#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o4t s VAL 8 N 0.00 2.10 -0.19 3.17 1.01 -1.26 -5.12 120.40 120.10 1o4t s VAL 8 Ca 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.94 1o4t s VAL 8 Cb 0.00 -1.76 0.03 0.00 0.00 0.00 0.00 36.38 34.65 1o4t s VAL 8 CO 0.00 0.57 -0.18 -0.69 0.00 0.00 0.00 175.10 174.81 1o4t s VAL 9 N -0.20 2.02 -0.66 2.92 1.01 -1.26 -5.09 120.40 119.15 1o4t s VAL 9 Ca -0.03 -1.04 -0.26 0.00 0.00 0.00 0.00 61.98 60.65 1o4t s VAL 9 Cb -0.13 -1.90 0.04 0.00 0.00 0.00 0.00 36.38 34.39 1o4t s VAL 9 CO 0.03 0.42 1.15 -0.13 0.00 0.00 0.00 175.10 176.57 1o4t s ARG 10 N 1.28 3.27 0.24 2.72 3.00 -1.26 -4.90 118.95 123.29 1o4t s ARG 10 Ca 0.02 -0.25 -0.13 0.00 0.00 0.00 0.00 55.73 55.38 1o4t s ARG 10 Cb -0.14 -4.13 0.32 0.00 0.00 0.00 0.00 34.95 30.99 1o4t s ARG 10 CO -0.11 -1.89 1.58 0.77 0.00 0.00 0.00 175.30 175.65 1o4t h SER 11 N 9.73 -0.91 -0.75 0.23 0.02 -1.98 0.72 113.55 120.61 1o4t h SER 11 Ca -0.27 0.26 0.22 0.00 -0.84 0.00 0.00 61.79 61.15 1o4t h SER 11 Cb 1.06 0.56 -0.03 0.00 0.14 0.00 0.00 62.40 64.13 1o4t h SER 11 CO 1.21 -0.28 0.86 0.28 -1.14 0.00 0.00 176.83 177.76 1o4t h SER 12 N -0.02 0.00 -0.25 3.07 0.02 -2.05 0.06 113.55 114.38 1o4t h SER 12 Ca 0.37 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.20 1o4t h SER 12 Cb 0.60 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.07 1o4t h SER 12 CO -0.86 0.00 -0.18 -0.62 -1.14 0.00 0.00 176.83 174.04 1o4t n GLU 13 N -3.44 1.81 -4.64 3.45 1.02 0.25 -4.94 120.64 114.15 1o4t n GLU 13 Ca 0.16 -3.18 -0.33 0.00 -0.02 0.00 0.00 57.16 53.79 1o4t n GLU 13 Cb 1.11 -1.76 -0.13 0.00 -0.02 0.00 0.00 31.44 30.64 1o4t n GLU 13 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1o4t s ILE 14 N -3.21 3.38 -0.22 -3.67 -1.09 0.01 -4.97 121.20 111.43 1o4t s ILE 14 Ca 0.42 -0.55 -0.29 0.00 -2.23 0.00 0.00 60.65 58.01 1o4t s ILE 14 Cb 0.39 -2.44 0.00 0.00 -1.58 0.00 0.00 42.46 38.83 1o4t s ILE 14 CO -0.01 0.52 1.12 -0.89 -1.23 0.00 0.00 174.94 174.45 1o4t s THR 15 N 0.27 4.52 0.60 2.92 2.01 -1.26 -4.99 115.64 119.71 1o4t s THR 15 Ca -0.07 1.83 -0.17 0.00 0.31 0.00 0.00 61.69 63.59 1o4t s THR 15 Cb -0.15 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.11 1o4t s THR 15 CO 0.04 -0.20 1.09 -2.84 -0.69 0.00 0.00 174.62 172.02 1o4t s PRO 16 N 3.37 3.17 -0.14 4.92 0.02 -1.26 -4.80 135.00 140.27 1o4t s PRO 16 Ca 0.48 1.37 -0.15 0.00 0.02 0.00 0.00 61.00 62.72 1o4t s PRO 16 Cb -0.17 -2.00 -0.05 0.00 0.02 0.00 0.00 34.50 32.31 1o4t s PRO 16 CO 0.10 -0.95 0.35 -1.83 -0.33 0.00 0.00 177.00 174.33 1o4t s GLU 17 N -3.84 4.26 -0.16 5.54 -1.05 0.11 -4.86 118.70 118.70 1o4t s GLU 17 Ca 0.67 0.20 -0.22 0.00 -0.15 0.00 0.00 54.97 55.47 1o4t s GLU 17 Cb -0.19 -3.42 -0.03 0.00 -0.44 0.00 0.00 34.13 30.05 1o4t s GLU 17 CO 0.35 0.24 0.67 0.50 0.95 0.00 0.00 175.26 177.97 1o4t s ARG 18 N 0.43 4.28 -0.10 -4.83 3.52 -1.26 -0.61 118.95 120.38 1o4t s ARG 18 Ca 0.19 0.72 0.03 0.00 -0.13 0.00 0.00 55.73 56.54 1o4t s ARG 18 Cb -0.14 -3.54 0.01 0.00 -1.56 0.00 0.00 34.95 29.72 1o4t s ARG 18 CO 0.06 -0.17 -0.20 0.42 -0.81 0.00 0.00 175.30 174.59 1o4t s ILE 19 N 1.66 1.82 -0.13 4.11 1.01 0.59 -4.96 121.20 125.30 1o4t s ILE 19 Ca 0.32 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 60.00 1o4t s ILE 19 Cb -0.16 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 1o4t s ILE 19 CO 0.12 0.51 0.20 -0.94 0.00 0.00 0.00 174.94 174.83 1o4t s SER 20 N 0.57 6.42 -1.30 3.58 1.04 -1.26 -0.48 113.70 122.27 1o4t s SER 20 Ca -0.14 0.49 -0.01 0.00 0.48 0.00 0.00 55.95 56.77 1o4t s SER 20 Cb -0.17 -2.12 -0.00 0.00 0.10 0.00 0.00 66.02 63.83 1o4t s SER 20 CO 0.05 0.29 0.68 0.59 0.98 0.00 0.00 173.24 175.83 1o4t n ASN 21 N 2.57 -1.40 -4.70 7.02 4.13 -0.40 -4.84 115.26 117.63 1o4t n ASN 21 Ca -0.17 -0.85 -0.42 0.00 1.68 0.00 0.00 54.58 54.82 1o4t n ASN 21 Cb 0.53 -3.94 -0.03 0.00 -1.54 0.00 0.00 39.78 34.81 1o4t n ASN 21 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 1o4t s MET 22 N -6.00 4.18 -1.33 3.52 1.75 -1.26 -0.55 119.30 119.61 1o4t s MET 22 Ca 0.04 2.44 -0.11 0.00 -1.25 0.00 0.00 55.69 56.80 1o4t s MET 22 Cb -0.01 -3.41 0.09 0.00 2.84 0.00 0.00 34.83 34.34 1o4t s MET 22 CO 0.82 -0.73 0.54 0.54 -0.65 0.00 0.00 175.02 175.54 1o4t n ARG 23 N 4.97 -3.34 -1.14 4.11 5.12 -1.26 -0.70 116.66 124.42 1o4t n ARG 23 Ca 0.16 0.44 -0.05 0.00 -1.93 0.00 0.00 57.85 56.47 1o4t n ARG 23 Cb 0.39 -5.15 -0.02 0.00 -1.16 0.00 0.00 32.46 26.52 1o4t n ARG 23 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1o4t n GLY 24 N -1.20 0.74 0.77 -0.13 0.00 0.29 -3.66 105.19 101.99 1o4t n GLY 24 Ca 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 46.02 45.24 1o4t n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o4t n GLY 25 N -2.31 -0.59 3.88 -0.02 0.00 0.13 -4.64 105.19 101.65 1o4t n GLY 25 Ca -0.05 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 1o4t n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o4t s LYS 26 N -3.37 3.60 3.33 1.61 1.02 -1.19 -4.16 119.74 120.58 1o4t s LYS 26 Ca 0.14 -0.06 0.00 0.00 0.02 0.00 0.00 55.97 56.07 1o4t s LYS 26 Cb -0.01 -3.06 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 1o4t s LYS 26 CO 0.10 0.63 0.00 0.41 -0.92 0.00 0.00 175.35 175.57 1o4t n GLY 27 N 1.06 0.98 3.49 -3.33 0.00 -1.26 -1.75 105.19 104.38 1o4t n GLY 27 Ca -0.11 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 1o4t n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o4t s GLU 28 N 0.00 2.45 0.18 1.61 2.02 -1.26 -1.28 118.70 122.42 1o4t s GLU 28 Ca 0.00 -0.73 0.08 0.00 0.02 0.00 0.00 54.97 54.33 1o4t s GLU 28 Cb 0.00 -2.37 -0.04 0.00 0.10 0.00 0.00 34.13 31.81 1o4t s GLU 28 CO 0.00 0.61 -0.15 0.08 0.02 0.00 0.00 175.26 175.82 1o4t s VAL 29 N -0.79 1.70 -0.06 2.63 1.01 0.37 -4.32 120.40 120.93 1o4t s VAL 29 Ca 0.13 -2.08 0.05 0.00 0.00 0.00 0.00 61.98 60.08 1o4t s VAL 29 Cb -0.11 -1.93 -0.00 0.00 0.00 0.00 0.00 36.38 34.34 1o4t s VAL 29 CO 0.02 -0.51 -0.22 -1.61 0.00 0.00 0.00 175.10 172.78 1o4t s GLU 30 N -3.32 2.39 -0.16 2.72 2.02 -0.50 -0.30 118.70 121.55 1o4t s GLU 30 Ca 0.19 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 54.41 1o4t s GLU 30 Cb -0.02 -1.97 0.03 0.00 0.10 0.00 0.00 34.13 32.26 1o4t s GLU 30 CO 0.06 0.27 -0.14 1.41 0.02 0.00 0.00 175.26 176.88 1o4t s MET 31 N 0.08 2.33 -0.35 1.61 -2.45 0.22 -1.13 119.30 119.61 1o4t s MET 31 Ca -0.08 -0.64 -0.10 0.00 -1.25 0.00 0.00 55.69 53.61 1o4t s MET 31 Cb -0.14 -2.21 0.01 0.00 1.25 0.00 0.00 34.83 33.74 1o4t s MET 31 CO 0.05 -0.27 0.19 0.00 1.05 0.00 0.00 175.02 176.03 1o4t s ALA 32 N 1.45 3.28 -0.14 4.11 0.00 -0.07 0.09 121.76 130.48 1o4t s ALA 32 Ca 0.04 -1.59 -0.29 0.00 0.00 0.00 0.00 51.96 50.12 1o4t s ALA 32 Cb -0.13 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.47 1o4t s ALA 32 CO -0.11 -1.19 1.00 -1.01 0.00 0.00 0.00 175.76 174.45 1o4t s HIS 33 N 1.58 3.46 -0.24 0.00 3.76 -1.26 -0.97 115.29 121.62 1o4t s HIS 33 Ca 0.03 1.54 0.07 0.00 -0.15 0.00 0.00 55.06 56.55 1o4t s HIS 33 Cb -0.18 -3.20 -0.19 0.00 1.11 0.00 0.00 32.58 30.12 1o4t s HIS 33 CO 0.07 -0.29 -0.14 1.28 -0.85 0.00 0.00 174.74 174.81 1o4t n LEU 34 N 5.36 2.09 -3.91 0.89 4.77 -0.08 -4.95 117.00 121.17 1o4t n LEU 34 Ca 0.09 -0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 55.84 1o4t n LEU 34 Cb 0.48 -0.48 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 1o4t n LEU 34 CO 0.52 0.80 -0.38 -0.76 -1.33 0.00 0.00 177.39 176.24 1o4t s LEU 35 N -6.18 2.02 0.72 2.23 1.43 -1.20 -4.95 118.68 112.75 1o4t s LEU 35 Ca -0.27 -0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 1o4t s LEU 35 Cb 0.08 -0.10 0.02 0.00 0.03 0.00 0.00 46.19 46.23 1o4t s LEU 35 CO 0.66 0.01 1.08 -0.94 0.23 0.00 0.00 176.35 177.39 1o4t s SER 36 N -0.13 5.22 0.18 2.29 1.04 -1.26 -4.16 113.70 116.88 1o4t s SER 36 Ca -0.00 1.29 -0.08 0.00 0.48 0.00 0.00 55.95 57.65 1o4t s SER 36 Cb -0.01 -2.11 0.07 0.00 0.10 0.00 0.00 66.02 64.06 1o4t s SER 36 CO -0.00 -1.50 1.57 0.50 0.98 0.00 0.00 173.24 174.79 1o4t h LYS 37 N -0.76 0.91 -0.26 4.02 3.64 -1.82 -1.81 116.57 120.49 1o4t h LYS 37 Ca -0.45 -0.39 0.04 0.00 -1.27 0.00 0.00 60.65 58.58 1o4t h LYS 37 Cb 1.24 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.00 1o4t h LYS 37 CO 0.61 1.04 0.01 0.93 -2.27 0.00 0.00 179.45 179.78 1o4t h GLU 38 N 0.78 0.09 -0.92 1.90 5.08 -1.93 0.24 114.58 119.82 1o4t h GLU 38 Ca 0.10 -0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.66 1o4t h GLU 38 Cb 0.79 -0.02 -0.12 0.00 0.50 0.00 0.00 28.75 29.91 1o4t h GLU 38 CO 0.07 0.06 0.47 0.00 -1.00 0.00 0.00 179.01 178.61 1o4t h ALA 39 N 1.21 1.52 -0.49 3.43 0.00 -1.87 -1.50 119.26 121.56 1o4t h ALA 39 Ca 0.12 0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.97 1o4t h ALA 39 Cb 0.15 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 17.89 1o4t h ALA 39 CO -0.20 -0.25 0.24 -1.33 0.00 0.00 0.00 179.25 177.72 1o4t n MET 40 N -4.94 2.33 -3.33 0.00 2.81 -0.32 -4.86 117.12 108.79 1o4t n MET 40 Ca 0.22 -1.80 -0.23 0.00 -1.81 0.00 0.00 57.70 54.08 1o4t n MET 40 Cb 0.63 -1.79 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 1o4t n MET 40 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1o4t n HIS 41 N -0.15 -1.81 -1.64 2.03 -0.00 -0.56 -1.28 115.22 111.80 1o4t n HIS 41 Ca 0.28 0.48 -0.18 0.00 -0.00 0.00 0.00 57.72 58.29 1o4t n HIS 41 Cb 1.05 -3.12 -0.07 0.00 -0.00 0.00 0.00 29.99 27.84 1o4t n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1o4t n ASN 42 N -2.32 -4.92 0.03 0.41 3.02 0.71 -4.82 115.26 107.37 1o4t n ASN 42 Ca -0.03 0.41 0.03 0.00 -0.03 0.00 0.00 54.58 54.96 1o4t n ASN 42 Cb 0.55 -4.36 -0.08 0.00 -0.61 0.00 0.00 39.78 35.27 1o4t n ASN 42 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1o4t n LYS 43 N -2.31 0.63 -4.24 3.52 4.76 -0.41 -4.88 118.16 115.24 1o4t n LYS 43 Ca -0.19 0.12 -0.17 0.00 -2.87 0.00 0.00 58.31 55.20 1o4t n LYS 43 Cb 0.61 -1.75 -0.14 0.00 -1.84 0.00 0.00 35.03 31.92 1o4t n LYS 43 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1o4t s ALA 44 N -3.06 0.70 -0.68 7.82 0.00 -1.25 -1.62 121.76 123.66 1o4t s ALA 44 Ca -0.04 -0.51 0.14 0.00 0.00 0.00 0.00 51.96 51.55 1o4t s ALA 44 Cb 0.09 -0.11 -0.15 0.00 0.00 0.00 0.00 23.12 22.95 1o4t s ALA 44 CO 0.82 0.12 0.60 2.89 0.00 0.00 0.00 175.76 180.20 1o4t n ARG 45 N 2.39 2.33 -3.76 0.00 1.85 -0.46 -4.41 116.66 114.60 1o4t n ARG 45 Ca -0.16 -0.02 -0.13 0.00 -1.00 0.00 0.00 57.85 56.54 1o4t n ARG 45 Cb 0.56 -1.17 -0.13 0.00 -1.05 0.00 0.00 32.46 30.68 1o4t n ARG 45 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1o4t s LEU 46 N -2.65 0.74 -0.32 2.89 2.96 -1.24 -4.61 118.68 116.46 1o4t s LEU 46 Ca 0.05 0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 54.40 1o4t s LEU 46 Cb 0.11 0.66 0.13 0.00 0.50 0.00 0.00 46.19 47.59 1o4t s LEU 46 CO 0.57 -0.13 0.24 0.12 -1.32 0.00 0.00 176.35 175.84 1o4t s PHE 47 N 0.84 0.05 0.04 5.38 2.19 -1.25 -1.25 117.98 123.99 1o4t s PHE 47 Ca -0.06 -0.81 0.00 0.00 0.33 0.00 0.00 56.93 56.39 1o4t s PHE 47 Cb -0.07 -0.68 -0.03 0.00 -1.31 0.00 0.00 43.02 40.93 1o4t s PHE 47 CO -0.05 -0.88 -0.04 0.00 1.83 0.00 0.00 175.22 176.08 1o4t s ALA 48 N 1.84 0.36 -0.22 11.12 0.00 -0.26 -0.90 121.76 133.71 1o4t s ALA 48 Ca 0.12 -0.86 -0.08 0.00 0.00 0.00 0.00 51.96 51.15 1o4t s ALA 48 Cb -0.17 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1o4t s ALA 48 CO -0.22 -0.21 0.08 0.50 0.00 0.00 0.00 175.76 175.91 1o4t s ARG 49 N -2.40 3.82 -0.01 0.00 3.52 -0.15 -0.16 118.95 123.58 1o4t s ARG 49 Ca -0.06 -0.41 0.02 0.00 -0.13 0.00 0.00 55.73 55.15 1o4t s ARG 49 Cb -0.03 -3.30 -0.04 0.00 -1.56 0.00 0.00 34.95 30.02 1o4t s ARG 49 CO -0.04 0.03 -0.01 -1.64 -0.81 0.00 0.00 175.30 172.83 1o4t s MET 50 N 1.05 2.76 -0.14 5.12 -1.94 0.11 -0.89 119.30 125.36 1o4t s MET 50 Ca 0.04 -0.61 0.00 0.00 -1.71 0.00 0.00 55.69 53.41 1o4t s MET 50 Cb -0.14 -2.65 0.03 0.00 2.01 0.00 0.00 34.83 34.08 1o4t s MET 50 CO 0.03 0.63 -0.11 0.21 -0.01 0.00 0.00 175.02 175.77 1o4t s LYS 51 N -1.47 1.98 -0.38 2.03 2.20 -0.29 -1.63 119.74 122.19 1o4t s LYS 51 Ca 0.18 -0.50 -0.08 0.00 -0.36 0.00 0.00 55.97 55.21 1o4t s LYS 51 Cb -0.11 -1.98 0.05 0.00 -1.51 0.00 0.00 37.83 34.28 1o4t s LYS 51 CO 0.09 -0.28 0.19 -0.51 -0.36 0.00 0.00 175.35 174.48 1o4t s LEU 52 N 1.55 4.74 0.87 5.43 1.02 0.14 -1.41 118.68 131.03 1o4t s LEU 52 Ca 0.04 -1.25 -0.12 0.00 0.02 0.00 0.00 54.13 52.81 1o4t s LEU 52 Cb -0.13 -1.95 0.09 0.00 0.02 0.00 0.00 46.19 44.22 1o4t s LEU 52 CO -0.10 -0.42 1.00 -2.65 0.02 0.00 0.00 176.35 174.20 1o4t n PRO 53 N 4.89 -0.14 -1.64 1.29 -0.02 -1.26 -1.47 135.00 136.66 1o4t n PRO 53 Ca -0.11 0.03 -0.52 0.00 -2.02 0.00 0.00 63.50 60.87 1o4t n PRO 53 Cb 0.44 -2.28 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 1o4t n PRO 53 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1o4t n PRO 54 N -3.21 1.38 0.00 0.52 -0.02 -1.26 -1.58 135.00 130.83 1o4t n PRO 54 Ca 0.12 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1o4t n PRO 54 Cb 0.51 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1o4t n PRO 54 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1o4t n GLY 55 N 3.24 0.96 3.96 -1.23 0.00 -1.04 -5.06 105.19 106.03 1o4t n GLY 55 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 1o4t n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1o4t s SER 56 N -2.18 5.82 0.05 1.61 1.04 -0.61 -4.68 113.70 114.74 1o4t s SER 56 Ca 0.00 0.16 -0.15 0.00 0.48 0.00 0.00 55.95 56.44 1o4t s SER 56 Cb 0.00 -1.41 0.02 0.00 0.10 0.00 0.00 66.02 64.73 1o4t s SER 56 CO 0.00 -0.68 0.34 -0.94 0.98 0.00 0.00 173.24 172.94 1o4t s SER 57 N -4.23 -0.17 -0.15 7.02 1.04 -0.71 -1.02 113.70 115.48 1o4t s SER 57 Ca 0.48 -0.14 -0.16 0.00 0.48 0.00 0.00 55.95 56.61 1o4t s SER 57 Cb -0.10 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1o4t s SER 57 CO 0.36 -0.64 0.39 -0.69 0.98 0.00 0.00 173.24 173.64 1o4t s VAL 58 N -2.58 5.24 0.79 5.02 1.01 0.12 -3.16 120.40 126.84 1o4t s VAL 58 Ca -0.05 0.75 -0.12 0.00 0.00 0.00 0.00 61.98 62.57 1o4t s VAL 58 Cb -0.01 -3.73 0.06 0.00 0.00 0.00 0.00 36.38 32.71 1o4t s VAL 58 CO -0.03 0.34 1.10 -0.83 0.00 0.00 0.00 175.10 175.68 1o4t s GLY 59 N 0.62 1.62 0.15 4.51 0.00 -0.12 -2.03 107.32 112.07 1o4t s GLY 59 Ca 0.21 -0.27 -0.31 0.00 0.00 0.00 0.00 44.72 44.34 1o4t s GLY 59 CO 0.07 0.16 1.68 -2.27 0.00 0.00 0.00 173.10 172.74 1o4t s LEU 60 N -5.71 4.38 0.13 0.66 2.96 -1.25 -4.49 118.68 115.36 1o4t s LEU 60 Ca 0.61 2.69 -0.15 0.00 -0.22 0.00 0.00 54.13 57.05 1o4t s LEU 60 Cb -0.14 -3.58 0.03 0.00 0.50 0.00 0.00 46.19 43.00 1o4t s LEU 60 CO 0.53 -0.91 0.40 -1.38 -1.32 0.00 0.00 176.35 173.67 1o4t s HIS 61 N 1.78 -0.14 0.01 5.38 -3.43 -0.41 -4.88 115.29 113.60 1o4t s HIS 61 Ca 0.74 -0.19 0.00 0.00 -0.80 0.00 0.00 55.06 54.81 1o4t s HIS 61 Cb -0.45 0.24 -0.04 0.00 -1.43 0.00 0.00 32.58 30.90 1o4t s HIS 61 CO 0.33 -0.72 0.07 0.21 -2.00 0.00 0.00 174.74 172.63 1o4t s LYS 62 N -3.83 3.00 -0.13 -0.38 2.20 -1.26 -0.66 119.74 118.68 1o4t s LYS 62 Ca 0.05 -0.53 -0.00 0.00 -0.36 0.00 0.00 55.97 55.12 1o4t s LYS 62 Cb 0.02 -2.82 -0.01 0.00 -1.51 0.00 0.00 37.83 33.51 1o4t s LYS 62 CO -0.10 0.63 -0.14 -1.01 -0.36 0.00 0.00 175.35 174.37 1o4t s HIS 63 N -1.22 2.80 -0.03 4.03 3.76 -0.81 -4.98 115.29 118.84 1o4t s HIS 63 Ca 0.24 -0.72 0.01 0.00 -0.15 0.00 0.00 55.06 54.44 1o4t s HIS 63 Cb -0.12 -1.85 0.01 0.00 1.11 0.00 0.00 32.58 31.73 1o4t s HIS 63 CO 0.15 -0.26 -0.04 -1.83 -0.85 0.00 0.00 174.74 171.91 1o4t s GLU 64 N 0.44 0.59 -0.27 1.40 -1.05 -1.26 0.27 118.70 118.82 1o4t s GLU 64 Ca -0.10 -0.10 0.00 0.00 -0.15 0.00 0.00 54.97 54.62 1o4t s GLU 64 Cb -0.16 -0.63 0.00 0.00 -0.44 0.00 0.00 34.13 32.90 1o4t s GLU 64 CO 0.05 -0.03 0.00 0.41 0.95 0.00 0.00 175.26 176.64 1o4t n GLY 65 N 3.71 0.59 3.84 -3.83 0.00 -1.26 -4.96 105.19 103.27 1o4t n GLY 65 Ca -0.22 -0.65 -0.07 0.00 0.00 0.00 0.00 46.02 45.08 1o4t n GLY 65 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1o4t s GLU 66 N -1.74 1.82 0.05 1.61 -1.05 -1.25 0.72 118.70 118.86 1o4t s GLU 66 Ca 0.00 -1.06 0.00 0.00 -0.15 0.00 0.00 54.97 53.77 1o4t s GLU 66 Cb 0.00 0.59 -0.03 0.00 -0.44 0.00 0.00 34.13 34.25 1o4t s GLU 66 CO 0.00 -0.84 -0.04 -0.59 0.95 0.00 0.00 175.26 174.73 1o4t s PHE 67 N -3.45 0.54 -0.00 4.83 -0.71 0.30 -3.07 117.98 116.42 1o4t s PHE 67 Ca 0.12 -0.79 0.06 0.00 -1.04 0.00 0.00 56.93 55.28 1o4t s PHE 67 Cb -0.05 -0.36 -0.02 0.00 -1.21 0.00 0.00 43.02 41.38 1o4t s PHE 67 CO 0.08 -0.23 -0.19 -2.00 -1.34 0.00 0.00 175.22 171.53 1o4t s GLU 68 N -2.82 1.51 -0.11 1.99 2.12 -0.22 -0.45 118.70 120.72 1o4t s GLU 68 Ca -0.01 -0.72 0.03 0.00 0.36 0.00 0.00 54.97 54.62 1o4t s GLU 68 Cb -0.01 -1.49 -0.00 0.00 0.26 0.00 0.00 34.13 32.90 1o4t s GLU 68 CO -0.05 0.40 -0.22 0.42 -0.54 0.00 0.00 175.26 175.27 1o4t s ILE 69 N -0.51 2.20 -0.14 -3.70 1.01 -0.75 -0.09 121.20 119.22 1o4t s ILE 69 Ca 0.07 -0.97 -0.06 0.00 0.00 0.00 0.00 60.65 59.70 1o4t s ILE 69 Cb -0.08 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 1o4t s ILE 69 CO -0.00 0.55 0.08 -0.31 0.00 0.00 0.00 174.94 175.26 1o4t s TYR 70 N 0.37 3.36 -0.26 3.97 4.12 0.16 -1.72 117.35 127.36 1o4t s TYR 70 Ca -0.17 0.29 -0.04 0.00 0.02 0.00 0.00 57.07 57.16 1o4t s TYR 70 Cb -0.18 -1.96 0.01 0.00 -1.52 0.00 0.00 41.96 38.32 1o4t s TYR 70 CO 0.08 0.46 -0.01 -0.47 0.02 0.00 0.00 175.55 175.63 1o4t s TYR 71 N -0.47 3.07 -0.15 2.71 5.04 -0.30 0.02 117.35 127.27 1o4t s TYR 71 Ca 0.10 -1.19 -0.29 0.00 -2.44 0.00 0.00 57.07 53.25 1o4t s TYR 71 Cb -0.12 -2.14 -0.01 0.00 0.35 0.00 0.00 41.96 40.04 1o4t s TYR 71 CO 0.02 -0.63 1.18 0.42 -1.34 0.00 0.00 175.55 175.20 1o4t s ILE 72 N 1.43 4.40 -0.19 3.14 -1.09 -0.16 -0.67 121.20 128.05 1o4t s ILE 72 Ca 0.02 1.69 0.04 0.00 -2.23 0.00 0.00 60.65 60.18 1o4t s ILE 72 Cb -0.16 -4.09 -0.21 0.00 -1.58 0.00 0.00 42.46 36.41 1o4t s ILE 72 CO -0.02 -0.11 0.06 0.18 -1.23 0.00 0.00 174.94 173.82 1o4t n LEU 73 N 6.14 2.13 -3.71 2.97 4.77 0.59 -0.36 117.00 129.52 1o4t n LEU 73 Ca 0.12 0.03 -0.14 0.00 -0.03 0.00 0.00 56.01 55.99 1o4t n LEU 73 Cb 0.46 -0.59 -0.08 0.00 -2.33 0.00 0.00 43.42 40.87 1o4t n LEU 73 CO 0.55 0.78 0.12 -0.76 -1.33 0.00 0.00 177.39 176.75 1o4t s LEU 74 N -6.41 0.46 0.00 2.23 1.43 -0.95 -4.77 118.68 110.68 1o4t s LEU 74 Ca -0.24 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1o4t s LEU 74 Cb 0.08 1.55 0.00 0.00 0.03 0.00 0.00 46.19 47.85 1o4t s LEU 74 CO 0.71 -0.42 0.00 0.61 0.23 0.00 0.00 176.35 177.48 1o4t n GLY 75 N 1.51 -1.70 3.08 -3.19 0.00 -1.25 -1.07 105.19 102.57 1o4t n GLY 75 Ca -0.19 -1.48 -0.08 0.00 0.00 0.00 0.00 46.02 44.27 1o4t n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o4t s GLU 76 N 0.00 0.57 0.00 1.61 2.02 -1.26 -2.82 118.70 118.82 1o4t s GLU 76 Ca 0.00 -1.08 0.00 0.00 0.02 0.00 0.00 54.97 53.91 1o4t s GLU 76 Cb 0.00 0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.43 1o4t s GLU 76 CO 0.00 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.58 1o4t n GLY 77 N 0.38 -0.77 2.92 -1.39 0.00 -0.66 -3.69 105.19 101.98 1o4t n GLY 77 Ca -0.16 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 1o4t n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1o4t s VAL 78 N -3.00 0.90 -0.20 1.61 1.01 0.02 -0.44 120.40 120.30 1o4t s VAL 78 Ca 0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 1o4t s VAL 78 Cb 0.00 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 1o4t s VAL 78 CO 0.00 0.33 0.24 0.12 0.00 0.00 0.00 175.10 175.79 1o4t s PHE 79 N 1.37 3.39 -0.21 5.22 5.36 -0.02 -1.00 117.98 132.09 1o4t s PHE 79 Ca -0.02 0.44 -0.07 0.00 -0.96 0.00 0.00 56.93 56.32 1o4t s PHE 79 Cb -0.14 -2.32 -0.03 0.00 -0.34 0.00 0.00 43.02 40.19 1o4t s PHE 79 CO -0.04 0.14 0.06 -1.58 -1.46 0.00 0.00 175.22 172.34 1o4t s HIS 80 N 0.80 3.15 -0.11 10.12 5.65 -0.53 -0.76 115.29 133.61 1o4t s HIS 80 Ca 0.13 -0.18 -0.24 0.00 0.25 0.00 0.00 55.06 55.02 1o4t s HIS 80 Cb -0.13 -2.14 0.06 0.00 -1.18 0.00 0.00 32.58 29.19 1o4t s HIS 80 CO 0.04 -0.10 0.57 0.34 -0.65 0.00 0.00 174.74 174.95 1o4t s ASP 81 N 0.93 -0.55 -1.61 9.88 2.15 -0.58 -2.28 116.67 124.60 1o4t s ASP 81 Ca 0.03 0.76 -0.14 0.00 0.43 0.00 0.00 52.55 53.64 1o4t s ASP 81 Cb -0.14 0.74 0.11 0.00 -0.30 0.00 0.00 42.92 43.33 1o4t s ASP 81 CO 0.03 -0.43 0.76 -3.20 -0.17 0.00 0.00 175.17 172.16 1o4t n ASN 82 N 1.65 -3.07 -0.11 -0.34 5.15 -1.25 -1.56 115.26 115.73 1o4t n ASN 82 Ca -0.18 -0.96 -0.01 0.00 -0.60 0.00 0.00 54.58 52.83 1o4t n ASN 82 Cb 0.56 -3.06 -0.01 0.00 -0.53 0.00 0.00 39.78 36.75 1o4t n ASN 82 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1o4t n GLY 83 N -1.57 0.51 3.13 8.20 0.00 -1.26 -5.02 105.19 109.19 1o4t n GLY 83 Ca -0.00 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 1o4t n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1o4t s LYS 84 N -1.13 1.30 -0.11 1.61 0.00 -0.60 -5.13 119.74 115.68 1o4t s LYS 84 Ca 0.00 -0.56 -0.16 0.00 0.00 0.00 0.00 55.97 55.25 1o4t s LYS 84 Cb 0.00 -1.25 -0.05 0.00 0.00 0.00 0.00 37.83 36.54 1o4t s LYS 84 CO 0.00 0.33 0.40 -0.51 0.00 0.00 0.00 175.35 175.57 1o4t s ASP 85 N -0.33 6.62 -0.10 0.03 1.01 -1.26 -1.53 116.67 121.12 1o4t s ASP 85 Ca 0.05 0.74 0.00 0.00 0.71 0.00 0.00 52.55 54.05 1o4t s ASP 85 Cb -0.06 -2.24 0.02 0.00 1.01 0.00 0.00 42.92 41.64 1o4t s ASP 85 CO -0.00 0.10 -0.08 -0.69 0.21 0.00 0.00 175.17 174.71 1o4t s VAL 86 N 0.21 1.00 0.26 -1.27 1.01 0.06 -4.98 120.40 116.69 1o4t s VAL 86 Ca 0.22 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 1o4t s VAL 86 Cb -0.15 -0.99 -0.09 0.00 0.00 0.00 0.00 36.38 35.14 1o4t s VAL 86 CO 0.09 0.35 1.29 -2.16 0.00 0.00 0.00 175.10 174.66 1o4t s PRO 87 N 1.41 4.41 0.19 2.72 0.04 -1.26 -0.84 135.00 141.66 1o4t s PRO 87 Ca -0.01 2.09 0.06 0.00 0.04 0.00 0.00 61.00 63.18 1o4t s PRO 87 Cb -0.13 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 31.21 1o4t s PRO 87 CO -0.05 -0.17 -0.11 0.96 0.04 0.00 0.00 177.00 177.67 1o4t s ILE 88 N -0.52 1.45 0.24 0.56 -5.25 0.42 -4.91 121.20 113.18 1o4t s ILE 88 Ca 0.52 -2.13 -0.15 0.00 -0.99 0.00 0.00 60.65 57.90 1o4t s ILE 88 Cb -0.37 -2.01 0.01 0.00 2.95 0.00 0.00 42.46 43.04 1o4t s ILE 88 CO 0.44 -0.62 0.51 -1.59 -1.79 0.00 0.00 174.94 171.89 1o4t s LYS 89 N -3.71 1.52 -0.04 0.37 -2.85 -1.26 -1.65 119.74 112.12 1o4t s LYS 89 Ca 0.21 -1.12 -0.38 0.00 -1.00 0.00 0.00 55.97 53.68 1o4t s LYS 89 Cb 0.01 0.50 -0.19 0.00 -2.06 0.00 0.00 37.83 36.09 1o4t s LYS 89 CO 0.05 -0.64 1.05 0.00 0.10 0.00 0.00 175.35 175.91 1o4t n ALA 90 N -0.37 -3.30 0.00 0.59 0.00 -1.13 -1.17 120.51 115.13 1o4t n ALA 90 Ca -0.04 0.56 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1o4t n ALA 90 Cb 0.62 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1o4t n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o4t n GLY 91 N 1.62 1.70 3.76 0.00 0.00 0.51 -4.99 105.19 107.78 1o4t n GLY 91 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1o4t n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1o4t s ASP 92 N -1.56 7.58 -0.19 1.61 1.01 -0.32 -4.84 116.67 119.96 1o4t s ASP 92 Ca 0.00 1.94 -0.08 0.00 0.71 0.00 0.00 52.55 55.12 1o4t s ASP 92 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 1o4t s ASP 92 CO 0.00 0.11 0.08 -0.69 0.21 0.00 0.00 175.17 174.88 1o4t s VAL 93 N -1.26 4.93 -0.21 -1.27 1.01 -1.26 -0.99 120.40 121.34 1o4t s VAL 93 Ca 0.43 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.39 1o4t s VAL 93 Cb -0.25 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 1o4t s VAL 93 CO 0.31 0.44 -0.06 0.00 0.00 0.00 0.00 175.10 175.79 1o4t s PHE 95 N 1.37 2.98 -0.17 0.00 5.36 -1.26 0.38 117.98 126.64 1o4t s PHE 95 Ca 0.05 -0.76 0.00 0.00 -0.96 0.00 0.00 56.93 55.26 1o4t s PHE 95 Cb -0.14 -2.10 0.01 0.00 -0.34 0.00 0.00 43.02 40.45 1o4t s PHE 95 CO -0.04 -0.44 -0.17 0.99 -1.46 0.00 0.00 175.22 174.11 1o4t s THR 96 N 1.31 2.41 0.57 0.12 2.01 0.87 -5.02 115.64 117.91 1o4t s THR 96 Ca 0.04 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.20 1o4t s THR 96 Cb -0.14 -2.02 0.04 0.00 0.01 0.00 0.00 72.50 70.38 1o4t s THR 96 CO -0.01 0.52 0.80 -0.62 -0.69 0.00 0.00 174.62 174.62 1o4t s ASP 97 N 1.12 5.24 0.29 3.53 -1.08 -1.26 -1.06 116.67 123.45 1o4t s ASP 97 Ca 0.01 0.06 -0.30 0.00 -0.52 0.00 0.00 52.55 51.80 1o4t s ASP 97 Cb -0.14 -0.93 -0.12 0.00 -1.46 0.00 0.00 42.92 40.27 1o4t s ASP 97 CO -0.06 -1.19 1.61 -0.24 0.52 0.00 0.00 175.17 175.81 1o4t n SER 98 N -2.41 3.90 0.00 -0.34 2.88 -1.17 -1.88 113.62 114.59 1o4t n SER 98 Ca 0.08 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 1o4t n SER 98 Cb 0.60 -1.60 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 1o4t n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1o4t n GLY 99 N 2.24 2.47 3.90 0.46 0.00 0.14 -4.96 105.19 109.44 1o4t n GLY 99 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 1o4t n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o4t s GLU 100 N -0.64 3.61 0.07 1.61 2.02 -0.79 -4.84 118.70 119.74 1o4t s GLU 100 Ca 0.00 0.12 0.07 0.00 0.02 0.00 0.00 54.97 55.18 1o4t s GLU 100 Cb 0.00 -2.51 -0.04 0.00 0.10 0.00 0.00 34.13 31.69 1o4t s GLU 100 CO 0.00 0.01 -0.14 -1.12 0.02 0.00 0.00 175.26 174.03 1o4t s SER 101 N -3.60 4.11 0.22 -0.19 0.01 -1.26 -1.93 113.70 111.05 1o4t s SER 101 Ca 0.46 -0.40 -0.05 0.00 1.31 0.00 0.00 55.95 57.27 1o4t s SER 101 Cb -0.10 -0.73 -0.03 0.00 0.21 0.00 0.00 66.02 65.37 1o4t s SER 101 CO 0.36 0.22 0.26 -1.38 0.41 0.00 0.00 173.24 173.11 1o4t s HIS 102 N -1.06 0.85 0.23 2.43 -3.43 0.17 -3.90 115.29 110.58 1o4t s HIS 102 Ca 0.17 -1.13 -0.17 0.00 -0.80 0.00 0.00 55.06 53.14 1o4t s HIS 102 Cb -0.11 -0.28 0.02 0.00 -1.43 0.00 0.00 32.58 30.78 1o4t s HIS 102 CO 0.09 -0.77 0.55 -1.54 -2.00 0.00 0.00 174.74 171.07 1o4t s SER 103 N -3.10 -0.21 -0.17 7.38 1.04 -0.97 -1.29 113.70 116.38 1o4t s SER 103 Ca 0.32 -0.64 -0.12 0.00 0.48 0.00 0.00 55.95 55.99 1o4t s SER 103 Cb 0.04 0.61 0.05 0.00 0.10 0.00 0.00 66.02 66.83 1o4t s SER 103 CO 0.11 -1.14 0.43 -0.51 0.98 0.00 0.00 173.24 173.10 1o4t s ILE 104 N -3.92 -0.01 -0.03 -1.02 2.07 -0.86 -1.45 121.20 115.97 1o4t s ILE 104 Ca 0.13 0.04 0.05 0.00 -1.41 0.00 0.00 60.65 59.47 1o4t s ILE 104 Cb -0.02 -0.62 -0.01 0.00 0.13 0.00 0.00 42.46 41.94 1o4t s ILE 104 CO 0.03 0.02 -0.18 -0.70 -1.91 0.00 0.00 174.94 172.20 1o4t s GLU 105 N 0.82 1.66 -0.62 3.50 2.12 -0.17 -0.70 118.70 125.31 1o4t s GLU 105 Ca -0.05 -0.64 -0.26 0.00 0.36 0.00 0.00 54.97 54.38 1o4t s GLU 105 Cb -0.06 -1.51 0.04 0.00 0.26 0.00 0.00 34.13 32.86 1o4t s GLU 105 CO -0.06 0.33 1.10 1.21 -0.54 0.00 0.00 175.26 177.29 1o4t s ASN 106 N -0.21 6.31 -0.03 -1.70 3.84 -0.19 -0.80 114.94 122.17 1o4t s ASN 106 Ca 0.02 -0.32 0.19 0.00 0.21 0.00 0.00 52.86 52.96 1o4t s ASN 106 Cb -0.09 -2.50 0.60 0.00 -0.55 0.00 0.00 41.25 38.71 1o4t s ASN 106 CO 0.01 -1.47 1.50 0.35 -2.79 0.00 0.00 177.10 174.70 1o4t n THR 107 N 6.35 1.08 -3.49 -5.21 -2.24 -1.24 -2.50 114.28 107.03 1o4t n THR 107 Ca 0.03 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 1o4t n THR 107 Cb 0.48 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 1o4t n THR 107 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1o4t n GLY 108 N 1.43 3.07 0.70 3.38 0.00 -1.26 -4.97 105.19 107.55 1o4t n GLY 108 Ca 0.22 -2.17 0.07 0.00 0.00 0.00 0.00 46.02 44.14 1o4t n GLY 108 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1o4t n ASN 109 N -1.99 2.86 -4.46 1.61 3.02 -1.26 -4.39 115.26 110.66 1o4t n ASN 109 Ca 0.00 -1.89 -0.22 0.00 -0.03 0.00 0.00 54.58 52.44 1o4t n ASN 109 Cb 0.00 -0.21 -0.11 0.00 -0.61 0.00 0.00 39.78 38.86 1o4t n ASN 109 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1o4t s THR 110 N -1.02 1.25 0.32 3.41 -4.23 -1.26 -4.89 115.64 109.22 1o4t s THR 110 Ca 0.25 -2.01 -0.29 0.00 -1.18 0.00 0.00 61.69 58.46 1o4t s THR 110 Cb 0.13 -2.78 -0.11 0.00 1.34 0.00 0.00 72.50 71.08 1o4t s THR 110 CO 0.18 -0.02 1.55 -1.81 -0.54 0.00 0.00 174.62 173.98 1o4t s ASP 111 N -3.49 6.36 -0.30 3.99 1.01 -1.26 -4.34 116.67 118.64 1o4t s ASP 111 Ca 0.36 2.99 -0.15 0.00 0.71 0.00 0.00 52.55 56.46 1o4t s ASP 111 Cb 0.09 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 1o4t s ASP 111 CO 0.15 -0.90 0.38 -0.22 0.21 0.00 0.00 175.17 174.80 1o4t s LEU 112 N -1.11 4.17 0.09 1.23 2.96 -0.54 -3.81 118.68 121.67 1o4t s LEU 112 Ca 0.59 0.12 0.09 0.00 -0.22 0.00 0.00 54.13 54.71 1o4t s LEU 112 Cb -0.47 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 43.77 1o4t s LEU 112 CO 0.54 -0.25 -0.24 -1.61 -1.32 0.00 0.00 176.35 173.47 1o4t s GLU 113 N 2.08 1.70 0.12 1.98 2.02 -0.23 -0.68 118.70 125.69 1o4t s GLU 113 Ca 0.14 -1.19 -0.20 0.00 0.02 0.00 0.00 54.97 53.75 1o4t s GLU 113 Cb -0.16 -2.01 0.05 0.00 0.10 0.00 0.00 34.13 32.11 1o4t s GLU 113 CO 0.11 0.49 0.49 -0.59 0.02 0.00 0.00 175.26 175.77 1o4t s PHE 114 N -0.98 -0.35 0.05 1.61 -0.12 -0.64 -0.30 117.98 117.24 1o4t s PHE 114 Ca 0.14 0.15 -0.20 0.00 -0.05 0.00 0.00 56.93 56.97 1o4t s PHE 114 Cb -0.10 0.37 -0.06 0.00 -0.63 0.00 0.00 43.02 42.59 1o4t s PHE 114 CO 0.06 -0.73 0.60 -1.17 -0.05 0.00 0.00 175.22 173.93 1o4t s LEU 115 N -2.60 4.49 -0.09 -1.99 2.96 0.16 0.08 118.68 121.70 1o4t s LEU 115 Ca 0.00 1.26 0.03 0.00 -0.22 0.00 0.00 54.13 55.20 1o4t s LEU 115 Cb 0.00 -2.95 0.01 0.00 0.50 0.00 0.00 46.19 43.75 1o4t s LEU 115 CO -0.10 0.19 -0.16 0.00 -1.32 0.00 0.00 176.35 174.96 1o4t s ALA 116 N -0.72 1.61 -0.08 5.97 0.00 0.78 -1.15 121.76 128.16 1o4t s ALA 116 Ca 0.31 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1o4t s ALA 116 Cb -0.19 -0.70 0.02 0.00 0.00 0.00 0.00 23.12 22.25 1o4t s ALA 116 CO 0.19 0.10 -0.05 0.08 0.00 0.00 0.00 175.76 176.08 1o4t s VAL 117 N 0.68 0.75 -0.20 0.00 1.01 -0.70 -1.10 120.40 120.85 1o4t s VAL 117 Ca -0.13 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 1o4t s VAL 117 Cb -0.16 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 1o4t s VAL 117 CO 0.04 0.30 -0.02 -0.63 0.00 0.00 0.00 175.10 174.79 1o4t s ILE 118 N 1.46 3.80 -0.12 2.22 1.01 -0.38 -1.81 121.20 127.37 1o4t s ILE 118 Ca -0.01 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.28 1o4t s ILE 118 Cb -0.13 -2.71 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 1o4t s ILE 118 CO -0.04 0.43 -0.17 -0.63 0.00 0.00 0.00 174.94 174.54 1o4t s ILE 119 N 1.03 2.72 0.21 2.92 1.01 0.41 -1.36 121.20 128.14 1o4t s ILE 119 Ca 0.01 -0.79 -0.30 0.00 0.00 0.00 0.00 60.65 59.58 1o4t s ILE 119 Cb -0.14 -2.11 -0.08 0.00 0.01 0.00 0.00 42.46 40.13 1o4t s ILE 119 CO 0.01 0.54 1.09 -0.76 0.00 0.00 0.00 174.94 175.82 1o4t s LEU 120 N 0.29 4.52 0.00 2.97 1.43 -0.64 -0.54 118.68 126.71 1o4t s LEU 120 Ca -0.12 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 1o4t s LEU 120 Cb -0.16 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1o4t s LEU 120 CO 0.06 -0.16 0.00 0.18 0.23 0.00 0.00 176.35 176.66