1uem s PRO 38 N -1.44 4.33 1.00 2.91 0.04 -1.26 -1.28 135.00 139.29 1uem s PRO 38 Ca 0.13 1.61 -0.16 0.00 0.04 0.00 0.00 61.00 62.62 1uem s PRO 38 Cb -0.10 -2.77 0.20 0.00 0.04 0.00 0.00 34.50 31.87 1uem s PRO 38 CO 0.04 -0.01 1.22 0.20 0.04 0.00 0.00 177.00 178.48 1uem s GLY 39 N -1.33 1.67 0.53 0.56 0.00 -1.25 -4.81 107.32 102.69 1uem s GLY 39 Ca 0.53 -0.96 -0.22 0.00 0.00 0.00 0.00 44.72 44.07 1uem s GLY 39 CO 0.32 -0.23 1.33 -1.59 0.00 0.00 0.00 173.10 172.94 1uem s THR 40 N -3.52 2.25 0.00 0.90 2.01 -1.26 -4.71 115.64 111.30 1uem s THR 40 Ca 0.70 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.89 1uem s THR 40 Cb -0.08 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.33 1uem s THR 40 CO 0.53 -0.00 0.00 -0.81 -0.69 0.00 0.00 174.62 173.65 1uem n PRO 41 N -0.89 -0.82 0.00 4.92 -0.04 -1.26 -1.02 135.00 135.90 1uem n PRO 41 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1uem n PRO 41 Cb 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 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 2.28 3.47 0.37 0.55 0.00 -1.26 -4.53 105.19 106.06 1uem n GLY 42 Ca 0.00 -0.47 0.09 0.00 0.00 0.00 0.00 46.02 45.64 1uem n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uem h THR 43 N 0.00 0.93 -1.74 2.61 1.03 -1.64 -3.43 112.91 110.67 1uem h THR 43 Ca 0.00 -0.28 -0.55 0.00 -0.01 0.00 0.00 66.41 65.57 1uem h THR 43 Cb 0.00 0.03 -0.07 0.00 -1.07 0.00 0.00 68.15 67.04 1uem h THR 43 CO 0.00 0.15 -0.51 -0.76 -0.01 0.00 0.00 175.52 174.39 1uem s LEU 44 N -9.90 3.22 0.00 0.00 1.43 -1.19 -5.11 118.68 107.13 1uem s LEU 44 Ca -0.11 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.11 1uem s LEU 44 Cb 0.21 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.77 1uem s LEU 44 CO 0.79 -0.42 0.00 -0.81 0.23 0.00 0.00 176.35 176.14 1uem n PRO 45 N -1.22 0.01 -3.52 1.29 -0.04 -1.26 -4.87 135.00 125.39 1uem n PRO 45 Ca -0.02 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.35 1uem n PRO 45 Cb 0.62 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.07 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 -3.39 -1.67 -0.16 0.55 0.00 -1.26 -4.66 121.76 111.17 1uem s ALA 46 Ca 0.00 0.60 0.07 0.00 0.00 0.00 0.00 51.96 52.63 1uem s ALA 46 Cb 0.00 0.67 -0.15 0.00 0.00 0.00 0.00 23.12 23.64 1uem s ALA 46 CO 0.00 -0.79 -0.06 0.43 0.00 0.00 0.00 175.76 175.34 1uem n SER 47 N -0.34 2.06 0.00 0.00 7.64 0.11 -4.82 113.62 118.27 1uem n SER 47 Ca -0.11 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1uem n SER 47 Cb 0.63 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 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 -2.80 0.00 -2.42 -0.43 0.00 -0.65 -4.93 120.51 109.27 1uem n ALA 48 Ca -0.28 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 52.95 1uem n ALA 48 Cb 0.90 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.25 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 -2.19 1.89 0.16 0.00 1.51 0.25 -0.31 117.35 118.66 1uem s TYR 49 Ca 0.00 -0.96 0.08 0.00 -1.01 0.00 0.00 57.07 55.18 1uem s TYR 49 Cb 0.00 -1.20 -0.04 0.00 -0.11 0.00 0.00 41.96 40.61 1uem s TYR 49 CO 0.00 -0.01 -0.18 0.42 -1.11 0.00 0.00 175.55 174.67 1uem s ILE 50 N -3.33 1.74 -0.07 2.71 1.01 0.65 -0.50 121.20 123.40 1uem s ILE 50 Ca 0.35 -1.89 0.04 0.00 0.00 0.00 0.00 60.65 59.16 1uem s ILE 50 Cb 0.08 -1.80 -0.00 0.00 0.01 0.00 0.00 42.46 40.75 1uem s ILE 50 CO 0.14 -0.33 -0.21 -0.63 0.00 0.00 0.00 174.94 173.91 1uem s ILE 51 N -2.07 1.79 0.25 2.92 1.01 -0.06 -1.27 121.20 123.77 1uem s ILE 51 Ca 0.15 -0.89 0.11 0.00 0.00 0.00 0.00 60.65 60.02 1uem s ILE 51 Cb -0.05 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 1uem s ILE 51 CO 0.06 0.50 -0.16 -1.61 0.00 0.00 0.00 174.94 173.73 1uem s GLU 52 N 0.16 1.80 0.04 2.79 2.02 -0.79 -0.88 118.70 123.84 1uem s GLU 52 Ca -0.10 -1.61 -0.01 0.00 0.02 0.00 0.00 54.97 53.27 1uem s GLU 52 Cb -0.15 -1.89 -0.03 0.00 0.10 0.00 0.00 34.13 32.16 1uem s GLU 52 CO 0.05 0.36 -0.02 0.00 0.02 0.00 0.00 175.26 175.67 1uem s ALA 53 N -2.23 0.31 0.27 5.21 0.00 -0.23 -0.94 121.76 124.14 1uem s ALA 53 Ca 0.28 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.37 1uem s ALA 53 Cb -0.06 0.22 -0.06 0.00 0.00 0.00 0.00 23.12 23.22 1uem s ALA 53 CO 0.15 -0.27 0.04 0.12 0.00 0.00 0.00 175.76 175.80 1uem s PHE 54 N -2.77 1.67 0.00 0.00 2.19 -0.86 -1.73 117.98 116.49 1uem s PHE 54 Ca -0.04 -1.01 0.00 0.00 0.33 0.00 0.00 56.93 56.21 1uem s PHE 54 Cb -0.00 -1.01 0.00 0.00 -1.31 0.00 0.00 43.02 40.69 1uem s PHE 54 CO -0.06 -0.12 0.00 0.45 1.83 0.00 0.00 175.22 177.33 1uem n SER 55 N -0.51 0.00 0.00 6.13 2.88 -1.26 -0.49 113.62 120.37 1uem n SER 55 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1uem n SER 55 Cb 0.65 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.14 1uem n SER 55 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1uem n GLN 56 N -1.74 0.00 0.03 -1.46 -0.06 -1.26 -4.60 117.38 108.29 1uem n GLN 56 Ca 0.00 0.00 -0.18 0.00 -2.00 0.00 0.00 57.00 54.82 1uem n GLN 56 Cb 0.00 0.00 -0.14 0.00 -4.06 0.00 0.00 30.24 26.04 1uem n GLN 56 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1uem h SER 57 N 0.26 0.36 0.17 1.69 0.87 -1.97 -3.41 113.55 111.51 1uem h SER 57 Ca 0.00 -0.63 -0.01 0.00 -1.23 0.00 0.00 61.79 59.92 1uem h SER 57 Cb 0.00 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1uem h SER 57 CO 0.00 1.55 -0.08 0.58 -0.53 0.00 0.00 176.83 178.35 1uem h VAL 58 N 0.06 0.00 -0.99 2.23 2.07 -1.96 -3.44 116.25 114.22 1uem h VAL 58 Ca -0.32 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 66.61 1uem h VAL 58 Cb 2.03 0.00 -0.21 0.00 -1.52 0.00 0.00 31.29 31.60 1uem h VAL 58 CO 0.13 0.00 -0.38 -0.44 0.02 0.00 0.00 177.57 176.89 1uem s SER 59 N -4.69 -1.61 0.00 0.57 0.01 -1.26 -5.02 113.70 101.70 1uem s SER 59 Ca -0.03 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1uem s SER 59 Cb 0.00 2.02 0.00 0.00 0.21 0.00 0.00 66.02 68.25 1uem s SER 59 CO 0.10 -0.28 0.94 -0.46 0.41 0.00 0.00 173.24 173.95 1uem n ASN 60 N 5.30 0.00 -0.33 2.44 6.94 -1.26 -3.36 115.26 124.99 1uem n ASN 60 Ca 0.06 0.45 0.32 0.00 -0.02 0.00 0.00 54.58 55.39 1uem n ASN 60 Cb 0.54 -0.45 0.59 0.00 -2.36 0.00 0.00 39.78 38.11 1uem n ASN 60 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1uem n SER 61 N -1.44 0.33 -1.62 0.53 7.64 -1.26 -5.00 113.62 112.80 1uem n SER 61 Ca 0.00 1.61 0.00 0.00 1.01 0.00 0.00 58.87 61.49 1uem n SER 61 Cb 0.04 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 1uem n SER 61 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1uem n TRP 62 N -5.18 -4.48 -4.13 1.43 7.02 -1.21 -5.10 117.44 105.78 1uem n TRP 62 Ca 0.38 2.39 -0.14 0.00 -1.02 0.00 0.00 57.50 59.11 1uem n TRP 62 Cb 1.30 -3.59 -0.11 0.00 -2.42 0.00 0.00 31.31 26.49 1uem n TRP 62 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1uem s GLN 63 N -3.87 0.72 0.21 -0.99 -0.21 -0.71 -4.97 119.66 109.84 1uem s GLN 63 Ca 0.00 -0.99 -0.30 0.00 0.02 0.00 0.00 55.36 54.09 1uem s GLN 63 Cb 0.00 -0.45 -0.09 0.00 1.00 0.00 0.00 33.01 33.47 1uem s GLN 63 CO 0.00 0.07 1.36 0.99 -2.12 0.00 0.00 175.29 175.59 1uem s THR 64 N -1.97 3.03 0.00 -0.19 2.01 -1.26 -1.06 115.64 116.20 1uem s THR 64 Ca -0.01 0.84 0.00 0.00 0.31 0.00 0.00 61.69 62.83 1uem s THR 64 Cb -0.06 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 68.91 1uem s THR 64 CO -0.00 0.12 0.05 1.33 -0.69 0.00 0.00 174.62 175.44 1uem n VAL 65 N 2.65 0.00 -3.71 3.82 0.24 -0.06 -4.89 118.33 116.38 1uem n VAL 65 Ca 0.07 -0.43 -0.13 0.00 -2.04 0.00 0.00 64.34 61.82 1uem n VAL 65 Cb 0.42 1.02 -0.10 0.00 -1.47 0.00 0.00 33.84 33.71 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 -0.74 -1.16 0.25 2.33 0.00 -1.08 -4.79 121.76 116.57 1uem s ALA 66 Ca 0.00 1.37 0.10 0.00 0.00 0.00 0.00 51.96 53.43 1uem s ALA 66 Cb 0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 1uem s ALA 66 CO 0.00 -0.23 -0.11 1.21 0.00 0.00 0.00 175.76 176.63 1uem s ASN 67 N 0.43 4.08 -1.31 0.00 2.47 -1.26 -0.88 114.94 118.46 1uem s ASN 67 Ca -0.01 -0.78 -0.03 0.00 0.42 0.00 0.00 52.86 52.46 1uem s ASN 67 Cb -0.04 -0.59 -0.00 0.00 -1.45 0.00 0.00 41.25 39.17 1uem s ASN 67 CO -0.02 0.05 0.61 1.41 -3.72 0.00 0.00 177.10 175.43 1uem n HIS 68 N -0.51 -1.83 -2.55 0.43 8.25 -0.79 -4.91 115.22 113.32 1uem n HIS 68 Ca -0.07 0.75 -0.43 0.00 -0.26 0.00 0.00 57.72 57.71 1uem n HIS 68 Cb 0.58 -4.02 -0.02 0.00 1.12 0.00 0.00 29.99 27.65 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 -3.74 4.16 -0.75 1.59 1.01 0.34 -4.81 120.40 118.20 1uem s VAL 69 Ca 0.08 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.27 1uem s VAL 69 Cb -0.03 -4.50 0.36 0.00 0.00 0.00 0.00 36.38 32.22 1uem s VAL 69 CO 0.84 -0.91 1.69 0.29 0.00 0.00 0.00 175.10 177.02 1uem n LYS 70 N 7.81 3.33 -1.63 2.72 4.76 -1.26 -0.58 118.16 133.31 1uem n LYS 70 Ca 0.13 -4.03 -0.02 0.00 -2.87 0.00 0.00 58.31 51.52 1uem n LYS 70 Cb 0.49 -2.29 0.00 0.00 -1.84 0.00 0.00 35.03 31.39 1uem n LYS 70 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1uem n THR 71 N -0.44 0.00 -0.24 -0.18 5.66 -1.26 -5.05 114.28 112.76 1uem n THR 71 Ca 0.48 -0.22 0.00 0.00 -3.05 0.00 0.00 64.05 61.25 1uem n THR 71 Cb 0.36 0.20 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 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 -0.11 0.00 -4.08 1.09 -2.24 -1.26 -4.91 114.28 102.77 1uem n THR 72 Ca -0.02 -0.31 -0.29 0.00 -2.27 0.00 0.00 64.05 61.17 1uem n THR 72 Cb 0.12 1.24 -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 -0.46 1.59 -0.13 3.22 2.96 -1.26 -1.97 118.68 122.62 1uem s LEU 73 Ca 0.00 -0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 53.43 1uem s LEU 73 Cb 0.00 -1.09 0.07 0.00 0.50 0.00 0.00 46.19 45.67 1uem s LEU 73 CO 0.00 -0.06 0.22 -0.47 -1.32 0.00 0.00 176.35 174.72 1uem s TYR 74 N 1.43 -0.31 -0.68 5.38 6.14 -0.20 -4.98 117.35 124.13 1uem s TYR 74 Ca 0.03 0.67 -0.26 0.00 0.64 0.00 0.00 57.07 58.15 1uem s TYR 74 Cb -0.13 -0.19 -0.01 0.00 0.42 0.00 0.00 41.96 42.05 1uem s TYR 74 CO -0.08 -0.39 1.76 0.99 0.64 0.00 0.00 175.55 178.46 1uem s THR 75 N 2.36 3.45 0.42 4.34 2.01 -1.26 -1.21 115.64 125.74 1uem s THR 75 Ca 0.03 0.14 -0.25 0.00 0.31 0.00 0.00 61.69 61.92 1uem s THR 75 Cb -0.13 -4.15 -0.08 0.00 0.01 0.00 0.00 72.50 68.14 1uem s THR 75 CO -0.09 -1.11 1.24 -0.69 -0.69 0.00 0.00 174.62 173.29 1uem s VAL 76 N 8.49 2.83 0.27 3.82 1.01 0.37 -4.89 120.40 132.30 1uem s VAL 76 Ca 0.61 0.71 0.02 0.00 0.00 0.00 0.00 61.98 63.32 1uem s VAL 76 Cb -0.11 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1uem s VAL 76 CO 0.16 0.08 0.15 -0.13 0.00 0.00 0.00 175.10 175.35 1uem s ARG 77 N -2.33 1.47 0.00 2.72 0.52 -1.26 -1.13 118.95 118.93 1uem s ARG 77 Ca 0.58 -1.82 0.00 0.00 -0.52 0.00 0.00 55.73 53.98 1uem s ARG 77 Cb -0.35 -0.02 0.00 0.00 0.52 0.00 0.00 34.95 35.10 1uem s ARG 77 CO 0.44 -0.41 0.00 0.41 0.02 0.00 0.00 175.30 175.75 1uem n GLY 78 N -0.48 0.67 3.87 -3.53 0.00 -0.51 -4.94 105.19 100.26 1uem n GLY 78 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1uem n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uem s LEU 79 N 0.00 2.35 0.06 0.99 1.43 -0.81 -5.05 118.68 117.65 1uem s LEU 79 Ca 0.00 0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 53.36 1uem s LEU 79 Cb 0.00 -2.29 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 1uem s LEU 79 CO 0.00 -3.01 0.31 -0.13 0.23 0.00 0.00 176.35 173.75 1uem s ARG 80 N -5.81 3.61 0.69 1.70 0.52 -1.26 -4.63 118.95 113.76 1uem s ARG 80 Ca 0.74 -0.08 -0.12 0.00 -0.52 0.00 0.00 55.73 55.75 1uem s ARG 80 Cb -0.05 -3.00 0.01 0.00 0.52 0.00 0.00 34.95 32.43 1uem s ARG 80 CO 0.54 0.58 1.07 -1.25 0.02 0.00 0.00 175.30 176.25 1uem s PRO 81 N -2.11 2.87 -1.33 3.54 0.04 -0.99 -3.88 135.00 133.13 1uem s PRO 81 Ca 0.33 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1uem s PRO 81 Cb -0.13 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1uem s PRO 81 CO 0.20 -1.16 0.00 -1.71 0.04 0.00 0.00 177.00 174.37 1uem n ASN 82 N -2.97 -3.54 -4.15 6.66 2.85 -1.19 -4.92 115.26 108.00 1uem n ASN 82 Ca 0.08 0.30 -0.33 0.00 -0.11 0.00 0.00 54.58 54.52 1uem n ASN 82 Cb 0.53 -3.26 -0.16 0.00 1.24 0.00 0.00 39.78 38.14 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 -2.20 2.18 0.58 -0.44 2.01 -1.25 -4.87 115.64 111.64 1uem s THR 83 Ca 0.00 -0.91 -0.21 0.00 0.31 0.00 0.00 61.69 60.88 1uem s THR 83 Cb 0.00 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 1uem s THR 83 CO 0.00 0.53 1.30 -0.38 -0.69 0.00 0.00 174.62 175.39 1uem n ILE 84 N 4.48 4.10 -4.04 1.82 2.08 -1.26 -2.81 119.36 123.73 1uem n ILE 84 Ca -0.20 -0.50 -0.10 0.00 0.56 0.00 0.00 62.75 62.51 1uem n ILE 84 Cb 0.50 -1.57 -0.11 0.00 -0.75 0.00 0.00 39.64 37.72 1uem n ILE 84 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 1uem s TYR 85 N -1.33 0.48 0.19 1.39 1.51 -0.08 -4.39 117.35 115.11 1uem s TYR 85 Ca 0.75 -0.66 0.06 0.00 -1.01 0.00 0.00 57.07 56.21 1uem s TYR 85 Cb -0.41 -0.32 -0.04 0.00 -0.11 0.00 0.00 41.96 41.09 1uem s TYR 85 CO 0.47 -0.19 0.11 -0.51 -1.11 0.00 0.00 175.55 174.32 1uem s LEU 86 N -1.92 3.68 -0.04 -1.29 1.43 0.35 -1.33 118.68 119.57 1uem s LEU 86 Ca -0.07 -0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1uem s LEU 86 Cb -0.05 -2.28 0.02 0.00 0.03 0.00 0.00 46.19 43.91 1uem s LEU 86 CO -0.03 0.05 0.08 -0.36 0.23 0.00 0.00 176.35 176.32 1uem s PHE 87 N -1.84 -0.07 0.20 0.29 0.08 -1.26 -2.02 117.98 113.36 1uem s PHE 87 Ca 0.31 0.26 0.08 0.00 0.12 0.00 0.00 56.93 57.70 1uem s PHE 87 Cb -0.09 -0.10 -0.04 0.00 -0.57 0.00 0.00 43.02 42.22 1uem s PHE 87 CO 0.23 -0.10 -0.02 -1.64 -0.10 0.00 0.00 175.22 173.58 1uem s MET 88 N 0.75 2.29 -0.20 0.44 -1.94 -0.12 -2.11 119.30 118.41 1uem s MET 88 Ca -0.06 -1.23 0.00 0.00 -1.71 0.00 0.00 55.69 52.69 1uem s MET 88 Cb -0.08 -2.25 0.05 0.00 2.01 0.00 0.00 34.83 34.55 1uem s MET 88 CO -0.03 0.42 -0.06 0.08 -0.01 0.00 0.00 175.02 175.42 1uem s VAL 89 N -1.89 1.38 0.07 -6.03 1.01 -1.26 -1.89 120.40 111.79 1uem s VAL 89 Ca 0.28 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 1uem s VAL 89 Cb -0.08 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 1uem s VAL 89 CO 0.18 0.05 0.29 -0.13 0.00 0.00 0.00 175.10 175.49 1uem s ARG 90 N 1.49 3.56 0.46 2.72 0.52 -0.40 -3.69 118.95 123.61 1uem s ARG 90 Ca -0.02 -0.17 -0.07 0.00 -0.52 0.00 0.00 55.73 54.95 1uem s ARG 90 Cb -0.17 -2.99 -0.04 0.00 0.52 0.00 0.00 34.95 32.26 1uem s ARG 90 CO -0.07 0.58 0.79 0.00 0.02 0.00 0.00 175.30 176.61 1uem s ALA 91 N -1.47 3.38 0.15 2.13 0.00 -1.26 -0.25 121.76 124.43 1uem s ALA 91 Ca 0.34 -0.40 0.10 0.00 0.00 0.00 0.00 51.96 52.00 1uem s ALA 91 Cb -0.13 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 1uem s ALA 91 CO 0.22 -0.25 -0.22 0.42 0.00 0.00 0.00 175.76 175.92 1uem s ILE 92 N -2.64 2.02 0.24 0.00 1.01 0.58 -1.62 121.20 120.78 1uem s ILE 92 Ca 0.49 -1.82 0.01 0.00 0.00 0.00 0.00 60.65 59.34 1uem s ILE 92 Cb -0.10 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 1uem s ILE 92 CO 0.41 -0.11 0.17 0.20 0.00 0.00 0.00 174.94 175.61 1uem s ASN 93 N -2.34 0.60 0.61 3.58 -0.87 0.72 0.06 114.94 117.30 1uem s ASN 93 Ca 0.14 -1.50 0.34 0.00 -1.57 0.00 0.00 52.86 50.27 1uem s ASN 93 Cb -0.08 0.43 1.84 0.00 -0.02 0.00 0.00 41.25 43.42 1uem s ASN 93 CO 0.07 -0.90 2.03 -0.65 -2.57 0.00 0.00 177.10 175.07 1uem h PRO 94 N 2.48 0.00 0.00 -0.60 0.11 -1.91 -3.21 132.00 128.87 1uem h PRO 94 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1uem h PRO 94 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1uem h PRO 94 CO 0.48 0.00 -0.33 1.04 -0.21 0.00 0.00 178.00 178.98 1uem n GLN 95 N -2.84 4.85 -2.73 1.05 1.13 -1.26 -5.11 117.38 112.47 1uem n GLN 95 Ca -0.02 -0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 1uem n GLN 95 Cb 0.22 -0.77 0.00 0.00 0.11 0.00 0.00 30.24 29.81 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 1.24 -0.08 3.67 1.08 0.00 -1.21 -5.14 105.19 104.75 1uem n GLY 96 Ca 0.01 -1.37 -0.23 0.00 0.00 0.00 0.00 46.02 44.42 1uem n GLY 96 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1uem s LEU 97 N 0.00 3.18 0.82 0.99 0.05 -1.26 -0.20 118.68 122.26 1uem s LEU 97 Ca 0.00 -0.76 -0.12 0.00 0.05 0.00 0.00 54.13 53.30 1uem s LEU 97 Cb 0.00 -1.65 0.09 0.00 -2.05 0.00 0.00 46.19 42.57 1uem s LEU 97 CO 0.00 -0.15 1.14 -0.94 -0.55 0.00 0.00 176.35 175.86 1uem s SER 98 N -3.74 4.33 0.53 1.48 1.04 -0.64 -4.97 113.70 111.72 1uem s SER 98 Ca 0.34 0.95 -0.18 0.00 0.48 0.00 0.00 55.95 57.54 1uem s SER 98 Cb -0.04 -1.55 -0.11 0.00 0.10 0.00 0.00 66.02 64.42 1uem s SER 98 CO 0.21 -2.03 0.28 0.47 0.98 0.00 0.00 173.24 173.15 1uem n ASP 99 N -3.43 -2.02 -4.71 7.02 8.00 -1.26 -4.82 116.55 115.33 1uem n ASP 99 Ca 0.07 0.72 -0.42 0.00 0.71 0.00 0.00 54.79 55.87 1uem n ASP 99 Cb 0.59 -1.05 -0.03 0.00 -0.02 0.00 0.00 41.12 40.62 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 -1.64 4.42 0.99 -0.24 0.04 -1.26 -4.68 135.00 132.64 1uem s PRO 100 Ca 0.64 1.76 -0.14 0.00 0.04 0.00 0.00 61.00 63.30 1uem s PRO 100 Cb -0.48 -3.37 0.06 0.00 0.04 0.00 0.00 34.50 30.75 1uem s PRO 100 CO 0.59 -0.28 0.35 -1.13 0.04 0.00 0.00 177.00 176.57 1uem n SER 101 N 4.07 -2.09 -4.69 6.66 3.41 -1.24 -4.98 113.62 114.76 1uem n SER 101 Ca 0.09 0.23 -0.42 0.00 -0.26 0.00 0.00 58.87 58.51 1uem n SER 101 Cb 0.46 -1.16 -0.03 0.00 -0.26 0.00 0.00 64.21 63.22 1uem n SER 101 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1uem s PRO 102 N -3.63 4.19 0.57 4.33 0.04 -1.26 -4.89 135.00 134.35 1uem s PRO 102 Ca 0.57 2.39 -0.20 0.00 0.04 0.00 0.00 61.00 63.80 1uem s PRO 102 Cb -0.19 -3.52 -0.06 0.00 0.04 0.00 0.00 34.50 30.77 1uem s PRO 102 CO 0.67 -0.74 1.04 -1.33 0.04 0.00 0.00 177.00 176.68 1uem n MET 103 N 5.33 1.09 0.00 4.56 2.81 -1.26 -4.18 117.12 125.47 1uem n MET 103 Ca 0.16 0.41 0.07 0.00 -1.81 0.00 0.00 57.70 56.53 1uem n MET 103 Cb 0.40 -2.22 0.35 0.00 -0.71 0.00 0.00 33.22 31.04 1uem n MET 103 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1uem n SER 104 N -0.62 0.00 0.00 7.83 3.41 -0.90 -4.78 113.62 118.56 1uem n SER 104 Ca 0.13 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1uem n SER 104 Cb 0.46 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 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 -1.41 0.00 -4.58 4.04 2.03 -1.26 -4.89 116.55 110.49 1uem n ASP 105 Ca 0.05 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.95 1uem n ASP 105 Cb 0.15 0.50 -0.03 0.00 -0.72 0.00 0.00 41.12 41.02 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 -3.67 3.06 -0.06 -0.67 0.04 -1.26 -4.71 135.00 127.74 1uem s PRO 106 Ca 0.00 0.97 -0.03 0.00 0.04 0.00 0.00 61.00 61.98 1uem s PRO 106 Cb 0.00 -4.25 -0.04 0.00 0.04 0.00 0.00 34.50 30.25 1uem s PRO 106 CO 0.00 -2.20 0.09 0.14 0.04 0.00 0.00 177.00 175.08 1uem s VAL 107 N 7.60 4.96 -0.09 -0.36 -7.23 -0.44 -4.84 120.40 119.99 1uem s VAL 107 Ca 0.71 -0.16 -0.06 0.00 -1.81 0.00 0.00 61.98 60.66 1uem s VAL 107 Cb -0.17 -3.21 -0.04 0.00 0.56 0.00 0.00 36.38 33.53 1uem s VAL 107 CO 0.28 0.48 0.15 -0.60 -0.31 0.00 0.00 175.10 175.10 1uem s ARG 108 N -1.37 3.44 0.53 4.82 6.06 -1.26 -0.91 118.95 130.26 1uem s ARG 108 Ca 0.19 -0.17 -0.19 0.00 -2.50 0.00 0.00 55.73 53.06 1uem s ARG 108 Cb -0.12 -3.17 -0.06 0.00 0.06 0.00 0.00 34.95 31.66 1uem s ARG 108 CO 0.09 0.76 1.07 0.95 -2.50 0.00 0.00 175.30 175.67 1uem s THR 109 N -1.10 3.56 1.07 4.11 -4.23 -1.12 -4.95 115.64 112.99 1uem s THR 109 Ca 0.18 0.92 -0.18 0.00 -1.18 0.00 0.00 61.69 61.43 1uem s THR 109 Cb -0.12 -3.37 0.26 0.00 1.34 0.00 0.00 72.50 70.61 1uem s THR 109 CO 0.07 -0.26 1.00 0.00 -0.54 0.00 0.00 174.62 174.90 1uem n GLN 110 N -1.32 -2.69 -2.62 3.99 6.02 -0.20 -3.17 117.38 117.39 1uem n GLN 110 Ca 0.10 -1.60 -0.36 0.00 -0.01 0.00 0.00 57.00 55.14 1uem n GLN 110 Cb 0.52 -1.43 -0.05 0.00 1.02 0.00 0.00 30.24 30.30 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 -4.30 6.78 0.00 1.08 2.15 -1.26 -3.68 116.67 117.44 1uem s ASP 111 Ca 0.64 1.94 0.28 0.00 0.43 0.00 0.00 52.55 55.84 1uem s ASP 111 Cb -0.06 -2.57 1.13 0.00 -0.30 0.00 0.00 42.92 41.12 1uem s ASP 111 CO 0.48 -0.47 1.80 -1.54 -0.17 0.00 0.00 175.17 175.28 1uem n SER 112 N -0.24 0.46 -3.93 -0.34 3.41 -1.26 -4.49 113.62 107.22 1uem n SER 112 Ca 0.06 -0.45 -0.30 0.00 -0.26 0.00 0.00 58.87 57.92 1uem n SER 112 Cb 0.51 -0.07 0.23 0.00 -0.26 0.00 0.00 64.21 64.61 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 -2.58 1.61 0.07 5.00 0.00 -1.26 -4.99 107.32 105.17 1uem s GLY 113 Ca 0.25 -0.94 -0.31 0.00 0.00 0.00 0.00 44.72 43.73 1uem s GLY 113 CO 0.51 -0.09 1.25 2.56 0.00 0.00 0.00 173.10 177.33 1uem s PRO 114 N -5.44 4.40 0.04 2.90 0.04 -1.26 -5.03 135.00 130.65 1uem s PRO 114 Ca 0.71 1.85 -0.22 0.00 0.04 0.00 0.00 61.00 63.38 1uem s PRO 114 Cb -0.10 -3.33 0.05 0.00 0.04 0.00 0.00 34.50 31.17 1uem s PRO 114 CO 0.56 -0.31 0.51 0.45 0.04 0.00 0.00 177.00 178.24 1uem s SER 115 N 1.09 -0.43 -0.11 6.66 0.15 -1.26 -5.04 113.70 114.76 1uem s SER 115 Ca 0.60 0.18 -0.10 0.00 0.70 0.00 0.00 55.95 57.33 1uem s SER 115 Cb -0.31 0.48 0.01 0.00 -1.71 0.00 0.00 66.02 64.49 1uem s SER 115 CO 0.29 -0.70 0.16 -1.20 1.20 0.00 0.00 173.24 172.99 1uem n SER 116 N 0.45 -4.78 0.00 5.45 7.64 -1.26 -5.22 113.62 115.90 1uem n SER 116 Ca -0.18 0.17 0.04 0.00 1.01 0.00 0.00 58.87 59.90 1uem n SER 116 Cb 0.60 -1.21 0.21 0.00 -1.01 0.00 0.00 64.21 62.80 1uem n SER 116 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64