#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 -4.22 1.61 7.64 -1.26 -4.36 113.62 113.03 1uem n SER 2 Ca 0.00 -0.53 -0.13 0.00 1.01 0.00 0.00 58.87 59.22 1uem n SER 2 Cb 0.00 -0.02 -0.10 0.00 -1.01 0.00 0.00 64.21 63.08 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 -2.04 1.53 0.00 6.43 0.01 -1.26 -5.06 113.70 113.30 1uem s SER 3 Ca 0.27 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.52 1uem s SER 3 Cb 0.13 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.39 1uem s SER 3 CO 0.21 -0.39 0.54 0.61 0.41 0.00 0.00 173.24 174.63 1uem n GLY 4 N -0.13 -0.35 3.10 3.44 0.00 -1.26 -5.09 105.19 104.88 1uem n GLY 4 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.29 0.24 0.34 1.61 0.15 -1.26 -5.07 113.70 109.43 1uem s SER 5 Ca 0.00 -0.63 -0.12 0.00 0.70 0.00 0.00 55.95 55.91 1uem s SER 5 Cb 0.00 0.21 0.03 0.00 -1.71 0.00 0.00 66.02 64.55 1uem s SER 5 CO 0.00 -0.51 0.65 -0.94 1.20 0.00 0.00 173.24 173.63 1uem s SER 6 N -2.23 0.25 0.05 5.45 1.04 -1.26 -5.08 113.70 111.91 1uem s SER 6 Ca -0.04 -1.16 -0.34 0.00 0.48 0.00 0.00 55.95 54.90 1uem s SER 6 Cb -0.00 0.75 -0.19 0.00 0.10 0.00 0.00 66.02 66.68 1uem s SER 6 CO -0.05 -1.46 1.43 1.23 0.98 0.00 0.00 173.24 175.36 1uem h GLY 7 N 2.07 -1.20 -0.79 7.32 0.00 -2.02 -3.42 103.07 105.02 1uem h GLY 7 Ca -0.29 0.45 -0.48 0.00 0.00 0.00 0.00 47.33 47.01 1uem h GLY 7 CO 0.37 -0.44 0.40 0.54 0.00 0.00 0.00 176.54 177.41 1uem s LYS 8 N -5.56 2.16 -0.09 4.80 1.02 -1.26 -5.10 119.74 115.72 1uem s LYS 8 Ca -0.18 0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.09 1uem s LYS 8 Cb 0.02 -1.96 0.02 0.00 -0.52 0.00 0.00 37.83 35.39 1uem s LYS 8 CO 0.55 -1.49 -0.07 1.21 -0.92 0.00 0.00 175.35 174.63 1uem s ASN 9 N -4.41 1.86 0.30 2.83 2.47 -1.26 -5.03 114.94 111.70 1uem s ASN 9 Ca 0.61 -0.25 0.00 0.00 0.42 0.00 0.00 52.86 53.64 1uem s ASN 9 Cb -0.12 -0.74 0.00 0.00 -1.45 0.00 0.00 41.25 38.95 1uem s ASN 9 CO 0.51 -0.09 0.00 -1.22 -3.72 0.00 0.00 177.10 172.58 1uem n TYR 10 N 4.62 -3.49 -3.79 0.43 4.02 -1.26 -5.04 117.16 112.66 1uem n TYR 10 Ca -0.15 1.62 -0.10 0.00 -0.01 0.00 0.00 57.90 59.26 1uem n TYR 10 Cb 0.50 -3.00 -0.05 0.00 -0.02 0.00 0.00 39.34 36.78 1uem n TYR 10 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1uem s ASP 11 N -6.52 -0.18 -1.37 7.72 1.01 -1.26 -5.04 116.67 111.02 1uem s ASP 11 Ca 0.00 -0.56 -0.09 0.00 0.71 0.00 0.00 52.55 52.60 1uem s ASP 11 Cb 0.00 0.54 0.10 0.00 1.01 0.00 0.00 42.92 44.56 1uem s ASP 11 CO 0.00 -1.00 2.23 0.18 0.21 0.00 0.00 175.17 176.79 1uem n LEU 12 N -0.30 7.38 -3.89 1.23 4.77 -1.26 -4.92 117.00 120.00 1uem n LEU 12 Ca -0.10 -4.59 -0.11 0.00 -0.03 0.00 0.00 56.01 51.18 1uem n LEU 12 Cb 0.63 -1.49 -0.12 0.00 -2.33 0.00 0.00 43.42 40.11 1uem n LEU 12 CO 0.19 1.62 -0.28 -0.55 -1.33 0.00 0.00 177.39 177.04 1uem s SER 13 N 1.29 0.04 -0.13 -1.43 0.15 -1.26 -5.03 113.70 107.34 1uem s SER 13 Ca 0.49 -0.13 0.19 0.00 0.70 0.00 0.00 55.95 57.20 1uem s SER 13 Cb 0.14 0.15 0.29 0.00 -1.71 0.00 0.00 66.02 64.89 1uem s SER 13 CO -0.05 -0.19 1.15 0.47 1.20 0.00 0.00 173.24 175.82 1uem n ASP 14 N 2.23 2.33 -4.78 5.45 8.00 -1.26 -4.93 116.55 123.59 1uem n ASP 14 Ca -0.18 -3.08 -0.23 0.00 0.71 0.00 0.00 54.79 52.01 1uem n ASP 14 Cb 0.57 -0.43 -0.05 0.00 -0.02 0.00 0.00 41.12 41.19 1uem n ASP 14 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1uem s LEU 15 N -2.86 3.68 0.93 0.64 1.43 -1.26 -4.50 118.68 116.75 1uem s LEU 15 Ca 0.32 -0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 53.00 1uem s LEU 15 Cb 0.28 -2.22 0.16 0.00 0.03 0.00 0.00 46.19 44.43 1uem s LEU 15 CO 0.03 -0.01 1.13 -2.84 0.23 0.00 0.00 176.35 174.89 1uem s PRO 16 N -3.67 0.88 0.32 1.29 0.02 -1.26 -4.77 135.00 127.81 1uem s PRO 16 Ca 0.32 1.43 -0.28 0.00 0.02 0.00 0.00 61.00 62.50 1uem s PRO 16 Cb -0.08 -1.72 -0.09 0.00 0.02 0.00 0.00 34.50 32.63 1uem s PRO 16 CO 0.23 -2.69 1.11 0.20 -0.33 0.00 0.00 177.00 175.52 1uem s GLY 17 N -2.71 2.97 0.84 0.52 0.00 -0.21 -4.64 107.32 104.09 1uem s GLY 17 Ca 0.67 0.89 -0.11 0.00 0.00 0.00 0.00 44.72 46.16 1uem s GLY 17 CO 0.59 1.45 1.09 2.56 0.00 0.00 0.00 173.10 178.78 1uem s PRO 18 N -1.80 1.74 1.12 2.90 0.04 -1.26 -3.05 135.00 134.68 1uem s PRO 18 Ca 0.49 1.01 -0.12 0.00 0.04 0.00 0.00 61.00 62.42 1uem s PRO 18 Cb -0.30 -1.85 0.26 0.00 0.04 0.00 0.00 34.50 32.65 1uem s PRO 18 CO 0.39 -1.96 1.05 -1.25 0.04 0.00 0.00 177.00 175.26 1uem s PRO 19 N -4.91 -0.54 0.91 0.56 0.05 -1.26 -4.09 135.00 125.72 1uem s PRO 19 Ca 0.62 0.87 -0.12 0.00 0.05 0.00 0.00 61.00 62.42 1uem s PRO 19 Cb -0.18 -1.60 0.14 0.00 0.05 0.00 0.00 34.50 32.92 1uem s PRO 19 CO 0.57 -3.48 1.14 -1.12 0.05 0.00 0.00 177.00 174.15 1uem s SER 20 N -2.67 3.49 0.24 6.66 0.01 -0.85 -4.52 113.70 116.06 1uem s SER 20 Ca 0.68 0.97 -0.31 0.00 1.31 0.00 0.00 55.95 58.60 1uem s SER 20 Cb -0.24 -1.55 -0.13 0.00 0.21 0.00 0.00 66.02 64.31 1uem s SER 20 CO 0.63 -2.57 1.48 1.17 0.41 0.00 0.00 173.24 174.36 1uem n LYS 21 N -3.78 2.24 -0.72 12.44 4.81 -1.26 -4.61 118.16 127.29 1uem n LYS 21 Ca 0.06 0.80 -0.30 0.00 -0.87 0.00 0.00 58.31 58.01 1uem n LYS 21 Cb 0.59 -2.50 0.20 0.00 0.02 0.00 0.00 35.03 33.34 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 -0.25 0.20 0.45 1.64 0.04 -1.26 -4.70 135.00 131.12 1uem s PRO 22 Ca 0.68 1.12 0.08 0.00 0.04 0.00 0.00 61.00 62.92 1uem s PRO 22 Cb -0.61 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1uem s PRO 22 CO 0.48 -3.05 0.46 -0.65 0.04 0.00 0.00 177.00 174.28 1uem s GLN 23 N -4.61 2.52 -0.03 4.56 -1.52 0.15 -4.78 119.66 115.94 1uem s GLN 23 Ca 0.67 -1.56 0.06 0.00 -1.95 0.00 0.00 55.36 52.57 1uem s GLN 23 Cb -0.23 -2.44 -0.01 0.00 -0.22 0.00 0.00 33.01 30.11 1uem s GLN 23 CO 0.61 -0.34 -0.21 0.08 -0.25 0.00 0.00 175.29 175.18 1uem s VAL 24 N -2.51 1.67 0.00 1.09 1.01 -1.26 -2.41 120.40 117.98 1uem s VAL 24 Ca 0.49 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1uem s VAL 24 Cb -0.05 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1uem s VAL 24 CO 0.29 0.47 0.00 0.35 0.00 0.00 0.00 175.10 176.21 1uem n THR 25 N 2.82 0.00 -2.50 3.92 -2.24 -0.34 -4.95 114.28 111.00 1uem n THR 25 Ca -0.17 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.21 1uem n THR 25 Cb 0.53 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.71 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 7.29 0.04 3.42 -1.08 -1.26 -4.87 116.67 121.20 1uem s ASP 26 Ca 0.00 2.20 -0.01 0.00 -0.52 0.00 0.00 52.55 54.22 1uem s ASP 26 Cb 0.00 -2.62 -0.03 0.00 -1.46 0.00 0.00 42.92 38.81 1uem s ASP 26 CO 0.00 -0.15 -0.01 0.54 0.52 0.00 0.00 175.17 176.06 1uem s VAL 27 N -0.88 0.16 0.00 1.11 0.11 -1.26 -0.30 120.40 119.34 1uem s VAL 27 Ca 0.46 -1.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.18 1uem s VAL 27 Cb -0.31 -0.90 0.00 0.00 -1.53 0.00 0.00 36.38 33.64 1uem s VAL 27 CO 0.39 -0.73 0.00 0.35 -3.33 0.00 0.00 175.10 171.77 1uem n THR 28 N 0.83 0.00 0.14 5.04 -2.24 -0.12 -4.95 114.28 112.98 1uem n THR 28 Ca -0.19 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.61 1uem n THR 28 Cb 0.58 0.00 0.38 0.00 -2.10 0.00 0.00 70.33 69.19 1uem n THR 28 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1uem h LYS 29 N 0.00 0.18 0.00 -0.78 2.10 -1.91 -1.27 116.57 114.89 1uem h LYS 29 Ca 0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1uem h LYS 29 Cb 0.00 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 1uem h LYS 29 CO 0.00 0.38 0.00 0.27 -2.00 0.00 0.00 179.45 178.10 1uem n ASN 30 N -4.23 0.00 -4.58 7.07 0.23 -1.26 -1.58 115.26 110.91 1uem n ASN 30 Ca -0.01 -1.00 -0.28 0.00 -0.53 0.00 0.00 54.58 52.76 1uem n ASN 30 Cb 0.30 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.91 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 0.00 4.33 -0.02 0.53 0.01 -1.26 -1.04 113.70 116.24 1uem s SER 31 Ca 0.00 -0.49 -0.12 0.00 1.31 0.00 0.00 55.95 56.65 1uem s SER 31 Cb 0.00 -0.78 0.02 0.00 0.21 0.00 0.00 66.02 65.47 1uem s SER 31 CO 0.00 0.13 0.25 0.54 0.41 0.00 0.00 173.24 174.58 1uem s VAL 32 N -1.49 0.06 -0.12 3.43 0.11 -0.75 -0.94 120.40 120.69 1uem s VAL 32 Ca 0.23 -0.47 -0.01 0.00 -2.93 0.00 0.00 61.98 58.80 1uem s VAL 32 Cb -0.10 -0.53 -0.03 0.00 -1.53 0.00 0.00 36.38 34.20 1uem s VAL 32 CO 0.15 -0.26 -0.06 -0.89 -3.33 0.00 0.00 175.10 170.71 1uem s THR 33 N -1.12 3.70 -0.05 5.04 2.01 0.59 0.01 115.64 125.81 1uem s THR 33 Ca -0.12 -0.45 0.03 0.00 0.31 0.00 0.00 61.69 61.46 1uem s THR 33 Cb -0.05 -2.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 1uem s THR 33 CO 0.03 0.54 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.61 1uem s LEU 34 N -0.10 2.85 -0.04 4.42 1.43 -0.52 -1.19 118.68 125.53 1uem s LEU 34 Ca 0.01 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 1uem s LEU 34 Cb -0.13 -1.59 -0.00 0.00 0.03 0.00 0.00 46.19 44.50 1uem s LEU 34 CO 0.03 0.35 -0.15 -0.94 0.23 0.00 0.00 176.35 175.87 1uem s SER 35 N -0.76 1.89 0.24 2.29 1.04 -1.01 -0.78 113.70 116.60 1uem s SER 35 Ca 0.12 -0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.25 1uem s SER 35 Cb -0.11 -0.54 -0.04 0.00 0.10 0.00 0.00 66.02 65.44 1uem s SER 35 CO 0.01 0.12 0.15 -1.66 0.98 0.00 0.00 173.24 172.84 1uem s TRP 36 N 0.11 1.33 -0.04 5.02 -2.14 -0.40 0.29 118.94 123.12 1uem s TRP 36 Ca -0.04 -1.38 -0.00 0.00 2.66 0.00 0.00 56.10 57.33 1uem s TRP 36 Cb -0.11 -0.66 -0.04 0.00 -3.10 0.00 0.00 33.47 29.56 1uem s TRP 36 CO 0.02 -0.61 0.02 -0.65 -2.66 0.00 0.00 176.95 173.07 1uem s GLN 37 N -4.02 2.93 0.93 3.25 -0.21 -1.26 -4.78 119.66 116.50 1uem s GLN 37 Ca 0.39 -0.49 -0.13 0.00 0.02 0.00 0.00 55.36 55.15 1uem s GLN 37 Cb 0.06 -2.76 0.15 0.00 1.00 0.00 0.00 33.01 31.46 1uem s GLN 37 CO 0.15 0.66 1.14 -1.25 -2.12 0.00 0.00 175.29 173.87 1uem s PRO 38 N -1.30 0.96 0.68 2.91 0.04 -1.26 -2.01 135.00 135.02 1uem s PRO 38 Ca 0.17 0.28 -0.11 0.00 0.04 0.00 0.00 61.00 61.38 1uem s PRO 38 Cb -0.12 -1.82 0.17 0.00 0.04 0.00 0.00 34.50 32.77 1uem s PRO 38 CO 0.07 -2.32 0.65 0.41 0.04 0.00 0.00 177.00 175.85 1uem n GLY 39 N -2.09 -2.43 3.21 0.56 0.00 -1.26 -4.43 105.19 98.75 1uem n GLY 39 Ca 0.07 -1.51 -0.21 0.00 0.00 0.00 0.00 46.02 44.37 1uem n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uem s THR 40 N -2.22 1.33 1.08 2.61 2.01 -1.17 -4.96 115.64 114.33 1uem s THR 40 Ca 0.41 -1.34 -0.18 0.00 0.31 0.00 0.00 61.69 60.89 1uem s THR 40 Cb -0.04 -1.24 0.26 0.00 0.01 0.00 0.00 72.50 71.50 1uem s THR 40 CO 0.31 -0.12 1.24 -0.81 -0.69 0.00 0.00 174.62 174.54 1uem n PRO 41 N 1.33 -2.06 0.00 4.92 -0.04 -1.26 -1.04 135.00 136.85 1uem n PRO 41 Ca -0.20 -1.93 0.00 0.00 -0.04 0.00 0.00 63.50 61.33 1uem n PRO 41 Cb 0.54 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 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 -4.14 -0.17 0.16 0.55 0.00 -1.26 -4.76 105.19 95.57 1uem n GLY 42 Ca 0.16 0.45 -0.12 0.00 0.00 0.00 0.00 46.02 46.51 1uem n GLY 42 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1uem h THR 43 N 0.00 0.72 -2.98 2.61 1.35 -1.86 -3.46 112.91 109.29 1uem h THR 43 Ca 0.00 0.00 -0.44 0.00 -0.55 0.00 0.00 66.41 65.42 1uem h THR 43 Cb 0.00 0.72 -0.14 0.00 -1.73 0.00 0.00 68.15 67.00 1uem h THR 43 CO 0.00 0.00 -0.65 -0.76 -0.25 0.00 0.00 175.52 173.86 1uem s LEU 44 N -10.26 2.29 0.82 3.87 1.43 -1.26 -5.13 118.68 110.44 1uem s LEU 44 Ca -0.14 -1.24 -0.12 0.00 -1.03 0.00 0.00 54.13 51.59 1uem s LEU 44 Cb 0.07 -0.42 0.08 0.00 0.03 0.00 0.00 46.19 45.96 1uem s LEU 44 CO 0.66 -0.47 1.13 -2.16 0.23 0.00 0.00 176.35 175.73 1uem s PRO 45 N -3.82 1.89 0.12 1.29 0.04 -1.26 -4.68 135.00 128.58 1uem s PRO 45 Ca 0.31 0.38 -0.14 0.00 0.04 0.00 0.00 61.00 61.59 1uem s PRO 45 Cb 0.06 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.61 1uem s PRO 45 CO 0.11 -1.70 0.51 0.00 0.04 0.00 0.00 177.00 175.97 1uem s ALA 46 N -3.32 3.61 -0.18 8.56 0.00 -1.26 -4.48 121.76 124.69 1uem s ALA 46 Ca 0.62 -0.18 -0.14 0.00 0.00 0.00 0.00 51.96 52.25 1uem s ALA 46 Cb -0.13 -2.47 -0.08 0.00 0.00 0.00 0.00 23.12 20.44 1uem s ALA 46 CO 0.52 0.48 -0.20 0.43 0.00 0.00 0.00 175.76 176.99 1uem n SER 47 N 0.91 1.88 -1.24 0.00 7.64 0.27 -4.96 113.62 118.12 1uem n SER 47 Ca -0.06 0.47 -0.01 0.00 1.01 0.00 0.00 58.87 60.28 1uem n SER 47 Cb 0.52 -0.84 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 -3.95 -0.26 -2.52 -0.43 0.00 -1.12 -4.97 120.51 107.27 1uem n ALA 48 Ca -0.19 -0.15 -0.25 0.00 0.00 0.00 0.00 53.44 52.85 1uem n ALA 48 Cb 0.49 0.11 -0.10 0.00 0.00 0.00 0.00 19.45 19.94 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 -7.34 2.29 0.28 0.00 2.02 0.39 -0.12 117.35 114.86 1uem s TYR 49 Ca 0.02 -0.55 0.11 0.00 -0.37 0.00 0.00 57.07 56.29 1uem s TYR 49 Cb -0.01 -1.31 -0.05 0.00 -0.40 0.00 0.00 41.96 40.19 1uem s TYR 49 CO 0.01 0.51 -0.15 0.42 -1.57 0.00 0.00 175.55 174.78 1uem s ILE 50 N -2.71 2.75 -0.05 2.71 1.01 0.57 -0.42 121.20 125.05 1uem s ILE 50 Ca 0.32 -2.27 0.05 0.00 0.00 0.00 0.00 60.65 58.75 1uem s ILE 50 Cb 0.03 -2.45 -0.00 0.00 0.01 0.00 0.00 42.46 40.04 1uem s ILE 50 CO 0.15 -0.39 -0.19 -0.63 0.00 0.00 0.00 174.94 173.88 1uem s ILE 51 N -2.45 1.62 0.27 2.92 1.01 -0.73 -1.20 121.20 122.63 1uem s ILE 51 Ca 0.30 -0.81 0.08 0.00 0.00 0.00 0.00 60.65 60.22 1uem s ILE 51 Cb -0.05 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 1uem s ILE 51 CO 0.16 0.46 0.15 -1.61 0.00 0.00 0.00 174.94 174.10 1uem s GLU 52 N 0.07 2.68 0.11 2.79 2.02 -0.20 -1.30 118.70 124.88 1uem s GLU 52 Ca -0.06 -1.22 0.00 0.00 0.02 0.00 0.00 54.97 53.71 1uem s GLU 52 Cb -0.13 -2.41 -0.04 0.00 0.10 0.00 0.00 34.13 31.65 1uem s GLU 52 CO 0.03 0.33 -0.01 0.00 0.02 0.00 0.00 175.26 175.64 1uem s ALA 53 N -2.23 0.90 -0.10 5.21 0.00 -0.45 -1.63 121.76 123.47 1uem s ALA 53 Ca 0.34 -1.40 -0.10 0.00 0.00 0.00 0.00 51.96 50.80 1uem s ALA 53 Cb -0.07 0.46 0.03 0.00 0.00 0.00 0.00 23.12 23.54 1uem s ALA 53 CO 0.24 -0.36 0.29 0.12 0.00 0.00 0.00 175.76 176.05 1uem s PHE 54 N -3.82 -0.30 -0.24 0.00 2.19 -1.05 -0.92 117.98 113.84 1uem s PHE 54 Ca 0.16 0.72 -0.09 0.00 0.33 0.00 0.00 56.93 58.05 1uem s PHE 54 Cb 0.07 0.10 0.10 0.00 -1.31 0.00 0.00 43.02 41.98 1uem s PHE 54 CO -0.03 -0.17 0.53 -1.12 1.83 0.00 0.00 175.22 176.26 1uem s SER 55 N 0.00 -0.68 0.38 6.13 0.01 -1.26 -0.73 113.70 117.56 1uem s SER 55 Ca -0.01 1.26 0.05 0.00 1.31 0.00 0.00 55.95 58.55 1uem s SER 55 Cb -0.02 1.70 0.74 0.00 0.21 0.00 0.00 66.02 68.65 1uem s SER 55 CO 0.01 -0.23 2.01 -0.61 0.41 0.00 0.00 173.24 174.83 1uem h GLN 56 N 7.95 0.63 -0.70 12.44 4.15 -1.86 -1.32 115.11 136.40 1uem h GLN 56 Ca -0.19 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.18 1uem h GLN 56 Cb 1.12 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.67 1uem h GLN 56 CO 0.13 0.45 0.00 0.45 -1.93 0.00 0.00 178.83 177.93 1uem n SER 57 N -4.43 1.88 0.00 -0.69 2.88 -1.26 -4.37 113.62 107.63 1uem n SER 57 Ca 0.04 -2.17 0.00 0.00 -1.33 0.00 0.00 58.87 55.41 1uem n SER 57 Cb 0.09 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 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 0.13 0.00 -3.79 2.46 0.31 -0.52 -5.08 118.33 111.83 1uem n VAL 58 Ca 0.07 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.27 1uem n VAL 58 Cb 0.40 -0.56 -0.10 0.00 -0.91 0.00 0.00 33.84 32.68 1uem n VAL 58 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1uem s SER 59 N -2.48 -0.17 0.00 4.52 0.15 -1.06 -5.05 113.70 109.61 1uem s SER 59 Ca 0.00 0.17 0.11 0.00 0.70 0.00 0.00 55.95 56.93 1uem s SER 59 Cb 0.00 0.37 0.62 0.00 -1.71 0.00 0.00 66.02 65.31 1uem s SER 59 CO 0.00 -0.31 1.08 0.59 1.20 0.00 0.00 173.24 175.80 1uem n ASN 60 N 1.89 0.00 -4.88 5.45 4.13 -1.26 -4.13 115.26 116.46 1uem n ASN 60 Ca -0.19 -0.30 -0.25 0.00 1.68 0.00 0.00 54.58 55.51 1uem n ASN 60 Cb 0.57 -0.02 -0.04 0.00 -1.54 0.00 0.00 39.78 38.75 1uem n ASN 60 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1uem s SER 61 N -2.03 5.96 0.19 6.41 0.01 -1.26 -4.99 113.70 117.99 1uem s SER 61 Ca 0.15 0.02 -0.30 0.00 1.31 0.00 0.00 55.95 57.13 1uem s SER 61 Cb 0.07 -1.69 -0.08 0.00 0.21 0.00 0.00 66.02 64.54 1uem s SER 61 CO 0.12 0.04 1.12 0.26 0.41 0.00 0.00 173.24 175.20 1uem s TRP 62 N -1.79 3.55 0.09 2.43 0.52 -1.26 -4.37 118.94 118.12 1uem s TRP 62 Ca 0.33 1.57 0.04 0.00 0.02 0.00 0.00 56.10 58.05 1uem s TRP 62 Cb -0.10 -3.31 -0.04 0.00 -1.15 0.00 0.00 33.47 28.87 1uem s TRP 62 CO 0.26 -0.74 -0.10 -0.65 0.02 0.00 0.00 176.95 175.74 1uem s GLN 63 N -0.45 0.83 0.13 4.98 -0.21 -0.09 -4.99 119.66 119.86 1uem s GLN 63 Ca 0.50 -1.14 -0.31 0.00 0.02 0.00 0.00 55.36 54.42 1uem s GLN 63 Cb -0.30 -0.52 -0.08 0.00 1.00 0.00 0.00 33.01 33.11 1uem s GLN 63 CO 0.36 0.08 1.38 0.99 -2.12 0.00 0.00 175.29 175.98 1uem s THR 64 N -2.42 3.26 0.00 -0.19 2.01 -1.26 -1.34 115.64 115.70 1uem s THR 64 Ca 0.05 0.92 0.00 0.00 0.31 0.00 0.00 61.69 62.97 1uem s THR 64 Cb -0.03 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.89 1uem s THR 64 CO -0.00 0.08 0.05 1.33 -0.69 0.00 0.00 174.62 175.39 1uem n VAL 65 N 3.75 0.00 -3.76 3.82 0.24 -0.42 -4.90 118.33 117.06 1uem n VAL 65 Ca 0.11 -0.16 -0.12 0.00 -2.04 0.00 0.00 64.34 62.13 1uem n VAL 65 Cb 0.42 1.22 -0.08 0.00 -1.47 0.00 0.00 33.84 33.93 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 -0.22 -0.70 -0.00 2.33 0.00 -0.92 -4.86 121.76 117.40 1uem s ALA 66 Ca 0.00 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.10 1uem s ALA 66 Cb 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 1uem s ALA 66 CO 0.00 -0.34 -0.06 1.21 0.00 0.00 0.00 175.76 176.57 1uem s ASN 67 N -1.74 0.66 -1.43 0.00 3.84 -1.26 -1.78 114.94 113.23 1uem s ASN 67 Ca -0.09 -0.14 -0.08 0.00 0.21 0.00 0.00 52.86 52.76 1uem s ASN 67 Cb -0.03 -0.06 0.05 0.00 -0.55 0.00 0.00 41.25 40.66 1uem s ASN 67 CO -0.00 0.04 0.91 1.41 -2.79 0.00 0.00 177.10 176.68 1uem n HIS 68 N 2.81 -2.23 -2.28 0.43 8.25 -0.55 -4.93 115.22 116.72 1uem n HIS 68 Ca -0.14 0.90 -0.42 0.00 -0.26 0.00 0.00 57.72 57.80 1uem n HIS 68 Cb 0.58 -4.27 -0.03 0.00 1.12 0.00 0.00 29.99 27.39 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 -3.43 3.80 -0.67 1.59 1.01 0.43 -4.71 120.40 118.43 1uem s VAL 69 Ca 0.41 1.21 0.15 0.00 0.00 0.00 0.00 61.98 63.74 1uem s VAL 69 Cb -0.20 -3.77 0.50 0.00 0.00 0.00 0.00 36.38 32.91 1uem s VAL 69 CO 0.81 0.02 1.42 0.29 0.00 0.00 0.00 175.10 177.64 1uem n LYS 70 N 5.05 3.15 -4.49 2.72 5.02 -1.26 -0.46 118.16 127.89 1uem n LYS 70 Ca 0.12 -2.58 -0.24 0.00 -2.02 0.00 0.00 58.31 53.59 1uem n LYS 70 Cb 0.44 -1.66 -0.09 0.00 -0.02 0.00 0.00 35.03 33.70 1uem n LYS 70 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1uem s THR 71 N -1.95 0.77 -0.70 -0.18 -1.32 -1.26 -5.06 115.64 105.94 1uem s THR 71 Ca 0.38 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 58.94 1uem s THR 71 Cb 0.26 -2.48 -0.02 0.00 -1.51 0.00 0.00 72.50 68.75 1uem s THR 71 CO 0.15 0.00 0.53 0.35 -2.21 0.00 0.00 174.62 173.44 1uem n THR 72 N -0.83 0.00 -3.87 5.08 -2.24 -1.26 -4.93 114.28 106.23 1uem n THR 72 Ca -0.05 -0.39 -0.21 0.00 -2.27 0.00 0.00 64.05 61.12 1uem n THR 72 Cb 0.66 1.08 -0.17 0.00 -2.10 0.00 0.00 70.33 69.79 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 -1.69 0.79 -0.11 3.22 2.96 -1.26 -1.27 118.68 121.32 1uem s LEU 73 Ca 0.06 -0.08 -0.04 0.00 -0.22 0.00 0.00 54.13 53.85 1uem s LEU 73 Cb 0.07 -0.40 0.06 0.00 0.50 0.00 0.00 46.19 46.41 1uem s LEU 73 CO 0.24 -0.16 0.23 -0.47 -1.32 0.00 0.00 176.35 174.87 1uem s TYR 74 N 1.64 -0.35 -0.52 5.38 6.14 0.04 -4.99 117.35 124.70 1uem s TYR 74 Ca -0.00 0.86 -0.27 0.00 0.64 0.00 0.00 57.07 58.29 1uem s TYR 74 Cb -0.13 -0.09 -0.02 0.00 0.42 0.00 0.00 41.96 42.15 1uem s TYR 74 CO -0.04 -0.32 1.80 0.99 0.64 0.00 0.00 175.55 178.62 1uem s THR 75 N 2.26 3.44 0.60 4.34 2.01 -1.26 -1.44 115.64 125.59 1uem s THR 75 Ca 0.00 0.35 -0.19 0.00 0.31 0.00 0.00 61.69 62.16 1uem s THR 75 Cb -0.12 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 1uem s THR 75 CO -0.08 -0.76 1.31 -0.69 -0.69 0.00 0.00 174.62 173.71 1uem s VAL 76 N 8.12 2.11 0.28 3.82 1.01 0.10 -4.91 120.40 130.92 1uem s VAL 76 Ca 0.70 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.79 1uem s VAL 76 Cb -0.15 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1uem s VAL 76 CO 0.25 -0.01 0.22 -0.13 0.00 0.00 0.00 175.10 175.43 1uem s ARG 77 N -3.20 1.52 0.00 2.72 0.52 -1.26 -1.82 118.95 117.44 1uem s ARG 77 Ca 0.78 -1.85 0.00 0.00 -0.52 0.00 0.00 55.73 54.14 1uem s ARG 77 Cb -0.38 0.31 0.00 0.00 0.52 0.00 0.00 34.95 35.40 1uem s ARG 77 CO 0.42 -0.54 0.00 0.41 0.02 0.00 0.00 175.30 175.61 1uem n GLY 78 N -0.47 0.54 0.62 -3.53 0.00 -0.49 -4.87 105.19 96.99 1uem n GLY 78 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.43 0.99 4.77 -0.21 -5.05 117.00 113.07 1uem n LEU 79 Ca 0.00 -0.22 -0.33 0.00 -0.03 0.00 0.00 56.01 55.43 1uem n LEU 79 Cb 0.05 -0.17 -0.13 0.00 -2.33 0.00 0.00 43.42 40.83 1uem n LEU 79 CO 0.00 -0.94 -0.43 -0.13 -1.33 0.00 0.00 177.39 174.56 1uem s ARG 80 N -3.46 3.19 0.82 3.23 0.52 -1.26 -4.68 118.95 117.32 1uem s ARG 80 Ca 0.12 -0.65 -0.13 0.00 -0.52 0.00 0.00 55.73 54.55 1uem s ARG 80 Cb -0.01 -2.62 0.08 0.00 0.52 0.00 0.00 34.95 32.93 1uem s ARG 80 CO 0.09 0.34 1.14 -2.30 0.02 0.00 0.00 175.30 174.59 1uem n PRO 81 N 3.16 0.09 -3.21 3.54 -0.02 -0.61 -3.48 135.00 134.46 1uem n PRO 81 Ca -0.18 0.11 -0.16 0.00 -2.02 0.00 0.00 63.50 61.25 1uem n PRO 81 Cb 0.53 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.60 1uem n PRO 81 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1uem n ASN 82 N -3.19 -1.68 -4.26 2.55 5.15 -0.43 -4.93 115.26 108.48 1uem n ASN 82 Ca 0.13 -0.14 -0.31 0.00 -0.60 0.00 0.00 54.58 53.66 1uem n ASN 82 Cb 0.51 -1.51 -0.16 0.00 -0.53 0.00 0.00 39.78 38.08 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 -2.51 1.99 0.47 -0.44 2.01 -1.23 -4.91 115.64 111.03 1uem s THR 83 Ca 0.30 -1.03 -0.21 0.00 0.31 0.00 0.00 61.69 61.05 1uem s THR 83 Cb -0.17 -1.68 -0.08 0.00 0.01 0.00 0.00 72.50 70.58 1uem s THR 83 CO 0.37 0.55 1.08 -0.63 -0.69 0.00 0.00 174.62 175.30 1uem s ILE 84 N -0.18 3.54 0.01 1.82 -1.09 -1.26 -1.94 121.20 122.10 1uem s ILE 84 Ca -0.02 1.04 -0.02 0.00 -2.23 0.00 0.00 60.65 59.41 1uem s ILE 84 Cb -0.13 -3.46 -0.01 0.00 -1.58 0.00 0.00 42.46 37.27 1uem s ILE 84 CO 0.03 -0.14 0.02 -0.31 -1.23 0.00 0.00 174.94 173.32 1uem s TYR 85 N -1.80 0.18 0.27 3.97 1.51 -0.32 -4.71 117.35 116.45 1uem s TYR 85 Ca 0.66 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 56.41 1uem s TYR 85 Cb -0.21 -0.14 -0.04 0.00 -0.11 0.00 0.00 41.96 41.46 1uem s TYR 85 CO 0.25 -0.21 0.16 -0.51 -1.11 0.00 0.00 175.55 174.13 1uem s LEU 86 N -1.37 3.63 -0.01 -1.29 1.43 0.09 -0.91 118.68 120.26 1uem s LEU 86 Ca -0.15 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 52.53 1uem s LEU 86 Cb -0.09 -2.16 -0.00 0.00 0.03 0.00 0.00 46.19 43.97 1uem s LEU 86 CO -0.00 -0.08 0.06 -0.36 0.23 0.00 0.00 176.35 176.20 1uem s PHE 87 N -2.21 0.03 0.10 0.29 0.08 -1.26 -2.53 117.98 112.48 1uem s PHE 87 Ca 0.34 -0.05 0.05 0.00 0.12 0.00 0.00 56.93 57.39 1uem s PHE 87 Cb -0.07 -0.04 -0.03 0.00 -0.57 0.00 0.00 43.02 42.30 1uem s PHE 87 CO 0.24 -0.13 -0.13 -1.64 -0.10 0.00 0.00 175.22 173.46 1uem s MET 88 N -0.62 0.93 0.04 0.44 -1.94 -0.64 -1.47 119.30 116.04 1uem s MET 88 Ca -0.07 -1.14 0.00 0.00 -1.71 0.00 0.00 55.69 52.77 1uem s MET 88 Cb -0.04 -0.81 -0.04 0.00 2.01 0.00 0.00 34.83 35.95 1uem s MET 88 CO 0.00 0.16 0.15 0.08 -0.01 0.00 0.00 175.02 175.40 1uem s VAL 89 N -1.96 5.08 -0.03 -6.03 1.01 -1.26 -1.03 120.40 116.18 1uem s VAL 89 Ca 0.05 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1uem s VAL 89 Cb -0.06 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1uem s VAL 89 CO 0.02 0.22 -0.10 -0.13 0.00 0.00 0.00 175.10 175.11 1uem s ARG 90 N -2.21 0.99 0.34 2.72 0.52 -0.34 -1.19 118.95 119.77 1uem s ARG 90 Ca 0.30 -0.33 -0.12 0.00 -0.52 0.00 0.00 55.73 55.06 1uem s ARG 90 Cb -0.13 -0.92 -0.07 0.00 0.52 0.00 0.00 34.95 34.35 1uem s ARG 90 CO 0.22 0.13 0.71 0.00 0.02 0.00 0.00 175.30 176.38 1uem s ALA 91 N 0.15 3.39 0.09 2.13 0.00 -1.26 -0.32 121.76 125.94 1uem s ALA 91 Ca -0.03 -0.14 0.09 0.00 0.00 0.00 0.00 51.96 51.89 1uem s ALA 91 Cb -0.08 -2.67 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 1uem s ALA 91 CO 0.00 0.22 -0.23 0.42 0.00 0.00 0.00 175.76 176.17 1uem s ILE 92 N -2.12 1.92 0.34 0.00 1.01 0.82 -1.13 121.20 122.05 1uem s ILE 92 Ca 0.51 -1.51 -0.03 0.00 0.00 0.00 0.00 60.65 59.62 1uem s ILE 92 Cb -0.10 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.67 1uem s ILE 92 CO 0.24 0.10 0.48 0.54 0.00 0.00 0.00 174.94 176.30 1uem s ASN 93 N -1.71 0.84 0.00 3.58 4.22 -0.97 -0.57 114.94 120.34 1uem s ASN 93 Ca 0.10 -1.45 0.02 0.00 -2.14 0.00 0.00 52.86 49.39 1uem s ASN 93 Cb -0.10 0.66 0.13 0.00 1.28 0.00 0.00 41.25 43.23 1uem s ASN 93 CO 0.04 -1.30 0.75 -2.65 -2.04 0.00 0.00 177.10 171.89 1uem n PRO 94 N -0.55 0.05 0.00 3.55 -0.02 -1.26 -3.56 135.00 133.21 1uem n PRO 94 Ca 0.01 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1uem n PRO 94 Cb 0.62 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 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 -1.13 3.07 -3.33 -0.52 1.13 -1.26 -5.14 117.38 110.19 1uem n GLN 95 Ca 0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 1uem n GLN 95 Cb 0.01 -0.63 0.00 0.00 0.11 0.00 0.00 30.24 29.73 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 1.11 -1.57 3.86 1.08 0.00 -1.23 -5.09 105.19 103.34 1uem n GLY 96 Ca 0.00 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 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 3.98 0.95 0.99 1.02 -1.26 -2.29 118.68 122.07 1uem s LEU 97 Ca 0.00 1.22 -0.12 0.00 0.02 0.00 0.00 54.13 55.25 1uem s LEU 97 Cb 0.00 -4.05 0.16 0.00 0.02 0.00 0.00 46.19 42.32 1uem s LEU 97 CO 0.00 -0.27 1.10 -0.94 0.02 0.00 0.00 176.35 176.26 1uem s SER 98 N -2.59 3.06 0.49 2.29 1.04 -0.28 -4.99 113.70 112.71 1uem s SER 98 Ca 0.53 1.17 -0.19 0.00 0.48 0.00 0.00 55.95 57.94 1uem s SER 98 Cb -0.10 -1.82 -0.14 0.00 0.10 0.00 0.00 66.02 64.06 1uem s SER 98 CO 0.22 -2.86 0.08 0.47 0.98 0.00 0.00 173.24 172.14 1uem n ASP 99 N -3.99 -2.83 -4.76 7.02 8.00 -1.26 -4.73 116.55 113.99 1uem n ASP 99 Ca 0.06 0.72 -0.30 0.00 0.71 0.00 0.00 54.79 55.98 1uem n ASP 99 Cb 0.57 -0.93 0.11 0.00 -0.02 0.00 0.00 41.12 40.85 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 -1.23 1.76 0.99 -0.24 0.04 -1.26 -4.53 135.00 130.53 1uem s PRO 100 Ca 0.60 0.78 -0.12 0.00 0.04 0.00 0.00 61.00 62.30 1uem s PRO 100 Cb -0.53 -1.87 0.19 0.00 0.04 0.00 0.00 34.50 32.33 1uem s PRO 100 CO 0.63 -1.88 1.08 -1.54 0.04 0.00 0.00 177.00 175.33 1uem s SER 101 N -3.64 2.58 0.55 6.66 1.04 -0.34 -4.77 113.70 115.79 1uem s SER 101 Ca 0.62 1.45 -0.18 0.00 0.48 0.00 0.00 55.95 58.32 1uem s SER 101 Cb -0.16 -2.13 -0.10 0.00 0.10 0.00 0.00 66.02 63.73 1uem s SER 101 CO 0.56 -3.20 0.42 -2.65 0.98 0.00 0.00 173.24 169.35 1uem n PRO 102 N -4.24 0.43 -2.03 4.02 -0.02 -1.26 -4.74 135.00 127.15 1uem n PRO 102 Ca 0.06 0.17 -0.39 0.00 -2.02 0.00 0.00 63.50 61.31 1uem n PRO 102 Cb 0.55 -1.58 -0.00 0.00 -0.02 0.00 0.00 33.50 32.45 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 -1.90 3.88 0.62 -0.52 -1.94 -1.26 -4.48 119.30 113.71 1uem s MET 103 Ca 0.67 2.15 0.30 0.00 -1.71 0.00 0.00 55.69 57.10 1uem s MET 103 Cb -0.46 -2.70 1.62 0.00 2.01 0.00 0.00 34.83 35.31 1uem s MET 103 CO 0.56 -0.56 1.97 1.03 -0.01 0.00 0.00 175.02 178.01 1uem h SER 104 N 2.54 0.00 -3.85 3.03 0.87 -1.56 -3.46 113.55 111.12 1uem h SER 104 Ca -0.50 0.00 0.09 0.00 -1.23 0.00 0.00 61.79 60.16 1uem h SER 104 Cb 1.25 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.16 1uem h SER 104 CO 0.62 0.00 -0.71 -0.67 -0.53 0.00 0.00 176.83 175.54 1uem n ASP 105 N -3.36 -5.27 -4.60 6.23 2.03 -1.26 -4.86 116.55 105.46 1uem n ASP 105 Ca 0.02 1.10 -0.43 0.00 0.52 0.00 0.00 54.79 56.00 1uem n ASP 105 Cb 0.45 -3.03 -0.03 0.00 -0.72 0.00 0.00 41.12 37.80 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 -4.48 3.38 0.75 -0.67 0.04 -1.26 -4.75 135.00 128.02 1uem s PRO 106 Ca 0.00 1.38 -0.11 0.00 0.04 0.00 0.00 61.00 62.31 1uem s PRO 106 Cb 0.00 -4.17 0.04 0.00 0.04 0.00 0.00 34.50 30.41 1uem s PRO 106 CO 0.00 -1.80 1.08 0.54 0.04 0.00 0.00 177.00 176.86 1uem s VAL 107 N 6.64 3.50 -0.07 -0.36 0.11 -0.08 -4.87 120.40 125.26 1uem s VAL 107 Ca 0.77 0.49 0.05 0.00 -2.93 0.00 0.00 61.98 60.36 1uem s VAL 107 Cb -0.21 -3.25 -0.00 0.00 -1.53 0.00 0.00 36.38 31.38 1uem s VAL 107 CO 0.34 -0.63 -0.23 -0.60 -3.33 0.00 0.00 175.10 170.65 1uem s ARG 108 N -5.13 2.49 1.14 1.54 3.52 -1.26 -1.17 118.95 120.08 1uem s ARG 108 Ca 0.59 -0.81 -0.13 0.00 -0.13 0.00 0.00 55.73 55.25 1uem s ARG 108 Cb -0.14 -2.04 0.27 0.00 -1.56 0.00 0.00 34.95 31.48 1uem s ARG 108 CO 0.54 0.28 1.04 0.95 -0.81 0.00 0.00 175.30 177.30 1uem s THR 109 N 0.06 2.02 0.00 4.11 -4.23 -0.82 -4.96 115.64 111.82 1uem s THR 109 Ca -0.09 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 1uem s THR 109 Cb -0.15 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.55 1uem s THR 109 CO 0.05 -0.01 0.00 0.00 -0.54 0.00 0.00 174.62 174.12 1uem n GLN 110 N -4.80 0.00 -3.88 3.99 6.02 -0.48 -4.09 117.38 114.13 1uem n GLN 110 Ca 0.03 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.93 1uem n GLN 110 Cb 0.55 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.75 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 -1.00 -0.10 -0.07 1.08 -1.08 -1.26 -1.32 116.67 112.93 1uem s ASP 111 Ca 0.00 -0.73 0.03 0.00 -0.52 0.00 0.00 52.55 51.33 1uem s ASP 111 Cb 0.00 0.52 0.21 0.00 -1.46 0.00 0.00 42.92 42.19 1uem s ASP 111 CO 0.00 -1.00 0.86 -0.24 0.52 0.00 0.00 175.17 175.31 1uem n SER 112 N -0.29 2.31 -4.32 -0.34 2.88 -1.26 -4.20 113.62 108.40 1uem n SER 112 Ca -0.07 -2.26 -0.29 0.00 -1.33 0.00 0.00 58.87 54.92 1uem n SER 112 Cb 0.63 -0.55 0.18 0.00 -0.75 0.00 0.00 64.21 63.71 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 -0.15 1.65 0.40 0.46 0.00 -1.26 -5.01 107.32 103.41 1uem s GLY 113 Ca 0.14 -0.88 0.21 0.00 0.00 0.00 0.00 44.72 44.19 1uem s GLY 113 CO 0.04 -0.17 1.56 -0.56 0.00 0.00 0.00 173.10 173.97 1uem h PRO 114 N -1.79 0.00 -6.10 2.90 0.13 -2.07 -3.49 132.00 121.58 1uem h PRO 114 Ca -0.47 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.24 1uem h PRO 114 Cb 1.29 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.46 1uem h PRO 114 CO 0.47 0.14 -0.81 0.43 -0.23 0.00 0.00 178.00 178.00 1uem n SER 115 N -3.13 -1.92 -4.58 1.44 7.64 -1.26 -4.97 113.62 106.83 1uem n SER 115 Ca 0.03 -0.80 -0.42 0.00 1.01 0.00 0.00 58.87 58.70 1uem n SER 115 Cb 0.59 -4.09 -0.03 0.00 -1.01 0.00 0.00 64.21 59.68 1uem n SER 115 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1uem s SER 116 N -4.16 6.08 0.00 6.43 0.01 -1.26 -5.27 113.70 115.52 1uem s SER 116 Ca 0.13 0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.97 1uem s SER 116 Cb -0.06 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1uem s SER 116 CO 0.81 -1.69 0.00 0.61 0.41 0.00 0.00 173.24 173.38