#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1i h LYS 6 N 0.00 0.96 -0.50 1.09 6.56 -2.07 -0.07 116.57 122.54 1s1i h LYS 6 Ca 0.00 -0.13 -0.06 0.00 -1.06 0.00 0.00 60.65 59.40 1s1i h LYS 6 Cb 0.00 -0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 31.46 1s1i h LYS 6 CO 0.00 0.75 0.07 0.00 -2.06 0.00 0.00 179.45 178.22 1s1i h THR 7 N 0.93 1.23 -0.43 -0.16 1.03 -2.05 -1.88 112.91 111.58 1s1i h THR 7 Ca 0.23 -0.88 0.02 0.00 -0.01 0.00 0.00 66.41 65.78 1s1i h THR 7 Cb 0.10 0.76 -0.03 0.00 -1.07 0.00 0.00 68.15 67.91 1s1i h THR 7 CO -0.03 0.32 0.24 -0.09 -0.01 0.00 0.00 175.52 175.95 1s1i h ARG 8 N 0.76 0.47 -6.32 0.00 2.43 -1.56 -3.33 114.38 106.84 1s1i h ARG 8 Ca 0.16 -0.03 -0.57 0.00 -0.81 0.00 0.00 59.98 58.73 1s1i h ARG 8 Cb 0.35 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.75 1s1i h ARG 8 CO 0.01 0.31 0.98 0.15 -1.51 0.00 0.00 179.97 179.91 1s1i s LYS 9 N -6.15 3.94 0.00 0.20 3.01 -0.22 -4.58 119.74 115.93 1s1i s LYS 9 Ca -0.13 1.34 0.00 0.00 -1.01 0.00 0.00 55.97 56.17 1s1i s LYS 9 Cb 0.12 -3.88 0.00 0.00 -1.01 0.00 0.00 37.83 33.06 1s1i s LYS 9 CO 0.73 -1.09 0.00 -2.39 0.51 0.00 0.00 175.35 173.10 1s1i n HIS 10 N 7.60 0.00 -1.32 3.18 1.44 -1.25 -4.85 115.22 120.02 1s1i n HIS 10 Ca 0.15 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.54 1s1i n HIS 10 Cb 0.46 0.17 0.09 0.00 0.12 0.00 0.00 29.99 30.84 1s1i n HIS 10 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1s1i s ARG 11 N -1.85 2.24 0.00 -1.40 3.00 -1.26 -2.90 118.95 116.78 1s1i s ARG 11 Ca 0.00 1.29 0.00 0.00 -1.00 0.00 0.00 55.73 56.02 1s1i s ARG 11 Cb 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 34.95 33.06 1s1i s ARG 11 CO 0.00 -1.67 0.00 0.41 0.00 0.00 0.00 175.30 174.04 1s1i n GLY 12 N -0.82 3.22 3.06 8.12 0.00 -1.26 -4.98 105.19 112.53 1s1i n GLY 12 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1s1i n GLY 12 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1s1i s HIS 13 N -2.85 1.91 0.20 1.61 -3.43 -1.14 -5.09 115.29 106.50 1s1i s HIS 13 Ca 0.00 -0.86 -0.30 0.00 -0.80 0.00 0.00 55.06 53.10 1s1i s HIS 13 Cb 0.00 -1.38 -0.08 0.00 -1.43 0.00 0.00 32.58 29.69 1s1i s HIS 13 CO 0.00 -0.44 1.18 0.54 -2.00 0.00 0.00 174.74 174.02 1s1i s VAL 14 N 0.91 3.53 0.21 -5.38 0.11 -1.26 -4.46 120.40 114.06 1s1i s VAL 14 Ca -0.08 1.33 0.00 0.00 -2.93 0.00 0.00 61.98 60.30 1s1i s VAL 14 Cb -0.15 -3.85 0.00 0.00 -1.53 0.00 0.00 36.38 30.85 1s1i s VAL 14 CO -0.00 0.23 0.00 -0.24 -3.33 0.00 0.00 175.10 171.76 1s1i n SER 15 N 2.24 -5.82 -4.59 3.54 2.88 -1.26 -4.80 113.62 105.81 1s1i n SER 15 Ca 0.03 0.70 -0.28 0.00 -1.33 0.00 0.00 58.87 57.99 1s1i n SER 15 Cb 0.45 -2.15 -0.09 0.00 -0.75 0.00 0.00 64.21 61.66 1s1i n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s1i s ALA 16 N -1.63 2.98 0.00 -1.46 0.00 -1.26 -4.90 121.76 115.49 1s1i s ALA 16 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1s1i s ALA 16 Cb 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.26 1s1i s ALA 16 CO 0.00 0.57 0.00 0.41 0.00 0.00 0.00 175.76 176.74 1s1i n GLY 17 N 0.41 0.36 3.71 0.00 0.00 -1.26 -4.78 105.19 103.63 1s1i n GLY 17 Ca -0.12 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 1s1i n GLY 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s1i s LYS 18 N 0.00 4.13 -0.03 1.61 2.36 -1.26 -4.88 119.74 121.67 1s1i s LYS 18 Ca 0.00 2.60 -0.30 0.00 -2.55 0.00 0.00 55.97 55.72 1s1i s LYS 18 Cb 0.00 -3.18 -0.04 0.00 -1.05 0.00 0.00 37.83 33.56 1s1i s LYS 18 CO 0.00 -0.76 1.22 0.20 1.55 0.00 0.00 175.35 177.56 1s1i s GLY 19 N 1.47 2.13 0.00 5.54 0.00 -1.26 -4.89 107.32 110.31 1s1i s GLY 19 Ca 0.76 0.69 0.00 0.00 0.00 0.00 0.00 44.72 46.17 1s1i s GLY 19 CO 0.33 2.22 0.00 -2.13 0.00 0.00 0.00 173.10 173.52 1s1i n ARG 20 N 5.00 0.00 -5.05 2.90 3.00 -1.26 -5.01 116.66 116.24 1s1i n ARG 20 Ca 0.11 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.64 1s1i n ARG 20 Cb 0.46 0.00 -0.15 0.00 0.00 0.00 0.00 32.46 32.77 1s1i n ARG 20 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 1s1i s ILE 21 N -2.00 2.59 -0.72 5.15 1.10 -1.26 -4.12 121.20 121.94 1s1i s ILE 21 Ca 0.00 -0.88 0.00 0.00 -0.51 0.00 0.00 60.65 59.26 1s1i s ILE 21 Cb 0.00 -2.00 0.00 0.00 0.15 0.00 0.00 42.46 40.61 1s1i s ILE 21 CO 0.00 0.57 0.00 0.61 -2.11 0.00 0.00 174.94 174.01 1s1i n GLY 22 N 2.79 0.82 0.00 1.50 0.00 -1.26 -4.98 105.19 104.06 1s1i n GLY 22 Ca -0.17 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1s1i n GLY 22 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1s1i n LYS 23 N -2.67 0.65 -1.64 1.61 -0.00 -1.26 -4.83 118.16 110.02 1s1i n LYS 23 Ca -0.07 0.00 -0.55 0.00 -0.00 0.00 0.00 58.31 57.69 1s1i n LYS 23 Cb 0.27 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 35.23 1s1i n LYS 23 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1s1i n HIS 24 N -0.74 1.67 -2.50 5.58 -0.00 -1.26 -4.93 115.22 113.03 1s1i n HIS 24 Ca 0.00 0.65 0.00 0.00 -0.00 0.00 0.00 57.72 58.37 1s1i n HIS 24 Cb 0.00 -2.36 0.00 0.00 -0.00 0.00 0.00 29.99 27.63 1s1i n HIS 24 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23 1s1i n ARG 25 N 3.58 1.27 -1.69 1.57 0.00 -1.26 -5.03 116.66 115.09 1s1i n ARG 25 Ca 0.22 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.64 1s1i n ARG 25 Cb 0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 32.46 32.58 1s1i n ARG 25 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1s1i s LYS 26 N 1.50 3.66 0.24 2.89 -0.14 -1.26 -4.82 119.74 121.81 1s1i s LYS 26 Ca 0.00 2.26 -0.21 0.00 -1.36 0.00 0.00 55.97 56.65 1s1i s LYS 26 Cb 0.00 -4.24 0.05 0.00 -1.68 0.00 0.00 37.83 31.96 1s1i s LYS 26 CO 0.00 -1.49 0.88 -1.01 -0.76 0.00 0.00 175.35 172.97 1s1i s HIS 27 N 6.22 -0.05 0.23 3.18 3.76 -1.26 -4.76 115.29 122.61 1s1i s HIS 27 Ca 0.92 -0.40 0.13 0.00 -0.15 0.00 0.00 55.06 55.56 1s1i s HIS 27 Cb -0.37 0.71 0.46 0.00 1.11 0.00 0.00 32.58 34.50 1s1i s HIS 27 CO 0.37 -1.11 1.65 -1.35 -0.85 0.00 0.00 174.74 173.46 1s1i h PRO 28 N 2.00 0.00 0.00 8.40 0.11 -1.91 -3.48 132.00 137.12 1s1i h PRO 28 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1s1i h PRO 28 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1s1i h PRO 28 CO 0.30 0.53 0.00 0.41 -0.21 0.00 0.00 178.00 179.04 1s1i n GLY 29 N 0.25 2.83 0.11 -0.55 0.00 -1.26 -5.03 105.19 101.55 1s1i n GLY 29 Ca -0.01 -0.69 0.02 0.00 0.00 0.00 0.00 46.02 45.34 1s1i n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s1i n GLY 30 N -0.80 -1.62 3.46 -0.02 0.00 -1.26 -4.47 105.19 100.48 1s1i n GLY 30 Ca 0.00 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.20 1s1i n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s1i s ARG 31 N -1.54 2.86 4.79 1.61 1.81 -1.26 -4.92 118.95 122.31 1s1i s ARG 31 Ca 0.00 -0.67 0.00 0.00 -1.72 0.00 0.00 55.73 53.34 1s1i s ARG 31 Cb 0.00 -2.51 0.00 0.00 -0.45 0.00 0.00 34.95 31.99 1s1i s ARG 31 CO 0.00 0.48 0.00 0.41 -0.68 0.00 0.00 175.30 175.51 1s1i n GLY 32 N 2.74 1.61 3.76 -3.53 0.00 -1.26 -4.53 105.19 103.97 1s1i n GLY 32 Ca -0.18 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.84 1s1i n GLY 32 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s1i s MET 33 N 0.00 3.54 1.15 1.61 -1.94 -1.26 -4.95 119.30 117.44 1s1i s MET 33 Ca 0.00 2.01 -0.18 0.00 -1.71 0.00 0.00 55.69 55.80 1s1i s MET 33 Cb 0.00 -2.39 0.27 0.00 2.01 0.00 0.00 34.83 34.72 1s1i s MET 33 CO 0.00 -0.80 1.13 0.00 -0.01 0.00 0.00 175.02 175.34 1s1i s ALA 34 N -1.41 0.84 0.31 3.03 0.00 -1.26 -4.86 121.76 118.40 1s1i s ALA 34 Ca 0.66 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 51.40 1s1i s ALA 34 Cb -0.34 -2.89 -0.12 0.00 0.00 0.00 0.00 23.12 19.76 1s1i s ALA 34 CO 0.42 -3.37 1.52 0.41 0.00 0.00 0.00 175.76 174.74 1s1i n GLY 35 N -1.31 1.17 3.57 0.00 0.00 -1.26 -4.77 105.19 102.59 1s1i n GLY 35 Ca 0.13 0.42 -0.34 0.00 0.00 0.00 0.00 46.02 46.23 1s1i n GLY 35 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s1i s GLY 36 N 0.27 0.72 -0.01 -0.02 0.00 -1.26 -4.65 107.32 102.37 1s1i s GLY 36 Ca 0.61 -2.30 -0.05 0.00 0.00 0.00 0.00 44.72 42.99 1s1i s GLY 36 CO 0.53 3.21 0.22 -1.84 0.00 0.00 0.00 173.10 175.22 1s1i n GLU 37 N 8.47 0.01 -3.10 2.90 0.28 -1.26 -5.15 120.64 122.79 1s1i n GLU 37 Ca 0.44 -0.09 -0.32 0.00 -0.16 0.00 0.00 57.16 57.03 1s1i n GLU 37 Cb 0.47 0.18 -0.05 0.00 1.43 0.00 0.00 31.44 33.46 1s1i n GLU 37 CO 0.00 0.00 0.00 -3.38 -0.16 0.00 0.00 177.13 173.59 1s1i s HIS 38 N -2.24 3.41 0.23 -1.84 -3.43 -1.26 -4.59 115.29 105.57 1s1i s HIS 38 Ca 0.05 1.09 -0.09 0.00 -0.80 0.00 0.00 55.06 55.32 1s1i s HIS 38 Cb -0.00 -2.45 -0.02 0.00 -1.43 0.00 0.00 32.58 28.69 1s1i s HIS 38 CO -0.00 0.06 0.36 -1.01 -2.00 0.00 0.00 174.74 172.15 1s1i s HIS 39 N -2.09 0.64 -1.23 0.38 3.76 -1.25 -4.99 115.29 110.51 1s1i s HIS 39 Ca 0.52 -0.95 -0.20 0.00 -0.15 0.00 0.00 55.06 54.28 1s1i s HIS 39 Cb -0.10 -0.06 0.02 0.00 1.11 0.00 0.00 32.58 33.55 1s1i s HIS 39 CO 0.23 -0.88 1.78 -3.38 -0.85 0.00 0.00 174.74 171.63 1s1i s HIS 40 N -4.04 2.50 -1.44 1.40 -3.43 -1.26 -3.84 115.29 105.19 1s1i s HIS 40 Ca 0.28 -0.92 0.00 0.00 -0.80 0.00 0.00 55.06 53.62 1s1i s HIS 40 Cb 0.02 -4.53 0.00 0.00 -1.43 0.00 0.00 32.58 26.64 1s1i s HIS 40 CO 0.10 -1.65 0.00 2.89 -2.00 0.00 0.00 174.74 174.08 1s1i n ARG 41 N 8.42 -1.62 -0.01 -0.38 1.85 -1.26 -4.86 116.66 118.80 1s1i n ARG 41 Ca 0.46 0.95 -0.13 0.00 -1.00 0.00 0.00 57.85 58.14 1s1i n ARG 41 Cb 0.47 -5.34 -0.10 0.00 -1.05 0.00 0.00 32.46 26.43 1s1i n ARG 41 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 1s1i h ILE 42 N 0.00 1.40 -1.97 8.89 2.04 -1.96 -3.47 117.51 122.43 1s1i h ILE 42 Ca -0.28 -1.35 -0.04 0.00 1.00 0.00 0.00 64.86 64.19 1s1i h ILE 42 Cb 1.19 2.29 -0.20 0.00 -0.74 0.00 0.00 36.82 39.37 1s1i h ILE 42 CO 0.41 0.34 0.18 0.21 0.00 0.00 0.00 178.15 179.29 1s1i s ASN 43 N -5.75 -0.69 0.00 1.72 3.84 -1.26 -4.82 114.94 107.97 1s1i s ASN 43 Ca -0.16 1.06 0.00 0.00 0.21 0.00 0.00 52.86 53.97 1s1i s ASN 43 Cb 0.01 0.99 0.00 0.00 -0.55 0.00 0.00 41.25 41.69 1s1i s ASN 43 CO 0.65 -0.42 0.00 0.80 -2.79 0.00 0.00 177.10 175.35 1s1i n MET 44 N 1.79 0.00 -2.94 0.43 1.56 -1.26 -3.96 117.12 112.74 1s1i n MET 44 Ca -0.16 0.00 -0.11 0.00 -0.27 0.00 0.00 57.70 57.16 1s1i n MET 44 Cb 0.56 0.00 0.01 0.00 2.15 0.00 0.00 33.22 35.94 1s1i n MET 44 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1s1i n ASP 45 N 0.00 -7.69 0.00 6.12 8.00 -1.26 -4.69 116.55 117.03 1s1i n ASP 45 Ca 0.00 0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.91 1s1i n ASP 45 Cb 0.00 -5.00 0.00 0.00 -0.02 0.00 0.00 41.12 36.10 1s1i n ASP 45 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1s1i n LYS 46 N -0.42 0.00 -4.40 -1.24 5.02 -1.26 -4.93 118.16 110.93 1s1i n LYS 46 Ca 0.09 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.17 1s1i n LYS 46 Cb 0.49 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.40 1s1i n LYS 46 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1s1i s TYR 47 N 0.00 1.97 -0.37 2.13 2.02 -1.26 -5.02 117.35 116.82 1s1i s TYR 47 Ca 0.00 -0.46 0.05 0.00 -0.37 0.00 0.00 57.07 56.29 1s1i s TYR 47 Cb 0.00 -0.88 0.29 0.00 -0.40 0.00 0.00 41.96 40.97 1s1i s TYR 47 CO 0.00 0.52 1.26 -2.39 -1.57 0.00 0.00 175.55 173.37 1s1i n HIS 48 N -0.48 -1.39 -1.96 2.71 1.44 -1.26 -4.96 115.22 109.33 1s1i n HIS 48 Ca -0.07 -1.29 -0.29 0.00 -2.01 0.00 0.00 57.72 54.06 1s1i n HIS 48 Cb 0.60 1.37 0.06 0.00 0.12 0.00 0.00 29.99 32.13 1s1i n HIS 48 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 1s1i s PRO 49 N 0.13 2.61 0.31 -1.40 0.02 -1.26 -4.67 135.00 130.73 1s1i s PRO 49 Ca 0.18 0.28 0.00 0.00 0.02 0.00 0.00 61.00 61.49 1s1i s PRO 49 Cb 0.27 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.75 1s1i s PRO 49 CO -0.12 -1.15 0.00 0.41 -0.33 0.00 0.00 177.00 175.82 1s1i n GLY 50 N -3.03 2.18 0.00 0.52 0.00 -1.26 -4.92 105.19 98.68 1s1i n GLY 50 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1s1i n GLY 50 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s1i n TYR 51 N 0.00 0.00 0.00 1.61 4.02 -1.26 -3.35 117.16 118.18 1s1i n TYR 51 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1s1i n TYR 51 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1s1i n TYR 51 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1s1i n PHE 52 N 0.02 0.00 0.00 -0.72 7.35 -1.26 -5.07 117.46 117.78 1s1i n PHE 52 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1s1i n PHE 52 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1s1i n PHE 52 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1s1i n GLY 53 N 0.00 1.30 3.15 7.13 0.00 -1.21 -5.06 105.19 110.49 1s1i n GLY 53 Ca 0.00 -0.79 0.05 0.00 0.00 0.00 0.00 46.02 45.28 1s1i n GLY 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s1i s LYS 54 N -0.58 0.20 0.36 1.61 2.20 -1.26 -5.13 119.74 117.14 1s1i s LYS 54 Ca 0.00 0.29 -0.28 0.00 -0.36 0.00 0.00 55.97 55.61 1s1i s LYS 54 Cb 0.00 0.15 -0.12 0.00 -1.51 0.00 0.00 37.83 36.35 1s1i s LYS 54 CO 0.00 -0.30 1.42 0.28 -0.36 0.00 0.00 175.35 176.39 1s1i n VAL 55 N 5.32 1.93 0.00 4.02 0.31 -1.26 -4.71 118.33 123.94 1s1i n VAL 55 Ca 0.01 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 1s1i n VAL 55 Cb 0.55 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 1s1i n VAL 55 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1s1i n GLY 56 N 0.69 0.09 3.35 2.92 0.00 -1.26 -5.00 105.19 105.98 1s1i n GLY 56 Ca 0.03 -1.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.02 1s1i n GLY 56 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1s1i s MET 57 N -2.77 2.00 -0.03 1.61 1.75 -1.26 -5.07 119.30 115.53 1s1i s MET 57 Ca 0.00 -1.00 -0.13 0.00 -1.25 0.00 0.00 55.69 53.31 1s1i s MET 57 Cb 0.00 -2.05 0.02 0.00 2.84 0.00 0.00 34.83 35.64 1s1i s MET 57 CO 0.00 0.54 0.29 0.50 -0.65 0.00 0.00 175.02 175.71 1s1i s ARG 58 N -0.96 0.59 -0.04 4.11 3.52 -1.26 -5.14 118.95 119.77 1s1i s ARG 58 Ca 0.11 -0.10 0.03 0.00 -0.13 0.00 0.00 55.73 55.64 1s1i s ARG 58 Cb -0.10 0.27 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 1s1i s ARG 58 CO 0.01 -0.15 -0.13 -0.47 -0.81 0.00 0.00 175.30 173.75 1s1i s TYR 59 N -1.06 1.34 0.14 5.12 5.04 -1.26 -5.03 117.35 121.64 1s1i s TYR 59 Ca -0.11 -0.39 -0.14 0.00 -2.44 0.00 0.00 57.07 53.98 1s1i s TYR 59 Cb -0.05 -0.94 0.02 0.00 0.35 0.00 0.00 41.96 41.34 1s1i s TYR 59 CO 0.03 -0.16 1.68 0.27 -1.34 0.00 0.00 175.55 176.03 1s1i h PHE 60 N 6.46 0.72 -0.78 4.97 -0.00 -2.01 -0.49 116.94 125.82 1s1i h PHE 60 Ca -0.33 -0.07 -0.04 0.00 -0.00 0.00 0.00 57.97 57.54 1s1i h PHE 60 Cb 1.17 -0.21 -0.03 0.00 -0.00 0.00 0.00 35.95 36.88 1s1i h PHE 60 CO 0.45 0.63 0.32 0.45 -0.00 0.00 0.00 178.31 180.16 1s1i h HIS 61 N 0.60 1.18 -1.86 6.09 3.86 -1.91 -3.39 115.15 119.72 1s1i h HIS 61 Ca 0.15 -0.08 -0.59 0.00 -1.16 0.00 0.00 60.37 58.68 1s1i h HIS 61 Cb 0.24 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 1s1i h HIS 61 CO 0.01 0.89 1.50 1.17 0.86 0.00 0.00 177.93 182.36 1s1i n LYS 62 N -4.31 1.81 0.00 2.45 0.00 -0.19 -3.76 118.16 114.17 1s1i n LYS 62 Ca 0.07 0.48 0.00 0.00 0.00 0.00 0.00 58.31 58.86 1s1i n LYS 62 Cb 0.18 -3.17 0.00 0.00 0.00 0.00 0.00 35.03 32.04 1s1i n LYS 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s1i n GLN 63 N 8.73 0.00 -1.17 1.64 10.64 -1.26 -4.48 117.38 131.48 1s1i n GLN 63 Ca 0.32 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 55.17 1s1i n GLN 63 Cb 0.43 0.00 0.11 0.00 -0.86 0.00 0.00 30.24 29.92 1s1i n GLN 63 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 1s1i s GLN 64 N -2.00 1.89 -1.62 2.61 2.00 -1.26 -1.90 119.66 119.38 1s1i s GLN 64 Ca 0.00 1.45 -0.01 0.00 -2.00 0.00 0.00 55.36 54.81 1s1i s GLN 64 Cb 0.00 -1.83 0.00 0.00 0.80 0.00 0.00 33.01 31.98 1s1i s GLN 64 CO 0.00 -1.97 0.10 0.00 -0.50 0.00 0.00 175.29 172.92 1s1i n ALA 65 N -3.45 -0.63 -2.45 1.58 0.00 -1.26 -4.92 120.51 109.39 1s1i n ALA 65 Ca 0.11 0.18 -0.23 0.00 0.00 0.00 0.00 53.44 53.49 1s1i n ALA 65 Cb 0.52 -2.35 -0.10 0.00 0.00 0.00 0.00 19.45 17.52 1s1i n ALA 65 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1s1i s HIS 66 N -2.99 2.19 0.47 0.00 5.65 -0.80 -4.85 115.29 114.94 1s1i s HIS 66 Ca 0.05 -0.37 -0.21 0.00 0.25 0.00 0.00 55.06 54.77 1s1i s HIS 66 Cb -0.02 -0.97 -0.08 0.00 -1.18 0.00 0.00 32.58 30.33 1s1i s HIS 66 CO 0.06 0.63 1.06 -0.06 -0.65 0.00 0.00 174.74 175.78 1s1i s PHE 67 N -2.50 3.03 0.16 3.88 0.08 -1.26 -4.91 117.98 116.47 1s1i s PHE 67 Ca 0.28 1.59 0.05 0.00 0.12 0.00 0.00 56.93 58.96 1s1i s PHE 67 Cb -0.05 -3.12 -0.05 0.00 -0.57 0.00 0.00 43.02 39.24 1s1i s PHE 67 CO 0.13 -0.88 -0.09 1.67 -0.10 0.00 0.00 175.22 175.95 1s1i s TRP 68 N -1.85 1.33 0.00 0.36 -2.14 -1.26 -4.97 118.94 110.42 1s1i s TRP 68 Ca 0.65 -0.77 0.00 0.00 2.66 0.00 0.00 56.10 58.64 1s1i s TRP 68 Cb -0.19 -0.68 0.00 0.00 -3.10 0.00 0.00 33.47 29.49 1s1i s TRP 68 CO 0.23 0.08 0.00 0.36 -2.66 0.00 0.00 176.95 174.97 1s1i n LYS 69 N -0.24 2.17 -1.83 3.25 0.00 -1.26 -4.25 118.16 116.01 1s1i n LYS 69 Ca -0.09 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.89 1s1i n LYS 69 Cb 0.61 0.00 0.04 0.00 -0.00 0.00 0.00 35.03 35.68 1s1i n LYS 69 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 1s1i s PRO 70 N 0.61 2.95 0.05 -1.58 0.02 -1.25 -4.06 135.00 131.74 1s1i s PRO 70 Ca 0.00 1.32 0.08 0.00 0.02 0.00 0.00 61.00 62.41 1s1i s PRO 70 Cb 0.00 -1.98 -0.03 0.00 0.02 0.00 0.00 34.50 32.52 1s1i s PRO 70 CO 0.00 -1.12 -0.22 0.14 -0.33 0.00 0.00 177.00 175.47 1s1i s VAL 71 N -2.41 1.78 0.05 3.83 -7.23 -1.26 -2.56 120.40 112.60 1s1i s VAL 71 Ca 0.65 -1.28 0.04 0.00 -1.81 0.00 0.00 61.98 59.58 1s1i s VAL 71 Cb -0.19 -1.55 -0.02 0.00 0.56 0.00 0.00 36.38 35.18 1s1i s VAL 71 CO 0.41 0.21 -0.12 -0.22 -0.31 0.00 0.00 175.10 175.06 1s1i s LEU 72 N -1.28 2.22 0.02 1.32 2.96 -1.18 -5.00 118.68 117.73 1s1i s LEU 72 Ca 0.08 -0.52 -0.00 0.00 -0.22 0.00 0.00 54.13 53.47 1s1i s LEU 72 Cb -0.09 -0.46 -0.04 0.00 0.50 0.00 0.00 46.19 46.10 1s1i s LEU 72 CO 0.02 -0.05 0.12 0.20 -1.32 0.00 0.00 176.35 175.31 1s1i s ASN 73 N -1.41 5.87 -1.42 3.68 0.01 -1.26 0.68 114.94 121.09 1s1i s ASN 73 Ca -0.02 0.17 -0.10 0.00 -0.71 0.00 0.00 52.86 52.19 1s1i s ASN 73 Cb -0.09 -1.72 0.06 0.00 0.41 0.00 0.00 41.25 39.92 1s1i s ASN 73 CO 0.01 0.24 2.30 -0.11 -1.51 0.00 0.00 177.10 178.03 1s1i n LEU 74 N 0.87 7.39 0.02 0.60 7.94 -0.71 -3.10 117.00 130.00 1s1i n LEU 74 Ca -0.11 -4.45 0.00 0.00 -1.11 0.00 0.00 56.01 50.34 1s1i n LEU 74 Cb 0.52 -1.54 0.00 0.00 0.53 0.00 0.00 43.42 42.93 1s1i n LEU 74 CO 0.42 1.54 0.00 0.47 -1.11 0.00 0.00 177.39 178.71 1s1i n ASP 75 N 4.25 -0.07 -0.30 1.96 8.00 -1.26 -4.20 116.55 124.94 1s1i n ASP 75 Ca 0.56 0.06 -0.06 0.00 0.71 0.00 0.00 54.79 56.06 1s1i n ASP 75 Cb 0.33 0.14 0.07 0.00 -0.02 0.00 0.00 41.12 41.63 1s1i n ASP 75 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1s1i h LYS 76 N 0.00 1.20 -0.13 -1.24 1.79 -1.92 0.51 116.57 116.77 1s1i h LYS 76 Ca 0.00 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.26 1s1i h LYS 76 Cb 0.00 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.44 1s1i h LYS 76 CO 0.00 0.95 0.05 -0.07 -1.08 0.00 0.00 179.45 179.30 1s1i h LEU 77 N 1.17 0.18 -0.82 2.94 4.07 -1.88 0.72 115.31 121.70 1s1i h LEU 77 Ca 0.27 -0.18 -0.10 0.00 0.08 0.00 0.00 57.88 57.95 1s1i h LEU 77 Cb 0.18 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 1s1i h LEU 77 CO -0.03 0.32 -0.19 4.11 -1.08 0.00 0.00 178.44 181.57 1s1i h TRP 78 N 0.04 0.76 -0.93 1.13 5.08 -1.58 0.75 115.95 121.20 1s1i h TRP 78 Ca 0.04 -0.16 -0.00 0.00 1.08 0.00 0.00 58.89 59.85 1s1i h TRP 78 Cb 0.19 -0.19 -0.05 0.00 -3.00 0.00 0.00 29.16 26.12 1s1i h TRP 78 CO -0.01 0.82 0.57 1.15 -1.28 0.00 0.00 178.44 179.69 1s1i h THR 79 N 0.60 1.25 -0.01 0.12 2.02 0.47 -2.37 112.91 115.00 1s1i h THR 79 Ca 0.09 -0.54 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 1s1i h THR 79 Cb 0.66 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1s1i h THR 79 CO 0.05 0.26 0.00 0.25 0.37 0.00 0.00 175.52 176.45 1s1i h LEU 80 N 1.28 0.01 -7.88 2.58 6.46 0.28 -3.25 115.31 114.78 1s1i h LEU 80 Ca 0.34 -0.09 -0.16 0.00 -0.12 0.00 0.00 57.88 57.84 1s1i h LEU 80 Cb -0.07 -0.00 -0.21 0.00 -0.73 0.00 0.00 40.66 39.65 1s1i h LEU 80 CO -0.06 0.10 -0.62 -0.63 -0.62 0.00 0.00 178.44 176.61 1s1i s ILE 81 N -5.82 0.10 -1.74 4.05 -1.09 0.24 -3.89 121.20 113.04 1s1i s ILE 81 Ca -0.14 -0.80 0.27 0.00 -2.23 0.00 0.00 60.65 57.75 1s1i s ILE 81 Cb 0.05 -0.32 0.33 0.00 -1.58 0.00 0.00 42.46 40.94 1s1i s ILE 81 CO 0.66 -0.44 1.65 -0.81 -1.23 0.00 0.00 174.94 174.78 1s1i n PRO 82 N 1.58 0.82 -0.03 2.79 -0.04 -1.24 -3.90 135.00 134.98 1s1i n PRO 82 Ca -0.23 -0.43 -0.09 0.00 -0.04 0.00 0.00 63.50 62.70 1s1i n PRO 82 Cb 0.55 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 1s1i n PRO 82 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1s1i h GLU 83 N 1.06 -0.02 -6.48 0.54 3.07 -1.76 -3.41 114.58 107.58 1s1i h GLU 83 Ca 0.00 0.00 -0.63 0.00 -0.50 0.00 0.00 59.36 58.23 1s1i h GLU 83 Cb 0.47 0.01 -0.16 0.00 -0.84 0.00 0.00 28.75 28.22 1s1i h GLU 83 CO 0.00 -0.02 -0.77 0.16 -1.40 0.00 0.00 179.01 176.98 1s1i s ASP 84 N -5.18 3.77 0.47 1.42 -4.77 -1.23 -5.10 116.67 106.05 1s1i s ASP 84 Ca -0.13 -0.79 -0.19 0.00 -3.30 0.00 0.00 52.55 48.13 1s1i s ASP 84 Cb 0.10 -0.44 -0.09 0.00 -1.09 0.00 0.00 42.92 41.40 1s1i s ASP 84 CO 0.68 0.10 0.98 -1.59 0.70 0.00 0.00 175.17 176.04 1s1i s LYS 85 N -2.90 4.02 0.00 2.11 0.00 -1.26 -4.27 119.74 117.44 1s1i s LYS 85 Ca 0.24 1.12 0.00 0.00 0.00 0.00 0.00 55.97 57.33 1s1i s LYS 85 Cb -0.08 -2.14 0.00 0.00 0.00 0.00 0.00 37.83 35.61 1s1i s LYS 85 CO 0.13 -0.22 0.00 2.89 0.00 0.00 0.00 175.35 178.15 1s1i n ARG 86 N -1.04 0.00 -1.51 1.78 0.00 -1.26 -5.03 116.66 109.59 1s1i n ARG 86 Ca 0.07 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.53 1s1i n ARG 86 Cb 0.54 0.00 -0.09 0.00 -0.00 0.00 0.00 32.46 32.91 1s1i n ARG 86 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1s1i n ASP 87 N 0.00 1.37 -0.24 2.89 8.00 -1.26 -4.70 116.55 122.61 1s1i n ASP 87 Ca 0.00 -0.11 -0.08 0.00 0.71 0.00 0.00 54.79 55.32 1s1i n ASP 87 Cb 0.00 -1.25 0.04 0.00 -0.02 0.00 0.00 41.12 39.89 1s1i n ASP 87 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1s1i h GLN 88 N 15.45 1.07 -7.15 -1.24 -0.00 -1.99 -3.41 115.11 117.84 1s1i h GLN 88 Ca -0.16 -0.26 -0.54 0.00 -0.00 0.00 0.00 58.65 57.69 1s1i h GLN 88 Cb 1.29 -0.14 0.16 0.00 0.00 0.00 0.00 27.48 28.79 1s1i h GLN 88 CO 1.25 0.96 0.44 1.52 0.00 0.00 0.00 178.83 183.01 1s1i s TYR 89 N -5.29 2.06 -1.13 3.99 1.13 -1.26 -2.20 117.35 114.65 1s1i s TYR 89 Ca -0.12 1.55 -0.05 0.00 -1.41 0.00 0.00 57.07 57.04 1s1i s TYR 89 Cb 0.14 -3.57 0.01 0.00 -1.10 0.00 0.00 41.96 37.44 1s1i s TYR 89 CO 0.84 -2.74 0.97 -0.11 -2.51 0.00 0.00 175.55 172.00 1s1i n LEU 90 N -2.36 -3.40 -4.00 -3.49 -0.00 -1.26 -5.00 117.00 97.49 1s1i n LEU 90 Ca 0.14 -0.49 -0.25 0.00 -0.00 0.00 0.00 56.01 55.41 1s1i n LEU 90 Cb 0.49 -2.72 -0.17 0.00 -0.00 0.00 0.00 43.42 41.03 1s1i n LEU 90 CO 0.47 0.49 -0.46 -0.75 -0.00 0.00 0.00 177.39 177.14 1s1i s LYS 91 N -5.81 1.67 -0.02 1.96 2.36 -0.94 -4.61 119.74 114.36 1s1i s LYS 91 Ca 0.33 -0.38 -0.29 0.00 -2.55 0.00 0.00 55.97 53.08 1s1i s LYS 91 Cb -0.15 -1.46 0.07 0.00 -1.05 0.00 0.00 37.83 35.24 1s1i s LYS 91 CO 0.63 -0.05 0.65 -1.54 1.55 0.00 0.00 175.35 176.59 1s1i s SER 92 N 0.93 -0.63 0.84 1.43 1.04 -1.26 -5.02 113.70 111.03 1s1i s SER 92 Ca -0.09 0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.94 1s1i s SER 92 Cb -0.15 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1s1i s SER 92 CO 0.01 -0.65 0.00 0.00 0.98 0.00 0.00 173.24 173.58 1s1i n ALA 93 N 0.76 0.00 -0.16 5.32 0.00 -1.26 -2.32 120.51 122.85 1s1i n ALA 93 Ca -0.19 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.18 1s1i n ALA 93 Cb 0.58 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.05 1s1i n ALA 93 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1s1i h SER 94 N 0.00 0.52 -5.10 0.00 4.64 -1.99 -3.46 113.55 108.16 1s1i h SER 94 Ca 0.00 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1s1i h SER 94 Cb 0.00 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 61.92 1s1i h SER 94 CO 0.00 0.37 0.14 -0.75 -0.87 0.00 0.00 176.83 175.72 1s1i s LYS 95 N -6.15 1.89 0.30 4.77 2.47 -0.98 -4.97 119.74 117.06 1s1i s LYS 95 Ca -0.13 -1.25 -0.12 0.00 -1.56 0.00 0.00 55.97 52.91 1s1i s LYS 95 Cb 0.12 0.57 0.01 0.00 -1.46 0.00 0.00 37.83 37.07 1s1i s LYS 95 CO 0.73 -0.85 0.57 -1.83 0.16 0.00 0.00 175.35 174.13 1s1i s GLU 96 N -3.37 1.78 0.26 4.03 -1.05 -1.25 -4.58 118.70 114.53 1s1i s GLU 96 Ca 0.16 -1.36 0.03 0.00 -0.15 0.00 0.00 54.97 53.65 1s1i s GLU 96 Cb -0.04 0.51 -0.05 0.00 -0.44 0.00 0.00 34.13 34.11 1s1i s GLU 96 CO 0.10 -0.77 0.05 0.95 0.95 0.00 0.00 175.26 176.53 1s1i s THR 97 N -3.49 0.90 -3.98 1.83 -4.23 -1.18 -4.81 115.64 100.69 1s1i s THR 97 Ca 0.21 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 1s1i s THR 97 Cb -0.02 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.26 1s1i s THR 97 CO 0.12 -0.13 0.00 0.00 -0.54 0.00 0.00 174.62 174.06 1s1i n ALA 98 N -0.50 0.00 -1.84 3.99 0.00 -1.26 -4.74 120.51 116.16 1s1i n ALA 98 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 1s1i n ALA 98 Cb 0.65 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.08 1s1i n ALA 98 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1s1i s PRO 99 N -1.59 3.66 -0.40 0.00 0.04 -1.26 -4.81 135.00 130.63 1s1i s PRO 99 Ca 0.00 2.01 0.09 0.00 0.04 0.00 0.00 61.00 63.14 1s1i s PRO 99 Cb 0.00 -4.18 0.28 0.00 0.04 0.00 0.00 34.50 30.64 1s1i s PRO 99 CO 0.00 -1.49 0.61 0.28 0.04 0.00 0.00 177.00 176.44 1s1i n VAL 100 N 6.65 -0.30 -4.26 -0.36 0.31 -1.26 -5.09 118.33 114.02 1s1i n VAL 100 Ca 0.23 -4.29 -0.18 0.00 -0.01 0.00 0.00 64.34 60.08 1s1i n VAL 100 Cb 0.44 -1.40 -0.13 0.00 -0.91 0.00 0.00 33.84 31.85 1s1i n VAL 100 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1s1i s ILE 101 N -1.72 0.99 0.15 2.52 1.01 -1.26 -5.03 121.20 117.86 1s1i s ILE 101 Ca 0.37 -1.04 -0.15 0.00 0.00 0.00 0.00 60.65 59.84 1s1i s ILE 101 Cb 0.23 -0.93 0.03 0.00 0.01 0.00 0.00 42.46 41.80 1s1i s ILE 101 CO -0.10 -0.09 1.73 -2.24 0.00 0.00 0.00 174.94 174.24 1s1i h ASP 102 N 4.78 0.62 -4.41 3.58 2.03 -1.98 -3.41 116.42 117.63 1s1i h ASP 102 Ca -0.38 -0.13 -0.63 0.00 -0.73 0.00 0.00 57.03 55.16 1s1i h ASP 102 Cb 1.19 -0.16 -0.28 0.00 -0.83 0.00 0.00 39.33 39.24 1s1i h ASP 102 CO 0.43 0.58 -0.86 0.42 -1.03 0.00 0.00 179.24 178.78 1s1i s THR 103 N -5.69 1.78 -0.63 1.15 -4.23 -1.26 -4.96 115.64 101.80 1s1i s THR 103 Ca -0.13 -1.07 -0.01 0.00 -1.18 0.00 0.00 61.69 59.31 1s1i s THR 103 Cb 0.11 -1.50 0.44 0.00 1.34 0.00 0.00 72.50 72.89 1s1i s THR 103 CO 0.76 0.41 1.89 0.18 -0.54 0.00 0.00 174.62 177.32 1s1i n LEU 104 N 2.27 7.23 -4.75 4.79 7.99 -1.26 -4.62 117.00 128.64 1s1i n LEU 104 Ca -0.16 -4.45 -0.41 0.00 -0.01 0.00 0.00 56.01 50.98 1s1i n LEU 104 Cb 0.52 -0.89 -0.02 0.00 -0.11 0.00 0.00 43.42 42.93 1s1i n LEU 104 CO 0.23 1.62 1.15 0.00 -1.51 0.00 0.00 177.39 178.88 1s1i s ALA 105 N -3.82 3.65 0.96 -1.18 0.00 -1.26 -4.90 121.76 115.21 1s1i s ALA 105 Ca 0.61 1.45 -0.12 0.00 0.00 0.00 0.00 51.96 53.90 1s1i s ALA 105 Cb 0.48 -3.59 0.19 0.00 0.00 0.00 0.00 23.12 20.20 1s1i s ALA 105 CO -0.06 -0.88 1.11 0.00 0.00 0.00 0.00 175.76 175.94 1s1i n ALA 106 N 1.82 -1.13 -2.12 0.00 0.00 -1.26 -3.87 120.51 113.95 1s1i n ALA 106 Ca 0.06 -1.53 0.00 0.00 0.00 0.00 0.00 53.44 51.97 1s1i n ALA 106 Cb 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1s1i n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s1i n GLY 107 N -2.40 0.63 0.00 0.00 0.00 -1.26 -4.62 105.19 97.53 1s1i n GLY 107 Ca 0.14 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1s1i n GLY 107 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1s1i n TYR 108 N -3.35 -0.42 0.00 1.61 4.11 -1.26 -4.19 117.16 113.68 1s1i n TYR 108 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1s1i n TYR 108 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.82 1s1i n TYR 108 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1s1i n GLY 109 N 0.00 1.42 3.78 -7.48 0.00 -1.06 -4.43 105.19 97.42 1s1i n GLY 109 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1s1i n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s1i s LYS 110 N -0.10 1.94 -0.08 1.61 0.00 -1.20 -1.79 119.74 120.12 1s1i s LYS 110 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 55.97 56.69 1s1i s LYS 110 Cb 0.00 -1.90 0.02 0.00 0.00 0.00 0.00 37.83 35.96 1s1i s LYS 110 CO 0.00 -1.74 -0.07 0.96 0.00 0.00 0.00 175.35 174.50 1s1i s ILE 111 N -3.09 0.83 0.55 3.79 -0.00 -1.23 -3.13 121.20 118.91 1s1i s ILE 111 Ca 0.61 -0.22 -0.05 0.00 -0.00 0.00 0.00 60.65 60.99 1s1i s ILE 111 Cb -0.15 -0.85 -0.00 0.00 -0.00 0.00 0.00 42.46 41.46 1s1i s ILE 111 CO 0.55 0.31 0.85 -0.22 -0.00 0.00 0.00 174.94 176.43 1s1i s LEU 112 N 1.35 3.36 -0.21 0.37 2.96 0.21 -3.18 118.68 123.55 1s1i s LEU 112 Ca -0.03 0.69 0.01 0.00 -0.22 0.00 0.00 54.13 54.58 1s1i s LEU 112 Cb -0.14 -3.55 0.05 0.00 0.50 0.00 0.00 46.19 43.05 1s1i s LEU 112 CO -0.03 -0.92 -0.10 -0.83 -1.32 0.00 0.00 176.35 173.14 1s1i s GLY 113 N -4.26 1.32 0.09 7.98 0.00 -0.38 -1.74 107.32 110.34 1s1i s GLY 113 Ca 0.52 -1.29 -0.10 0.00 0.00 0.00 0.00 44.72 43.84 1s1i s GLY 113 CO 0.44 0.70 0.24 -1.59 0.00 0.00 0.00 173.10 172.89 1s1i s LYS 114 N 1.36 0.88 0.54 2.90 0.00 -1.26 -4.39 119.74 119.77 1s1i s LYS 114 Ca -0.02 -0.86 0.00 0.00 0.00 0.00 0.00 55.97 55.08 1s1i s LYS 114 Cb -0.17 0.36 0.00 0.00 0.00 0.00 0.00 37.83 38.03 1s1i s LYS 114 CO -0.08 -0.29 0.00 0.41 0.00 0.00 0.00 175.35 175.39 1s1i n GLY 115 N -0.01 -2.12 3.54 0.59 0.00 -1.26 -3.98 105.19 101.94 1s1i n GLY 115 Ca -0.16 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 1s1i n GLY 115 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1s1i s ARG 116 N -0.16 3.80 0.21 1.61 1.04 -1.26 -5.03 118.95 119.17 1s1i s ARG 116 Ca 0.00 -0.42 -0.14 0.00 -1.04 0.00 0.00 55.73 54.13 1s1i s ARG 116 Cb 0.00 -3.22 0.01 0.00 -2.04 0.00 0.00 34.95 29.70 1s1i s ARG 116 CO 0.00 0.08 0.46 0.42 -0.04 0.00 0.00 175.30 176.22 1s1i s ILE 117 N 0.89 0.02 0.04 4.99 -1.09 -1.26 -4.75 121.20 120.04 1s1i s ILE 117 Ca 0.03 -1.20 -0.17 0.00 -2.23 0.00 0.00 60.65 57.08 1s1i s ILE 117 Cb -0.14 -1.93 -0.08 0.00 -1.58 0.00 0.00 42.46 38.73 1s1i s ILE 117 CO 0.02 -0.10 1.26 1.55 -1.23 0.00 0.00 174.94 176.45 1s1i h PRO 118 N 2.29 -0.49 0.00 2.79 0.13 -1.79 -3.41 132.00 131.52 1s1i h PRO 118 Ca -0.28 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1s1i h PRO 118 Cb 1.25 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1s1i h PRO 118 CO 0.38 -0.33 0.00 -1.71 -0.23 0.00 0.00 178.00 176.12 1s1i n ASN 119 N -3.78 0.00 -0.03 1.44 2.85 -1.26 -4.72 115.26 109.77 1s1i n ASN 119 Ca -0.06 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.29 1s1i n ASN 119 Cb 0.22 -0.19 -0.10 0.00 1.24 0.00 0.00 39.78 40.96 1s1i n ASN 119 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1s1i h VAL 120 N 0.00 1.33 0.00 3.44 2.07 -1.90 -3.44 116.25 117.75 1s1i h VAL 120 Ca 0.00 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 65.85 1s1i h VAL 120 Cb 0.00 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1s1i h VAL 120 CO 0.00 0.39 0.00 -0.65 0.02 0.00 0.00 177.57 177.33 1s1i h PRO 121 N -0.85 0.00 -3.94 1.57 0.11 -1.84 -3.43 132.00 123.62 1s1i h PRO 121 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1s1i h PRO 121 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1s1i h PRO 121 CO 0.01 0.00 -0.98 1.33 -0.21 0.00 0.00 178.00 178.15 1s1i n VAL 122 N -2.79 -4.45 -5.03 3.15 0.24 -1.26 -4.43 118.33 103.75 1s1i n VAL 122 Ca 0.01 2.10 -0.29 0.00 -2.04 0.00 0.00 64.34 64.12 1s1i n VAL 122 Cb 0.29 -3.08 -0.16 0.00 -1.47 0.00 0.00 33.84 29.42 1s1i n VAL 122 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1s1i s ILE 123 N -4.40 1.74 0.09 1.34 -0.00 -1.26 -0.09 121.20 118.62 1s1i s ILE 123 Ca 0.00 -0.87 0.08 0.00 -0.00 0.00 0.00 60.65 59.85 1s1i s ILE 123 Cb 0.00 -1.49 -0.03 0.00 -0.00 0.00 0.00 42.46 40.94 1s1i s ILE 123 CO 0.00 0.49 -0.20 -0.69 -0.00 0.00 0.00 174.94 174.54 1s1i s VAL 124 N 0.07 1.62 -0.04 8.37 1.01 -1.26 -3.10 120.40 127.07 1s1i s VAL 124 Ca -0.07 -1.44 0.01 0.00 0.00 0.00 0.00 61.98 60.48 1s1i s VAL 124 Cb -0.14 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.79 1s1i s VAL 124 CO 0.04 -0.03 -0.04 -1.59 0.00 0.00 0.00 175.10 173.48 1s1i s LYS 125 N -1.74 0.77 0.04 2.72 0.00 -1.26 -4.01 119.74 116.26 1s1i s LYS 125 Ca 0.06 -0.10 -0.21 0.00 0.00 0.00 0.00 55.97 55.71 1s1i s LYS 125 Cb -0.10 -0.79 0.07 0.00 0.00 0.00 0.00 37.83 37.02 1s1i s LYS 125 CO 0.04 -0.07 0.99 0.00 0.00 0.00 0.00 175.35 176.30 1s1i n ALA 126 N 3.98 -2.73 -0.93 0.59 0.00 -1.26 -4.24 120.51 115.93 1s1i n ALA 126 Ca -0.25 -0.73 -0.19 0.00 0.00 0.00 0.00 53.44 52.26 1s1i n ALA 126 Cb 0.51 0.25 0.26 0.00 0.00 0.00 0.00 19.45 20.47 1s1i n ALA 126 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1s1i n ARG 127 N -0.71 -3.45 -1.38 0.00 0.63 -0.74 -2.94 116.66 108.08 1s1i n ARG 127 Ca 0.02 -1.72 -0.44 0.00 -0.92 0.00 0.00 57.85 54.79 1s1i n ARG 127 Cb 0.48 -1.69 -0.01 0.00 0.45 0.00 0.00 32.46 31.69 1s1i n ARG 127 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1s1i n PHE 128 N -5.04 -1.10 -4.53 -0.14 3.01 -1.26 -4.28 117.46 104.12 1s1i n PHE 128 Ca 0.15 0.72 -0.30 0.00 1.01 0.00 0.00 57.45 59.03 1s1i n PHE 128 Cb 0.60 -1.90 -0.13 0.00 -0.01 0.00 0.00 39.48 38.03 1s1i n PHE 128 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1s1i s VAL 129 N -1.41 2.42 0.90 -4.37 0.11 -1.26 -3.56 120.40 113.23 1s1i s VAL 129 Ca 0.61 -1.54 -0.12 0.00 -2.93 0.00 0.00 61.98 58.00 1s1i s VAL 129 Cb -0.71 -2.04 0.13 0.00 -1.53 0.00 0.00 36.38 32.23 1s1i s VAL 129 CO 0.60 0.19 1.10 -0.55 -3.33 0.00 0.00 175.10 173.11 1s1i s SER 130 N -1.79 3.46 0.07 3.54 0.15 -1.19 -4.87 113.70 113.07 1s1i s SER 130 Ca 0.14 1.32 -0.20 0.00 0.70 0.00 0.00 55.95 57.91 1s1i s SER 130 Cb -0.10 -2.00 -0.11 0.00 -1.71 0.00 0.00 66.02 62.10 1s1i s SER 130 CO 0.06 -2.63 1.53 0.11 1.20 0.00 0.00 173.24 173.52 1s1i h LYS 131 N -1.54 0.29 -4.02 5.44 1.79 -1.98 -2.85 116.57 113.70 1s1i h LYS 131 Ca -0.50 -0.08 -0.73 0.00 -2.18 0.00 0.00 60.65 57.15 1s1i h LYS 131 Cb 1.30 -0.03 -0.11 0.00 -1.58 0.00 0.00 32.23 31.80 1s1i h LYS 131 CO 0.57 0.47 2.36 1.47 -1.08 0.00 0.00 179.45 183.23 1s1i n LEU 132 N -4.76 6.42 0.00 2.94 -0.00 -1.26 -1.41 117.00 118.93 1s1i n LEU 132 Ca -0.05 -4.39 0.00 0.00 -0.00 0.00 0.00 56.01 51.58 1s1i n LEU 132 Cb 0.19 -1.58 0.00 0.00 -0.00 0.00 0.00 43.42 42.03 1s1i n LEU 132 CO 0.36 1.11 0.00 0.00 -0.00 0.00 0.00 177.39 178.86 1s1i n ALA 133 N 5.23 0.00 -0.03 1.47 0.00 -1.18 -1.25 120.51 124.76 1s1i n ALA 133 Ca 0.45 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.75 1s1i n ALA 133 Cb 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.74 1s1i n ALA 133 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1s1i h GLU 134 N 0.00 0.10 -7.22 0.00 3.07 -0.99 -3.39 114.58 106.14 1s1i h GLU 134 Ca 0.00 -0.06 -0.49 0.00 -0.50 0.00 0.00 59.36 58.31 1s1i h GLU 134 Cb 0.00 0.01 0.06 0.00 -0.84 0.00 0.00 28.75 27.98 1s1i h GLU 134 CO 0.00 0.62 0.38 -1.21 -1.40 0.00 0.00 179.01 177.39 1s1i s GLU 135 N -4.04 3.32 -1.29 2.33 0.41 -1.13 0.83 118.70 119.13 1s1i s GLU 135 Ca -0.16 1.13 -0.08 0.00 -0.41 0.00 0.00 54.97 55.45 1s1i s GLU 135 Cb 0.02 -2.04 0.01 0.00 -1.78 0.00 0.00 34.13 30.34 1s1i s GLU 135 CO 0.70 -0.81 1.12 1.63 -0.49 0.00 0.00 175.26 177.41 1s1i n LYS 136 N -2.20 -7.52 0.00 1.61 4.01 -1.26 -4.72 118.16 108.08 1s1i n LYS 136 Ca 0.08 0.80 0.00 0.00 -0.51 0.00 0.00 58.31 58.68 1s1i n LYS 136 Cb 0.53 -5.75 0.00 0.00 -0.51 0.00 0.00 35.03 29.30 1s1i n LYS 136 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1s1i n ILE 137 N -4.80 0.00 -1.60 -0.18 2.08 -0.92 -3.28 119.36 110.67 1s1i n ILE 137 Ca -0.03 0.00 -0.44 0.00 0.56 0.00 0.00 62.75 62.84 1s1i n ILE 137 Cb 0.57 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.43 1s1i n ILE 137 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 1s1i n ARG 138 N 0.00 2.01 0.00 0.38 0.00 0.24 -3.14 116.66 116.16 1s1i n ARG 138 Ca 0.00 0.59 0.00 0.00 -0.00 0.00 0.00 57.85 58.44 1s1i n ARG 138 Cb 0.00 -3.12 0.00 0.00 -0.00 0.00 0.00 32.46 29.34 1s1i n ARG 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1s1i n ALA 139 N 10.85 0.00 -1.93 2.89 0.00 -1.26 -4.38 120.51 126.68 1s1i n ALA 139 Ca 0.29 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.31 1s1i n ALA 139 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 1s1i n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s1i s ALA 140 N -1.00 3.37 0.00 0.00 0.00 -1.19 -4.79 121.76 118.15 1s1i s ALA 140 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.77 1s1i s ALA 140 Cb 0.00 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1s1i s ALA 140 CO 0.00 -1.82 0.00 0.41 0.00 0.00 0.00 175.76 174.35 1s1i n GLY 141 N 4.62 -0.50 0.00 0.00 0.00 -1.26 -4.58 105.19 103.47 1s1i n GLY 141 Ca 0.20 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1s1i n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s1i n GLY 142 N 0.00 -1.91 0.00 -0.02 0.00 0.87 -3.01 105.19 101.13 1s1i n GLY 142 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1s1i n GLY 142 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1s1i n VAL 143 N -1.54 0.00 -1.48 1.61 3.14 -1.26 -4.40 118.33 114.40 1s1i n VAL 143 Ca 0.00 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.00 1s1i n VAL 143 Cb 0.00 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 32.83 1s1i n VAL 143 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1s1i n VAL 144 N 1.25 2.70 -3.78 1.55 0.31 -1.26 -4.25 118.33 114.86 1s1i n VAL 144 Ca 0.00 -0.48 -0.13 0.00 -0.01 0.00 0.00 64.34 63.72 1s1i n VAL 144 Cb 0.00 -0.85 -0.11 0.00 -0.91 0.00 0.00 33.84 31.97 1s1i n VAL 144 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1s1i s GLU 145 N -2.45 0.35 -1.01 5.55 1.03 -1.26 -4.34 118.70 116.56 1s1i s GLU 145 Ca 0.71 0.37 -0.17 0.00 0.03 0.00 0.00 54.97 55.91 1s1i s GLU 145 Cb -0.42 0.17 0.02 0.00 -0.80 0.00 0.00 34.13 33.11 1s1i s GLU 145 CO 0.52 -0.04 0.64 1.28 -1.33 0.00 0.00 175.26 176.32 1s1i n LEU 146 N 2.86 -0.96 0.00 1.83 4.77 -1.15 -4.45 117.00 119.90 1s1i n LEU 146 Ca -0.13 -1.14 0.05 0.00 -0.03 0.00 0.00 56.01 54.75 1s1i n LEU 146 Cb 0.58 -1.58 0.27 0.00 -2.33 0.00 0.00 43.42 40.36 1s1i n LEU 146 CO 0.17 0.62 0.49 2.30 -1.33 0.00 0.00 177.39 179.64