#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1i n ARG 2 N 0.00 0.57 -2.21 1.61 1.74 -1.26 -4.98 116.66 112.12 1s1i n ARG 2 Ca 0.00 -1.14 -0.41 0.00 -0.77 0.00 0.00 57.85 55.53 1s1i n ARG 2 Cb 0.00 1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 32.87 1s1i n ARG 2 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1s1i s VAL 3 N -2.42 2.93 -0.87 1.55 1.01 -1.26 -4.85 120.40 116.49 1s1i s VAL 3 Ca 0.10 0.94 -0.04 0.00 0.00 0.00 0.00 61.98 62.98 1s1i s VAL 3 Cb -0.02 -3.60 0.22 0.00 0.00 0.00 0.00 36.38 32.98 1s1i s VAL 3 CO 0.06 0.22 0.76 -0.63 0.00 0.00 0.00 175.10 175.51 1s1i s ILE 4 N -1.12 4.55 0.00 2.22 1.09 -1.26 -4.80 121.20 121.89 1s1i s ILE 4 Ca 0.48 -3.55 0.00 0.00 -1.10 0.00 0.00 60.65 56.47 1s1i s ILE 4 Cb -0.38 -3.83 0.00 0.00 -1.06 0.00 0.00 42.46 37.19 1s1i s ILE 4 CO 0.49 -1.06 0.00 -2.11 -0.10 0.00 0.00 174.94 172.16 1s1i n ARG 5 N 2.70 0.00 0.00 2.79 -4.01 -1.26 -3.96 116.66 112.92 1s1i n ARG 5 Ca 0.19 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.00 1s1i n ARG 5 Cb 0.38 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.80 1s1i n ARG 5 CO 0.00 0.00 0.00 0.27 -3.04 0.00 0.00 177.63 174.86 1s1i n ASN 6 N 0.00 0.00 0.10 2.89 6.94 -1.26 -4.78 115.26 119.15 1s1i n ASN 6 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 54.58 54.52 1s1i n ASN 6 Cb 0.00 0.15 0.13 0.00 -2.36 0.00 0.00 39.78 37.69 1s1i n ASN 6 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 1s1i h GLN 7 N 0.00 0.17 -0.84 -3.83 -0.00 -1.96 -2.36 115.11 106.29 1s1i h GLN 7 Ca 0.00 -0.12 0.09 0.00 -0.00 0.00 0.00 58.65 58.62 1s1i h GLN 7 Cb 0.00 0.02 -0.06 0.00 -0.00 0.00 0.00 27.48 27.44 1s1i h GLN 7 CO 0.00 0.74 0.54 -0.09 -0.00 0.00 0.00 178.83 180.02 1s1i h ARG 8 N 0.12 0.81 -6.92 0.06 1.12 -1.86 -3.41 114.38 104.30 1s1i h ARG 8 Ca -0.01 -0.05 -0.45 0.00 -1.11 0.00 0.00 59.98 58.36 1s1i h ARG 8 Cb 1.13 -0.18 0.23 0.00 -0.01 0.00 0.00 29.97 31.13 1s1i h ARG 8 CO 0.09 0.54 -0.50 0.36 -3.11 0.00 0.00 179.97 177.35 1s1i n LYS 9 N -4.51 -2.03 0.00 0.20 2.85 -0.89 -3.79 118.16 109.99 1s1i n LYS 9 Ca 0.14 -0.57 0.00 0.00 -1.05 0.00 0.00 58.31 56.83 1s1i n LYS 9 Cb 0.29 -1.95 0.00 0.00 -0.65 0.00 0.00 35.03 32.71 1s1i n LYS 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1s1i n GLY 10 N 1.47 1.18 3.72 2.58 0.00 -1.26 -4.89 105.19 107.98 1s1i n GLY 10 Ca 0.02 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 1s1i n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1i n ALA 11 N 6.31 1.95 0.00 4.61 0.00 -1.25 -4.84 120.51 127.29 1s1i n ALA 11 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1s1i n ALA 11 Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.07 1s1i n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s1i n GLY 12 N 1.90 4.33 2.84 0.00 0.00 -1.26 -4.88 105.19 108.12 1s1i n GLY 12 Ca 0.09 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 1s1i n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1s1i n SER 13 N 0.00 4.31 0.00 1.61 7.64 -1.26 -4.52 113.62 121.41 1s1i n SER 13 Ca 0.00 -3.30 0.00 0.00 1.01 0.00 0.00 58.87 56.58 1s1i n SER 13 Cb 0.00 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 1s1i n SER 13 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1s1i n ILE 14 N 1.60 0.00 -2.11 0.44 2.08 -1.26 -4.90 119.36 115.21 1s1i n ILE 14 Ca 0.25 0.00 -0.29 0.00 0.56 0.00 0.00 62.75 63.27 1s1i n ILE 14 Cb 0.37 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 39.21 1s1i n ILE 14 CO 0.00 0.00 0.00 0.72 0.56 0.00 0.00 176.55 177.83 1s1i s PHE 15 N 0.00 1.96 0.30 1.39 -0.71 -1.26 -4.68 117.98 114.97 1s1i s PHE 15 Ca 0.00 0.38 0.03 0.00 -1.04 0.00 0.00 56.93 56.29 1s1i s PHE 15 Cb 0.00 -4.08 -0.04 0.00 -1.21 0.00 0.00 43.02 37.68 1s1i s PHE 15 CO 0.00 -1.49 0.13 -0.08 -1.34 0.00 0.00 175.22 172.44 1s1i s THR 16 N 10.05 0.47 -0.27 -4.49 -1.32 -1.26 -4.71 115.64 114.11 1s1i s THR 16 Ca 0.67 -2.00 0.09 0.00 -1.21 0.00 0.00 61.69 59.24 1s1i s THR 16 Cb -0.03 -2.56 0.46 0.00 -1.51 0.00 0.00 72.50 68.86 1s1i s THR 16 CO 0.06 0.00 1.19 -1.54 -2.21 0.00 0.00 174.62 172.12 1s1i n SER 17 N -0.78 4.11 -3.88 8.08 3.41 -1.26 -2.95 113.62 120.34 1s1i n SER 17 Ca -0.00 -3.64 -0.26 0.00 -0.26 0.00 0.00 58.87 54.71 1s1i n SER 17 Cb 0.65 -0.38 -0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1s1i n SER 17 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1s1i n HIS 18 N -0.76 -1.72 -0.28 7.33 8.25 -1.26 -4.61 115.22 122.18 1s1i n HIS 18 Ca 0.37 0.72 -0.03 0.00 -0.26 0.00 0.00 57.72 58.52 1s1i n HIS 18 Cb 0.91 -3.80 0.13 0.00 1.12 0.00 0.00 29.99 28.35 1s1i n HIS 18 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s1i h THR 19 N -1.86 1.24 -0.50 1.59 1.03 -1.95 -2.18 112.91 110.28 1s1i h THR 19 Ca -0.63 -0.63 0.02 0.00 -0.01 0.00 0.00 66.41 65.16 1s1i h THR 19 Cb 1.37 0.16 -0.03 0.00 -1.07 0.00 0.00 68.15 68.58 1s1i h THR 19 CO 0.60 0.28 0.30 0.08 -0.01 0.00 0.00 175.52 176.77 1s1i h ARG 20 N 1.15 0.59 -5.71 0.00 0.11 -2.02 -3.18 114.38 105.32 1s1i h ARG 20 Ca 0.29 -0.04 -0.60 0.00 0.10 0.00 0.00 59.98 59.73 1s1i h ARG 20 Cb 0.05 -0.13 -0.13 0.00 1.11 0.00 0.00 29.97 30.87 1s1i h ARG 20 CO -0.04 0.39 0.70 -0.51 0.10 0.00 0.00 179.97 180.60 1s1i s LEU 21 N -10.20 4.03 0.37 0.08 2.01 -0.82 -4.88 118.68 109.27 1s1i s LEU 21 Ca -0.13 -0.84 -0.14 0.00 0.01 0.00 0.00 54.13 53.03 1s1i s LEU 21 Cb 0.13 -2.46 0.05 0.00 0.01 0.00 0.00 46.19 43.91 1s1i s LEU 21 CO 0.74 -1.56 0.74 0.00 1.01 0.00 0.00 176.35 177.28 1s1i s ARG 22 N 4.55 2.17 0.00 1.70 3.03 -1.20 -4.86 118.95 124.34 1s1i s ARG 22 Ca 0.26 -1.46 0.00 0.00 2.03 0.00 0.00 55.73 56.56 1s1i s ARG 22 Cb -0.14 0.60 0.00 0.00 -1.03 0.00 0.00 34.95 34.38 1s1i s ARG 22 CO 0.11 -1.00 0.00 1.04 -1.13 0.00 0.00 175.30 174.32 1s1i n GLN 23 N -0.53 2.98 -2.26 3.89 3.00 -1.26 -5.07 117.38 118.13 1s1i n GLN 23 Ca -0.07 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.57 1s1i n GLN 23 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.84 1s1i n GLN 23 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1s1i s GLY 24 N -0.55 2.59 0.19 1.08 0.00 -1.26 -4.96 107.32 104.40 1s1i s GLY 24 Ca 0.00 0.78 -0.30 0.00 0.00 0.00 0.00 44.72 45.20 1s1i s GLY 24 CO 0.00 1.13 1.23 0.00 0.00 0.00 0.00 173.10 175.46 1s1i s ALA 25 N -1.84 3.46 0.37 3.20 0.00 -1.26 -4.97 121.76 120.72 1s1i s ALA 25 Ca 0.72 0.99 -0.25 0.00 0.00 0.00 0.00 51.96 53.42 1s1i s ALA 25 Cb -0.23 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.37 1s1i s ALA 25 CO 0.27 -0.42 1.02 0.00 0.00 0.00 0.00 175.76 176.64 1s1i s ALA 26 N 0.00 3.15 0.02 0.00 0.00 -1.26 -4.96 121.76 118.71 1s1i s ALA 26 Ca 0.54 0.66 -0.28 0.00 0.00 0.00 0.00 51.96 52.88 1s1i s ALA 26 Cb -0.34 -3.25 0.07 0.00 0.00 0.00 0.00 23.12 19.61 1s1i s ALA 26 CO 0.37 -0.09 0.64 0.21 0.00 0.00 0.00 175.76 176.89 1s1i s LYS 27 N -2.31 1.13 0.40 0.00 2.47 -1.26 -4.90 119.74 115.27 1s1i s LYS 27 Ca 0.55 -0.01 -0.24 0.00 -1.56 0.00 0.00 55.97 54.71 1s1i s LYS 27 Cb -0.21 0.53 -0.09 0.00 -1.46 0.00 0.00 37.83 36.59 1s1i s LYS 27 CO 0.27 -0.41 1.06 -1.17 0.16 0.00 0.00 175.35 175.26 1s1i s LEU 28 N -1.74 4.14 0.12 5.43 2.96 -1.26 -4.92 118.68 123.40 1s1i s LEU 28 Ca -0.07 2.06 -0.30 0.00 -0.22 0.00 0.00 54.13 55.60 1s1i s LEU 28 Cb -0.00 -4.17 -0.07 0.00 0.50 0.00 0.00 46.19 42.45 1s1i s LEU 28 CO 0.02 -0.51 1.15 0.00 -1.32 0.00 0.00 176.35 175.69 1s1i s ARG 29 N -2.48 4.50 0.18 1.98 3.03 -1.26 -4.88 118.95 120.02 1s1i s ARG 29 Ca 0.58 1.75 -0.31 0.00 2.03 0.00 0.00 55.73 59.77 1s1i s ARG 29 Cb -0.23 -3.31 -0.10 0.00 -1.03 0.00 0.00 34.95 30.28 1s1i s ARG 29 CO 0.28 -0.10 1.59 -0.08 -1.13 0.00 0.00 175.30 175.86 1s1i s THR 30 N 0.44 2.51 0.33 4.99 -1.32 -1.26 -4.77 115.64 116.56 1s1i s THR 30 Ca 0.54 0.37 0.02 0.00 -1.21 0.00 0.00 61.69 61.41 1s1i s THR 30 Cb -0.29 -3.24 0.21 0.00 -1.51 0.00 0.00 72.50 67.67 1s1i s THR 30 CO 0.32 0.03 1.93 -0.07 -2.21 0.00 0.00 174.62 174.63 1s1i h LEU 31 N 6.64 0.67 0.00 9.08 4.07 -1.95 -3.48 115.31 130.34 1s1i h LEU 31 Ca -0.43 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.46 1s1i h LEU 31 Cb 1.20 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.77 1s1i h LEU 31 CO 0.91 0.59 0.00 0.47 -1.08 0.00 0.00 178.44 179.33 1s1i n ASP 32 N -4.36 0.00 -0.94 -0.43 8.00 -1.26 -4.71 116.55 112.84 1s1i n ASP 32 Ca 0.04 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.66 1s1i n ASP 32 Cb 0.14 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.50 1s1i n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s1i n TYR 33 N 1.69 0.36 -1.88 1.24 4.19 -1.26 -4.82 117.16 116.68 1s1i n TYR 33 Ca 0.00 -0.18 -0.29 0.00 3.31 0.00 0.00 57.90 60.74 1s1i n TYR 33 Cb 0.00 0.00 0.12 0.00 0.49 0.00 0.00 39.34 39.95 1s1i n TYR 33 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1s1i s ALA 34 N -1.64 2.45 0.41 2.98 0.00 -1.26 -4.97 121.76 119.72 1s1i s ALA 34 Ca 0.36 -0.82 -0.24 0.00 0.00 0.00 0.00 51.96 51.26 1s1i s ALA 34 Cb 0.21 -2.91 -0.08 0.00 0.00 0.00 0.00 23.12 20.34 1s1i s ALA 34 CO 0.30 -1.97 1.10 -1.83 0.00 0.00 0.00 175.76 173.36 1s1i s GLU 35 N -5.66 4.06 -0.62 0.00 -1.05 -1.26 -4.92 118.70 109.25 1s1i s GLU 35 Ca 0.66 1.64 -0.19 0.00 -0.15 0.00 0.00 54.97 56.93 1s1i s GLU 35 Cb -0.09 -2.55 0.11 0.00 -0.44 0.00 0.00 34.13 31.15 1s1i s GLU 35 CO 0.51 -0.26 0.74 1.03 0.95 0.00 0.00 175.26 178.23 1s1i s ARG 36 N -2.47 3.09 0.37 -4.83 3.00 -1.26 -4.72 118.95 112.12 1s1i s ARG 36 Ca 0.59 -1.35 0.12 0.00 0.00 0.00 0.00 55.73 55.09 1s1i s ARG 36 Cb -0.25 -4.30 0.70 0.00 0.00 0.00 0.00 34.95 31.10 1s1i s ARG 36 CO 0.32 -1.57 1.82 0.45 0.00 0.00 0.00 175.30 176.32 1s1i h HIS 37 N 9.15 0.01 0.00 -0.53 3.86 -1.95 -3.39 115.15 122.31 1s1i h HIS 37 Ca -0.26 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.95 1s1i h HIS 37 Cb 1.08 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.55 1s1i h HIS 37 CO 0.87 0.39 0.00 0.41 0.86 0.00 0.00 177.93 180.45 1s1i n GLY 38 N -0.45 0.72 3.17 2.45 0.00 -1.26 -3.42 105.19 106.40 1s1i n GLY 38 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 1s1i n GLY 38 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s1i n TYR 39 N -2.01 3.88 -4.44 1.61 4.01 -1.26 -4.32 117.16 114.63 1s1i n TYR 39 Ca 0.00 -3.15 -0.25 0.00 -0.16 0.00 0.00 57.90 54.34 1s1i n TYR 39 Cb 0.00 -1.81 -0.17 0.00 -0.31 0.00 0.00 39.34 37.06 1s1i n TYR 39 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1s1i s ILE 40 N -0.39 1.10 0.41 -0.72 1.09 -1.22 -5.06 121.20 116.42 1s1i s ILE 40 Ca 0.37 -0.44 0.04 0.00 -1.10 0.00 0.00 60.65 59.52 1s1i s ILE 40 Cb 0.01 -1.03 -0.02 0.00 -1.06 0.00 0.00 42.46 40.36 1s1i s ILE 40 CO 0.01 0.35 0.15 -2.11 -0.10 0.00 0.00 174.94 173.25 1s1i n ARG 41 N 4.04 0.57 -3.63 2.79 0.00 -1.26 -2.30 116.66 116.87 1s1i n ARG 41 Ca -0.21 -3.50 -0.01 0.00 -0.00 0.00 0.00 57.85 54.13 1s1i n ARG 41 Cb 0.51 1.94 -0.02 0.00 -0.00 0.00 0.00 32.46 34.90 1s1i n ARG 41 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1s1i s GLY 42 N -3.54 -0.27 0.19 2.89 0.00 -0.97 -3.32 107.32 102.32 1s1i s GLY 42 Ca 0.22 1.71 0.11 0.00 0.00 0.00 0.00 44.72 46.76 1s1i s GLY 42 CO 0.15 0.54 -0.22 -0.26 0.00 0.00 0.00 173.10 173.31 1s1i s ILE 43 N -2.02 2.45 -0.73 0.90 -5.25 -1.26 -1.72 121.20 113.56 1s1i s ILE 43 Ca 0.13 -2.00 -0.13 0.00 -0.99 0.00 0.00 60.65 57.65 1s1i s ILE 43 Cb 0.01 -2.18 0.19 0.00 2.95 0.00 0.00 42.46 43.43 1s1i s ILE 43 CO -0.03 -0.12 0.66 -0.69 -1.79 0.00 0.00 174.94 172.97 1s1i s VAL 44 N -1.70 5.29 -0.34 8.37 1.01 -1.21 0.86 120.40 132.67 1s1i s VAL 44 Ca 0.21 -2.29 -0.27 0.00 0.00 0.00 0.00 61.98 59.64 1s1i s VAL 44 Cb -0.08 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 32.00 1s1i s VAL 44 CO 0.11 -0.97 0.96 -0.75 0.00 0.00 0.00 175.10 174.44 1s1i s LYS 45 N 0.49 3.95 0.53 2.72 2.20 -0.96 -3.86 119.74 124.81 1s1i s LYS 45 Ca 0.14 0.76 0.00 0.00 -0.36 0.00 0.00 55.97 56.51 1s1i s LYS 45 Cb -0.16 -3.77 0.00 0.00 -1.51 0.00 0.00 37.83 32.40 1s1i s LYS 45 CO -0.06 -0.89 0.00 0.00 -0.36 0.00 0.00 175.35 174.05 1s1i n GLN 46 N 6.72 -2.90 -4.52 4.03 10.64 -1.26 -3.62 117.38 126.47 1s1i n GLN 46 Ca 0.08 2.37 -0.21 0.00 -1.83 0.00 0.00 57.00 57.41 1s1i n GLN 46 Cb 0.48 -3.42 -0.15 0.00 -0.86 0.00 0.00 30.24 26.29 1s1i n GLN 46 CO 0.00 0.00 0.00 0.96 -1.83 0.00 0.00 177.06 176.19 1s1i s ILE 47 N -4.55 0.99 0.08 -0.39 -0.00 -1.26 0.35 121.20 116.43 1s1i s ILE 47 Ca 0.00 -0.60 -0.02 0.00 -0.00 0.00 0.00 60.65 60.03 1s1i s ILE 47 Cb 0.00 -0.84 -0.04 0.00 -0.00 0.00 0.00 42.46 41.58 1s1i s ILE 47 CO 0.00 0.23 0.02 0.68 -0.00 0.00 0.00 174.94 175.87 1s1i s VAL 48 N -0.38 0.17 0.87 8.37 -7.23 0.24 -4.89 120.40 117.55 1s1i s VAL 48 Ca 0.04 -1.79 -0.14 0.00 -1.81 0.00 0.00 61.98 58.28 1s1i s VAL 48 Cb -0.05 -1.68 0.01 0.00 0.56 0.00 0.00 36.38 35.21 1s1i s VAL 48 CO -0.00 -0.79 0.45 1.57 -0.31 0.00 0.00 175.10 176.02 1s1i n HIS 49 N 0.03 -1.22 -0.11 2.82 -0.00 -1.26 0.98 115.22 116.45 1s1i n HIS 49 Ca -0.11 0.27 0.00 0.00 0.46 0.00 0.00 57.72 58.34 1s1i n HIS 49 Cb 0.62 -1.83 0.00 0.00 -0.12 0.00 0.00 29.99 28.66 1s1i n HIS 49 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1s1i n ASP 50 N -0.93 0.76 -3.89 0.26 8.00 -1.26 -4.54 116.55 114.95 1s1i n ASP 50 Ca 0.08 -0.93 -0.37 0.00 0.71 0.00 0.00 54.79 54.28 1s1i n ASP 50 Cb 0.52 0.11 0.02 0.00 -0.02 0.00 0.00 41.12 41.75 1s1i n ASP 50 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1s1i n SER 51 N -0.11 -4.71 0.00 -2.24 7.64 -1.26 -4.35 113.62 108.59 1s1i n SER 51 Ca 0.00 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.76 1s1i n SER 51 Cb 0.03 -2.14 0.00 0.00 -1.01 0.00 0.00 64.21 61.08 1s1i n SER 51 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s1i n GLY 52 N -1.89 -2.16 0.00 0.23 0.00 -1.26 -4.52 105.19 95.59 1s1i n GLY 52 Ca -0.16 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1s1i n GLY 52 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1s1i n ARG 53 N 0.00 3.49 -0.06 1.61 -4.01 -1.26 -4.91 116.66 111.52 1s1i n ARG 53 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 1s1i n ARG 53 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 1s1i n ARG 53 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1s1i n GLY 54 N 3.30 -0.67 3.03 2.89 0.00 -1.26 -4.95 105.19 107.53 1s1i n GLY 54 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1s1i n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1i s ALA 55 N 0.00 0.75 0.75 4.61 0.00 -1.26 -4.90 121.76 121.70 1s1i s ALA 55 Ca 0.00 -0.44 -0.14 0.00 0.00 0.00 0.00 51.96 51.38 1s1i s ALA 55 Cb 0.00 -0.17 0.05 0.00 0.00 0.00 0.00 23.12 23.00 1s1i s ALA 55 CO 0.00 0.17 1.15 -2.14 0.00 0.00 0.00 175.76 174.94 1s1i s PRO 56 N -0.39 2.15 0.05 0.00 0.02 -1.26 -4.32 135.00 131.25 1s1i s PRO 56 Ca 0.02 1.54 0.08 0.00 0.02 0.00 0.00 61.00 62.67 1s1i s PRO 56 Cb -0.04 -1.86 -0.03 0.00 0.02 0.00 0.00 34.50 32.59 1s1i s PRO 56 CO -0.00 -1.78 -0.24 -0.51 -0.33 0.00 0.00 177.00 174.14 1s1i s LEU 57 N -5.42 2.17 0.42 -5.54 1.43 0.27 -4.36 118.68 107.65 1s1i s LEU 57 Ca 0.69 -0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 53.08 1s1i s LEU 57 Cb -0.24 -1.12 -0.08 0.00 0.03 0.00 0.00 46.19 44.78 1s1i s LEU 57 CO 0.48 0.20 0.84 0.00 0.23 0.00 0.00 176.35 178.10 1s1i s ALA 58 N -0.82 3.23 0.22 4.21 0.00 -1.09 0.80 121.76 128.31 1s1i s ALA 58 Ca 0.10 0.03 -0.05 0.00 0.00 0.00 0.00 51.96 52.04 1s1i s ALA 58 Cb -0.09 -2.88 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 1s1i s ALA 58 CO 0.02 0.04 0.47 0.15 0.00 0.00 0.00 175.76 176.43 1s1i s LYS 59 N -3.61 3.63 0.33 0.00 3.01 0.16 -0.85 119.74 122.41 1s1i s LYS 59 Ca 0.55 -0.06 0.00 0.00 -1.01 0.00 0.00 55.97 55.45 1s1i s LYS 59 Cb -0.10 -2.75 -0.00 0.00 -1.01 0.00 0.00 37.83 33.97 1s1i s LYS 59 CO 0.26 0.34 0.01 0.28 0.51 0.00 0.00 175.35 176.75 1s1i n VAL 60 N -0.47 0.00 0.00 3.17 0.31 -0.23 -2.26 118.33 118.84 1s1i n VAL 60 Ca -0.02 -1.60 0.00 0.00 -0.01 0.00 0.00 64.34 62.71 1s1i n VAL 60 Cb 0.53 0.34 0.00 0.00 -0.91 0.00 0.00 33.84 33.80 1s1i n VAL 60 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1s1i n VAL 61 N -0.83 0.00 -3.56 2.52 3.14 0.25 -4.42 118.33 115.43 1s1i n VAL 61 Ca -0.13 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 1s1i n VAL 61 Cb 0.43 -0.29 0.00 0.00 -1.06 0.00 0.00 33.84 32.91 1s1i n VAL 61 CO 0.00 0.00 0.00 2.22 -6.46 0.00 0.00 176.83 172.59 1s1i n PHE 62 N -0.64 0.00 0.00 1.45 -1.74 -1.25 -2.84 117.46 112.44 1s1i n PHE 62 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1s1i n PHE 62 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1s1i n PHE 62 CO 0.00 0.00 0.00 -2.13 -0.56 0.00 0.00 176.76 174.07 1s1i n ARG 63 N 0.00 0.00 -1.82 3.97 0.63 -1.21 -2.28 116.66 115.95 1s1i n ARG 63 Ca 0.00 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.67 1s1i n ARG 63 Cb 0.00 0.00 0.18 0.00 0.45 0.00 0.00 32.46 33.09 1s1i n ARG 63 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1s1i n ASP 64 N -1.97 0.23 -4.77 6.15 8.00 -1.26 -4.95 116.55 117.98 1s1i n ASP 64 Ca 0.00 -1.51 -0.41 0.00 0.71 0.00 0.00 54.79 53.58 1s1i n ASP 64 Cb 0.00 -0.89 -0.02 0.00 -0.02 0.00 0.00 41.12 40.19 1s1i n ASP 64 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1s1i s PRO 65 N -5.58 4.34 0.00 -0.24 0.02 -1.26 -4.94 135.00 127.34 1s1i s PRO 65 Ca 0.68 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.94 1s1i s PRO 65 Cb -0.02 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.43 1s1i s PRO 65 CO 0.48 -0.23 0.00 0.66 -0.33 0.00 0.00 177.00 177.58 1s1i n TYR 66 N 0.98 0.00 -1.91 6.54 4.02 -1.26 -5.04 117.16 120.50 1s1i n TYR 66 Ca 0.01 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.54 1s1i n TYR 66 Cb 0.42 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.78 1s1i n TYR 66 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1s1i s LYS 67 N 4.98 2.82 0.00 -0.72 -0.14 -1.13 -4.97 119.74 120.58 1s1i s LYS 67 Ca 0.00 1.83 0.00 0.00 -1.36 0.00 0.00 55.97 56.44 1s1i s LYS 67 Cb 0.00 -1.91 0.00 0.00 -1.68 0.00 0.00 37.83 34.24 1s1i s LYS 67 CO 0.00 -1.32 0.00 0.66 -0.76 0.00 0.00 175.35 173.93 1s1i n TYR 68 N -1.79 0.00 -0.09 3.18 4.01 -1.26 -4.67 117.16 116.54 1s1i n TYR 68 Ca 0.14 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.82 1s1i n TYR 68 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 1s1i n TYR 68 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1s1i h ARG 69 N 0.00 0.03 -6.28 -0.72 2.43 -1.99 -2.83 114.38 105.01 1s1i h ARG 69 Ca 0.00 -0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.62 1s1i h ARG 69 Cb 0.00 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1s1i h ARG 69 CO 0.00 0.02 0.86 -1.17 -1.51 0.00 0.00 179.97 178.17 1s1i s LEU 70 N -10.50 4.27 -0.31 3.80 2.96 -1.26 -4.92 118.68 112.72 1s1i s LEU 70 Ca -0.14 1.95 -0.05 0.00 -0.22 0.00 0.00 54.13 55.67 1s1i s LEU 70 Cb 0.13 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 43.30 1s1i s LEU 70 CO 0.70 -0.73 0.06 -0.13 -1.32 0.00 0.00 176.35 174.93 1s1i s ARG 71 N 2.89 2.76 -0.31 1.98 0.52 -1.07 -4.88 118.95 120.85 1s1i s ARG 71 Ca 0.61 -1.07 0.18 0.00 -0.52 0.00 0.00 55.73 54.93 1s1i s ARG 71 Cb -0.27 -3.32 0.48 0.00 0.52 0.00 0.00 34.95 32.35 1s1i s ARG 71 CO 0.23 -0.55 1.04 -0.85 0.02 0.00 0.00 175.30 175.18 1s1i n GLU 72 N 4.78 1.75 -3.15 3.54 0.28 -1.26 -4.89 120.64 121.69 1s1i n GLU 72 Ca -0.14 -3.53 -0.45 0.00 -0.16 0.00 0.00 57.16 52.89 1s1i n GLU 72 Cb 0.46 -1.55 -0.00 0.00 1.43 0.00 0.00 31.44 31.78 1s1i n GLU 72 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1s1i s GLU 73 N -3.45 4.14 0.18 3.44 2.56 -1.26 -4.91 118.70 119.40 1s1i s GLU 73 Ca 0.31 -2.90 -0.30 0.00 0.00 0.00 0.00 54.97 52.07 1s1i s GLU 73 Cb 0.40 -4.80 -0.08 0.00 2.00 0.00 0.00 34.13 31.66 1s1i s GLU 73 CO -0.01 -1.49 0.98 0.42 -0.56 0.00 0.00 175.26 174.60 1s1i s ILE 74 N 0.11 4.17 0.09 -3.70 1.09 -1.26 -1.07 121.20 120.63 1s1i s ILE 74 Ca 0.36 1.98 0.03 0.00 -1.10 0.00 0.00 60.65 61.93 1s1i s ILE 74 Cb -0.07 -4.26 -0.04 0.00 -1.06 0.00 0.00 42.46 37.03 1s1i s ILE 74 CO -0.04 0.39 -0.09 0.12 -0.10 0.00 0.00 174.94 175.22 1s1i s PHE 75 N -0.60 0.97 -0.30 3.97 5.36 -0.03 -4.65 117.98 122.70 1s1i s PHE 75 Ca 0.45 -0.72 -0.29 0.00 -0.96 0.00 0.00 56.93 55.41 1s1i s PHE 75 Cb -0.26 -0.54 0.00 0.00 -0.34 0.00 0.00 43.02 41.88 1s1i s PHE 75 CO 0.32 -0.05 1.29 -1.50 -1.46 0.00 0.00 175.22 173.82 1s1i s ILE 76 N -2.70 4.15 -0.12 3.12 2.07 -1.26 -2.68 121.20 123.78 1s1i s ILE 76 Ca 0.06 1.30 -0.20 0.00 -1.41 0.00 0.00 60.65 60.40 1s1i s ILE 76 Cb -0.01 -4.17 -0.04 0.00 0.13 0.00 0.00 42.46 38.38 1s1i s ILE 76 CO -0.01 -0.48 0.58 0.00 -1.91 0.00 0.00 174.94 173.12 1s1i s ALA 77 N 4.35 3.44 0.04 1.50 0.00 -1.26 -4.92 121.76 124.91 1s1i s ALA 77 Ca 0.56 -0.11 -0.20 0.00 0.00 0.00 0.00 51.96 52.21 1s1i s ALA 77 Cb -0.16 -2.81 -0.15 0.00 0.00 0.00 0.00 23.12 19.99 1s1i s ALA 77 CO 0.23 -0.15 1.30 -0.91 0.00 0.00 0.00 175.76 176.23 1s1i h ASN 78 N 6.89 0.43 0.00 0.00 -0.26 -1.88 -2.61 115.58 118.15 1s1i h ASN 78 Ca -0.39 -0.53 0.00 0.00 -0.56 0.00 0.00 56.30 54.82 1s1i h ASN 78 Cb 1.18 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 38.32 1s1i h ASN 78 CO 0.76 0.88 0.00 -1.84 -1.06 0.00 0.00 177.43 176.16 1s1i n GLU 79 N -4.48 0.00 -3.93 0.81 0.28 -1.26 -0.41 120.64 111.65 1s1i n GLU 79 Ca -0.07 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.63 1s1i n GLU 79 Cb 0.42 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 33.14 1s1i n GLU 79 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1s1i s GLY 80 N -0.41 1.64 0.04 -1.84 0.00 -1.26 -4.82 107.32 100.67 1s1i s GLY 80 Ca 0.00 -2.21 0.05 0.00 0.00 0.00 0.00 44.72 42.56 1s1i s GLY 80 CO 0.00 1.14 -0.14 -1.34 0.00 0.00 0.00 173.10 172.76 1s1i s VAL 81 N 1.14 1.07 0.00 1.40 -7.23 -1.26 -4.84 120.40 110.69 1s1i s VAL 81 Ca 0.09 -1.04 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 1s1i s VAL 81 Cb -0.18 -0.99 0.00 0.00 0.56 0.00 0.00 36.38 35.77 1s1i s VAL 81 CO -0.13 -0.05 0.00 1.41 -0.31 0.00 0.00 175.10 176.02 1s1i n HIS 82 N 1.79 0.00 -0.22 2.82 8.25 -1.26 -5.03 115.22 121.57 1s1i n HIS 82 Ca -0.19 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.20 1s1i n HIS 82 Cb 0.55 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.71 1s1i n HIS 82 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1s1i h THR 83 N 0.91 1.26 -2.14 1.59 2.02 -1.94 -3.30 112.91 111.32 1s1i h THR 83 Ca 0.00 -1.04 -0.55 0.00 0.77 0.00 0.00 66.41 65.59 1s1i h THR 83 Cb 0.00 0.66 -0.41 0.00 -1.74 0.00 0.00 68.15 66.66 1s1i h THR 83 CO 0.00 0.39 -0.89 0.61 0.37 0.00 0.00 175.52 176.00 1s1i n GLY 84 N -0.58 4.52 3.34 2.16 0.00 -1.26 -3.89 105.19 109.48 1s1i n GLY 84 Ca 0.04 -2.26 -0.25 0.00 0.00 0.00 0.00 46.02 43.55 1s1i n GLY 84 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1s1i s GLN 85 N -2.76 1.28 0.51 1.61 -2.07 -1.24 -4.95 119.66 112.04 1s1i s GLN 85 Ca 0.43 -1.32 -0.21 0.00 -1.82 0.00 0.00 55.36 52.45 1s1i s GLN 85 Cb 0.28 -1.56 -0.06 0.00 -1.09 0.00 0.00 33.01 30.57 1s1i s GLN 85 CO -0.10 0.35 1.14 -0.06 -1.32 0.00 0.00 175.29 175.30 1s1i s PHE 86 N -1.42 2.75 -0.03 9.60 0.08 -1.26 -3.36 117.98 124.34 1s1i s PHE 86 Ca 0.12 1.54 0.01 0.00 0.12 0.00 0.00 56.93 58.72 1s1i s PHE 86 Cb -0.09 -3.32 0.02 0.00 -0.57 0.00 0.00 43.02 39.07 1s1i s PHE 86 CO 0.06 -1.55 -0.01 -1.50 -0.10 0.00 0.00 175.22 172.12 1s1i s ILE 87 N -1.69 0.29 0.02 0.64 2.07 -0.70 -4.98 121.20 116.85 1s1i s ILE 87 Ca 0.69 0.01 0.03 0.00 -1.41 0.00 0.00 60.65 59.98 1s1i s ILE 87 Cb -0.26 -0.35 -0.01 0.00 0.13 0.00 0.00 42.46 41.97 1s1i s ILE 87 CO 0.30 0.16 -0.11 -0.72 -1.91 0.00 0.00 174.94 172.66 1s1i s TYR 88 N 0.93 0.95 -0.07 3.50 1.13 -1.26 -2.30 117.35 120.22 1s1i s TYR 88 Ca -0.10 -0.28 0.02 0.00 -1.41 0.00 0.00 57.07 55.30 1s1i s TYR 88 Cb -0.13 -0.58 -0.02 0.00 -1.10 0.00 0.00 41.96 40.12 1s1i s TYR 88 CO -0.01 -0.00 -0.13 0.00 -2.51 0.00 0.00 175.55 172.89 1s1i s ALA 89 N -0.62 2.69 0.00 9.51 0.00 -0.97 -2.85 121.76 129.51 1s1i s ALA 89 Ca 0.01 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1s1i s ALA 89 Cb -0.06 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 22.00 1s1i s ALA 89 CO 0.00 0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.66 1s1i n GLY 90 N 2.59 2.75 0.09 0.00 0.00 -1.15 -3.42 105.19 106.06 1s1i n GLY 90 Ca -0.17 -1.55 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 1s1i n GLY 90 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1s1i h LYS 91 N 0.00 0.21 -4.82 1.61 1.63 -1.76 -3.10 116.57 110.34 1s1i h LYS 91 Ca 0.00 -0.03 -0.73 0.00 -0.85 0.00 0.00 60.65 59.04 1s1i h LYS 91 Cb 0.00 -0.04 -0.17 0.00 -0.60 0.00 0.00 32.23 31.42 1s1i h LYS 91 CO 0.00 0.25 1.37 0.15 -3.45 0.00 0.00 179.45 177.77 1s1i s LYS 92 N -5.75 4.06 -0.02 1.90 -0.14 -1.22 -4.92 119.74 113.65 1s1i s LYS 92 Ca -0.13 -2.52 0.06 0.00 -1.36 0.00 0.00 55.97 52.01 1s1i s LYS 92 Cb 0.07 -5.08 -0.01 0.00 -1.68 0.00 0.00 37.83 31.13 1s1i s LYS 92 CO 0.69 -1.79 -0.20 0.00 -0.76 0.00 0.00 175.35 173.30 1s1i s ALA 93 N 1.75 1.65 0.58 5.17 0.00 -1.17 -4.65 121.76 125.09 1s1i s ALA 93 Ca 0.43 -0.83 -0.19 0.00 0.00 0.00 0.00 51.96 51.36 1s1i s ALA 93 Cb -0.03 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1s1i s ALA 93 CO -0.00 0.38 1.25 -1.12 0.00 0.00 0.00 175.76 176.26 1s1i s SER 94 N -0.34 5.18 -0.72 0.00 0.01 -1.26 -4.87 113.70 111.70 1s1i s SER 94 Ca 0.04 2.49 -0.23 0.00 1.31 0.00 0.00 55.95 59.56 1s1i s SER 94 Cb -0.09 -2.61 0.07 0.00 0.21 0.00 0.00 66.02 63.60 1s1i s SER 94 CO 0.00 -1.61 1.06 -0.76 0.41 0.00 0.00 173.24 172.35 1s1i s LEU 95 N -3.94 4.18 0.07 2.44 2.01 -1.26 -4.81 118.68 117.38 1s1i s LEU 95 Ca 0.76 -1.01 -0.16 0.00 0.01 0.00 0.00 54.13 53.73 1s1i s LEU 95 Cb -0.33 -2.45 0.03 0.00 0.01 0.00 0.00 46.19 43.45 1s1i s LEU 95 CO 0.37 -1.48 0.37 0.54 1.01 0.00 0.00 176.35 177.16 1s1i s ASN 96 N 3.75 -0.21 0.39 2.29 4.22 -1.26 -5.10 114.94 119.02 1s1i s ASN 96 Ca 0.27 -0.19 -0.27 0.00 -2.14 0.00 0.00 52.86 50.53 1s1i s ASN 96 Cb -0.13 0.42 -0.11 0.00 1.28 0.00 0.00 41.25 42.71 1s1i s ASN 96 CO 0.08 -0.72 1.42 0.55 -2.04 0.00 0.00 177.10 176.39 1s1i n VAL 97 N 0.23 2.22 -1.43 3.54 3.14 -1.26 -1.89 118.33 122.89 1s1i n VAL 97 Ca -0.17 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.71 1s1i n VAL 97 Cb 0.61 -1.84 0.00 0.00 -1.06 0.00 0.00 33.84 31.55 1s1i n VAL 97 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1s1i n GLY 98 N 0.56 0.66 0.00 7.55 0.00 -1.26 -4.95 105.19 107.74 1s1i n GLY 98 Ca 0.03 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1s1i n GLY 98 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1s1i n ASN 99 N 1.60 0.56 -3.60 1.61 0.23 -0.79 -4.18 115.26 110.67 1s1i n ASN 99 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.94 1s1i n ASN 99 Cb 0.31 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.95 1s1i n ASN 99 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1s1i s VAL 100 N 1.83 0.00 0.00 3.53 -7.23 -1.13 -4.12 120.40 113.28 1s1i s VAL 100 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 1s1i s VAL 100 Cb 0.00 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.94 1s1i s VAL 100 CO 0.00 0.00 0.00 -0.11 -0.31 0.00 0.00 175.10 174.68 1s1i n LEU 101 N 1.58 0.00 -4.36 1.32 -0.00 -1.18 -2.96 117.00 111.40 1s1i n LEU 101 Ca -0.12 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.56 1s1i n LEU 101 Cb 0.57 0.00 0.13 0.00 -0.00 0.00 0.00 43.42 44.11 1s1i n LEU 101 CO 0.09 0.00 -0.26 -2.65 -0.00 0.00 0.00 177.39 174.57 1s1i n PRO 102 N -0.14 -0.58 0.30 1.96 -0.02 -1.23 -3.68 135.00 131.61 1s1i n PRO 102 Ca 0.00 -0.14 -0.17 0.00 -2.02 0.00 0.00 63.50 61.18 1s1i n PRO 102 Cb 0.00 -1.78 -0.08 0.00 -0.02 0.00 0.00 33.50 31.62 1s1i n PRO 102 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1s1i h LEU 103 N -1.65 -0.85 -8.71 2.45 7.12 0.12 -3.33 115.31 110.47 1s1i h LEU 103 Ca -0.46 0.05 -0.54 0.00 0.13 0.00 0.00 57.88 57.07 1s1i h LEU 103 Cb 1.30 0.26 -0.00 0.00 -0.53 0.00 0.00 40.66 41.69 1s1i h LEU 103 CO 0.35 -0.52 1.57 0.61 -0.13 0.00 0.00 178.44 180.31 1s1i n GLY 104 N -1.47 0.49 0.00 3.75 0.00 -0.99 -0.02 105.19 106.96 1s1i n GLY 104 Ca -0.12 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.67 1s1i n GLY 104 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1s1i n SER 105 N 13.37 0.00 -4.62 1.61 7.64 -1.25 -4.95 113.62 125.43 1s1i n SER 105 Ca 0.37 0.00 -0.47 0.00 1.01 0.00 0.00 58.87 59.77 1s1i n SER 105 Cb 0.44 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.61 1s1i n SER 105 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1s1i n VAL 106 N 0.00 0.92 0.00 0.44 3.14 0.98 -4.89 118.33 118.92 1s1i n VAL 106 Ca 0.00 -0.23 0.00 0.00 -2.96 0.00 0.00 64.34 61.15 1s1i n VAL 106 Cb 0.00 -1.10 0.00 0.00 -1.06 0.00 0.00 33.84 31.68 1s1i n VAL 106 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1s1i n PRO 107 N 1.86 0.00 0.00 1.45 -0.04 -1.26 -4.99 135.00 132.02 1s1i n PRO 107 Ca 0.14 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 1s1i n PRO 107 Cb 0.27 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1s1i n PRO 107 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1s1i n GLU 108 N -1.34 0.00 -1.55 0.54 4.07 -1.26 -4.78 120.64 116.31 1s1i n GLU 108 Ca 0.00 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.69 1s1i n GLU 108 Cb 0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.34 1s1i n GLU 108 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1s1i n GLY 109 N 0.00 0.51 3.18 8.31 0.00 -0.97 -4.34 105.19 111.87 1s1i n GLY 109 Ca 0.00 0.76 -0.12 0.00 0.00 0.00 0.00 46.02 46.66 1s1i n GLY 109 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1s1i s THR 110 N 9.95 -0.01 0.24 2.61 -1.32 -1.25 -4.99 115.64 120.88 1s1i s THR 110 Ca 1.03 0.04 -0.30 0.00 -1.21 0.00 0.00 61.69 61.25 1s1i s THR 110 Cb -0.38 -0.44 -0.09 0.00 -1.51 0.00 0.00 72.50 70.08 1s1i s THR 110 CO 0.34 0.01 1.21 -0.63 -2.21 0.00 0.00 174.62 173.34 1s1i s ILE 111 N 0.50 3.32 -0.04 5.08 -1.09 -1.26 -3.21 121.20 124.50 1s1i s ILE 111 Ca -0.03 1.20 -0.20 0.00 -2.23 0.00 0.00 60.65 59.39 1s1i s ILE 111 Cb -0.04 -3.76 0.04 0.00 -1.58 0.00 0.00 42.46 37.11 1s1i s ILE 111 CO -0.03 0.23 0.45 -0.69 -1.23 0.00 0.00 174.94 173.68 1s1i s VAL 112 N -0.52 0.03 0.31 2.92 1.01 -0.58 -3.12 120.40 120.47 1s1i s VAL 112 Ca 0.51 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.25 1s1i s VAL 112 Cb -0.34 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1s1i s VAL 112 CO 0.41 -0.15 0.15 -0.44 0.00 0.00 0.00 175.10 175.08 1s1i s SER 113 N -1.12 1.68 -1.16 3.32 0.01 -1.24 -0.92 113.70 114.28 1s1i s SER 113 Ca -0.11 -1.56 -0.19 0.00 1.31 0.00 0.00 55.95 55.40 1s1i s SER 113 Cb -0.03 0.37 -0.01 0.00 0.21 0.00 0.00 66.02 66.56 1s1i s SER 113 CO 0.06 -0.88 0.77 -3.20 0.41 0.00 0.00 173.24 170.40 1s1i n ASN 114 N -0.95 -4.91 -4.89 2.44 2.85 -0.42 -1.08 115.26 108.30 1s1i n ASN 114 Ca 0.00 -1.01 -0.29 0.00 -0.11 0.00 0.00 54.58 53.18 1s1i n ASN 114 Cb 0.65 -3.41 0.01 0.00 1.24 0.00 0.00 39.78 38.27 1s1i n ASN 114 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1s1i s VAL 115 N -3.50 4.66 0.13 3.44 -7.23 -1.10 -4.24 120.40 112.55 1s1i s VAL 115 Ca 0.43 0.49 0.05 0.00 -1.81 0.00 0.00 61.98 61.15 1s1i s VAL 115 Cb -0.15 -3.82 -0.04 0.00 0.56 0.00 0.00 36.38 32.93 1s1i s VAL 115 CO 0.86 -0.94 0.05 -1.83 -0.31 0.00 0.00 175.10 172.93 1s1i s GLU 116 N -4.98 2.66 -1.06 4.82 -1.05 -1.26 -0.11 118.70 117.72 1s1i s GLU 116 Ca 0.52 -0.88 -0.03 0.00 -0.15 0.00 0.00 54.97 54.42 1s1i s GLU 116 Cb -0.11 -2.56 0.31 0.00 -0.44 0.00 0.00 34.13 31.33 1s1i s GLU 116 CO 0.49 0.51 1.53 -1.91 0.95 0.00 0.00 175.26 176.83 1s1i n GLU 117 N 0.16 4.62 0.00 -4.83 0.00 -1.26 -4.74 120.64 114.59 1s1i n GLU 117 Ca -0.10 -4.58 0.00 0.00 0.00 0.00 0.00 57.16 52.48 1s1i n GLU 117 Cb 0.53 -2.50 0.00 0.00 0.00 0.00 0.00 31.44 29.47 1s1i n GLU 117 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1s1i n LYS 118 N 1.06 0.00 -1.69 5.31 4.76 -1.26 -4.91 118.16 121.43 1s1i n LYS 118 Ca 0.30 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.33 1s1i n LYS 118 Cb 0.32 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.53 1s1i n LYS 118 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1s1i n PRO 119 N -0.71 1.79 0.00 1.97 -0.04 -1.26 -1.31 135.00 135.44 1s1i n PRO 119 Ca 0.00 0.64 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 1s1i n PRO 119 Cb 0.00 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.10 1s1i n PRO 119 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s1i n GLY 120 N 0.87 2.62 3.80 0.55 0.00 -1.26 -4.97 105.19 106.80 1s1i n GLY 120 Ca 0.08 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1s1i n GLY 120 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1s1i s ASP 121 N 0.35 7.15 0.46 1.61 1.47 -0.43 -4.93 116.67 122.35 1s1i s ASP 121 Ca 0.00 1.67 -0.23 0.00 1.18 0.00 0.00 52.55 55.18 1s1i s ASP 121 Cb 0.00 -2.52 -0.10 0.00 -0.34 0.00 0.00 42.92 39.96 1s1i s ASP 121 CO 0.00 -0.12 0.90 -1.14 0.68 0.00 0.00 175.17 175.50 1s1i n ARG 122 N 0.28 1.11 -1.80 2.11 3.00 -1.26 -4.61 116.66 115.48 1s1i n ARG 122 Ca 0.02 0.40 -0.42 0.00 -0.00 0.00 0.00 57.85 57.86 1s1i n ARG 122 Cb 0.51 -1.97 -0.02 0.00 0.00 0.00 0.00 32.46 30.99 1s1i n ARG 122 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1s1i s GLY 123 N -0.89 2.00 -0.52 5.14 0.00 -1.26 -4.43 107.32 107.37 1s1i s GLY 123 Ca 0.66 1.54 0.07 0.00 0.00 0.00 0.00 44.72 46.99 1s1i s GLY 123 CO 0.55 2.57 0.67 0.00 0.00 0.00 0.00 173.10 176.89 1s1i n ALA 124 N 2.49 3.33 -3.57 3.20 0.00 0.84 -4.78 120.51 122.01 1s1i n ALA 124 Ca 0.09 -4.13 -0.09 0.00 0.00 0.00 0.00 53.44 49.31 1s1i n ALA 124 Cb 0.37 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 1s1i n ALA 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1s1i s LEU 125 N -2.03 -0.33 -1.52 0.00 1.02 -0.89 -4.68 118.68 110.25 1s1i s LEU 125 Ca 0.39 0.30 -0.01 0.00 0.02 0.00 0.00 54.13 54.82 1s1i s LEU 125 Cb 0.18 1.79 0.00 0.00 0.02 0.00 0.00 46.19 48.18 1s1i s LEU 125 CO -0.06 -0.35 0.10 0.00 0.02 0.00 0.00 176.35 176.06 1s1i n ALA 126 N 0.54 -0.73 0.17 4.21 0.00 -1.26 -1.29 120.51 122.14 1s1i n ALA 126 Ca -0.09 0.16 -0.08 0.00 0.00 0.00 0.00 53.44 53.43 1s1i n ALA 126 Cb 0.58 -2.25 -0.04 0.00 0.00 0.00 0.00 19.45 17.75 1s1i n ALA 126 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1s1i h ARG 127 N -0.22 -0.49 -6.52 0.00 -0.00 -1.94 -3.19 114.38 102.01 1s1i h ARG 127 Ca -0.44 0.03 -0.46 0.00 -0.00 0.00 0.00 59.98 59.11 1s1i h ARG 127 Cb 1.32 0.11 0.24 0.00 -0.00 0.00 0.00 29.97 31.64 1s1i h ARG 127 CO 0.51 -0.31 -1.45 0.00 -0.00 0.00 0.00 179.97 178.72 1s1i n ALA 128 N -2.73 -4.54 -1.76 0.08 0.00 -1.26 -4.77 120.51 105.53 1s1i n ALA 128 Ca -0.07 -1.31 -0.39 0.00 0.00 0.00 0.00 53.44 51.67 1s1i n ALA 128 Cb 0.21 -1.36 0.02 0.00 0.00 0.00 0.00 19.45 18.32 1s1i n ALA 128 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1s1i s SER 129 N -1.65 5.77 0.00 0.00 0.01 -1.26 -2.59 113.70 113.98 1s1i s SER 129 Ca 0.52 2.73 0.00 0.00 1.31 0.00 0.00 55.95 60.50 1s1i s SER 129 Cb -0.07 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1s1i s SER 129 CO 0.66 -1.23 0.00 0.61 0.41 0.00 0.00 173.24 173.69 1s1i n GLY 130 N 0.63 0.37 3.85 3.44 0.00 0.35 -4.89 105.19 108.94 1s1i n GLY 130 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1s1i n GLY 130 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s1i s ASN 131 N -2.27 6.78 0.15 1.61 0.01 -1.07 -4.42 114.94 115.72 1s1i s ASN 131 Ca 0.00 1.10 -0.01 0.00 -0.71 0.00 0.00 52.86 53.24 1s1i s ASN 131 Cb 0.00 -2.30 -0.04 0.00 0.41 0.00 0.00 41.25 39.32 1s1i s ASN 131 CO 0.00 -0.02 0.08 -0.72 -1.51 0.00 0.00 177.10 174.94 1s1i s TYR 132 N -1.68 0.89 0.12 2.20 -0.85 -1.26 -1.94 117.35 114.83 1s1i s TYR 132 Ca 0.44 -1.24 0.10 0.00 -0.52 0.00 0.00 57.07 55.86 1s1i s TYR 132 Cb -0.13 -0.47 -0.04 0.00 0.38 0.00 0.00 41.96 41.70 1s1i s TYR 132 CO 0.20 -0.56 -0.26 0.54 -1.52 0.00 0.00 175.55 173.95 1s1i s VAL 133 N -4.07 2.16 -0.06 -3.49 0.11 -0.10 -4.05 120.40 110.92 1s1i s VAL 133 Ca 0.27 -1.70 0.05 0.00 -2.93 0.00 0.00 61.98 57.67 1s1i s VAL 133 Cb 0.07 -1.92 -0.02 0.00 -1.53 0.00 0.00 36.38 32.99 1s1i s VAL 133 CO 0.04 0.08 -0.22 0.27 -3.33 0.00 0.00 175.10 171.95 1s1i s ILE 134 N -1.06 2.38 -0.23 7.04 -5.25 -1.26 -1.52 121.20 121.30 1s1i s ILE 134 Ca 0.13 -0.96 -0.17 0.00 -0.99 0.00 0.00 60.65 58.66 1s1i s ILE 134 Cb -0.10 -1.89 -0.03 0.00 2.95 0.00 0.00 42.46 43.39 1s1i s ILE 134 CO 0.05 0.57 0.46 -0.51 -1.79 0.00 0.00 174.94 173.72 1s1i s ILE 135 N -0.31 5.14 0.18 8.37 2.07 -1.20 -1.37 121.20 134.08 1s1i s ILE 135 Ca 0.01 0.80 0.09 0.00 -1.41 0.00 0.00 60.65 60.14 1s1i s ILE 135 Cb -0.13 -3.78 -0.04 0.00 0.13 0.00 0.00 42.46 38.64 1s1i s ILE 135 CO 0.02 0.17 -0.18 -0.63 -1.91 0.00 0.00 174.94 172.41 1s1i s ILE 136 N 1.78 1.92 0.00 2.00 -1.09 -1.21 -2.30 121.20 122.30 1s1i s ILE 136 Ca 0.20 -2.02 0.00 0.00 -2.23 0.00 0.00 60.65 56.60 1s1i s ILE 136 Cb -0.15 -1.95 0.00 0.00 -1.58 0.00 0.00 42.46 38.78 1s1i s ILE 136 CO 0.09 -0.35 0.00 0.61 -1.23 0.00 0.00 174.94 174.06 1s1i n GLY 137 N 0.10 0.41 3.49 6.18 0.00 -1.26 -3.01 105.19 111.08 1s1i n GLY 137 Ca -0.11 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 1s1i n GLY 137 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1s1i n HIS 138 N 0.00 2.06 0.05 1.61 1.44 -1.26 -4.59 115.22 114.52 1s1i n HIS 138 Ca 0.00 -1.23 -0.13 0.00 -2.01 0.00 0.00 57.72 54.35 1s1i n HIS 138 Cb 0.00 -2.32 -0.09 0.00 0.12 0.00 0.00 29.99 27.70 1s1i n HIS 138 CO 0.00 0.00 0.00 -0.91 -2.81 0.00 0.00 176.34 172.62 1s1i h ASN 139 N 9.74 -0.09 -3.84 4.39 4.21 -1.94 -3.35 115.58 124.70 1s1i h ASN 139 Ca 0.22 -0.26 -0.47 0.00 1.21 0.00 0.00 56.30 57.00 1s1i h ASN 139 Cb 0.88 0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 38.08 1s1i h ASN 139 CO 1.38 0.22 0.22 -2.84 -1.29 0.00 0.00 177.43 175.12 1s1i s PRO 140 N -4.99 4.21 0.06 0.81 0.02 -1.26 -5.04 135.00 128.80 1s1i s PRO 140 Ca -0.15 0.96 -0.05 0.00 0.02 0.00 0.00 61.00 61.78 1s1i s PRO 140 Cb 0.03 -2.47 -0.02 0.00 0.02 0.00 0.00 34.50 32.07 1s1i s PRO 140 CO 0.64 0.14 0.07 0.16 -0.33 0.00 0.00 177.00 177.69 1s1i s ASP 141 N -2.05 0.28 0.00 2.53 -4.77 -1.26 -5.07 116.67 106.34 1s1i s ASP 141 Ca 0.55 -0.73 0.00 0.00 -3.30 0.00 0.00 52.55 49.06 1s1i s ASP 141 Cb -0.12 0.24 0.00 0.00 -1.09 0.00 0.00 42.92 41.95 1s1i s ASP 141 CO 0.17 -0.60 0.00 -1.84 0.70 0.00 0.00 175.17 173.61 1s1i n GLU 142 N 0.33 0.00 -2.04 2.11 0.28 -1.26 -5.02 120.64 115.04 1s1i n GLU 142 Ca -0.16 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.45 1s1i n GLU 142 Cb 0.60 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.45 1s1i n GLU 142 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1s1i n ASN 143 N 0.00 3.84 0.00 -1.84 5.03 -1.26 -4.63 115.26 116.39 1s1i n ASN 143 Ca 0.00 -2.81 0.00 0.00 0.87 0.00 0.00 54.58 52.64 1s1i n ASN 143 Cb 0.00 -1.63 0.00 0.00 -1.02 0.00 0.00 39.78 37.13 1s1i n ASN 143 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1s1i n LYS 144 N 7.69 0.00 -4.30 3.52 0.00 -1.26 -4.93 118.16 118.88 1s1i n LYS 144 Ca 0.49 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.60 1s1i n LYS 144 Cb 0.44 0.00 -0.16 0.00 -0.00 0.00 0.00 35.03 35.31 1s1i n LYS 144 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1s1i s THR 145 N -0.27 0.68 0.29 0.58 -1.32 -1.26 -4.53 115.64 109.80 1s1i s THR 145 Ca 0.00 -0.26 -0.01 0.00 -1.21 0.00 0.00 61.69 60.21 1s1i s THR 145 Cb 0.00 -0.64 -0.04 0.00 -1.51 0.00 0.00 72.50 70.31 1s1i s THR 145 CO 0.00 0.23 0.50 0.00 -2.21 0.00 0.00 174.62 173.14 1s1i s ARG 146 N 0.49 3.53 0.00 7.08 1.70 -1.16 0.01 118.95 130.60 1s1i s ARG 146 Ca -0.07 -0.26 0.00 0.00 -0.47 0.00 0.00 55.73 54.93 1s1i s ARG 146 Cb -0.11 -2.71 0.00 0.00 -0.57 0.00 0.00 34.95 31.55 1s1i s ARG 146 CO 0.01 0.24 0.00 1.33 -1.08 0.00 0.00 175.30 175.80 1s1i n VAL 147 N -1.24 0.00 -2.35 4.99 0.24 -0.67 -3.29 118.33 116.02 1s1i n VAL 147 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1s1i n VAL 147 Cb 0.55 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 1s1i n VAL 147 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1s1i n ARG 148 N 0.00 0.00 -4.02 7.34 5.12 -0.47 -4.30 116.66 120.33 1s1i n ARG 148 Ca 0.00 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.79 1s1i n ARG 148 Cb 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.28 1s1i n ARG 148 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1s1i s LEU 149 N 0.00 0.76 0.06 0.55 1.43 -1.18 -4.53 118.68 115.77 1s1i s LEU 149 Ca 0.00 -1.40 -0.35 0.00 -1.03 0.00 0.00 54.13 51.35 1s1i s LEU 149 Cb 0.00 1.83 -0.19 0.00 0.03 0.00 0.00 46.19 47.86 1s1i s LEU 149 CO 0.00 -1.40 1.53 1.55 0.23 0.00 0.00 176.35 178.26 1s1i h PRO 150 N 2.08 -1.18 -7.23 1.29 0.13 -1.94 -3.41 132.00 121.74 1s1i h PRO 150 Ca -0.29 0.08 -0.51 0.00 -0.87 0.00 0.00 66.00 64.41 1s1i h PRO 150 Cb 1.24 0.27 0.12 0.00 0.13 0.00 0.00 31.00 32.76 1s1i h PRO 150 CO 0.39 -0.79 0.35 0.45 -0.23 0.00 0.00 178.00 178.18 1s1i s SER 151 N -3.91 4.76 0.22 1.44 0.15 -1.26 -4.87 113.70 110.23 1s1i s SER 151 Ca -0.18 2.00 -0.30 0.00 0.70 0.00 0.00 55.95 58.17 1s1i s SER 151 Cb 0.02 -2.55 -0.09 0.00 -1.71 0.00 0.00 66.02 61.69 1s1i s SER 151 CO 0.56 -1.87 1.33 -0.83 1.20 0.00 0.00 173.24 173.63 1s1i s GLY 152 N -2.74 2.51 -0.22 9.45 0.00 -1.26 -4.92 107.32 110.14 1s1i s GLY 152 Ca 0.66 1.16 -0.33 0.00 0.00 0.00 0.00 44.72 46.21 1s1i s GLY 152 CO 0.46 2.07 1.23 0.00 0.00 0.00 0.00 173.10 176.86 1s1i s ALA 153 N -0.09 -2.07 -0.08 3.20 0.00 -1.26 -4.89 121.76 116.57 1s1i s ALA 153 Ca 0.56 1.70 0.04 0.00 0.00 0.00 0.00 51.96 54.26 1s1i s ALA 153 Cb -0.38 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 1s1i s ALA 153 CO 0.41 -0.44 -0.19 -1.59 0.00 0.00 0.00 175.76 173.94 1s1i s LYS 154 N -1.78 2.77 -0.00 0.00 0.00 -1.26 -3.08 119.74 116.38 1s1i s LYS 154 Ca 0.08 -0.80 0.05 0.00 0.00 0.00 0.00 55.97 55.30 1s1i s LYS 154 Cb -0.01 -2.34 -0.01 0.00 0.00 0.00 0.00 37.83 35.47 1s1i s LYS 154 CO -0.05 0.39 -0.16 0.15 0.00 0.00 0.00 175.35 175.69 1s1i s LYS 155 N -0.16 1.26 -0.27 1.78 -0.14 -1.26 -4.96 119.74 115.99 1s1i s LYS 155 Ca -0.02 -0.61 -0.12 0.00 -1.36 0.00 0.00 55.97 53.86 1s1i s LYS 155 Cb -0.14 -1.23 -0.05 0.00 -1.68 0.00 0.00 37.83 34.74 1s1i s LYS 155 CO 0.04 0.33 0.23 0.14 -0.76 0.00 0.00 175.35 175.33 1s1i s VAL 156 N -0.45 5.28 -0.38 3.17 -7.23 -1.26 -1.66 120.40 117.87 1s1i s VAL 156 Ca 0.06 0.28 0.02 0.00 -1.81 0.00 0.00 61.98 60.53 1s1i s VAL 156 Cb -0.06 -3.57 0.16 0.00 0.56 0.00 0.00 36.38 33.46 1s1i s VAL 156 CO -0.00 0.24 0.29 -0.51 -0.31 0.00 0.00 175.10 174.81 1s1i s ILE 157 N 1.76 0.19 0.00 -0.62 -1.16 0.10 -4.84 121.20 116.63 1s1i s ILE 157 Ca 0.09 -2.13 0.00 0.00 -0.51 0.00 0.00 60.65 58.10 1s1i s ILE 157 Cb -0.16 -1.14 0.00 0.00 0.61 0.00 0.00 42.46 41.77 1s1i s ILE 157 CO 0.10 -1.08 0.00 -1.54 -2.81 0.00 0.00 174.94 169.61 1s1i n SER 158 N 3.44 0.00 -0.36 4.50 3.41 -1.26 -4.23 113.62 119.11 1s1i n SER 158 Ca 0.21 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.78 1s1i n SER 158 Cb 0.43 -0.21 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 1s1i n SER 158 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1s1i n SER 159 N 0.08 -4.98 0.00 4.04 3.41 -1.26 -4.48 113.62 110.43 1s1i n SER 159 Ca 0.00 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1s1i n SER 159 Cb 0.00 -3.32 0.00 0.00 -0.26 0.00 0.00 64.21 60.63 1s1i n SER 159 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1s1i n ASP 160 N -0.53 0.34 -4.74 4.04 5.75 -1.26 -2.34 116.55 117.81 1s1i n ASP 160 Ca -0.04 -0.78 -0.41 0.00 -0.01 0.00 0.00 54.79 53.55 1s1i n ASP 160 Cb 0.46 0.14 -0.04 0.00 -1.03 0.00 0.00 41.12 40.65 1s1i n ASP 160 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1s1i s ALA 161 N -0.14 3.37 0.00 2.12 0.00 -1.26 -4.58 121.76 121.26 1s1i s ALA 161 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1s1i s ALA 161 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1s1i s ALA 161 CO 0.00 -0.20 0.00 2.89 0.00 0.00 0.00 175.76 178.45 1s1i n ARG 162 N 2.38 3.99 0.00 0.00 -4.01 -1.26 0.12 116.66 117.89 1s1i n ARG 162 Ca 0.03 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.84 1s1i n ARG 162 Cb 0.46 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.88 1s1i n ARG 162 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1s1i n GLY 163 N 0.00 2.10 3.60 2.89 0.00 -1.24 -2.53 105.19 110.01 1s1i n GLY 163 Ca 0.00 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 1s1i n GLY 163 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1s1i n VAL 164 N -1.52 0.00 0.14 1.61 0.24 -0.24 -3.10 118.33 115.46 1s1i n VAL 164 Ca 0.00 -2.44 -0.06 0.00 -2.04 0.00 0.00 64.34 59.80 1s1i n VAL 164 Cb 0.00 0.64 -0.03 0.00 -1.47 0.00 0.00 33.84 32.98 1s1i n VAL 164 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 1s1i h ILE 165 N 1.43 0.00 -0.71 1.34 6.09 -1.82 -3.27 117.51 120.56 1s1i h ILE 165 Ca -0.39 -0.41 0.23 0.00 -1.37 0.00 0.00 64.86 62.92 1s1i h ILE 165 Cb 1.28 0.00 -0.32 0.00 0.47 0.00 0.00 36.82 38.25 1s1i h ILE 165 CO 0.64 0.00 0.70 -0.83 -3.07 0.00 0.00 178.15 175.59 1s1i s GLY 166 N -2.51 0.56 0.08 8.18 0.00 -1.18 -3.33 107.32 109.13 1s1i s GLY 166 Ca -0.06 3.84 0.00 0.00 0.00 0.00 0.00 44.72 48.49 1s1i s GLY 166 CO 0.18 2.99 0.00 -0.62 0.00 0.00 0.00 173.10 175.65 1s1i n VAL 167 N 3.54 -0.07 -4.50 1.40 0.31 -1.26 -4.52 118.33 113.22 1s1i n VAL 167 Ca -0.13 0.11 -0.23 0.00 -0.01 0.00 0.00 64.34 64.07 1s1i n VAL 167 Cb 0.56 -0.18 -0.14 0.00 -0.91 0.00 0.00 33.84 33.18 1s1i n VAL 167 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1s1i s ILE 168 N -2.67 1.45 0.78 2.52 -1.09 -0.72 -4.52 121.20 116.95 1s1i s ILE 168 Ca 0.00 -1.14 -0.14 0.00 -2.23 0.00 0.00 60.65 57.14 1s1i s ILE 168 Cb 0.00 -1.28 0.07 0.00 -1.58 0.00 0.00 42.46 39.67 1s1i s ILE 168 CO 0.00 0.11 1.20 0.00 -1.23 0.00 0.00 174.94 175.02 1s1i s ALA 169 N -0.84 1.94 0.00 9.38 0.00 0.46 -0.50 121.76 132.20 1s1i s ALA 169 Ca 0.05 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1s1i s ALA 169 Cb -0.08 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1s1i s ALA 169 CO 0.02 -2.14 0.00 0.41 0.00 0.00 0.00 175.76 174.05 1s1i n GLY 170 N 0.41 1.22 0.00 0.00 0.00 -1.26 -2.37 105.19 103.18 1s1i n GLY 170 Ca 0.13 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1s1i n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s1i n GLY 171 N 1.93 0.75 0.00 -0.02 0.00 -1.26 -1.19 105.19 105.40 1s1i n GLY 171 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1s1i n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s1i n GLY 172 N 3.61 -0.79 0.30 -0.02 0.00 -1.26 -4.19 105.19 102.84 1s1i n GLY 172 Ca 0.00 -1.67 -0.16 0.00 0.00 0.00 0.00 46.02 44.19 1s1i n GLY 172 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1s1i h ARG 173 N 0.00 -0.68 -1.57 1.61 1.12 -1.94 -3.45 114.38 109.48 1s1i h ARG 173 Ca 0.00 0.05 0.08 0.00 -1.11 0.00 0.00 59.98 59.00 1s1i h ARG 173 Cb 0.00 0.15 -0.27 0.00 -0.01 0.00 0.00 29.97 29.85 1s1i h ARG 173 CO 0.00 -0.43 0.44 0.14 -3.11 0.00 0.00 179.97 177.01 1s1i s VAL 174 N -5.88 0.00 -0.27 0.20 -7.23 -1.26 -5.03 120.40 100.92 1s1i s VAL 174 Ca -0.16 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.72 1s1i s VAL 174 Cb 0.04 -1.00 -0.01 0.00 0.56 0.00 0.00 36.38 35.97 1s1i s VAL 174 CO 0.61 0.00 1.41 -1.81 -0.31 0.00 0.00 175.10 175.01 1s1i s ASP 175 N 0.61 6.56 0.34 4.85 1.01 -1.26 -4.68 116.67 124.10 1s1i s ASP 175 Ca -0.01 1.34 0.00 0.00 0.71 0.00 0.00 52.55 54.60 1s1i s ASP 175 Cb -0.05 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.35 1s1i s ASP 175 CO -0.10 -1.15 0.00 0.29 0.21 0.00 0.00 175.17 174.42 1s1i n LYS 176 N 7.45 -2.62 -0.06 8.23 4.76 -1.26 -4.99 118.16 129.68 1s1i n LYS 176 Ca 0.16 1.82 -0.10 0.00 -2.87 0.00 0.00 58.31 57.32 1s1i n LYS 176 Cb 0.46 -3.17 -0.10 0.00 -1.84 0.00 0.00 35.03 30.39 1s1i n LYS 176 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1s1i h PRO 177 N -1.19 -0.01 -5.94 1.97 0.13 -2.01 -3.50 132.00 121.46 1s1i h PRO 177 Ca -0.01 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.73 1s1i h PRO 177 Cb 1.16 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.39 1s1i h PRO 177 CO 0.02 0.71 -0.83 -0.11 -0.23 0.00 0.00 178.00 177.56 1s1i n LEU 178 N -4.67 -3.54 -4.71 1.56 7.94 -1.26 -4.98 117.00 107.34 1s1i n LEU 178 Ca -0.07 -0.78 -0.32 0.00 -1.11 0.00 0.00 56.01 53.73 1s1i n LEU 178 Cb 0.35 -2.79 0.14 0.00 0.53 0.00 0.00 43.42 41.64 1s1i n LEU 178 CO 0.25 0.38 0.70 -0.76 -1.11 0.00 0.00 177.39 176.85 1s1i s LEU 179 N -6.46 2.97 1.23 -1.96 1.02 -1.26 -4.94 118.68 109.28 1s1i s LEU 179 Ca 0.09 2.12 -0.19 0.00 0.02 0.00 0.00 54.13 56.17 1s1i s LEU 179 Cb -0.02 -4.56 0.30 0.00 0.02 0.00 0.00 46.19 41.93 1s1i s LEU 179 CO 0.79 -2.70 1.05 -1.59 0.02 0.00 0.00 176.35 173.93 1s1i s LYS 180 N -4.60 -1.45 2.34 1.70 0.00 -1.26 -4.72 119.74 111.76 1s1i s LYS 180 Ca 0.66 0.15 0.00 0.00 0.00 0.00 0.00 55.97 56.79 1s1i s LYS 180 Cb -0.22 -1.55 0.00 0.00 0.00 0.00 0.00 37.83 36.06 1s1i s LYS 180 CO 0.55 -3.91 0.00 0.00 0.00 0.00 0.00 175.35 172.00 1s1i n ALA 181 N -4.94 0.00 -0.98 0.59 0.00 -1.26 -4.80 120.51 109.13 1s1i n ALA 181 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.18 1s1i n ALA 181 Cb 0.59 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.08 1s1i n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s1i n GLY 182 N 0.00 -3.80 2.29 0.00 0.00 -1.26 -2.54 105.19 99.88 1s1i n GLY 182 Ca 0.00 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 1s1i n GLY 182 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s1i n ARG 183 N 2.13 -0.68 0.00 1.61 5.12 -1.26 -4.65 116.66 118.93 1s1i n ARG 183 Ca -0.01 0.79 0.00 0.00 -1.93 0.00 0.00 57.85 56.70 1s1i n ARG 183 Cb 0.64 -4.68 0.00 0.00 -1.16 0.00 0.00 32.46 27.26 1s1i n ARG 183 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1s1i n ALA 184 N 1.16 1.72 -0.09 7.54 0.00 -1.05 -4.78 120.51 125.01 1s1i n ALA 184 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 1s1i n ALA 184 Cb 0.31 0.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.79 1s1i n ALA 184 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1s1i h PHE 185 N 0.00 0.49 -4.35 0.00 -0.00 -1.83 -3.02 116.94 108.24 1s1i h PHE 185 Ca 0.00 -0.06 -0.51 0.00 -0.00 0.00 0.00 57.97 57.39 1s1i h PHE 185 Cb 0.16 -0.14 0.08 0.00 -0.00 0.00 0.00 35.95 36.06 1s1i h PHE 185 CO 0.00 0.55 0.39 -3.38 -0.00 0.00 0.00 178.31 175.87 1s1i s HIS 186 N -5.23 3.29 -1.62 6.09 -3.43 -1.26 -2.06 115.29 111.06 1s1i s HIS 186 Ca -0.13 1.38 0.00 0.00 -0.80 0.00 0.00 55.06 55.50 1s1i s HIS 186 Cb 0.08 -2.83 0.00 0.00 -1.43 0.00 0.00 32.58 28.40 1s1i s HIS 186 CO 0.74 -1.05 0.00 1.63 -2.00 0.00 0.00 174.74 174.06 1s1i n LYS 187 N -3.00 -1.39 -3.89 -0.38 4.76 -1.26 -4.62 118.16 108.37 1s1i n LYS 187 Ca 0.07 0.93 -0.09 0.00 -2.87 0.00 0.00 58.31 56.35 1s1i n LYS 187 Cb 0.54 -5.38 -0.07 0.00 -1.84 0.00 0.00 35.03 28.28 1s1i n LYS 187 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1s1i s TYR 188 N -2.84 0.25 -0.15 2.13 5.04 -0.88 -4.83 117.35 116.07 1s1i s TYR 188 Ca 0.00 -0.64 0.00 0.00 -2.44 0.00 0.00 57.07 53.99 1s1i s TYR 188 Cb 0.00 -0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.28 1s1i s TYR 188 CO 0.00 -0.65 0.00 -2.13 -1.34 0.00 0.00 175.55 171.43 1s1i n ARG 189 N -0.16 -1.31 0.00 4.97 3.00 -1.26 -4.61 116.66 117.29 1s1i n ARG 189 Ca -0.11 0.40 0.00 0.00 -0.00 0.00 0.00 57.85 58.14 1s1i n ARG 189 Cb 0.63 -4.42 0.00 0.00 0.00 0.00 0.00 32.46 28.66 1s1i n ARG 189 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1s1i n LEU 190 N -0.16 0.00 -4.29 6.15 -0.00 -1.26 -4.91 117.00 112.53 1s1i n LEU 190 Ca -0.01 -0.20 -0.16 0.00 -0.00 0.00 0.00 56.01 55.64 1s1i n LEU 190 Cb 0.35 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.67 1s1i n LEU 190 CO 0.02 0.00 -0.34 -1.59 -0.00 0.00 0.00 177.39 175.48 1s1i s LYS 191 N -1.29 1.23 -0.14 1.47 -2.85 -1.26 -4.65 119.74 112.25 1s1i s LYS 191 Ca 0.00 -1.61 -0.29 0.00 -1.00 0.00 0.00 55.97 53.07 1s1i s LYS 191 Cb 0.00 -0.49 -0.03 0.00 -2.06 0.00 0.00 37.83 35.24 1s1i s LYS 191 CO 0.00 -0.09 1.52 1.03 0.10 0.00 0.00 175.35 177.91 1s1i s ARG 192 N -3.87 4.09 0.00 1.78 0.52 -1.15 -4.70 118.95 115.62 1s1i s ARG 192 Ca 0.26 1.87 0.00 0.00 -0.52 0.00 0.00 55.73 57.34 1s1i s ARG 192 Cb 0.05 -3.93 0.00 0.00 0.52 0.00 0.00 34.95 31.59 1s1i s ARG 192 CO 0.06 -0.93 0.00 0.27 0.02 0.00 0.00 175.30 174.73 1s1i n ASN 193 N 7.33 0.00 -4.44 0.23 0.23 -1.25 -4.91 115.26 112.45 1s1i n ASN 193 Ca 0.17 0.00 -0.33 0.00 -0.53 0.00 0.00 54.58 53.89 1s1i n ASN 193 Cb 0.44 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.01 1s1i n ASN 193 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1s1i s SER 194 N 0.00 4.08 0.02 0.53 1.04 -1.26 -4.62 113.70 113.49 1s1i s SER 194 Ca 0.00 -0.24 -0.04 0.00 0.48 0.00 0.00 55.95 56.15 1s1i s SER 194 Cb 0.00 -1.20 -0.01 0.00 0.10 0.00 0.00 66.02 64.91 1s1i s SER 194 CO 0.00 0.27 0.06 0.86 0.98 0.00 0.00 173.24 175.41 1s1i s TRP 195 N -0.27 0.20 0.19 5.02 -0.11 -1.26 -4.65 118.94 118.05 1s1i s TRP 195 Ca 0.02 -0.45 -0.03 0.00 1.22 0.00 0.00 56.10 56.86 1s1i s TRP 195 Cb -0.13 -0.15 0.04 0.00 -1.50 0.00 0.00 33.47 31.74 1s1i s TRP 195 CO 0.03 -0.29 0.22 -0.35 -4.62 0.00 0.00 176.95 171.94 1s1i n PRO 196 N 1.15 -0.61 -4.45 5.86 -0.04 -1.26 -5.15 135.00 130.50 1s1i n PRO 196 Ca -0.21 -0.35 -0.29 0.00 -0.04 0.00 0.00 63.50 62.61 1s1i n PRO 196 Cb 0.57 -0.26 -0.13 0.00 -0.04 0.00 0.00 33.50 33.64 1s1i n PRO 196 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1s1i s LYS 197 N -3.49 1.45 0.25 0.54 0.00 -1.26 -5.13 119.74 112.09 1s1i s LYS 197 Ca 0.13 -1.32 0.11 0.00 0.00 0.00 0.00 55.97 54.89 1s1i s LYS 197 Cb -0.01 -1.91 -0.05 0.00 0.00 0.00 0.00 37.83 35.87 1s1i s LYS 197 CO 0.09 0.46 -0.16 -0.08 0.00 0.00 0.00 175.35 175.66 1s1i s THR 198 N -1.03 2.71 -0.19 3.79 -1.32 -1.26 -5.12 115.64 113.22 1s1i s THR 198 Ca 0.14 -2.18 -0.04 0.00 -1.21 0.00 0.00 61.69 58.39 1s1i s THR 198 Cb -0.10 -2.40 0.08 0.00 -1.51 0.00 0.00 72.50 68.57 1s1i s THR 198 CO 0.06 -0.32 0.18 0.00 -2.21 0.00 0.00 174.62 172.32 1s1i s ARG 199 N -3.34 0.14 7.78 7.08 3.03 -1.26 -5.04 118.95 127.34 1s1i s ARG 199 Ca 0.28 0.12 0.00 0.00 2.03 0.00 0.00 55.73 58.17 1s1i s ARG 199 Cb -0.06 -1.38 0.00 0.00 -1.03 0.00 0.00 34.95 32.48 1s1i s ARG 199 CO 0.15 -0.65 0.00 0.41 -1.13 0.00 0.00 175.30 174.08 1s1i n GLY 200 N 5.31 3.73 3.68 3.88 0.00 -1.26 -4.44 105.19 116.08 1s1i n GLY 200 Ca -0.06 -0.05 -0.47 0.00 0.00 0.00 0.00 46.02 45.44 1s1i n GLY 200 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1s1i n VAL 201 N 0.00 0.32 0.00 1.61 0.31 -1.26 -2.44 118.33 116.87 1s1i n VAL 201 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1s1i n VAL 201 Cb 0.00 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.17 1s1i n VAL 201 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s1i n ALA 202 N 5.22 0.00 -1.72 3.52 0.00 -1.26 -4.98 120.51 121.30 1s1i n ALA 202 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.35 1s1i n ALA 202 Cb 0.30 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.85 1s1i n ALA 202 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1s1i s MET 203 N 0.00 1.89 0.00 0.00 1.75 -1.02 -4.96 119.30 116.96 1s1i s MET 203 Ca 0.00 0.33 0.00 0.00 -1.25 0.00 0.00 55.69 54.77 1s1i s MET 203 Cb 0.00 -1.92 0.00 0.00 2.84 0.00 0.00 34.83 35.75 1s1i s MET 203 CO 0.00 -1.69 0.00 0.27 -0.65 0.00 0.00 175.02 172.95 1s1i n ASN 204 N -3.42 0.00 0.03 1.11 0.23 -1.26 -3.88 115.26 108.07 1s1i n ASN 204 Ca 0.07 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 54.09 1s1i n ASN 204 Cb 0.59 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.20 1s1i n ASN 204 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 1s1i h PRO 205 N 0.00 0.00 -5.89 -0.53 0.13 -1.91 -3.43 132.00 120.36 1s1i h PRO 205 Ca 0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.53 1s1i h PRO 205 Cb 0.00 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.02 1s1i h PRO 205 CO 0.00 0.44 1.08 0.54 -0.23 0.00 0.00 178.00 179.83 1s1i s VAL 206 N -2.82 4.06 0.14 1.56 0.11 -1.26 -3.80 120.40 118.39 1s1i s VAL 206 Ca -0.02 -0.45 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 1s1i s VAL 206 Cb 0.08 -4.90 0.00 0.00 -1.53 0.00 0.00 36.38 30.03 1s1i s VAL 206 CO 0.81 -1.76 0.00 -0.90 -3.33 0.00 0.00 175.10 169.92 1s1i n ASP 207 N 8.45 -1.30 -3.28 3.54 5.75 -1.26 -4.77 116.55 123.69 1s1i n ASP 207 Ca 0.15 0.34 -0.13 0.00 -0.01 0.00 0.00 54.79 55.14 1s1i n ASP 207 Cb 0.49 1.46 -0.03 0.00 -1.03 0.00 0.00 41.12 42.01 1s1i n ASP 207 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1s1i s HIS 208 N -2.00 0.89 0.26 2.11 3.76 -1.25 -4.07 115.29 114.98 1s1i s HIS 208 Ca 0.00 -1.18 -0.30 0.00 -0.15 0.00 0.00 55.06 53.43 1s1i s HIS 208 Cb 0.00 0.05 -0.09 0.00 1.11 0.00 0.00 32.58 33.65 1s1i s HIS 208 CO 0.00 -1.17 1.00 -1.25 -0.85 0.00 0.00 174.74 172.47 1s1i s PRO 209 N -3.05 4.77 0.00 8.40 0.04 -1.26 -3.38 135.00 140.52 1s1i s PRO 209 Ca 0.28 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1s1i s PRO 209 Cb -0.01 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1s1i s PRO 209 CO 0.18 0.40 0.00 0.72 0.04 0.00 0.00 177.00 178.34 1s1i n HIS 210 N 1.37 0.00 -3.43 0.56 8.25 -1.26 -4.86 115.22 115.85 1s1i n HIS 210 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1s1i n HIS 210 Cb 0.46 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 1s1i n HIS 210 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s1i n GLY 211 N 0.00 1.77 0.00 -1.41 0.00 -1.22 -4.30 105.19 100.03 1s1i n GLY 211 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1s1i n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s1i n GLY 212 N 0.00 0.79 0.00 -0.02 0.00 -1.25 -4.04 105.19 100.67 1s1i n GLY 212 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1s1i n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s1i n GLY 213 N 5.00 0.82 0.27 -0.02 0.00 -1.26 -4.88 105.19 105.11 1s1i n GLY 213 Ca 0.00 -1.44 -0.07 0.00 0.00 0.00 0.00 46.02 44.51 1s1i n GLY 213 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1s1i h ASN 214 N 0.00 0.83 0.00 1.61 -0.26 -2.01 -3.45 115.58 112.29 1s1i h ASN 214 Ca 0.00 -0.15 0.00 0.00 -0.56 0.00 0.00 56.30 55.59 1s1i h ASN 214 Cb 0.00 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.05 1s1i h ASN 214 CO 0.00 0.75 0.00 1.57 -1.06 0.00 0.00 177.43 178.69 1s1i n HIS 215 N -4.48 0.00 0.00 1.19 -0.00 -1.26 -5.13 115.22 105.54 1s1i n HIS 215 Ca 0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.22 1s1i n HIS 215 Cb 0.14 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.01 1s1i n HIS 215 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1s1i n GLN 216 N 0.00 0.00 0.00 1.57 1.13 -1.26 -4.89 117.38 113.93 1s1i n GLN 216 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1s1i n GLN 216 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1s1i n GLN 216 CO 0.00 0.00 0.00 -2.39 -1.44 0.00 0.00 177.06 173.23 1s1i n HIS 217 N 0.00 -1.12 -3.95 1.08 1.44 -1.26 -4.81 115.22 106.60 1s1i n HIS 217 Ca 0.00 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.61 1s1i n HIS 217 Cb 0.00 0.14 -0.11 0.00 0.12 0.00 0.00 29.99 30.13 1s1i n HIS 217 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1s1i s ILE 218 N 0.00 0.09 0.85 0.61 -5.25 -1.26 -4.57 121.20 111.66 1s1i s ILE 218 Ca 0.00 -0.72 -0.11 0.00 -0.99 0.00 0.00 60.65 58.83 1s1i s ILE 218 Cb 0.00 -0.24 0.10 0.00 2.95 0.00 0.00 42.46 45.27 1s1i s ILE 218 CO 0.00 -0.40 1.10 -0.83 -1.79 0.00 0.00 174.94 173.02 1s1i s GLY 219 N -1.19 1.65 0.45 6.27 0.00 -1.26 -4.83 107.32 108.41 1s1i s GLY 219 Ca -0.13 0.20 -0.24 0.00 0.00 0.00 0.00 44.72 44.55 1s1i s GLY 219 CO -0.00 0.61 1.07 0.58 0.00 0.00 0.00 173.10 175.36 1s1i n LYS 220 N -3.79 1.43 0.00 2.90 -0.00 -1.26 -4.51 118.16 112.93 1s1i n LYS 220 Ca 0.09 0.52 0.00 0.00 -0.00 0.00 0.00 58.31 58.91 1s1i n LYS 220 Cb 0.54 -2.15 0.00 0.00 -0.00 0.00 0.00 35.03 33.41 1s1i n LYS 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s1i n ALA 221 N -0.62 0.00 -0.58 0.58 0.00 -1.26 -4.95 120.51 113.68 1s1i n ALA 221 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1s1i n ALA 221 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1s1i n ALA 221 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1s1i n SER 222 N 0.00 0.00 -3.93 0.00 7.64 -1.26 -4.98 113.62 111.09 1s1i n SER 222 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 1s1i n SER 222 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 1s1i n SER 222 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1s1i s THR 223 N -3.41 0.49 0.20 0.44 -1.32 -1.26 -2.72 115.64 108.07 1s1i s THR 223 Ca 0.00 -0.17 0.04 0.00 -1.21 0.00 0.00 61.69 60.35 1s1i s THR 223 Cb 0.00 -0.47 -0.05 0.00 -1.51 0.00 0.00 72.50 70.47 1s1i s THR 223 CO 0.00 0.18 -0.05 -0.51 -2.21 0.00 0.00 174.62 172.03 1s1i s ILE 224 N 0.43 1.14 0.71 5.08 -1.16 -1.23 -4.99 121.20 121.17 1s1i s ILE 224 Ca -0.05 -2.06 -0.04 0.00 -0.51 0.00 0.00 60.65 57.99 1s1i s ILE 224 Cb -0.09 -2.16 0.09 0.00 0.61 0.00 0.00 42.46 40.91 1s1i s ILE 224 CO -0.00 -0.48 0.99 -0.44 -2.81 0.00 0.00 174.94 172.20 1s1i s SER 225 N -3.26 4.57 0.95 4.50 0.01 -1.26 -3.38 113.70 115.82 1s1i s SER 225 Ca 0.24 0.09 -0.13 0.00 1.31 0.00 0.00 55.95 57.46 1s1i s SER 225 Cb 0.04 -0.63 0.16 0.00 0.21 0.00 0.00 66.02 65.80 1s1i s SER 225 CO 0.06 -1.72 1.13 -0.60 0.41 0.00 0.00 173.24 172.53 1s1i s ARG 226 N -5.19 0.86 0.00 12.44 3.00 -1.26 -3.32 118.95 125.48 1s1i s ARG 226 Ca 0.63 0.28 0.00 0.00 -1.00 0.00 0.00 55.73 55.64 1s1i s ARG 226 Cb -0.08 -1.81 0.00 0.00 0.00 0.00 0.00 34.95 33.06 1s1i s ARG 226 CO 0.44 -2.39 0.00 0.41 0.00 0.00 0.00 175.30 173.76 1s1i n GLY 227 N -2.00 2.63 3.75 8.12 0.00 -1.26 -4.93 105.19 111.51 1s1i n GLY 227 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1s1i n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1i s ALA 228 N -2.18 3.54 0.69 4.61 0.00 -1.21 -4.95 121.76 122.26 1s1i s ALA 228 Ca 0.00 1.24 -0.11 0.00 0.00 0.00 0.00 51.96 53.08 1s1i s ALA 228 Cb 0.00 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.63 1s1i s ALA 228 CO 0.00 -0.63 1.08 0.14 0.00 0.00 0.00 175.76 176.34 1s1i s VAL 229 N -0.53 3.68 1.14 0.00 -7.23 -1.26 -4.74 120.40 111.45 1s1i s VAL 229 Ca 0.53 0.52 -0.18 0.00 -1.81 0.00 0.00 61.98 61.05 1s1i s VAL 229 Cb -0.39 -3.54 0.17 0.00 0.56 0.00 0.00 36.38 33.18 1s1i s VAL 229 CO 0.46 -0.70 0.27 -1.54 -0.31 0.00 0.00 175.10 173.28 1s1i n SER 230 N -2.95 -2.74 0.00 4.85 3.41 -1.26 -2.34 113.62 112.58 1s1i n SER 230 Ca 0.07 -0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 1s1i n SER 230 Cb 0.57 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1s1i n SER 230 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s1i n GLY 231 N 2.08 2.09 3.63 5.00 0.00 -1.26 -4.76 105.19 111.97 1s1i n GLY 231 Ca 0.04 0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1s1i n GLY 231 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1s1i s GLN 232 N 0.00 0.37 0.00 1.61 2.00 -0.99 -4.77 119.66 117.88 1s1i s GLN 232 Ca 0.00 0.84 0.00 0.00 -2.00 0.00 0.00 55.36 54.20 1s1i s GLN 232 Cb 0.00 -1.70 0.00 0.00 0.80 0.00 0.00 33.01 32.11 1s1i s GLN 232 CO 0.00 -2.85 0.00 0.36 -0.50 0.00 0.00 175.29 172.30 1s1i n LYS 233 N -4.31 0.00 0.00 1.67 -0.00 -1.26 -4.52 118.16 109.75 1s1i n LYS 233 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1s1i n LYS 233 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.58 1s1i n LYS 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s1i n ALA 234 N -1.00 -0.03 -0.95 0.58 0.00 -1.26 -4.90 120.51 112.94 1s1i n ALA 234 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1s1i n ALA 234 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.42 1s1i n ALA 234 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s1i n GLY 235 N 0.31 2.85 3.81 0.00 0.00 -1.26 -4.38 105.19 106.53 1s1i n GLY 235 Ca 0.00 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 1s1i n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s1i s LEU 236 N 0.00 2.85 0.00 0.99 1.02 -1.10 -5.04 118.68 117.40 1s1i s LEU 236 Ca 0.00 1.45 0.00 0.00 0.02 0.00 0.00 54.13 55.60 1s1i s LEU 236 Cb 0.00 -4.18 0.00 0.00 0.02 0.00 0.00 46.19 42.03 1s1i s LEU 236 CO 0.00 -1.72 0.00 -0.38 0.02 0.00 0.00 176.35 174.27 1s1i n ILE 237 N -3.29 0.00 -1.82 -0.59 -0.00 -1.26 -3.74 119.36 108.67 1s1i n ILE 237 Ca 0.07 0.00 -0.42 0.00 -0.00 0.00 0.00 62.75 62.40 1s1i n ILE 237 Cb 0.55 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 40.16 1s1i n ILE 237 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1s1i s ALA 238 N -2.93 3.85 -0.02 -1.39 0.00 -1.22 -3.56 121.76 116.50 1s1i s ALA 238 Ca 0.00 1.50 0.02 0.00 0.00 0.00 0.00 51.96 53.49 1s1i s ALA 238 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1s1i s ALA 238 CO 0.00 -0.87 -0.08 0.00 0.00 0.00 0.00 175.76 174.80 1s1i s ALA 239 N 1.00 0.77 -0.22 0.00 0.00 -1.26 -4.97 121.76 117.07 1s1i s ALA 239 Ca 0.71 -0.32 -0.10 0.00 0.00 0.00 0.00 51.96 52.25 1s1i s ALA 239 Cb -0.47 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 1s1i s ALA 239 CO 0.34 0.14 0.13 -0.98 0.00 0.00 0.00 175.76 175.39 1s1i s ARG 240 N 0.07 4.05 -0.26 0.00 3.03 -1.26 -4.69 118.95 119.89 1s1i s ARG 240 Ca -0.01 -0.28 -0.09 0.00 2.03 0.00 0.00 55.73 57.38 1s1i s ARG 240 Cb -0.07 -3.45 0.01 0.00 -1.03 0.00 0.00 34.95 30.41 1s1i s ARG 240 CO 0.00 0.13 0.20 -2.13 -1.13 0.00 0.00 175.30 172.37 1s1i n ARG 241 N 4.06 -2.08 -1.45 3.89 0.63 -1.26 -4.92 116.66 115.53 1s1i n ARG 241 Ca -0.15 1.85 -0.30 0.00 -0.92 0.00 0.00 57.85 58.33 1s1i n ARG 241 Cb 0.52 -3.57 0.11 0.00 0.45 0.00 0.00 32.46 29.97 1s1i n ARG 241 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1s1i s THR 242 N -1.58 2.76 -5.00 5.15 2.01 -1.26 -4.97 115.64 112.74 1s1i s THR 242 Ca 0.10 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.35 1s1i s THR 242 Cb -0.02 -2.92 0.00 0.00 0.01 0.00 0.00 72.50 69.57 1s1i s THR 242 CO 0.55 -0.32 0.00 0.61 -0.69 0.00 0.00 174.62 174.77 1s1i n GLY 243 N -1.84 -1.09 0.00 4.40 0.00 -1.26 -5.23 105.19 100.16 1s1i n GLY 243 Ca 0.07 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1s1i n GLY 243 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22