#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5o s SER 2 N 0.00 5.09 0.50 1.61 0.01 -1.26 -5.10 113.70 114.55 1x5o s SER 2 Ca 0.00 -0.25 -0.21 0.00 1.31 0.00 0.00 55.95 56.80 1x5o s SER 2 Cb 0.00 -1.20 -0.07 0.00 0.21 0.00 0.00 66.02 64.96 1x5o s SER 2 CO 0.00 0.11 1.14 -0.44 0.41 0.00 0.00 173.24 174.45 1x5o s SER 3 N -2.83 5.97 0.00 2.44 0.01 -1.26 -4.49 113.70 113.54 1x5o s SER 3 Ca 0.28 2.21 0.00 0.00 1.31 0.00 0.00 55.95 59.75 1x5o s SER 3 Cb -0.10 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.54 1x5o s SER 3 CO 0.20 -1.05 0.00 0.61 0.41 0.00 0.00 173.24 173.41 1x5o n GLY 4 N 0.26 0.71 3.20 3.44 0.00 -1.26 -5.06 105.19 106.48 1x5o n GLY 4 Ca 0.10 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 1x5o n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5o s SER 5 N -2.26 5.73 -0.30 1.61 1.04 -1.26 -5.00 113.70 113.27 1x5o s SER 5 Ca 0.00 -2.17 -0.12 0.00 0.48 0.00 0.00 55.95 54.14 1x5o s SER 5 Cb 0.00 -2.00 0.17 0.00 0.10 0.00 0.00 66.02 64.29 1x5o s SER 5 CO 0.00 -0.62 0.89 -0.55 0.98 0.00 0.00 173.24 173.94 1x5o s SER 6 N 2.25 -0.75 -0.05 7.02 0.15 -1.26 -5.09 113.70 115.97 1x5o s SER 6 Ca 0.09 0.83 -0.08 0.00 0.70 0.00 0.00 55.95 57.49 1x5o s SER 6 Cb -0.23 1.78 -0.03 0.00 -1.71 0.00 0.00 66.02 65.83 1x5o s SER 6 CO -0.02 -0.14 -0.16 0.61 1.20 0.00 0.00 173.24 174.72 1x5o n GLY 7 N 5.20 -0.30 3.51 9.45 0.00 -1.26 -4.97 105.19 116.81 1x5o n GLY 7 Ca -0.08 -0.15 -0.62 0.00 0.00 0.00 0.00 46.02 45.17 1x5o n GLY 7 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x5o n LEU 8 N -3.76 1.26 -4.48 0.99 7.94 -1.26 -4.89 117.00 112.80 1x5o n LEU 8 Ca -0.06 0.89 -0.39 0.00 -1.11 0.00 0.00 56.01 55.33 1x5o n LEU 8 Cb 0.24 -0.96 -0.11 0.00 0.53 0.00 0.00 43.42 43.12 1x5o n LEU 8 CO 0.10 -0.75 -0.18 -0.75 -1.11 0.00 0.00 177.39 174.70 1x5o s LYS 9 N 4.64 3.44 -0.61 1.96 2.20 -1.26 -5.02 119.74 125.09 1x5o s LYS 9 Ca 1.11 -0.66 -0.26 0.00 -0.36 0.00 0.00 55.97 55.80 1x5o s LYS 9 Cb -1.38 -3.65 -0.10 0.00 -1.51 0.00 0.00 37.83 31.18 1x5o s LYS 9 CO 0.70 -0.41 2.43 0.00 -0.36 0.00 0.00 175.35 177.71 1x5o n ALA 10 N 5.03 0.64 -2.56 3.13 0.00 -1.26 -4.90 120.51 120.59 1x5o n ALA 10 Ca -0.13 -1.04 -0.26 0.00 0.00 0.00 0.00 53.44 52.01 1x5o n ALA 10 Cb 0.50 -3.18 -0.10 0.00 0.00 0.00 0.00 19.45 16.67 1x5o n ALA 10 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x5o s SER 11 N 11.50 3.20 0.05 0.00 0.15 -1.26 -5.17 113.70 122.17 1x5o s SER 11 Ca 0.99 -1.44 0.03 0.00 0.70 0.00 0.00 55.95 56.23 1x5o s SER 11 Cb -0.23 -0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 63.99 1x5o s SER 11 CO 0.23 -0.61 -0.10 -0.83 1.20 0.00 0.00 173.24 173.13 1x5o s GLY 12 N -3.63 0.62 0.16 9.45 0.00 -1.26 -5.15 107.32 107.51 1x5o s GLY 12 Ca 0.31 -0.86 -0.11 0.00 0.00 0.00 0.00 44.72 44.06 1x5o s GLY 12 CO 0.15 -0.91 0.49 -1.34 0.00 0.00 0.00 173.10 171.49 1x5o s VAL 13 N -1.44 4.98 0.00 1.40 -7.23 -1.26 -5.10 120.40 111.75 1x5o s VAL 13 Ca -0.07 0.52 0.03 0.00 -1.81 0.00 0.00 61.98 60.66 1x5o s VAL 13 Cb -0.09 -3.66 -0.01 0.00 0.56 0.00 0.00 36.38 33.17 1x5o s VAL 13 CO 0.01 0.13 -0.11 -1.58 -0.31 0.00 0.00 175.10 173.24 1x5o s GLN 14 N -2.31 0.85 0.36 4.82 2.00 -1.26 -5.15 119.66 118.97 1x5o s GLN 14 Ca 0.40 -0.46 0.05 0.00 -2.00 0.00 0.00 55.36 53.35 1x5o s GLN 14 Cb -0.13 -0.82 -0.02 0.00 0.80 0.00 0.00 33.01 32.84 1x5o s GLN 14 CO 0.20 0.22 0.18 0.00 -0.50 0.00 0.00 175.29 175.39 1x5o n ALA 15 N 2.59 0.59 -1.63 1.58 0.00 -1.26 -5.09 120.51 117.29 1x5o n ALA 15 Ca -0.15 -1.93 -0.43 0.00 0.00 0.00 0.00 53.44 50.93 1x5o n ALA 15 Cb 0.56 1.38 -0.03 0.00 0.00 0.00 0.00 19.45 21.36 1x5o n ALA 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1x5o n GLN 16 N -0.78 2.37 -4.40 0.00 1.13 -1.26 -4.97 117.38 109.47 1x5o n GLN 16 Ca -0.01 0.78 -0.25 0.00 -1.94 0.00 0.00 57.00 55.58 1x5o n GLN 16 Cb 0.58 -3.07 -0.10 0.00 0.11 0.00 0.00 30.24 27.76 1x5o n GLN 16 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1x5o s MET 17 N 5.34 1.81 -0.44 -1.09 -1.94 -1.26 -5.11 119.30 116.61 1x5o s MET 17 Ca 0.95 -1.57 -0.15 0.00 -1.71 0.00 0.00 55.69 53.22 1x5o s MET 17 Cb -0.42 -1.92 0.05 0.00 2.01 0.00 0.00 34.83 34.55 1x5o s MET 17 CO 0.40 0.37 0.34 0.00 -0.01 0.00 0.00 175.02 176.12 1x5o s ALA 18 N -2.14 3.49 0.26 3.03 0.00 -1.26 -4.96 121.76 120.19 1x5o s ALA 18 Ca 0.27 -1.92 -0.05 0.00 0.00 0.00 0.00 51.96 50.26 1x5o s ALA 18 Cb -0.07 -2.94 0.52 0.00 0.00 0.00 0.00 23.12 20.63 1x5o s ALA 18 CO 0.15 -1.59 1.62 1.57 0.00 0.00 0.00 175.76 177.51 1x5o h LYS 19 N 8.66 0.08 -6.10 0.00 2.10 -2.03 -3.40 116.57 115.88 1x5o h LYS 19 Ca -0.27 -0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 57.83 1x5o h LYS 19 Cb 1.11 -0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 32.39 1x5o h LYS 19 CO 0.80 0.05 -0.49 1.14 -2.00 0.00 0.00 179.45 178.95 1x5o s GLN 20 N -6.09 3.29 -0.29 0.07 -2.07 -1.26 -5.09 119.66 108.21 1x5o s GLN 20 Ca -0.13 -0.70 -0.12 0.00 -1.82 0.00 0.00 55.36 52.59 1x5o s GLN 20 Cb 0.24 -2.86 -0.04 0.00 -1.09 0.00 0.00 33.01 29.25 1x5o s GLN 20 CO 0.76 0.50 0.22 -1.14 -1.32 0.00 0.00 175.29 174.31 1x5o s GLN 21 N -3.29 3.88 1.16 9.60 0.74 -1.26 -5.08 119.66 125.41 1x5o s GLN 21 Ca 0.34 -0.33 -0.13 0.00 0.05 0.00 0.00 55.36 55.29 1x5o s GLN 21 Cb -0.10 -3.69 0.27 0.00 1.10 0.00 0.00 33.01 30.59 1x5o s GLN 21 CO 0.27 -0.24 0.97 -0.85 -0.55 0.00 0.00 175.29 174.89 1x5o n GLU 22 N 5.11 -2.31 -3.81 1.67 0.00 -1.26 -5.05 120.64 114.99 1x5o n GLU 22 Ca -0.13 -0.64 -0.14 0.00 0.00 0.00 0.00 57.16 56.24 1x5o n GLU 22 Cb 0.51 -2.15 -0.15 0.00 0.00 0.00 0.00 31.44 29.65 1x5o n GLU 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.13 175.99 1x5o s GLN 23 N -4.36 -0.01 -1.01 3.44 0.74 -1.26 -4.88 119.66 112.33 1x5o s GLN 23 Ca 0.68 0.13 -0.01 0.00 0.05 0.00 0.00 55.36 56.20 1x5o s GLN 23 Cb -0.25 -0.20 -0.02 0.00 1.10 0.00 0.00 33.01 33.65 1x5o s GLN 23 CO 0.65 -0.12 0.85 -3.47 -0.55 0.00 0.00 175.29 172.65 1x5o n ASP 24 N 3.87 -3.09 0.00 6.67 2.03 -1.26 -3.47 116.55 121.30 1x5o n ASP 24 Ca -0.23 -0.56 0.08 0.00 0.52 0.00 0.00 54.79 54.59 1x5o n ASP 24 Cb 0.53 -4.54 0.43 0.00 -0.72 0.00 0.00 41.12 36.82 1x5o n ASP 24 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1x5o n PRO 25 N -3.53 0.40 -0.34 -0.67 -0.04 -1.26 -3.56 135.00 126.00 1x5o n PRO 25 Ca -0.20 0.04 0.17 0.00 -0.04 0.00 0.00 63.50 63.47 1x5o n PRO 25 Cb 0.64 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.97 1x5o n PRO 25 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1x5o h THR 26 N 0.00 0.59 -3.33 0.52 1.35 -1.89 -3.39 112.91 106.76 1x5o h THR 26 Ca 0.00 -0.21 -0.56 0.00 -0.55 0.00 0.00 66.41 65.09 1x5o h THR 26 Cb 0.04 -0.08 -0.04 0.00 -1.73 0.00 0.00 68.15 66.34 1x5o h THR 26 CO 0.00 0.11 0.42 0.20 -0.25 0.00 0.00 175.52 176.01 1x5o s ASN 27 N -5.28 7.21 -0.18 5.36 -0.87 -1.23 -1.50 114.94 118.45 1x5o s ASN 27 Ca -0.11 1.48 -0.06 0.00 -1.57 0.00 0.00 52.86 52.60 1x5o s ASN 27 Cb 0.26 -2.53 -0.04 0.00 -0.02 0.00 0.00 41.25 38.93 1x5o s ASN 27 CO 0.80 -0.34 0.04 -0.76 -2.57 0.00 0.00 177.10 174.26 1x5o s LEU 28 N 1.57 3.63 -0.74 0.60 1.43 -1.07 -3.04 118.68 121.06 1x5o s LEU 28 Ca 0.47 -0.00 -0.27 0.00 -1.03 0.00 0.00 54.13 53.30 1x5o s LEU 28 Cb -0.19 -1.91 0.03 0.00 0.03 0.00 0.00 46.19 44.15 1x5o s LEU 28 CO 0.20 0.15 1.26 -0.47 0.23 0.00 0.00 176.35 177.73 1x5o s TYR 29 N 0.49 2.32 -0.28 0.29 6.14 -0.77 -3.93 117.35 121.61 1x5o s TYR 29 Ca 0.01 -0.11 -0.07 0.00 0.64 0.00 0.00 57.07 57.55 1x5o s TYR 29 Cb -0.13 -4.61 0.00 0.00 0.42 0.00 0.00 41.96 37.64 1x5o s TYR 29 CO 0.01 -2.04 0.06 0.42 0.64 0.00 0.00 175.55 174.64 1x5o s ILE 30 N 5.60 3.96 0.32 3.14 1.01 -1.22 -1.70 121.20 132.31 1x5o s ILE 30 Ca 0.34 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1x5o s ILE 30 Cb -0.08 -2.98 0.00 0.00 0.01 0.00 0.00 42.46 39.41 1x5o s ILE 30 CO 0.14 0.16 0.03 -1.54 0.00 0.00 0.00 174.94 173.73 1x5o n SER 31 N 4.87 2.79 -3.15 3.58 3.41 -0.21 -1.07 113.62 123.84 1x5o n SER 31 Ca -0.15 -2.37 -0.16 0.00 -0.26 0.00 0.00 58.87 55.93 1x5o n SER 31 Cb 0.49 0.19 0.08 0.00 -0.26 0.00 0.00 64.21 64.71 1x5o n SER 31 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1x5o n ASN 32 N -1.27 -2.84 -4.70 4.04 4.13 -0.14 -2.71 115.26 111.76 1x5o n ASN 32 Ca -0.12 -0.53 -0.28 0.00 1.68 0.00 0.00 54.58 55.33 1x5o n ASN 32 Cb 0.40 -4.54 -0.07 0.00 -1.54 0.00 0.00 39.78 34.02 1x5o n ASN 32 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1x5o s LEU 33 N -5.97 3.48 0.11 3.41 1.43 -0.24 -4.61 118.68 116.28 1x5o s LEU 33 Ca 0.11 -0.24 -0.31 0.00 -1.03 0.00 0.00 54.13 52.65 1x5o s LEU 33 Cb -0.05 -2.16 -0.08 0.00 0.03 0.00 0.00 46.19 43.94 1x5o s LEU 33 CO 0.64 0.12 1.36 -2.16 0.23 0.00 0.00 176.35 176.54 1x5o s PRO 34 N -2.69 4.34 0.59 1.29 0.04 -1.26 -3.94 135.00 133.36 1x5o s PRO 34 Ca 0.27 2.03 0.29 0.00 0.04 0.00 0.00 61.00 63.64 1x5o s PRO 34 Cb -0.11 -3.26 1.46 0.00 0.04 0.00 0.00 34.50 32.63 1x5o s PRO 34 CO 0.19 -0.41 1.87 -0.07 0.04 0.00 0.00 177.00 178.63 1x5o h LEU 35 N 6.75 0.00 -1.83 -3.56 3.38 -1.93 0.72 115.31 118.84 1x5o h LEU 35 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1x5o h LEU 35 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1x5o h LEU 35 CO 0.85 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 178.18 1x5o n SER 36 N -3.70 2.58 -4.80 -0.43 7.64 -1.26 -4.28 113.62 109.37 1x5o n SER 36 Ca 0.09 -2.30 -0.33 0.00 1.01 0.00 0.00 58.87 57.34 1x5o n SER 36 Cb 0.71 -0.53 -0.01 0.00 -1.01 0.00 0.00 64.21 63.37 1x5o n SER 36 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1x5o s MET 37 N -1.64 3.54 -0.00 1.43 0.00 0.25 -4.97 119.30 117.91 1x5o s MET 37 Ca 0.19 1.30 0.02 0.00 0.00 0.00 0.00 55.69 57.20 1x5o s MET 37 Cb 0.14 -2.06 -0.00 0.00 0.00 0.00 0.00 34.83 32.91 1x5o s MET 37 CO 0.06 -0.64 -0.05 0.16 0.00 0.00 0.00 175.02 174.55 1x5o s ASP 38 N -2.37 0.64 0.31 1.11 1.47 -1.26 -4.99 116.67 111.58 1x5o s ASP 38 Ca 0.66 -0.10 0.19 0.00 1.18 0.00 0.00 52.55 54.47 1x5o s ASP 38 Cb -0.17 -0.08 1.10 0.00 -0.34 0.00 0.00 42.92 43.43 1x5o s ASP 38 CO 0.29 0.06 1.25 -0.62 0.68 0.00 0.00 175.17 176.83 1x5o n GLU 39 N 2.97 -0.04 -0.08 2.11 4.71 -1.26 0.16 120.64 129.20 1x5o n GLU 39 Ca -0.13 1.07 -0.06 0.00 -0.01 0.00 0.00 57.16 58.03 1x5o n GLU 39 Cb 0.58 -1.96 0.00 0.00 -1.01 0.00 0.00 31.44 29.05 1x5o n GLU 39 CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 1x5o h GLN 40 N 0.00 0.07 0.34 3.49 4.15 -1.98 -1.98 115.11 119.20 1x5o h GLN 40 Ca 0.68 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 60.08 1x5o h GLN 40 Cb 1.89 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.57 1x5o h GLN 40 CO -0.56 0.04 -0.16 1.49 -1.93 0.00 0.00 178.83 177.71 1x5o h GLU 41 N 0.07 -0.44 -1.42 1.69 4.57 0.12 0.28 114.58 119.45 1x5o h GLU 41 Ca 0.15 0.03 0.41 0.00 -1.18 0.00 0.00 59.36 58.77 1x5o h GLU 41 Cb 0.20 0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.84 1x5o h GLU 41 CO -0.26 -0.15 1.05 1.25 -1.18 0.00 0.00 179.01 179.72 1x5o h LEU 42 N -0.72 0.00 0.09 1.64 5.85 -1.26 0.30 115.31 121.21 1x5o h LEU 42 Ca -0.05 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.30 1x5o h LEU 42 Cb 0.50 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1x5o h LEU 42 CO 0.08 0.00 -2.11 1.21 -0.34 0.00 0.00 178.44 177.28 1x5o n GLU 43 N -4.03 0.73 -0.30 1.25 2.13 -0.76 -3.90 120.64 115.76 1x5o n GLU 43 Ca 0.31 0.23 0.13 0.00 0.66 0.00 0.00 57.16 58.49 1x5o n GLU 43 Cb 1.50 -1.67 0.37 0.00 0.27 0.00 0.00 31.44 31.91 1x5o n GLU 43 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1x5o h ASN 44 N 0.05 0.68 0.34 4.31 2.35 0.33 1.39 115.58 125.03 1x5o h ASN 44 Ca -0.46 0.06 -0.14 0.00 -0.55 0.00 0.00 56.30 55.21 1x5o h ASN 44 Cb 2.01 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 40.29 1x5o h ASN 44 CO 0.05 0.31 -0.58 0.00 -1.65 0.00 0.00 177.43 175.55 1x5o h MET 45 N 0.70 0.25 -0.01 0.81 -0.00 -1.39 -2.94 114.93 112.34 1x5o h MET 45 Ca 0.50 -0.16 0.00 0.00 -0.00 0.00 0.00 59.70 60.03 1x5o h MET 45 Cb 0.82 0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.45 1x5o h MET 45 CO -0.26 0.76 -0.33 1.28 -0.00 0.00 0.00 176.91 178.36 1x5o n LEU 46 N -3.89 1.39 0.38 -0.10 4.77 0.36 -4.34 117.00 115.56 1x5o n LEU 46 Ca -0.02 -0.44 -0.16 0.00 -0.03 0.00 0.00 56.01 55.36 1x5o n LEU 46 Cb 0.60 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 1x5o n LEU 46 CO 0.44 0.26 0.44 0.11 -1.33 0.00 0.00 177.39 177.31 1x5o h LYS 47 N 1.66 -0.95 0.00 3.23 1.57 0.19 -1.67 116.57 120.61 1x5o h LYS 47 Ca 0.00 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1x5o h LYS 47 Cb 0.59 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1x5o h LYS 47 CO 0.00 -0.62 0.00 -0.35 -0.57 0.00 0.00 179.45 177.91 1x5o n PRO 48 N -5.44 0.49 -0.13 3.15 -0.04 -1.25 -2.88 135.00 128.89 1x5o n PRO 48 Ca -0.13 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.09 1x5o n PRO 48 Cb 0.40 -1.38 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 1x5o n PRO 48 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1x5o n PHE 49 N -0.88 0.00 -3.92 0.54 3.01 -1.09 -5.10 117.46 110.03 1x5o n PHE 49 Ca 0.09 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.54 1x5o n PHE 49 Cb 0.04 -0.98 0.01 0.00 -0.01 0.00 0.00 39.48 38.55 1x5o n PHE 49 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1x5o s GLY 50 N -5.89 -0.00 -0.51 1.37 0.00 -0.65 -5.02 107.32 96.62 1x5o s GLY 50 Ca -0.36 -0.15 -0.27 0.00 0.00 0.00 0.00 44.72 43.93 1x5o s GLY 50 CO 0.52 3.62 1.81 1.62 0.00 0.00 0.00 173.10 180.67 1x5o s GLN 51 N -2.13 2.92 -0.01 2.90 0.74 -1.26 -4.39 119.66 118.43 1x5o s GLN 51 Ca 0.25 0.89 -0.30 0.00 0.05 0.00 0.00 55.36 56.25 1x5o s GLN 51 Cb -0.02 -4.30 -0.05 0.00 1.10 0.00 0.00 33.01 29.74 1x5o s GLN 51 CO 0.03 -2.37 1.36 0.08 -0.55 0.00 0.00 175.29 173.84 1x5o s VAL 52 N 8.12 3.80 -0.15 1.34 1.01 -1.26 -2.82 120.40 130.45 1x5o s VAL 52 Ca 0.71 1.18 -0.12 0.00 0.00 0.00 0.00 61.98 63.75 1x5o s VAL 52 Cb -0.16 -3.76 -0.08 0.00 0.00 0.00 0.00 36.38 32.39 1x5o s VAL 52 CO 0.26 -0.00 0.01 0.40 0.00 0.00 0.00 175.10 175.77 1x5o h ILE 53 N 4.92 0.34 -3.23 2.22 1.08 -1.64 -3.48 117.51 117.72 1x5o h ILE 53 Ca -0.37 -1.37 -0.11 0.00 -0.39 0.00 0.00 64.86 62.62 1x5o h ILE 53 Cb 1.18 0.76 -0.19 0.00 -3.07 0.00 0.00 36.82 35.50 1x5o h ILE 53 CO 0.90 0.11 -0.30 -0.55 -0.69 0.00 0.00 178.15 177.62 1x5o s SER 54 N -6.00 -0.12 -0.01 1.72 0.15 -1.16 -4.99 113.70 103.28 1x5o s SER 54 Ca -0.16 -0.09 -0.01 0.00 0.70 0.00 0.00 55.95 56.39 1x5o s SER 54 Cb 0.02 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1x5o s SER 54 CO 0.30 -0.51 0.03 0.42 1.20 0.00 0.00 173.24 174.68 1x5o s THR 55 N -1.91 -0.00 0.01 6.45 -4.23 -1.26 -0.58 115.64 114.12 1x5o s THR 55 Ca -0.10 0.02 -0.06 0.00 -1.18 0.00 0.00 61.69 60.37 1x5o s THR 55 Cb -0.03 -0.05 -0.00 0.00 1.34 0.00 0.00 72.50 73.75 1x5o s THR 55 CO 0.00 0.01 0.11 -0.60 -0.54 0.00 0.00 174.62 173.60 1x5o s ARG 56 N 0.09 0.48 -0.23 3.99 3.52 0.70 -4.99 118.95 122.52 1x5o s ARG 56 Ca -0.01 -0.50 0.01 0.00 -0.13 0.00 0.00 55.73 55.11 1x5o s ARG 56 Cb -0.01 0.20 0.06 0.00 -1.56 0.00 0.00 34.95 33.63 1x5o s ARG 56 CO -0.00 -0.11 -0.08 0.42 -0.81 0.00 0.00 175.30 174.71 1x5o s ILE 57 N -1.64 1.76 0.23 4.11 -1.09 -1.26 0.15 121.20 123.46 1x5o s ILE 57 Ca -0.13 -1.29 -0.31 0.00 -2.23 0.00 0.00 60.65 56.69 1x5o s ILE 57 Cb -0.07 -1.93 -0.14 0.00 -1.58 0.00 0.00 42.46 38.75 1x5o s ILE 57 CO 0.00 -0.01 1.26 0.18 -1.23 0.00 0.00 174.94 175.15 1x5o n LEU 58 N 4.60 2.44 -4.24 2.97 4.77 -0.75 -4.87 117.00 121.92 1x5o n LEU 58 Ca -0.13 1.15 -0.23 0.00 -0.03 0.00 0.00 56.01 56.77 1x5o n LEU 58 Cb 0.44 -1.34 -0.13 0.00 -2.33 0.00 0.00 43.42 40.06 1x5o n LEU 58 CO 0.19 -0.88 -0.50 -0.13 -1.33 0.00 0.00 177.39 174.74 1x5o s ARG 59 N -0.68 1.13 0.48 3.23 1.81 -1.26 -0.63 118.95 123.02 1x5o s ARG 59 Ca 0.67 -1.01 0.03 0.00 -1.72 0.00 0.00 55.73 53.70 1x5o s ARG 59 Cb -0.72 -1.28 0.09 0.00 -0.45 0.00 0.00 34.95 32.59 1x5o s ARG 59 CO 0.53 0.31 0.66 -0.40 -0.68 0.00 0.00 175.30 175.72 1x5o n ASP 60 N 1.45 1.23 -0.21 0.23 5.75 -0.98 -4.88 116.55 119.14 1x5o n ASP 60 Ca -0.19 -1.96 0.18 0.00 -0.01 0.00 0.00 54.79 52.82 1x5o n ASP 60 Cb 0.54 -0.40 0.52 0.00 -1.03 0.00 0.00 41.12 40.75 1x5o n ASP 60 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1x5o h SER 61 N -0.21 0.38 -0.26 -1.12 0.02 -2.02 0.38 113.55 110.73 1x5o h SER 61 Ca -0.22 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.68 1x5o h SER 61 Cb 0.89 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.34 1x5o h SER 61 CO 0.27 0.17 0.11 -1.20 -1.14 0.00 0.00 176.83 175.04 1x5o n SER 62 N -4.49 2.91 -2.97 3.07 7.64 -1.26 -4.84 113.62 113.67 1x5o n SER 62 Ca 0.17 -2.41 -0.14 0.00 1.01 0.00 0.00 58.87 57.50 1x5o n SER 62 Cb 0.65 -0.59 -0.01 0.00 -1.01 0.00 0.00 64.21 63.25 1x5o n SER 62 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5o n GLY 63 N 0.08 -0.48 3.33 0.23 0.00 0.13 -4.90 105.19 103.58 1x5o n GLY 63 Ca 0.14 0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1x5o n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5o s THR 64 N -2.55 3.28 0.29 2.61 2.01 -1.25 -4.80 115.64 115.23 1x5o s THR 64 Ca 0.21 -0.54 -0.19 0.00 0.31 0.00 0.00 61.69 61.49 1x5o s THR 64 Cb -0.12 -2.46 -0.13 0.00 0.01 0.00 0.00 72.50 69.80 1x5o s THR 64 CO 0.26 0.46 0.15 -0.24 -0.69 0.00 0.00 174.62 174.56 1x5o n SER 65 N 4.42 -2.06 -1.95 3.53 2.88 -1.26 -2.32 113.62 116.85 1x5o n SER 65 Ca -0.18 0.73 -0.19 0.00 -1.33 0.00 0.00 58.87 57.90 1x5o n SER 65 Cb 0.51 -0.74 0.19 0.00 -0.75 0.00 0.00 64.21 63.42 1x5o n SER 65 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1x5o n ARG 66 N 1.04 2.16 -2.54 -1.46 1.74 0.19 -4.76 116.66 113.04 1x5o n ARG 66 Ca 0.11 -3.06 -0.20 0.00 -0.77 0.00 0.00 57.85 53.93 1x5o n ARG 66 Cb 0.30 -2.09 -0.00 0.00 -1.02 0.00 0.00 32.46 29.65 1x5o n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x5o n GLY 67 N -1.13 -0.50 3.07 -0.13 0.00 -1.25 -4.87 105.19 100.38 1x5o n GLY 67 Ca 0.53 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 46.45 1x5o n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5o s VAL 68 N -2.98 -0.01 -0.03 1.61 1.01 -1.26 -0.97 120.40 117.78 1x5o s VAL 68 Ca 0.06 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1x5o s VAL 68 Cb -0.03 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 36.08 1x5o s VAL 68 CO 0.08 0.01 -0.01 -0.83 0.00 0.00 0.00 175.10 174.35 1x5o s GLY 69 N 0.30 0.24 -0.32 4.51 0.00 -0.23 -1.81 107.32 110.01 1x5o s GLY 69 Ca -0.02 0.12 -0.12 0.00 0.00 0.00 0.00 44.72 44.70 1x5o s GLY 69 CO -0.01 0.50 0.22 -1.36 0.00 0.00 0.00 173.10 172.44 1x5o s PHE 70 N 0.87 3.22 -0.14 1.90 0.08 0.12 -3.39 117.98 120.64 1x5o s PHE 70 Ca -0.09 -0.16 0.01 0.00 0.12 0.00 0.00 56.93 56.81 1x5o s PHE 70 Cb -0.12 -2.44 0.02 0.00 -0.57 0.00 0.00 43.02 39.91 1x5o s PHE 70 CO -0.01 -0.32 -0.16 0.00 -0.10 0.00 0.00 175.22 174.63 1x5o s ALA 71 N 1.72 1.88 -0.32 5.36 0.00 -1.25 -0.21 121.76 128.93 1x5o s ALA 71 Ca 0.06 -0.90 -0.21 0.00 0.00 0.00 0.00 51.96 50.92 1x5o s ALA 71 Cb -0.17 -1.00 -0.00 0.00 0.00 0.00 0.00 23.12 21.95 1x5o s ALA 71 CO 0.10 -0.26 0.64 0.50 0.00 0.00 0.00 175.76 176.74 1x5o s ARG 72 N 1.27 3.83 0.35 0.00 3.52 0.25 -2.60 118.95 125.57 1x5o s ARG 72 Ca 0.01 0.24 -0.13 0.00 -0.13 0.00 0.00 55.73 55.71 1x5o s ARG 72 Cb -0.14 -3.76 -0.08 0.00 -1.56 0.00 0.00 34.95 29.42 1x5o s ARG 72 CO -0.08 -0.64 0.74 -1.64 -0.81 0.00 0.00 175.30 172.88 1x5o s MET 73 N 2.67 3.91 0.42 5.12 -1.94 -0.56 -1.64 119.30 127.28 1x5o s MET 73 Ca 0.25 0.58 0.29 0.00 -1.71 0.00 0.00 55.69 55.11 1x5o s MET 73 Cb -0.15 -2.42 1.45 0.00 2.01 0.00 0.00 34.83 35.73 1x5o s MET 73 CO 0.13 0.09 1.58 1.05 -0.01 0.00 0.00 175.02 177.85 1x5o h GLU 74 N 1.88 0.00 0.00 2.03 4.11 -1.86 -3.44 114.58 117.30 1x5o h GLU 74 Ca -0.48 -0.00 0.15 0.00 0.07 0.00 0.00 59.36 59.10 1x5o h GLU 74 Cb 1.18 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 1x5o h GLU 74 CO 0.65 0.00 0.47 0.45 0.07 0.00 0.00 179.01 180.65 1x5o n SER 75 N -4.91 -1.07 -0.15 3.06 2.88 -1.26 -5.04 113.62 107.13 1x5o n SER 75 Ca 0.40 -1.48 -0.10 0.00 -1.33 0.00 0.00 58.87 56.35 1x5o n SER 75 Cb 1.48 1.72 -0.01 0.00 -0.75 0.00 0.00 64.21 66.66 1x5o n SER 75 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1x5o h THR 76 N 1.67 1.27 -1.25 2.46 2.02 -1.89 -2.97 112.91 114.23 1x5o h THR 76 Ca -0.17 -1.12 0.43 0.00 0.77 0.00 0.00 66.41 66.32 1x5o h THR 76 Cb 0.81 1.10 -0.12 0.00 -1.74 0.00 0.00 68.15 68.20 1x5o h THR 76 CO 0.24 0.38 0.80 1.21 0.37 0.00 0.00 175.52 178.52 1x5o n GLU 77 N -4.34 -0.03 -0.08 6.66 4.07 -1.26 -0.07 120.64 125.58 1x5o n GLU 77 Ca -0.00 1.12 -0.15 0.00 -0.06 0.00 0.00 57.16 58.08 1x5o n GLU 77 Cb 0.33 -2.22 -0.10 0.00 -0.06 0.00 0.00 31.44 29.40 1x5o n GLU 77 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1x5o h LYS 78 N 0.00 0.00 -0.76 5.31 1.79 -1.93 -3.37 116.57 117.61 1x5o h LYS 78 Ca 0.79 0.00 0.13 0.00 -2.18 0.00 0.00 60.65 59.39 1x5o h LYS 78 Cb 2.56 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 33.08 1x5o h LYS 78 CO -0.41 0.77 -0.26 0.00 -1.08 0.00 0.00 179.45 178.46 1x5o h GLU 80 N 0.00 -0.39 -0.61 0.00 5.08 -1.58 -0.91 114.58 116.18 1x5o h GLU 80 Ca 0.30 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.81 1x5o h GLU 80 Cb 0.48 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.73 1x5o h GLU 80 CO -0.76 -0.26 0.05 0.00 -1.00 0.00 0.00 179.01 177.04 1x5o h ALA 81 N 0.25 0.64 0.17 3.43 0.00 -0.24 0.22 119.26 123.74 1x5o h ALA 81 Ca 0.11 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1x5o h ALA 81 Cb 0.60 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1x5o h ALA 81 CO -0.50 -0.37 -0.19 0.28 0.00 0.00 0.00 179.25 178.46 1x5o h VAL 82 N 0.16 0.00 -0.08 0.00 2.07 -0.48 -0.89 116.25 117.02 1x5o h VAL 82 Ca 0.32 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.87 1x5o h VAL 82 Cb 0.51 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.22 1x5o h VAL 82 CO -0.48 0.00 -0.53 0.40 0.02 0.00 0.00 177.57 176.97 1x5o h ILE 83 N -0.37 0.01 -1.16 4.57 2.04 -0.98 1.47 117.51 123.09 1x5o h ILE 83 Ca -0.02 0.00 0.34 0.00 1.00 0.00 0.00 64.86 66.18 1x5o h ILE 83 Cb 0.33 0.01 -0.11 0.00 -0.74 0.00 0.00 36.82 36.30 1x5o h ILE 83 CO -0.04 0.00 0.74 1.23 0.00 0.00 0.00 178.15 180.09 1x5o h GLY 84 N -0.62 1.29 0.00 5.37 0.00 -0.93 0.22 103.07 108.40 1x5o h GLY 84 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1x5o h GLY 84 CO -0.41 -0.27 0.00 1.42 0.00 0.00 0.00 176.54 177.28 1x5o n HIS 85 N -4.68 0.00 -0.35 5.60 8.25 -0.13 -4.52 115.22 119.39 1x5o n HIS 85 Ca 0.31 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.79 1x5o n HIS 85 Cb 1.13 -0.16 0.08 0.00 1.12 0.00 0.00 29.99 32.16 1x5o n HIS 85 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1x5o n PHE 86 N -1.94 0.16 -1.12 4.41 3.01 0.49 -4.33 117.46 118.14 1x5o n PHE 86 Ca 0.00 1.15 -0.23 0.00 1.01 0.00 0.00 57.45 59.38 1x5o n PHE 86 Cb 0.00 -0.93 -0.15 0.00 -0.01 0.00 0.00 39.48 38.39 1x5o n PHE 86 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1x5o n ASN 87 N -5.44 -0.53 -0.14 4.37 2.85 0.76 0.22 115.26 117.35 1x5o n ASN 87 Ca 0.12 -0.17 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 1x5o n ASN 87 Cb 0.42 -0.52 0.00 0.00 1.24 0.00 0.00 39.78 40.91 1x5o n ASN 87 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5o n GLY 88 N 4.44 1.09 3.49 8.20 0.00 -1.14 -4.98 105.19 116.30 1x5o n GLY 88 Ca 0.50 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1x5o n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x5o s LYS 89 N -2.24 1.76 -0.29 1.61 2.47 0.58 -4.86 119.74 118.78 1x5o s LYS 89 Ca 0.00 -1.33 0.02 0.00 -1.56 0.00 0.00 55.97 53.10 1x5o s LYS 89 Cb 0.00 -2.03 0.07 0.00 -1.46 0.00 0.00 37.83 34.41 1x5o s LYS 89 CO 0.00 0.44 -0.05 -0.06 0.16 0.00 0.00 175.35 175.84 1x5o s PHE 90 N -1.49 3.35 0.47 4.03 0.40 -1.26 -0.95 117.98 122.53 1x5o s PHE 90 Ca 0.21 -2.32 -0.12 0.00 -0.60 0.00 0.00 56.93 54.10 1x5o s PHE 90 Cb -0.09 -2.17 -0.06 0.00 0.51 0.00 0.00 43.02 41.21 1x5o s PHE 90 CO 0.11 -0.88 0.86 0.96 0.70 0.00 0.00 175.22 176.98 1x5o s ILE 91 N 1.11 4.71 0.76 0.64 -4.36 -1.26 -5.09 121.20 117.71 1x5o s ILE 91 Ca -0.05 0.79 -0.02 0.00 -0.26 0.00 0.00 60.65 61.11 1x5o s ILE 91 Cb -0.20 -3.75 0.14 0.00 1.25 0.00 0.00 42.46 39.90 1x5o s ILE 91 CO -0.04 -0.67 1.04 -1.59 0.24 0.00 0.00 174.94 173.92 1x5o s LYS 92 N -4.13 1.51 0.15 0.37 -2.85 -1.26 -4.72 119.74 108.80 1x5o s LYS 92 Ca 0.54 -1.08 0.05 0.00 -1.00 0.00 0.00 55.97 54.48 1x5o s LYS 92 Cb -0.10 -2.28 -0.04 0.00 -2.06 0.00 0.00 37.83 33.35 1x5o s LYS 92 CO 0.35 -1.59 -0.12 0.95 0.10 0.00 0.00 175.35 175.03 1x5o s THR 93 N -3.24 1.32 1.01 3.79 -4.23 -1.26 -5.01 115.64 108.02 1x5o s THR 93 Ca 0.68 -1.96 -0.12 0.00 -1.18 0.00 0.00 61.69 59.11 1x5o s THR 93 Cb -0.05 -1.76 0.20 0.00 1.34 0.00 0.00 72.50 72.23 1x5o s THR 93 CO 0.46 -0.60 1.09 -2.16 -0.54 0.00 0.00 174.62 172.87 1x5o s PRO 94 N -3.33 0.32 -0.84 3.99 0.04 -1.26 -4.90 135.00 129.03 1x5o s PRO 94 Ca 0.15 0.49 -0.25 0.00 0.04 0.00 0.00 61.00 61.42 1x5o s PRO 94 Cb -0.01 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.76 1x5o s PRO 94 CO 0.02 -2.80 1.93 -1.25 0.04 0.00 0.00 177.00 174.95 1x5o s PRO 95 N -4.97 2.57 0.00 0.56 0.04 -1.26 -2.33 135.00 129.62 1x5o s PRO 95 Ca 0.66 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1x5o s PRO 95 Cb -0.19 -4.92 0.00 0.00 0.04 0.00 0.00 34.50 29.44 1x5o s PRO 95 CO 0.58 -3.24 0.00 0.41 0.04 0.00 0.00 177.00 174.78 1x5o n GLY 96 N 6.61 0.29 3.55 0.56 0.00 -1.26 -5.14 105.19 109.80 1x5o n GLY 96 Ca 0.36 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.08 1x5o n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5o s VAL 97 N 0.00 3.25 -0.19 1.61 1.01 -0.98 -5.10 120.40 119.99 1x5o s VAL 97 Ca 0.00 -1.25 -0.25 0.00 0.00 0.00 0.00 61.98 60.48 1x5o s VAL 97 Cb 0.00 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 1x5o s VAL 97 CO 0.00 0.17 0.85 -0.44 0.00 0.00 0.00 175.10 175.67 1x5o s SER 98 N -2.03 6.94 0.36 3.32 0.01 -1.26 -4.72 113.70 116.32 1x5o s SER 98 Ca 0.20 1.16 -0.28 0.00 1.31 0.00 0.00 55.95 58.34 1x5o s SER 98 Cb -0.11 -2.46 -0.10 0.00 0.21 0.00 0.00 66.02 63.57 1x5o s SER 98 CO 0.12 -0.45 1.30 0.00 0.41 0.00 0.00 173.24 174.61 1x5o s ALA 99 N 2.39 3.41 1.04 1.44 0.00 -1.26 -4.88 121.76 123.91 1x5o s ALA 99 Ca 0.38 1.24 -0.14 0.00 0.00 0.00 0.00 51.96 53.44 1x5o s ALA 99 Cb -0.16 -3.47 0.21 0.00 0.00 0.00 0.00 23.12 19.70 1x5o s ALA 99 CO 0.11 -0.69 1.10 -1.25 0.00 0.00 0.00 175.76 175.03 1x5o s PRO 100 N -1.95 0.06 -0.05 0.00 0.04 -1.26 -5.02 135.00 126.82 1x5o s PRO 100 Ca 0.52 0.39 0.04 0.00 0.04 0.00 0.00 61.00 61.99 1x5o s PRO 100 Cb -0.39 -1.70 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 1x5o s PRO 100 CO 0.51 -2.95 0.01 2.41 0.04 0.00 0.00 177.00 177.02 1x5o n THR 101 N -4.31 0.32 -3.06 1.26 -1.04 -1.26 -5.03 114.28 101.16 1x5o n THR 101 Ca 0.06 -0.19 -0.31 0.00 -2.04 0.00 0.00 64.05 61.57 1x5o n THR 101 Cb 0.58 -0.86 -0.04 0.00 -1.82 0.00 0.00 70.33 68.18 1x5o n THR 101 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1x5o s GLU 102 N -2.11 3.80 1.20 -2.82 0.41 -1.26 -5.08 118.70 112.83 1x5o s GLU 102 Ca -0.03 0.40 -0.19 0.00 -0.41 0.00 0.00 54.97 54.74 1x5o s GLU 102 Cb 0.01 -2.47 0.29 0.00 -1.78 0.00 0.00 34.13 30.18 1x5o s GLU 102 CO 0.19 0.09 1.11 -1.25 -0.49 0.00 0.00 175.26 174.91 1x5o s PRO 103 N -3.50 -1.22 -0.36 0.39 0.04 -1.26 -4.92 135.00 124.17 1x5o s PRO 103 Ca 0.50 -0.07 -0.16 0.00 0.04 0.00 0.00 61.00 61.31 1x5o s PRO 103 Cb -0.10 -1.60 -0.00 0.00 0.04 0.00 0.00 34.50 32.83 1x5o s PRO 103 CO 0.27 -3.71 0.40 -0.51 0.04 0.00 0.00 177.00 173.50 1x5o s LEU 104 N -6.93 4.51 -0.07 -3.56 1.43 -0.13 -4.69 118.68 109.24 1x5o s LEU 104 Ca 0.71 -0.29 -0.23 0.00 -1.03 0.00 0.00 54.13 53.29 1x5o s LEU 104 Cb -0.10 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 1x5o s LEU 104 CO 0.56 -0.41 0.67 -0.22 0.23 0.00 0.00 176.35 177.18 1x5o s LEU 105 N 2.10 4.31 -0.01 1.79 2.96 -1.10 -2.88 118.68 125.86 1x5o s LEU 105 Ca 0.13 1.13 0.04 0.00 -0.22 0.00 0.00 54.13 55.21 1x5o s LEU 105 Cb -0.16 -3.03 -0.01 0.00 0.50 0.00 0.00 46.19 43.49 1x5o s LEU 105 CO 0.12 -0.10 -0.12 0.00 -1.32 0.00 0.00 176.35 174.93 1x5o s LYS 107 N -0.25 0.69 -0.42 0.00 -2.85 -0.69 -4.96 119.74 111.26 1x5o s LYS 107 Ca 0.04 1.19 -0.41 0.00 -1.00 0.00 0.00 55.97 55.79 1x5o s LYS 107 Cb -0.05 0.14 -0.16 0.00 -2.06 0.00 0.00 37.83 35.69 1x5o s LYS 107 CO -0.00 -0.14 2.07 1.19 0.10 0.00 0.00 175.35 178.56 1x5o n PHE 108 N 4.26 1.46 -2.51 1.78 3.72 -1.26 -1.86 117.46 123.06 1x5o n PHE 108 Ca -0.20 0.60 -0.38 0.00 -0.05 0.00 0.00 57.45 57.42 1x5o n PHE 108 Cb 0.59 -2.39 -0.04 0.00 -0.94 0.00 0.00 39.48 36.70 1x5o n PHE 108 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1x5o s SER 109 N 5.96 6.99 1.23 4.37 0.15 -1.17 -4.84 113.70 126.39 1x5o s SER 109 Ca 1.13 2.14 -0.18 0.00 0.70 0.00 0.00 55.95 59.74 1x5o s SER 109 Cb -1.22 -2.60 0.29 0.00 -1.71 0.00 0.00 66.02 60.77 1x5o s SER 109 CO 0.61 -0.33 1.05 -0.83 1.20 0.00 0.00 173.24 174.95 1x5o s GLY 110 N -1.25 1.53 -1.02 9.45 0.00 -1.26 -4.66 107.32 110.11 1x5o s GLY 110 Ca 0.52 -0.74 -0.24 0.00 0.00 0.00 0.00 44.72 44.25 1x5o s GLY 110 CO 0.34 0.12 1.94 2.56 0.00 0.00 0.00 173.10 178.06 1x5o s PRO 111 N -5.15 2.53 -0.43 2.90 0.04 -1.23 -4.93 135.00 128.73 1x5o s PRO 111 Ca 0.69 -0.66 -0.24 0.00 0.04 0.00 0.00 61.00 60.83 1x5o s PRO 111 Cb -0.14 -5.14 0.02 0.00 0.04 0.00 0.00 34.50 29.29 1x5o s PRO 111 CO 0.58 -3.64 0.83 -1.12 0.04 0.00 0.00 177.00 173.69 1x5o s SER 112 N 7.39 6.48 -0.12 6.66 0.01 -1.26 -4.93 113.70 127.93 1x5o s SER 112 Ca 0.69 0.10 -0.05 0.00 1.31 0.00 0.00 55.95 58.01 1x5o s SER 112 Cb -0.04 -2.41 -0.02 0.00 0.21 0.00 0.00 66.02 63.75 1x5o s SER 112 CO 0.05 -0.91 -0.02 0.28 0.41 0.00 0.00 173.24 173.05 1x5o h SER 113 N 8.86 0.00 0.00 2.44 0.02 -2.01 -3.53 113.55 119.33 1x5o h SER 113 Ca -0.24 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1x5o h SER 113 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1x5o h SER 113 CO 0.97 0.62 0.00 0.61 -1.14 0.00 0.00 176.83 177.89