#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s20 n VAL 3 N 0.00 0.00 -4.40 -0.18 0.24 0.56 -4.97 118.33 109.58 1s20 n VAL 3 Ca 0.00 -0.49 -0.21 0.00 -2.04 0.00 0.00 64.34 61.60 1s20 n VAL 3 Cb 0.00 0.22 -0.10 0.00 -1.47 0.00 0.00 33.84 32.48 1s20 n VAL 3 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1s20 s THR 4 N -2.09 2.05 0.17 3.34 -4.23 -1.26 -3.28 115.64 110.34 1s20 s THR 4 Ca 0.06 -2.29 -0.15 0.00 -1.18 0.00 0.00 61.69 58.14 1s20 s THR 4 Cb 0.00 -2.15 0.06 0.00 1.34 0.00 0.00 72.50 71.76 1s20 s THR 4 CO 0.05 -0.50 1.73 0.15 -0.54 0.00 0.00 174.62 175.50 1s20 h PHE 5 N 2.46 0.17 -0.73 3.99 3.57 -1.96 -1.93 116.94 122.52 1s20 h PHE 5 Ca -0.39 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.09 1s20 h PHE 5 Cb 1.24 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.93 1s20 h PHE 5 CO 0.76 0.03 0.29 0.93 -2.23 0.00 0.00 178.31 178.09 1s20 h GLU 6 N 0.24 1.08 -0.19 1.11 3.07 -1.99 -2.16 114.58 115.74 1s20 h GLU 6 Ca 0.20 -0.19 -0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1s20 h GLU 6 Cb 0.23 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1s20 h GLU 6 CO -0.25 0.88 0.10 0.37 -1.40 0.00 0.00 179.01 178.71 1s20 h GLN 7 N 1.05 0.27 0.33 2.33 4.15 -1.83 0.16 115.11 121.58 1s20 h GLN 7 Ca 0.24 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.63 1s20 h GLN 7 Cb 0.20 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 1s20 h GLN 7 CO -0.02 0.27 -0.31 -0.07 -1.93 0.00 0.00 178.83 176.77 1s20 h LEU 8 N 0.20 -0.84 -1.16 -2.39 3.38 -1.18 -1.66 115.31 111.66 1s20 h LEU 8 Ca 0.07 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.17 1s20 h LEU 8 Cb 0.08 0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 1s20 h LEU 8 CO -0.01 -0.45 0.58 0.50 0.09 0.00 0.00 178.44 179.15 1s20 h LYS 9 N -0.67 0.98 0.16 1.13 3.64 -1.31 -1.77 116.57 118.74 1s20 h LYS 9 Ca -0.02 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1s20 h LYS 9 Cb 0.60 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1s20 h LYS 9 CO -0.05 0.65 -0.29 0.00 -2.27 0.00 0.00 179.45 177.49 1s20 h ALA 10 N 1.51 -0.52 0.18 5.00 0.00 -0.10 0.88 119.26 126.21 1s20 h ALA 10 Ca 0.38 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.25 1s20 h ALA 10 Cb 0.20 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1s20 h ALA 10 CO -0.14 -0.84 -0.33 0.00 0.00 0.00 0.00 179.25 177.93 1s20 h ALA 11 N 0.14 -0.61 -1.00 0.00 0.00 -0.81 -1.87 119.26 115.10 1s20 h ALA 11 Ca 0.02 -0.07 0.20 0.00 0.00 0.00 0.00 54.91 55.06 1s20 h ALA 11 Cb 0.54 0.53 -0.11 0.00 0.00 0.00 0.00 17.79 18.75 1s20 h ALA 11 CO -0.14 -0.90 0.61 0.74 0.00 0.00 0.00 179.25 179.56 1s20 h PHE 12 N -0.60 1.05 0.64 0.00 0.05 -1.12 -1.50 116.94 115.46 1s20 h PHE 12 Ca 0.02 0.03 -0.03 0.00 3.82 0.00 0.00 57.97 61.81 1s20 h PHE 12 Cb 0.60 -0.31 0.01 0.00 2.00 0.00 0.00 35.95 38.24 1s20 h PHE 12 CO -0.27 0.22 -0.31 -0.97 -0.18 0.00 0.00 178.31 176.80 1s20 h ASN 13 N 0.73 -0.73 -0.95 2.17 -0.73 -0.18 -2.54 115.58 113.35 1s20 h ASN 13 Ca 0.58 0.03 0.08 0.00 1.87 0.00 0.00 56.30 58.86 1s20 h ASN 13 Cb 0.95 0.19 -0.07 0.00 0.27 0.00 0.00 38.32 39.65 1s20 h ASN 13 CO -0.38 -0.42 0.60 0.08 -0.37 0.00 0.00 177.43 176.94 1s20 h ARG 14 N -1.07 1.02 -0.45 6.67 0.11 -1.16 0.11 114.38 119.62 1s20 h ARG 14 Ca -0.09 -0.06 0.03 0.00 0.10 0.00 0.00 59.98 59.96 1s20 h ARG 14 Cb 0.66 -0.23 -0.04 0.00 1.11 0.00 0.00 29.97 31.48 1s20 h ARG 14 CO 0.15 0.68 0.24 0.28 0.10 0.00 0.00 179.97 181.41 1s20 h VAL 15 N 1.05 0.99 -0.26 0.08 2.07 -1.33 -0.54 116.25 118.32 1s20 h VAL 15 Ca 0.43 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.75 1s20 h VAL 15 Cb 0.25 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1s20 h VAL 15 CO -0.20 0.09 0.01 -0.07 0.02 0.00 0.00 177.57 177.41 1s20 h LEU 16 N 0.47 0.44 -0.50 2.57 3.38 -0.90 -3.07 115.31 117.71 1s20 h LEU 16 Ca 0.19 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.90 1s20 h LEU 16 Cb 0.07 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1s20 h LEU 16 CO -0.12 0.64 0.26 0.40 0.09 0.00 0.00 178.44 179.70 1s20 h ILE 17 N 0.24 0.96 0.00 1.22 2.04 -0.72 0.34 117.51 121.59 1s20 h ILE 17 Ca 0.07 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1s20 h ILE 17 Cb 0.41 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1s20 h ILE 17 CO 0.01 0.09 0.00 -1.54 0.00 0.00 0.00 178.15 176.71 1s20 n SER 18 N -4.88 0.00 -1.47 1.72 3.41 -0.24 -2.33 113.62 109.83 1s20 n SER 18 Ca 0.04 0.05 -0.11 0.00 -0.26 0.00 0.00 58.87 58.60 1s20 n SER 18 Cb 0.13 -0.25 0.17 0.00 -0.26 0.00 0.00 64.21 64.01 1s20 n SER 18 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1s20 n ARG 19 N -1.25 2.09 -2.32 4.33 3.00 0.08 -4.93 116.66 117.66 1s20 n ARG 19 Ca 0.06 -3.26 -0.10 0.00 -0.01 0.00 0.00 57.85 54.54 1s20 n ARG 19 Cb 0.09 -1.94 0.00 0.00 0.00 0.00 0.00 32.46 30.61 1s20 n ARG 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1s20 n GLY 20 N -1.08 0.00 3.36 -0.13 0.00 -0.98 -5.02 105.19 101.34 1s20 n GLY 20 Ca 0.40 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 1s20 n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s20 s VAL 21 N -2.60 3.73 0.26 1.61 1.01 -1.05 -4.85 120.40 118.51 1s20 s VAL 21 Ca 0.04 -0.37 -0.31 0.00 0.00 0.00 0.00 61.98 61.35 1s20 s VAL 21 Cb -0.02 -2.72 -0.13 0.00 0.00 0.00 0.00 36.38 33.52 1s20 s VAL 21 CO 0.05 0.39 1.46 -0.90 0.00 0.00 0.00 175.10 176.11 1s20 n ASP 22 N 4.83 3.07 -0.36 3.32 5.75 -1.26 -4.11 116.55 127.78 1s20 n ASP 22 Ca -0.17 1.14 0.06 0.00 -0.01 0.00 0.00 54.79 55.81 1s20 n ASP 22 Cb 0.51 -1.48 0.15 0.00 -1.03 0.00 0.00 41.12 39.27 1s20 n ASP 22 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1s20 h SER 23 N 4.37 -0.90 0.29 -1.12 4.64 -1.97 0.28 113.55 119.14 1s20 h SER 23 Ca -0.46 0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1s20 h SER 23 Cb 1.26 0.61 -0.04 0.00 -0.31 0.00 0.00 62.40 63.92 1s20 h SER 23 CO 0.77 -0.33 -0.52 -0.08 -0.87 0.00 0.00 176.83 175.80 1s20 h GLU 24 N 0.00 -0.84 -0.52 4.77 4.81 -1.99 0.50 114.58 121.31 1s20 h GLU 24 Ca 0.49 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 1s20 h GLU 24 Cb 0.76 0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.30 1s20 h GLU 24 CO -1.02 -0.56 0.33 1.15 -0.73 0.00 0.00 179.01 178.18 1s20 h THR 25 N -0.87 1.14 -0.20 0.32 2.02 -1.62 -1.21 112.91 112.50 1s20 h THR 25 Ca -0.03 -0.29 0.05 0.00 0.77 0.00 0.00 66.41 66.91 1s20 h THR 25 Cb 0.81 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 1s20 h THR 25 CO -0.19 0.14 -0.09 0.00 0.37 0.00 0.00 175.52 175.75 1s20 h ALA 26 N 1.18 0.08 0.08 6.16 0.00 -0.05 0.12 119.26 126.82 1s20 h ALA 26 Ca 0.19 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1s20 h ALA 26 Cb -0.05 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1s20 h ALA 26 CO -0.04 -0.52 -0.12 0.22 0.00 0.00 0.00 179.25 178.80 1s20 h ASP 27 N -0.07 -0.31 -0.09 0.00 3.58 0.30 0.38 116.42 120.21 1s20 h ASP 27 Ca 0.11 0.04 0.04 0.00 0.42 0.00 0.00 57.03 57.63 1s20 h ASP 27 Cb 0.23 0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.36 1s20 h ASP 27 CO -0.25 -0.17 -0.18 0.00 -2.88 0.00 0.00 179.24 175.76 1s20 h ALA 28 N 0.66 -0.14 -0.69 -0.78 0.00 -0.85 0.22 119.26 117.66 1s20 h ALA 28 Ca 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1s20 h ALA 28 Cb 0.25 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1s20 h ALA 28 CO -0.06 -0.64 0.39 0.00 0.00 0.00 0.00 179.25 178.94 1s20 h ALA 30 N 1.20 1.23 0.00 0.00 0.00 0.24 -2.64 119.26 119.29 1s20 h ALA 30 Ca 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1s20 h ALA 30 Cb 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1s20 h ALA 30 CO -0.04 0.55 0.00 -1.91 0.00 0.00 0.00 179.25 177.85 1s20 n GLU 31 N -4.30 0.00 0.00 0.00 4.07 0.71 -1.77 120.64 119.35 1s20 n GLU 31 Ca 0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 1s20 n GLU 31 Cb 0.19 -0.93 0.00 0.00 -0.06 0.00 0.00 31.44 30.64 1s20 n GLU 31 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1s20 n PHE 33 N 0.32 0.00 0.03 4.31 3.01 -0.99 -0.82 117.46 123.32 1s20 n PHE 33 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.35 1s20 n PHE 33 Cb 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.48 1s20 n PHE 33 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1s20 h ALA 34 N 0.00 0.55 -0.24 4.37 0.00 -1.64 -3.01 119.26 119.29 1s20 h ALA 34 Ca 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 1s20 h ALA 34 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1s20 h ALA 34 CO 0.00 0.74 -0.06 0.00 0.00 0.00 0.00 179.25 179.93 1s20 h ARG 35 N 0.35 0.46 -0.77 0.00 2.47 -1.24 -2.17 114.38 113.48 1s20 h ARG 35 Ca -0.03 -0.18 0.04 0.00 -1.26 0.00 0.00 59.98 58.55 1s20 h ARG 35 Cb 1.30 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 29.55 1s20 h ARG 35 CO 0.13 0.69 0.50 1.79 0.56 0.00 0.00 179.97 183.64 1s20 h THR 36 N 0.20 1.10 0.25 2.04 1.35 -1.81 -2.14 112.91 113.90 1s20 h THR 36 Ca 0.06 -0.31 -0.01 0.00 -0.55 0.00 0.00 66.41 65.59 1s20 h THR 36 Cb 0.52 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.05 1s20 h THR 36 CO 0.02 0.17 -0.12 0.74 -0.25 0.00 0.00 175.52 176.08 1s20 h THR 37 N 0.92 0.79 -0.22 6.82 2.02 -1.43 -2.19 112.91 119.62 1s20 h THR 37 Ca 0.31 -0.64 0.06 0.00 0.77 0.00 0.00 66.41 66.92 1s20 h THR 37 Cb 0.09 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1s20 h THR 37 CO -0.09 0.13 0.27 -0.08 0.37 0.00 0.00 175.52 176.11 1s20 h GLU 38 N -0.69 0.00 0.00 6.66 4.81 -1.10 0.17 114.58 124.43 1s20 h GLU 38 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1s20 h GLU 38 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1s20 h GLU 38 CO 0.06 0.00 -0.05 0.43 -0.73 0.00 0.00 179.01 178.72 1s20 n SER 39 N -3.68 0.35 0.00 1.04 7.64 -0.83 -4.24 113.62 113.90 1s20 n SER 39 Ca 0.03 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1s20 n SER 39 Cb 0.39 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 1s20 n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s20 n GLY 40 N 1.42 0.73 2.91 0.23 0.00 0.58 -4.15 105.19 106.91 1s20 n GLY 40 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1s20 n GLY 40 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1s20 n VAL 41 N -1.06 5.29 -0.18 1.61 0.31 -0.83 -4.77 118.33 118.70 1s20 n VAL 41 Ca 0.00 -5.63 -0.06 0.00 -0.01 0.00 0.00 64.34 58.64 1s20 n VAL 41 Cb 0.00 -2.05 0.11 0.00 -0.91 0.00 0.00 33.84 31.00 1s20 n VAL 41 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1s20 h TYR 42 N 5.27 1.01 -0.66 3.52 -1.99 -1.79 -1.51 116.97 120.82 1s20 h TYR 42 Ca 0.30 -0.13 0.14 0.00 2.00 0.00 0.00 58.73 61.04 1s20 h TYR 42 Cb 0.56 -0.28 -0.12 0.00 2.00 0.00 0.00 36.73 38.89 1s20 h TYR 42 CO 1.13 0.86 -0.13 0.66 -0.00 0.00 0.00 178.16 180.68 1s20 h SER 43 N 0.90 -0.55 -0.54 3.88 4.64 -1.96 0.15 113.55 120.07 1s20 h SER 43 Ca 0.18 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1s20 h SER 43 Cb 0.40 0.39 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1s20 h SER 43 CO 0.01 -0.20 0.00 1.41 -0.87 0.00 0.00 176.83 177.18 1s20 n HIS 44 N -5.42 1.20 0.00 4.77 8.25 -1.18 -3.28 115.22 119.56 1s20 n HIS 44 Ca 0.09 -0.63 0.00 0.00 -0.26 0.00 0.00 57.72 56.92 1s20 n HIS 44 Cb 0.35 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.26 1s20 n HIS 44 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s20 n GLY 45 N 0.80 0.67 0.32 -1.41 0.00 -0.06 -4.47 105.19 101.04 1s20 n GLY 45 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 1s20 n GLY 45 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1s20 h VAL 46 N 0.00 1.20 0.00 1.61 3.04 -1.72 -2.69 116.25 117.69 1s20 h VAL 46 Ca 0.00 -0.57 -0.02 0.00 -1.01 0.00 0.00 66.70 65.10 1s20 h VAL 46 Cb 0.00 0.46 -0.00 0.00 -2.01 0.00 0.00 31.29 29.73 1s20 h VAL 46 CO 0.00 0.24 -0.10 0.78 -1.01 0.00 0.00 177.57 177.47 1s20 h ASN 47 N 0.83 0.00 0.14 3.17 4.21 -1.51 -2.68 115.58 119.74 1s20 h ASN 47 Ca 0.21 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.72 1s20 h ASN 47 Cb 0.11 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.31 1s20 h ASN 47 CO -0.03 0.10 -0.54 -1.14 -1.29 0.00 0.00 177.43 174.54 1s20 n ARG 48 N -3.98 0.64 -0.10 0.81 3.00 -1.02 -4.43 116.66 111.58 1s20 n ARG 48 Ca -0.02 -0.47 -0.06 0.00 -0.00 0.00 0.00 57.85 57.30 1s20 n ARG 48 Cb 0.19 -1.49 0.01 0.00 0.00 0.00 0.00 32.46 31.17 1s20 n ARG 48 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 1s20 h PHE 49 N 1.15 0.06 -0.36 -0.14 3.57 -1.39 -1.02 116.94 118.81 1s20 h PHE 49 Ca 0.00 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.59 1s20 h PHE 49 Cb 0.59 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.30 1s20 h PHE 49 CO 0.00 -0.02 0.01 -1.35 -2.23 0.00 0.00 178.31 174.72 1s20 h PRO 50 N 0.15 0.11 -0.12 6.41 0.11 -1.77 -0.74 132.00 136.14 1s20 h PRO 50 Ca 0.16 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.18 1s20 h PRO 50 Cb 0.20 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 1s20 h PRO 50 CO -0.24 0.07 -0.31 -0.09 -0.21 0.00 0.00 178.00 177.22 1s20 h ARG 51 N 0.11 0.23 -0.68 1.05 1.12 -1.78 -2.52 114.38 111.91 1s20 h ARG 51 Ca 0.18 -0.09 -0.05 0.00 -1.11 0.00 0.00 59.98 58.91 1s20 h ARG 51 Cb 0.24 -0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.16 1s20 h ARG 51 CO -0.29 0.53 0.21 0.35 -3.11 0.00 0.00 179.97 177.66 1s20 h PHE 52 N 0.21 1.06 -0.04 2.20 3.57 -0.24 -2.88 116.94 120.83 1s20 h PHE 52 Ca 0.03 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1s20 h PHE 52 Cb 0.66 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 1s20 h PHE 52 CO 0.01 0.85 -0.00 0.82 -2.23 0.00 0.00 178.31 177.76 1s20 h ILE 53 N 1.00 1.25 -0.96 1.41 1.08 -0.75 -2.71 117.51 117.83 1s20 h ILE 53 Ca 0.22 -0.76 0.07 0.00 -0.39 0.00 0.00 64.86 64.00 1s20 h ILE 53 Cb 0.28 1.70 -0.06 0.00 -3.07 0.00 0.00 36.82 35.66 1s20 h ILE 53 CO -0.01 0.20 0.62 0.06 -0.69 0.00 0.00 178.15 178.34 1s20 h GLN 54 N -0.24 1.07 -0.04 2.37 3.07 -1.45 -0.05 115.11 119.83 1s20 h GLN 54 Ca 0.01 -0.06 -0.07 0.00 0.09 0.00 0.00 58.65 58.61 1s20 h GLN 54 Cb 0.33 -0.24 -0.01 0.00 0.08 0.00 0.00 27.48 27.64 1s20 h GLN 54 CO 0.00 0.71 -0.31 1.96 0.09 0.00 0.00 178.83 181.28 1s20 h GLN 55 N 1.10 0.07 -0.20 0.06 4.20 -1.47 -0.68 115.11 118.20 1s20 h GLN 55 Ca 0.42 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 59.07 1s20 h GLN 55 Cb 0.20 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1s20 h GLN 55 CO -0.17 0.38 -0.02 1.25 -0.67 0.00 0.00 178.83 179.61 1s20 h LEU 56 N 0.07 0.36 -1.36 1.46 5.85 -0.72 -1.82 115.31 119.15 1s20 h LEU 56 Ca 0.01 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.35 1s20 h LEU 56 Cb 0.59 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1s20 h LEU 56 CO 0.04 0.60 -0.13 -0.33 -0.34 0.00 0.00 178.44 178.29 1s20 h GLU 57 N 0.11 0.26 0.00 1.25 5.08 -0.83 -1.63 114.58 118.82 1s20 h GLU 57 Ca 0.05 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1s20 h GLU 57 Cb 0.43 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1s20 h GLU 57 CO 0.01 0.40 0.00 0.09 -1.00 0.00 0.00 179.01 178.52 1s20 n ASN 58 N -4.26 0.00 0.00 1.42 3.02 -0.30 -4.86 115.26 110.28 1s20 n ASN 58 Ca -0.01 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 1s20 n ASN 58 Cb 0.28 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 1s20 n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s20 n GLY 59 N 0.29 0.77 0.22 7.41 0.00 -0.61 -4.91 105.19 108.36 1s20 n GLY 59 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.12 1s20 n GLY 59 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1s20 h ASP 60 N 0.00 0.07 -3.84 1.61 3.32 -1.53 -3.42 116.42 112.63 1s20 h ASP 60 Ca 0.00 -0.02 -0.68 0.00 0.02 0.00 0.00 57.03 56.35 1s20 h ASP 60 Cb 0.00 -0.02 -0.20 0.00 0.22 0.00 0.00 39.33 39.33 1s20 h ASP 60 CO 0.00 0.32 -0.77 -0.63 -1.72 0.00 0.00 179.24 176.44 1s20 s ILE 61 N -4.50 3.11 -0.38 0.35 1.01 -1.23 -4.82 121.20 114.74 1s20 s ILE 61 Ca -0.04 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 59.61 1s20 s ILE 61 Cb 0.15 -2.33 0.11 0.00 0.01 0.00 0.00 42.46 40.41 1s20 s ILE 61 CO 0.72 0.36 0.14 -0.63 0.00 0.00 0.00 174.94 175.53 1s20 s ILE 62 N -0.95 1.72 0.53 2.92 1.01 0.31 -4.83 121.20 121.90 1s20 s ILE 62 Ca 0.15 -2.26 0.26 0.00 0.00 0.00 0.00 60.65 58.80 1s20 s ILE 62 Cb -0.11 -2.25 0.41 0.00 0.01 0.00 0.00 42.46 40.53 1s20 s ILE 62 CO 0.06 -0.72 1.97 1.55 0.00 0.00 0.00 174.94 177.80 1s20 h PRO 63 N 7.38 0.03 -0.00 2.79 0.13 -1.90 0.34 132.00 140.76 1s20 h PRO 63 Ca -0.07 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1s20 h PRO 63 Cb 0.98 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1s20 h PRO 63 CO 0.52 0.02 -0.16 -0.25 -0.23 0.00 0.00 178.00 177.90 1s20 n ASP 64 N -4.37 0.26 -4.82 1.44 10.43 -1.26 -4.86 116.55 113.37 1s20 n ASP 64 Ca 0.11 -0.02 -0.33 0.00 2.57 0.00 0.00 54.79 57.12 1s20 n ASP 64 Cb 0.66 -0.18 -0.05 0.00 1.84 0.00 0.00 41.12 43.39 1s20 n ASP 64 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1s20 s ALA 65 N -2.83 2.99 0.02 2.24 0.00 0.11 -5.08 121.76 119.21 1s20 s ALA 65 Ca 0.18 0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.58 1s20 s ALA 65 Cb 0.19 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 20.12 1s20 s ALA 65 CO 0.56 -0.06 -0.05 -0.65 0.00 0.00 0.00 175.76 175.56 1s20 s GLN 66 N -3.33 0.36 0.87 0.00 -1.52 -1.26 -4.66 119.66 110.12 1s20 s GLN 66 Ca 0.63 -0.58 -0.13 0.00 -1.95 0.00 0.00 55.36 53.33 1s20 s GLN 66 Cb -0.11 -0.07 0.05 0.00 -0.22 0.00 0.00 33.01 32.65 1s20 s GLN 66 CO 0.18 -0.00 0.73 -2.30 -0.25 0.00 0.00 175.29 173.64 1s20 n PRO 67 N 1.77 -0.08 -3.73 2.91 -0.02 -1.25 -4.71 135.00 129.88 1s20 n PRO 67 Ca -0.22 0.03 -0.12 0.00 -2.02 0.00 0.00 63.50 61.18 1s20 n PRO 67 Cb 0.56 -2.06 -0.12 0.00 -0.02 0.00 0.00 33.50 31.85 1s20 n PRO 67 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1s20 s LYS 68 N -3.71 0.27 0.06 -0.52 2.36 -0.31 -4.97 119.74 112.92 1s20 s LYS 68 Ca 0.64 0.55 -0.30 0.00 -2.55 0.00 0.00 55.97 54.31 1s20 s LYS 68 Cb -0.26 -0.05 -0.05 0.00 -1.05 0.00 0.00 37.83 36.43 1s20 s LYS 68 CO 0.60 -0.14 0.98 0.50 1.55 0.00 0.00 175.35 178.85 1s20 s ARG 69 N 1.06 4.62 -0.26 4.03 3.52 -1.26 -0.45 118.95 130.22 1s20 s ARG 69 Ca -0.07 1.45 -0.11 0.00 -0.13 0.00 0.00 55.73 56.87 1s20 s ARG 69 Cb -0.08 -3.41 -0.12 0.00 -1.56 0.00 0.00 34.95 29.78 1s20 s ARG 69 CO -0.08 0.07 -0.32 -0.89 -0.81 0.00 0.00 175.30 173.28 1s20 n ILE 70 N 3.32 1.41 -4.03 4.11 2.08 0.36 -4.93 119.36 121.69 1s20 n ILE 70 Ca 0.04 -0.39 -0.08 0.00 0.56 0.00 0.00 62.75 62.89 1s20 n ILE 70 Cb 0.50 -1.78 -0.10 0.00 -0.75 0.00 0.00 39.64 37.50 1s20 n ILE 70 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 1s20 s THR 71 N -2.47 0.17 -0.06 1.39 2.01 -1.01 -5.01 115.64 110.66 1s20 s THR 71 Ca -0.36 -1.37 -0.02 0.00 0.31 0.00 0.00 61.69 60.25 1s20 s THR 71 Cb 0.13 -0.95 0.03 0.00 0.01 0.00 0.00 72.50 71.72 1s20 s THR 71 CO 0.47 -0.76 0.04 -0.55 -0.69 0.00 0.00 174.62 173.13 1s20 s SER 72 N -2.25 1.35 0.00 3.53 0.15 -1.26 -1.81 113.70 113.40 1s20 s SER 72 Ca -0.03 0.00 0.13 0.00 0.70 0.00 0.00 55.95 56.74 1s20 s SER 72 Cb -0.00 -0.27 0.27 0.00 -1.71 0.00 0.00 66.02 64.31 1s20 s SER 72 CO -0.06 -0.23 1.17 0.18 1.20 0.00 0.00 173.24 175.50 1s20 n LEU 73 N 5.23 2.74 0.00 3.45 4.77 -0.86 -5.05 117.00 127.29 1s20 n LEU 73 Ca -0.05 -1.66 0.00 0.00 -0.03 0.00 0.00 56.01 54.27 1s20 n LEU 73 Cb 0.50 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1s20 n LEU 73 CO 0.08 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1s20 n GLY 74 N 0.70 1.57 0.17 -0.72 0.00 -1.26 -4.66 105.19 100.98 1s20 n GLY 74 Ca 0.11 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.53 1s20 n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s20 h ALA 75 N 0.00 0.90 -3.42 4.61 0.00 -1.92 -3.45 119.26 115.98 1s20 h ALA 75 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 1s20 h ALA 75 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.65 1s20 h ALA 75 CO 0.00 0.00 -0.67 -1.50 0.00 0.00 0.00 179.25 177.08 1s20 s ILE 76 N -3.21 3.93 -0.08 0.00 2.07 -1.26 -1.89 121.20 120.76 1s20 s ILE 76 Ca 0.07 -0.88 -0.04 0.00 -1.41 0.00 0.00 60.65 58.39 1s20 s ILE 76 Cb 0.08 -2.81 0.04 0.00 0.13 0.00 0.00 42.46 39.90 1s20 s ILE 76 CO 0.67 0.23 0.19 -1.61 -1.91 0.00 0.00 174.94 172.52 1s20 s GLU 77 N -1.95 0.15 -0.22 3.50 2.02 -0.14 -2.03 118.70 120.03 1s20 s GLU 77 Ca 0.22 0.44 -0.10 0.00 0.02 0.00 0.00 54.97 55.54 1s20 s GLU 77 Cb -0.11 -0.13 -0.05 0.00 0.10 0.00 0.00 34.13 33.93 1s20 s GLU 77 CO 0.14 -0.15 0.15 -1.14 0.02 0.00 0.00 175.26 174.28 1s20 s GLN 78 N 1.13 4.14 0.39 1.61 0.74 -0.75 -0.82 119.66 126.10 1s20 s GLN 78 Ca -0.09 -0.23 0.05 0.00 0.05 0.00 0.00 55.36 55.15 1s20 s GLN 78 Cb -0.10 -3.48 -0.06 0.00 1.10 0.00 0.00 33.01 30.47 1s20 s GLN 78 CO -0.07 0.18 0.03 -1.58 -0.55 0.00 0.00 175.29 173.31 1s20 s TRP 79 N 0.70 2.21 -0.17 1.67 0.52 0.64 -0.48 118.94 124.02 1s20 s TRP 79 Ca 0.08 -0.84 -0.02 0.00 0.02 0.00 0.00 56.10 55.35 1s20 s TRP 79 Cb -0.12 -1.55 0.05 0.00 -1.15 0.00 0.00 33.47 30.70 1s20 s TRP 79 CO 0.01 0.22 -0.00 0.34 0.02 0.00 0.00 176.95 177.54 1s20 s ASP 80 N -3.64 2.74 0.37 2.95 3.68 0.41 -2.67 116.67 120.51 1s20 s ASP 80 Ca 0.32 -0.68 0.12 0.00 2.13 0.00 0.00 52.55 54.43 1s20 s ASP 80 Cb 0.08 -0.71 0.72 0.00 -1.45 0.00 0.00 42.92 41.56 1s20 s ASP 80 CO 0.15 -0.24 1.84 0.00 0.13 0.00 0.00 175.17 177.05 1s20 h ALA 81 N 8.20 1.40 -5.63 3.66 0.00 -1.45 -0.80 119.26 124.64 1s20 h ALA 81 Ca -0.19 -0.31 -0.34 0.00 0.00 0.00 0.00 54.91 54.07 1s20 h ALA 81 Cb 1.11 -0.06 0.16 0.00 0.00 0.00 0.00 17.79 19.00 1s20 h ALA 81 CO 0.35 0.44 -0.74 1.04 0.00 0.00 0.00 179.25 180.34 1s20 n GLN 82 N -4.14 -6.82 -1.96 0.00 6.02 -1.24 -2.54 117.38 106.71 1s20 n GLN 82 Ca -0.02 0.83 -0.18 0.00 -0.01 0.00 0.00 57.00 57.62 1s20 n GLN 82 Cb 0.38 -5.82 -0.04 0.00 1.02 0.00 0.00 30.24 25.78 1s20 n GLN 82 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1s20 n ARG 83 N -4.27 -1.63 -1.29 -1.09 5.12 -0.10 -4.74 116.66 108.66 1s20 n ARG 83 Ca -0.22 0.97 -0.29 0.00 -1.93 0.00 0.00 57.85 56.37 1s20 n ARG 83 Cb 0.64 -5.45 0.20 0.00 -1.16 0.00 0.00 32.46 26.69 1s20 n ARG 83 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1s20 s SER 84 N -2.29 2.09 0.31 0.55 1.04 -1.05 -0.53 113.70 113.83 1s20 s SER 84 Ca 0.00 0.79 -0.30 0.00 0.48 0.00 0.00 55.95 56.93 1s20 s SER 84 Cb 0.00 -1.19 -0.12 0.00 0.10 0.00 0.00 66.02 64.81 1s20 s SER 84 CO 0.00 -3.41 1.53 -0.38 0.98 0.00 0.00 173.24 171.95 1s20 n ILE 85 N -4.31 1.29 0.36 -1.02 2.08 -1.26 -4.17 119.36 112.33 1s20 n ILE 85 Ca 0.10 -0.32 -0.16 0.00 0.56 0.00 0.00 62.75 62.93 1s20 n ILE 85 Cb 0.59 -1.87 -0.08 0.00 -0.75 0.00 0.00 39.64 37.53 1s20 n ILE 85 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1s20 h GLY 86 N 4.15 -1.13 0.92 7.39 0.00 -1.80 -2.53 103.07 110.08 1s20 h GLY 86 Ca -0.47 0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1s20 h GLY 86 CO 0.74 -0.39 0.12 3.45 0.00 0.00 0.00 176.54 180.47 1s20 h ASN 87 N -0.97 0.50 0.02 0.19 -1.07 -1.76 -1.78 115.58 110.70 1s20 h ASN 87 Ca -0.09 -0.19 0.01 0.00 0.07 0.00 0.00 56.30 56.11 1s20 h ASN 87 Cb 0.78 -0.13 -0.02 0.00 -2.07 0.00 0.00 38.32 36.88 1s20 h ASN 87 CO 0.10 0.55 -0.10 -0.07 0.07 0.00 0.00 177.43 177.98 1s20 h LEU 88 N 0.42 -0.29 -0.96 6.14 4.07 -1.95 -0.62 115.31 122.12 1s20 h LEU 88 Ca 0.11 0.04 -0.09 0.00 0.08 0.00 0.00 57.88 58.03 1s20 h LEU 88 Cb 0.22 0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 1s20 h LEU 88 CO -0.01 -0.15 -0.19 0.74 -1.08 0.00 0.00 178.44 177.76 1s20 h THR 89 N -0.18 1.25 -0.23 0.22 2.02 -1.46 -2.48 112.91 112.05 1s20 h THR 89 Ca 0.03 -1.18 -0.06 0.00 0.77 0.00 0.00 66.41 65.98 1s20 h THR 89 Cb 0.22 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1s20 h THR 89 CO -0.09 0.38 -0.08 0.00 0.37 0.00 0.00 175.52 176.10 1s20 h ALA 90 N 1.31 0.32 -0.97 6.16 0.00 -1.12 -2.96 119.26 122.01 1s20 h ALA 90 Ca 0.08 -0.28 0.09 0.00 0.00 0.00 0.00 54.91 54.79 1s20 h ALA 90 Cb 0.60 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 1s20 h ALA 90 CO 0.04 0.14 0.61 -0.22 0.00 0.00 0.00 179.25 179.83 1s20 h LYS 91 N 0.19 1.03 -5.24 0.00 3.11 -0.96 -3.41 116.57 111.29 1s20 h LYS 91 Ca 0.06 -0.06 -0.36 0.00 -2.81 0.00 0.00 60.65 57.47 1s20 h LYS 91 Cb 0.56 -0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 31.54 1s20 h LYS 91 CO 0.03 0.68 1.18 1.63 -2.81 0.00 0.00 179.45 180.16 1s20 n LYS 92 N -4.58 1.36 0.00 1.90 5.02 -0.95 -4.71 118.16 116.21 1s20 n LYS 92 Ca 0.16 -2.23 0.00 0.00 -2.02 0.00 0.00 58.31 54.22 1s20 n LYS 92 Cb 0.25 -3.57 0.00 0.00 -0.02 0.00 0.00 35.03 31.68 1s20 n LYS 92 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1s20 n ASP 95 N 13.65 0.00 -0.11 4.39 10.43 -1.26 -4.67 116.55 138.98 1s20 n ASP 95 Ca 0.45 0.00 -0.11 0.00 2.57 0.00 0.00 54.79 57.70 1s20 n ASP 95 Cb 0.45 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.38 1s20 n ASP 95 CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 1s20 h ARG 96 N 0.00 0.59 -0.29 -1.24 9.65 -1.94 -1.72 114.38 119.43 1s20 h ARG 96 Ca 0.00 -0.21 0.00 0.00 -1.10 0.00 0.00 59.98 58.67 1s20 h ARG 96 Cb 0.00 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.53 1s20 h ARG 96 CO 0.00 0.76 0.19 0.00 2.80 0.00 0.00 179.97 183.72 1s20 h ALA 97 N 0.81 1.80 -0.41 2.80 0.00 -1.90 0.34 119.26 122.70 1s20 h ALA 97 Ca 0.08 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1s20 h ALA 97 Cb 0.53 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1s20 h ALA 97 CO 0.03 0.18 -0.34 0.82 0.00 0.00 0.00 179.25 179.94 1s20 h ILE 98 N 0.38 1.27 -0.29 0.00 2.04 -1.80 0.10 117.51 119.22 1s20 h ILE 98 Ca 0.11 -1.51 -0.02 0.00 1.00 0.00 0.00 64.86 64.43 1s20 h ILE 98 Cb -0.04 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1s20 h ILE 98 CO -0.02 0.51 0.09 -0.33 0.00 0.00 0.00 178.15 178.39 1s20 h GLU 99 N 0.78 0.45 -0.74 2.37 5.08 -0.31 0.20 114.58 122.42 1s20 h GLU 99 Ca 0.07 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1s20 h GLU 99 Cb 0.93 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 1s20 h GLU 99 CO 0.09 0.51 0.29 -0.07 -1.00 0.00 0.00 179.01 178.83 1s20 h LEU 100 N 0.30 1.01 -1.16 1.33 3.38 -0.88 -2.06 115.31 117.23 1s20 h LEU 100 Ca 0.09 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1s20 h LEU 100 Cb 0.25 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1s20 h LEU 100 CO -0.00 0.90 -0.39 0.00 0.09 0.00 0.00 178.44 179.03 1s20 h ALA 101 N 1.25 1.20 -0.14 1.53 0.00 -0.38 -0.25 119.26 122.48 1s20 h ALA 101 Ca 0.25 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1s20 h ALA 101 Cb 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1s20 h ALA 101 CO -0.02 0.49 -0.29 0.00 0.00 0.00 0.00 179.25 179.43 1s20 h ALA 102 N 1.61 1.27 -0.01 0.00 0.00 0.11 0.38 119.26 122.61 1s20 h ALA 102 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1s20 h ALA 102 Cb 0.76 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1s20 h ALA 102 CO 0.05 0.50 -0.35 -0.25 0.00 0.00 0.00 179.25 179.19 1s20 n ASP 103 N -4.13 1.44 0.00 0.00 8.00 -1.09 -4.54 116.55 116.23 1s20 n ASP 103 Ca -0.01 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.27 1s20 n ASP 103 Cb 0.39 0.53 0.00 0.00 -0.02 0.00 0.00 41.12 42.02 1s20 n ASP 103 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1s20 n HIS 104 N -0.29 0.00 0.00 1.24 8.25 -0.12 -5.00 115.22 119.30 1s20 n HIS 104 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1s20 n HIS 104 Cb 0.30 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.41 1s20 n HIS 104 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s20 n GLY 105 N 0.82 2.89 3.40 -1.41 0.00 0.13 -4.93 105.19 106.10 1s20 n GLY 105 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1s20 n GLY 105 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1s20 s ILE 106 N -1.90 0.02 0.04 -0.61 2.07 -1.22 -0.83 121.20 118.76 1s20 s ILE 106 Ca 0.00 -0.15 -0.01 0.00 -1.41 0.00 0.00 60.65 59.08 1s20 s ILE 106 Cb 0.00 -0.78 -0.03 0.00 0.13 0.00 0.00 42.46 41.78 1s20 s ILE 106 CO 0.00 -0.08 -0.02 -0.83 -1.91 0.00 0.00 174.94 172.09 1s20 s GLY 107 N -0.71 0.35 -0.12 1.50 0.00 -0.22 -4.07 107.32 104.04 1s20 s GLY 107 Ca -0.08 -0.90 -0.08 0.00 0.00 0.00 0.00 44.72 43.66 1s20 s GLY 107 CO 0.05 -0.99 0.30 -2.27 0.00 0.00 0.00 173.10 170.18 1s20 s LEU 108 N -2.23 0.51 -0.13 0.66 0.20 -0.79 -1.79 118.68 115.10 1s20 s LEU 108 Ca -0.04 0.63 0.02 0.00 0.69 0.00 0.00 54.13 55.42 1s20 s LEU 108 Cb -0.00 0.97 0.02 0.00 -0.43 0.00 0.00 46.19 46.75 1s20 s LEU 108 CO -0.06 -0.14 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.00 1s20 s VAL 109 N 0.82 1.69 -0.27 1.68 1.01 0.37 -0.97 120.40 124.74 1s20 s VAL 109 Ca -0.05 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 1s20 s VAL 109 Cb -0.06 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1s20 s VAL 109 CO -0.06 0.48 0.16 0.00 0.00 0.00 0.00 175.10 175.68 1s20 s ALA 110 N 1.08 3.43 -0.18 5.51 0.00 -0.00 -1.31 121.76 130.28 1s20 s ALA 110 Ca -0.03 -1.09 -0.03 0.00 0.00 0.00 0.00 51.96 50.81 1s20 s ALA 110 Cb -0.14 -2.36 -0.01 0.00 0.00 0.00 0.00 23.12 20.60 1s20 s ALA 110 CO -0.05 -0.52 -0.07 -1.17 0.00 0.00 0.00 175.76 173.96 1s20 s LEU 111 N 1.69 2.91 0.39 0.00 0.20 0.24 -0.26 118.68 123.84 1s20 s LEU 111 Ca 0.07 -0.33 0.08 0.00 0.69 0.00 0.00 54.13 54.64 1s20 s LEU 111 Cb -0.16 -1.71 -0.05 0.00 -0.43 0.00 0.00 46.19 43.85 1s20 s LEU 111 CO 0.09 0.06 0.18 0.00 -0.29 0.00 0.00 176.35 176.40 1s20 s ARG 112 N 0.97 2.30 -1.13 1.98 1.70 -1.09 -0.87 118.95 122.81 1s20 s ARG 112 Ca -0.01 -1.71 -0.03 0.00 -0.47 0.00 0.00 55.73 53.51 1s20 s ARG 112 Cb -0.15 -2.08 0.02 0.00 -0.57 0.00 0.00 34.95 32.17 1s20 s ARG 112 CO 0.00 -0.05 0.16 0.09 -1.08 0.00 0.00 175.30 174.43 1s20 n ASN 113 N -1.23 -3.95 -4.94 -2.89 3.02 -1.06 -1.36 115.26 102.84 1s20 n ASN 113 Ca -0.01 0.02 -0.25 0.00 -0.03 0.00 0.00 54.58 54.32 1s20 n ASN 113 Cb 0.63 -3.32 0.03 0.00 -0.61 0.00 0.00 39.78 36.51 1s20 n ASN 113 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s20 s ALA 114 N -2.72 3.52 0.41 5.41 0.00 -0.15 -0.93 121.76 127.30 1s20 s ALA 114 Ca 0.12 -0.93 0.08 0.00 0.00 0.00 0.00 51.96 51.22 1s20 s ALA 114 Cb -0.06 -2.38 -0.02 0.00 0.00 0.00 0.00 23.12 20.66 1s20 s ALA 114 CO 0.15 -0.72 0.35 -0.80 0.00 0.00 0.00 175.76 174.74 1s20 s ASN 115 N -4.32 5.04 -0.03 0.00 0.01 -1.26 -0.48 114.94 113.90 1s20 s ASN 115 Ca 0.53 -0.73 -0.35 0.00 -0.71 0.00 0.00 52.86 51.60 1s20 s ASN 115 Cb -0.10 -0.62 -0.13 0.00 0.41 0.00 0.00 41.25 40.81 1s20 s ASN 115 CO 0.42 -0.61 1.76 1.57 -1.51 0.00 0.00 177.10 178.73 1s20 n HIS 116 N -1.51 2.24 0.00 2.20 -0.00 -1.26 -4.52 115.22 112.37 1s20 n HIS 116 Ca 0.03 0.16 0.00 0.00 0.46 0.00 0.00 57.72 58.36 1s20 n HIS 116 Cb 0.62 -2.59 0.00 0.00 -0.12 0.00 0.00 29.99 27.89 1s20 n HIS 116 CO 0.00 0.00 0.00 -2.67 0.46 0.00 0.00 176.34 174.13 1s20 n TRP 117 N 5.41 0.00 -0.07 1.57 2.14 -1.26 -4.00 117.44 121.23 1s20 n TRP 117 Ca 0.21 0.00 -0.03 0.00 2.07 0.00 0.00 57.50 59.75 1s20 n TRP 117 Cb 0.27 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 30.76 1s20 n TRP 117 CO 0.00 0.00 0.00 -2.13 2.07 0.00 0.00 177.69 177.63 1s20 n ARG 119 N 0.00 0.00 -0.24 -2.67 0.63 -1.26 -4.38 116.66 108.74 1s20 n ARG 119 Ca 0.00 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 1s20 n ARG 119 Cb 0.00 -0.07 0.05 0.00 0.45 0.00 0.00 32.46 32.88 1s20 n ARG 119 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1s20 h GLY 120 N 0.36 1.20 1.76 5.14 0.00 -1.99 -2.64 103.07 106.90 1s20 h GLY 120 Ca -0.01 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.53 1s20 h GLY 120 CO 0.05 0.74 0.10 -1.33 0.00 0.00 0.00 176.54 176.10 1s20 h GLY 121 N 1.06 0.00 1.02 4.60 0.00 -1.95 -1.97 103.07 105.83 1s20 h GLY 121 Ca 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.48 1s20 h GLY 121 CO 0.01 0.00 0.16 1.76 0.00 0.00 0.00 176.54 178.47 1s20 h SER 122 N 0.00 0.91 0.57 0.19 0.02 -1.86 -0.40 113.55 112.98 1s20 h SER 122 Ca 0.00 -0.23 -0.20 0.00 -0.84 0.00 0.00 61.79 60.52 1s20 h SER 122 Cb 0.20 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1s20 h SER 122 CO 0.00 0.90 -0.88 1.88 -1.14 0.00 0.00 176.83 177.59 1s20 h TYR 123 N 0.88 0.31 -0.07 3.45 0.05 -1.54 -1.51 116.97 118.53 1s20 h TYR 123 Ca 0.19 -0.17 -0.19 0.00 0.05 0.00 0.00 58.73 58.61 1s20 h TYR 123 Cb 0.34 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.04 1s20 h TYR 123 CO 0.02 0.98 -0.76 0.78 -1.05 0.00 0.00 178.16 178.14 1s20 h GLY 124 N 1.83 0.47 0.88 3.88 0.00 -1.52 -3.09 103.07 105.51 1s20 h GLY 124 Ca -0.05 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 46.55 1s20 h GLY 124 CO 0.14 0.61 0.01 -0.25 0.00 0.00 0.00 176.54 177.05 1s20 h TRP 125 N 0.28 0.55 0.00 5.60 2.91 -0.99 -1.29 115.95 123.02 1s20 h TRP 125 Ca -0.04 -0.09 -0.01 0.00 1.13 0.00 0.00 58.89 59.88 1s20 h TRP 125 Cb 1.35 -0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 29.85 1s20 h TRP 125 CO 0.05 0.64 -0.05 -0.56 -1.03 0.00 0.00 178.44 177.48 1s20 h GLN 126 N 0.30 0.00 0.01 2.65 3.07 -1.30 -0.44 115.11 119.40 1s20 h GLN 126 Ca 0.08 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.77 1s20 h GLN 126 Cb 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.97 1s20 h GLN 126 CO 0.01 0.05 -0.28 0.00 0.09 0.00 0.00 178.83 178.71 1s20 h ALA 127 N 1.95 0.03 -0.08 0.06 0.00 -1.39 -3.26 119.26 116.57 1s20 h ALA 127 Ca -0.00 -0.63 0.02 0.00 0.00 0.00 0.00 54.91 54.30 1s20 h ALA 127 Cb 0.25 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1s20 h ALA 127 CO 0.01 0.15 0.06 0.00 0.00 0.00 0.00 179.25 179.47 1s20 h ALA 128 N -0.06 2.01 0.00 0.00 0.00 -0.86 0.17 119.26 120.52 1s20 h ALA 128 Ca -0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1s20 h ALA 128 Cb 1.11 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1s20 h ALA 128 CO -0.02 -0.10 -0.08 0.93 0.00 0.00 0.00 179.25 179.99 1s20 h GLU 129 N 0.00 0.00 -0.59 0.00 5.08 -1.17 -2.40 114.58 115.50 1s20 h GLU 129 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1s20 h GLU 129 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1s20 h GLU 129 CO -0.00 0.08 0.00 1.63 -1.00 0.00 0.00 179.01 179.72 1s20 n LYS 130 N -3.28 3.82 -0.79 2.33 5.02 0.57 -4.92 118.16 120.90 1s20 n LYS 130 Ca -0.01 -2.89 0.00 0.00 -2.02 0.00 0.00 58.31 53.39 1s20 n LYS 130 Cb 0.28 -1.92 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 1s20 n LYS 130 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s20 n GLY 131 N 0.87 0.86 3.94 0.72 0.00 -0.90 -5.04 105.19 105.64 1s20 n GLY 131 Ca 0.25 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 1s20 n GLY 131 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s20 s TYR 132 N -3.41 3.48 0.20 1.61 1.51 -0.94 -4.25 117.35 115.56 1s20 s TYR 132 Ca 0.00 0.15 -0.27 0.00 -1.01 0.00 0.00 57.07 55.95 1s20 s TYR 132 Cb 0.00 -1.70 -0.08 0.00 -0.11 0.00 0.00 41.96 40.07 1s20 s TYR 132 CO 0.00 0.48 0.84 0.42 -1.11 0.00 0.00 175.55 176.18 1s20 s ILE 133 N -1.79 4.27 -0.07 2.71 1.01 -0.35 -2.80 121.20 124.18 1s20 s ILE 133 Ca 0.35 1.82 0.05 0.00 0.00 0.00 0.00 60.65 62.87 1s20 s ILE 133 Cb -0.11 -4.18 -0.00 0.00 0.01 0.00 0.00 42.46 38.18 1s20 s ILE 133 CO 0.29 0.48 -0.22 -0.83 0.00 0.00 0.00 174.94 174.66 1s20 s GLY 134 N -1.21 1.17 -0.06 6.18 0.00 -0.24 -1.40 107.32 111.76 1s20 s GLY 134 Ca 0.39 -0.88 -0.02 0.00 0.00 0.00 0.00 44.72 44.20 1s20 s GLY 134 CO 0.28 -0.43 0.11 -0.42 0.00 0.00 0.00 173.10 172.64 1s20 s ILE 135 N 0.08 -0.15 0.15 0.90 1.01 -0.16 -0.02 121.20 123.01 1s20 s ILE 135 Ca -0.08 0.34 -0.16 0.00 0.00 0.00 0.00 60.65 60.75 1s20 s ILE 135 Cb -0.14 -0.21 0.03 0.00 0.01 0.00 0.00 42.46 42.14 1s20 s ILE 135 CO 0.05 0.14 0.42 0.00 0.00 0.00 0.00 174.94 175.55 1s20 s TRP 137 N -3.84 -0.15 0.16 0.00 -2.14 -0.90 -0.33 118.94 111.74 1s20 s TRP 137 Ca 0.06 -0.21 -0.12 0.00 2.66 0.00 0.00 56.10 58.48 1s20 s TRP 137 Cb 0.01 0.67 0.01 0.00 -3.10 0.00 0.00 33.47 31.06 1s20 s TRP 137 CO -0.08 -0.99 0.37 -0.08 -2.66 0.00 0.00 176.95 173.51 1s20 s THR 138 N -3.53 0.06 0.10 0.66 -1.32 -1.23 -0.81 115.64 109.57 1s20 s THR 138 Ca 0.12 -1.09 0.01 0.00 -1.21 0.00 0.00 61.69 59.52 1s20 s THR 138 Cb -0.03 -1.65 0.01 0.00 -1.51 0.00 0.00 72.50 69.33 1s20 s THR 138 CO 0.04 -0.27 0.12 -0.46 -2.21 0.00 0.00 174.62 171.84 1s20 n ASN 139 N -0.24 0.49 -0.67 8.08 2.04 -0.79 -3.71 115.26 120.46 1s20 n ASN 139 Ca -0.10 -1.26 0.00 0.00 -0.44 0.00 0.00 54.58 52.78 1s20 n ASN 139 Cb 0.63 -0.06 0.00 0.00 -2.53 0.00 0.00 39.78 37.82 1s20 n ASN 139 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 1s20 n SER 140 N -2.75 0.00 -4.85 0.53 3.41 -1.26 -4.72 113.62 103.98 1s20 n SER 140 Ca 0.02 -0.67 -0.32 0.00 -0.26 0.00 0.00 58.87 57.64 1s20 n SER 140 Cb 0.10 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.04 1s20 n SER 140 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1s20 s ILE 141 N -2.75 4.48 -0.39 -1.33 -4.36 -1.26 -4.43 121.20 111.15 1s20 s ILE 141 Ca 0.00 1.03 -0.27 0.00 -0.26 0.00 0.00 60.65 61.14 1s20 s ILE 141 Cb 0.00 -3.71 -0.04 0.00 1.25 0.00 0.00 42.46 39.96 1s20 s ILE 141 CO 0.00 -0.84 2.08 0.00 0.24 0.00 0.00 174.94 176.42 1s20 s ALA 142 N -2.82 2.39 -0.21 2.27 0.00 -1.26 -4.31 121.76 117.81 1s20 s ALA 142 Ca 0.58 0.17 0.13 0.00 0.00 0.00 0.00 51.96 52.85 1s20 s ALA 142 Cb -0.11 -4.17 0.44 0.00 0.00 0.00 0.00 23.12 19.28 1s20 s ALA 142 CO 0.41 -3.38 1.19 1.33 0.00 0.00 0.00 175.76 175.32 1s20 n VAL 143 N 7.62 1.87 -5.05 0.00 0.24 -0.98 -4.78 118.33 117.25 1s20 n VAL 143 Ca 0.28 -3.15 -0.28 0.00 -2.04 0.00 0.00 64.34 59.15 1s20 n VAL 143 Cb 0.49 -0.16 -0.16 0.00 -1.47 0.00 0.00 33.84 32.54 1s20 n VAL 143 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1s20 s PRO 145 N -2.90 1.73 0.96 7.34 0.04 -1.25 -4.75 135.00 136.18 1s20 s PRO 145 Ca 0.40 -0.76 -0.11 0.00 0.04 0.00 0.00 61.00 60.57 1s20 s PRO 145 Cb 0.38 -1.67 0.17 0.00 0.04 0.00 0.00 34.50 33.42 1s20 s PRO 145 CO -0.05 0.46 1.11 -1.25 0.04 0.00 0.00 177.00 177.31 1s20 s PRO 146 N -0.50 0.66 -0.06 0.56 0.04 -1.26 -4.81 135.00 129.64 1s20 s PRO 146 Ca 0.08 1.30 -0.29 0.00 0.04 0.00 0.00 61.00 62.13 1s20 s PRO 146 Cb -0.08 -1.70 -0.07 0.00 0.04 0.00 0.00 34.50 32.68 1s20 s PRO 146 CO -0.01 -2.80 2.07 -0.46 0.04 0.00 0.00 177.00 175.85 1s20 s TRP 147 N -2.64 1.22 0.00 0.56 -0.11 -1.26 -1.22 118.94 115.48 1s20 s TRP 147 Ca 0.66 -0.08 0.00 0.00 1.22 0.00 0.00 56.10 57.91 1s20 s TRP 147 Cb -0.23 -4.13 0.00 0.00 -1.50 0.00 0.00 33.47 27.62 1s20 s TRP 147 CO 0.59 -5.02 0.00 0.41 -4.62 0.00 0.00 176.95 168.31 1s20 n GLY 148 N 5.03 0.57 3.67 5.86 0.00 -1.26 -5.05 105.19 114.01 1s20 n GLY 148 Ca 0.24 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 1s20 n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s20 s ALA 149 N -2.00 3.31 -0.05 4.61 0.00 -0.36 -5.03 121.76 122.24 1s20 s ALA 149 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 51.96 50.10 1s20 s ALA 149 Cb 0.00 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.56 1s20 s ALA 149 CO 0.00 0.08 0.85 0.36 0.00 0.00 0.00 175.76 177.06 1s20 n LYS 150 N -1.02 1.75 -4.86 0.00 2.85 -1.26 -4.71 118.16 110.92 1s20 n LYS 150 Ca -0.04 -1.21 -0.31 0.00 -1.05 0.00 0.00 58.31 55.70 1s20 n LYS 150 Cb 0.61 -1.01 -0.13 0.00 -0.65 0.00 0.00 35.03 33.85 1s20 n LYS 150 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1s20 s GLU 151 N -0.70 2.21 -0.21 -1.58 2.12 -1.26 -4.85 118.70 114.42 1s20 s GLU 151 Ca 0.01 -0.88 -0.29 0.00 0.36 0.00 0.00 54.97 54.16 1s20 s GLU 151 Cb 0.01 -2.22 -0.01 0.00 0.26 0.00 0.00 34.13 32.17 1s20 s GLU 151 CO 0.01 0.57 1.28 0.00 -0.54 0.00 0.00 175.26 176.58 1s20 n ARG 153 N 6.87 -0.12 -4.24 0.00 5.12 -1.26 -4.78 116.66 118.25 1s20 n ARG 153 Ca 0.14 -0.09 -0.17 0.00 -1.93 0.00 0.00 57.85 55.80 1s20 n ARG 153 Cb 0.45 -0.57 -0.11 0.00 -1.16 0.00 0.00 32.46 31.07 1s20 n ARG 153 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 1s20 s ILE 154 N -0.01 1.28 0.47 0.55 -4.36 -1.26 -4.77 121.20 113.10 1s20 s ILE 154 Ca 0.00 -1.80 0.05 0.00 -0.26 0.00 0.00 60.65 58.64 1s20 s ILE 154 Cb 0.00 -1.60 0.02 0.00 1.25 0.00 0.00 42.46 42.13 1s20 s ILE 154 CO 0.00 -0.51 0.66 -0.83 0.24 0.00 0.00 174.94 174.50 1s20 s GLY 155 N -2.64 1.85 0.06 6.27 0.00 -1.26 -2.33 107.32 109.28 1s20 s GLY 155 Ca 0.11 -1.47 0.23 0.00 0.00 0.00 0.00 44.72 43.58 1s20 s GLY 155 CO 0.02 -1.25 1.71 -1.30 0.00 0.00 0.00 173.10 172.28 1s20 n THR 156 N -2.07 0.56 -0.70 0.90 -2.24 -1.26 -4.89 114.28 104.58 1s20 n THR 156 Ca 0.07 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1s20 n THR 156 Cb 0.59 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 1s20 n THR 156 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1s20 n ASN 157 N -1.70 0.00 -4.74 3.42 3.02 -1.26 -4.48 115.26 109.52 1s20 n ASN 157 Ca 0.05 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.18 1s20 n ASN 157 Cb 0.27 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.42 1s20 n ASN 157 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1s20 s PRO 158 N -0.23 4.24 -0.12 3.52 0.04 -1.24 -4.79 135.00 136.42 1s20 s PRO 158 Ca 0.00 2.34 -0.04 0.00 0.04 0.00 0.00 61.00 63.34 1s20 s PRO 158 Cb 0.00 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.40 1s20 s PRO 158 CO 0.00 -0.46 0.01 -1.17 0.04 0.00 0.00 177.00 175.42 1s20 s LEU 159 N -0.25 3.57 -0.07 -3.56 2.96 -1.26 -3.51 118.68 116.56 1s20 s LEU 159 Ca 0.61 0.07 0.04 0.00 -0.22 0.00 0.00 54.13 54.63 1s20 s LEU 159 Cb -0.43 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.42 1s20 s LEU 159 CO 0.43 0.29 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.93 1s20 s ILE 160 N -0.32 1.56 -0.16 6.68 1.09 0.55 -4.13 121.20 126.48 1s20 s ILE 160 Ca 0.07 -0.76 -0.04 0.00 -1.10 0.00 0.00 60.65 58.82 1s20 s ILE 160 Cb -0.12 -1.37 0.06 0.00 -1.06 0.00 0.00 42.46 39.97 1s20 s ILE 160 CO 0.02 0.45 0.08 -0.69 -0.10 0.00 0.00 174.94 174.70 1s20 s VAL 161 N 0.30 -0.01 -0.04 2.92 1.01 0.33 -1.30 120.40 123.61 1s20 s VAL 161 Ca -0.11 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 61.75 1s20 s VAL 161 Cb -0.15 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1s20 s VAL 161 CO 0.05 -0.23 -0.14 0.00 0.00 0.00 0.00 175.10 174.78 1s20 s ALA 162 N 2.11 2.68 -0.13 5.51 0.00 0.97 0.12 121.76 133.03 1s20 s ALA 162 Ca 0.02 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.01 1s20 s ALA 162 Cb -0.16 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.00 1s20 s ALA 162 CO -0.08 0.56 -0.21 0.42 0.00 0.00 0.00 175.76 176.45 1s20 s ILE 163 N -0.76 2.23 0.00 0.00 -1.09 0.14 -1.08 121.20 120.63 1s20 s ILE 163 Ca 0.12 -0.94 -0.01 0.00 -2.23 0.00 0.00 60.65 57.59 1s20 s ILE 163 Cb -0.11 -1.89 -0.04 0.00 -1.58 0.00 0.00 42.46 38.85 1s20 s ILE 163 CO 0.01 0.55 0.98 -0.81 -1.23 0.00 0.00 174.94 174.44 1s20 n PRO 164 N 3.82 0.43 -2.19 2.79 -0.04 -1.26 -2.38 135.00 136.18 1s20 n PRO 164 Ca -0.19 -0.14 -0.28 0.00 -0.04 0.00 0.00 63.50 62.85 1s20 n PRO 164 Cb 0.52 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.65 1s20 n PRO 164 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1s20 s SER 165 N 2.35 3.42 -0.26 3.54 1.04 -1.26 -4.94 113.70 117.59 1s20 s SER 165 Ca 0.09 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1s20 s SER 165 Cb 0.05 -0.06 0.07 0.00 0.10 0.00 0.00 66.02 66.18 1s20 s SER 165 CO 0.00 -2.51 0.00 -0.89 0.98 0.00 0.00 173.24 170.83 1s20 s THR 166 N -3.65 1.36 0.97 2.02 2.01 -1.26 -1.83 115.64 115.27 1s20 s THR 166 Ca 0.73 -1.33 -0.13 0.00 0.31 0.00 0.00 61.69 61.27 1s20 s THR 166 Cb -0.03 -1.79 0.17 0.00 0.01 0.00 0.00 72.50 70.86 1s20 s THR 166 CO 0.50 -0.30 1.14 -2.16 -0.69 0.00 0.00 174.62 173.11 1s20 s PRO 167 N 1.43 0.66 0.17 4.92 0.04 -1.26 -5.04 135.00 135.92 1s20 s PRO 167 Ca 0.00 0.22 -0.33 0.00 0.04 0.00 0.00 61.00 60.94 1s20 s PRO 167 Cb -0.18 -1.79 -0.12 0.00 0.04 0.00 0.00 34.50 32.44 1s20 s PRO 167 CO -0.11 -2.51 1.70 -0.89 0.04 0.00 0.00 177.00 175.23 1s20 n ILE 168 N -3.97 0.07 -4.03 0.56 5.41 -0.76 -5.00 119.36 111.64 1s20 n ILE 168 Ca 0.08 -0.01 -0.29 0.00 1.00 0.00 0.00 62.75 63.52 1s20 n ILE 168 Cb 0.59 -1.86 -0.06 0.00 -0.71 0.00 0.00 39.64 37.60 1s20 n ILE 168 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1s20 s THR 169 N 1.42 4.67 -0.19 1.39 2.01 -1.00 -4.13 115.64 119.81 1s20 s THR 169 Ca 0.78 -0.78 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 1s20 s THR 169 Cb -0.56 -3.29 0.07 0.00 0.01 0.00 0.00 72.50 68.72 1s20 s THR 169 CO 0.35 0.06 0.46 -0.69 -0.69 0.00 0.00 174.62 174.11 1s20 s VAL 171 N -1.50 -0.11 -0.02 3.82 1.01 0.12 0.24 120.40 123.95 1s20 s VAL 171 Ca 0.31 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.38 1s20 s VAL 171 Cb -0.12 -0.68 0.02 0.00 0.00 0.00 0.00 36.38 35.60 1s20 s VAL 171 CO 0.23 0.04 -0.02 -0.62 0.00 0.00 0.00 175.10 174.73 1s20 s ASP 172 N 1.61 0.55 0.00 3.32 -1.08 -1.26 -0.51 116.67 119.30 1s20 s ASP 172 Ca -0.09 -0.07 0.00 0.00 -0.52 0.00 0.00 52.55 51.88 1s20 s ASP 172 Cb -0.08 -0.21 0.00 0.00 -1.46 0.00 0.00 42.92 41.16 1s20 s ASP 172 CO -0.14 -0.04 0.00 -0.24 0.52 0.00 0.00 175.17 175.27 1s20 n SER 174 N 3.70 0.00 0.00 -0.34 2.88 -1.26 -4.99 113.62 113.61 1s20 n SER 174 Ca -0.22 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.32 1s20 n SER 174 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1s20 n SER 174 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1s20 n SER 176 N 0.00 0.00 -2.26 -3.46 3.41 -1.26 -4.90 113.62 105.15 1s20 n SER 176 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.40 1s20 n SER 176 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1s20 n SER 176 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1s20 n PHE 178 N 1.66 -2.16 -3.67 7.33 3.01 -1.26 -4.97 117.46 117.40 1s20 n PHE 178 Ca 0.00 0.13 -0.33 0.00 1.01 0.00 0.00 57.45 58.26 1s20 n PHE 178 Cb 0.00 -0.86 -0.05 0.00 -0.01 0.00 0.00 39.48 38.56 1s20 n PHE 178 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1s20 s SER 179 N -0.55 6.52 0.60 4.37 1.04 -1.26 -4.94 113.70 119.49 1s20 s SER 179 Ca 0.27 0.62 0.29 0.00 0.48 0.00 0.00 55.95 57.60 1s20 s SER 179 Cb -0.19 -2.10 1.53 0.00 0.10 0.00 0.00 66.02 65.35 1s20 s SER 179 CO 0.40 0.11 1.93 1.88 0.98 0.00 0.00 173.24 178.55 1s20 h TYR 180 N 3.19 0.00 0.00 5.02 0.05 -2.00 -2.69 116.97 120.55 1s20 h TYR 180 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.31 1s20 h TYR 180 Cb 1.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.92 1s20 h TYR 180 CO 0.63 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 178.15 1s20 n GLY 181 N -1.44 0.75 2.74 3.88 0.00 -1.26 -2.47 105.19 107.39 1s20 n GLY 181 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1s20 n GLY 181 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s20 n LEU 183 N 0.65 0.00 -0.24 0.99 4.77 -1.01 -2.03 117.00 120.12 1s20 n LEU 183 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 1s20 n LEU 183 Cb 0.17 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.34 1s20 n LEU 183 CO 0.00 0.00 1.14 -0.08 -1.33 0.00 0.00 177.39 177.12 1s20 h GLU 184 N 0.00 0.83 -0.08 3.23 4.81 -1.79 0.19 114.58 121.77 1s20 h GLU 184 Ca 0.00 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1s20 h GLU 184 Cb 0.00 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.16 1s20 h GLU 184 CO 0.00 0.55 -0.14 0.28 -0.73 0.00 0.00 179.01 178.97 1s20 h VAL 185 N 0.85 0.64 -0.65 0.32 2.07 -1.70 0.12 116.25 117.90 1s20 h VAL 185 Ca 0.27 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.73 1s20 h VAL 185 Cb 0.01 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1s20 h VAL 185 CO -0.10 0.00 0.16 0.78 0.02 0.00 0.00 177.57 178.43 1s20 h ASN 186 N -0.19 0.96 0.11 0.57 -0.26 -1.73 -1.30 115.58 113.75 1s20 h ASN 186 Ca 0.07 -0.19 -0.01 0.00 -0.56 0.00 0.00 56.30 55.62 1s20 h ASN 186 Cb 0.29 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.30 1s20 h ASN 186 CO -0.19 0.93 -0.05 -0.09 -1.06 0.00 0.00 177.43 176.96 1s20 h ARG 187 N 0.97 -0.14 -0.67 0.81 2.43 -0.04 0.17 114.38 117.91 1s20 h ARG 187 Ca 0.21 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1s20 h ARG 187 Cb 0.34 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1s20 h ARG 187 CO 0.00 -0.01 0.31 -0.07 -1.51 0.00 0.00 179.97 178.70 1s20 h LEU 188 N -0.25 0.86 -1.03 3.80 3.38 -0.71 -1.64 115.31 119.72 1s20 h LEU 188 Ca -0.02 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1s20 h LEU 188 Cb 0.20 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1s20 h LEU 188 CO 0.02 0.74 -0.14 0.00 0.09 0.00 0.00 178.44 179.15 1s20 h ALA 189 N 1.40 0.99 0.00 1.53 0.00 -0.98 -3.47 119.26 118.73 1s20 h ALA 189 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1s20 h ALA 189 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1s20 h ALA 189 CO -0.03 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.81 1s20 n GLY 190 N 0.28 0.59 3.72 0.00 0.00 0.39 -5.06 105.19 105.10 1s20 n GLY 190 Ca 0.01 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 1s20 n GLY 190 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1s20 s ARG 191 N -1.17 2.37 0.34 1.61 1.70 0.05 -5.01 118.95 118.84 1s20 s ARG 191 Ca 0.00 -1.51 0.07 0.00 -0.47 0.00 0.00 55.73 53.82 1s20 s ARG 191 Cb 0.00 -2.18 -0.01 0.00 -0.57 0.00 0.00 34.95 32.19 1s20 s ARG 191 CO 0.00 0.18 0.42 -0.65 -1.08 0.00 0.00 175.30 174.16 1s20 s GLN 192 N -3.81 2.99 0.45 3.89 -0.21 -1.26 -4.17 119.66 117.54 1s20 s GLN 192 Ca 0.36 -1.11 -0.24 0.00 0.02 0.00 0.00 55.36 54.39 1s20 s GLN 192 Cb -0.03 -2.71 -0.07 0.00 1.00 0.00 0.00 33.01 31.19 1s20 s GLN 192 CO 0.22 0.06 1.27 -0.51 -2.12 0.00 0.00 175.29 174.21 1s20 s LEU 193 N -4.12 4.08 0.52 2.90 1.43 -0.28 -4.91 118.68 118.29 1s20 s LEU 193 Ca 0.44 2.56 0.22 0.00 -1.03 0.00 0.00 54.13 56.32 1s20 s LEU 193 Cb -0.08 -4.08 1.39 0.00 0.03 0.00 0.00 46.19 43.45 1s20 s LEU 193 CO 0.30 -1.01 2.12 1.55 0.23 0.00 0.00 176.35 179.53 1s20 h PRO 194 N 2.24 0.00 -4.29 1.29 0.13 -1.98 -3.44 132.00 125.95 1s20 h PRO 194 Ca -0.50 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.47 1s20 h PRO 194 Cb 1.26 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.24 1s20 h PRO 194 CO 0.61 0.08 -0.57 0.14 -0.23 0.00 0.00 178.00 178.03 1s20 s VAL 195 N -4.62 0.09 0.16 1.56 -7.23 -1.26 -5.11 120.40 103.99 1s20 s VAL 195 Ca -0.04 -1.78 -0.34 0.00 -1.81 0.00 0.00 61.98 58.01 1s20 s VAL 195 Cb 0.15 -1.99 -0.14 0.00 0.56 0.00 0.00 36.38 34.96 1s20 s VAL 195 CO 0.62 -0.42 1.53 0.47 -0.31 0.00 0.00 175.10 176.99 1s20 n ASP 196 N -0.12 2.89 -0.66 4.85 8.00 -1.26 -4.74 116.55 125.51 1s20 n ASP 196 Ca -0.06 1.09 0.03 0.00 0.71 0.00 0.00 54.79 56.57 1s20 n ASP 196 Cb 0.63 -1.40 0.05 0.00 -0.02 0.00 0.00 41.12 40.38 1s20 n ASP 196 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s20 n GLY 197 N 3.15 1.85 0.00 0.44 0.00 -0.73 -4.96 105.19 104.95 1s20 n GLY 197 Ca 0.16 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1s20 n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s20 n GLY 198 N -0.25 -1.44 3.13 -0.02 0.00 -1.18 -1.95 105.19 103.47 1s20 n GLY 198 Ca 0.06 -1.01 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 1s20 n GLY 198 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s20 s PHE 199 N -2.65 1.41 0.89 1.61 0.08 -0.51 -0.76 117.98 118.05 1s20 s PHE 199 Ca 0.00 -0.28 -0.10 0.00 0.12 0.00 0.00 56.93 56.66 1s20 s PHE 199 Cb 0.00 -0.92 0.19 0.00 -0.57 0.00 0.00 43.02 41.72 1s20 s PHE 199 CO 0.00 -0.04 1.21 0.16 -0.10 0.00 0.00 175.22 176.45 1s20 s ASP 200 N -0.30 3.45 0.50 1.36 3.84 -0.02 -4.64 116.67 120.85 1s20 s ASP 200 Ca 0.05 -0.07 0.18 0.00 -0.00 0.00 0.00 52.55 52.71 1s20 s ASP 200 Cb -0.07 -0.04 1.22 0.00 -1.38 0.00 0.00 42.92 42.65 1s20 s ASP 200 CO -0.00 -2.49 2.06 0.44 -0.00 0.00 0.00 175.17 175.17 1s20 h ASP 201 N -1.27 0.12 0.52 2.11 3.32 -1.91 0.17 116.42 119.49 1s20 h ASP 201 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1s20 h ASP 201 Cb 1.24 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1s20 h ASP 201 CO 0.36 0.08 0.00 -0.62 -1.72 0.00 0.00 179.24 177.33 1s20 n GLU 202 N -4.47 0.36 -0.68 3.56 4.71 -1.26 -4.87 120.64 117.99 1s20 n GLU 202 Ca 0.04 0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.23 1s20 n GLU 202 Cb 0.32 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.25 1s20 n GLU 202 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1s20 n GLY 203 N 1.00 0.58 3.83 0.62 0.00 0.05 -5.06 105.19 106.20 1s20 n GLY 203 Ca 0.12 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 1s20 n GLY 203 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s20 s ASN 204 N -2.66 6.09 0.52 1.61 0.01 -1.26 -4.83 114.94 114.43 1s20 s ASN 204 Ca 0.00 0.38 -0.22 0.00 -0.71 0.00 0.00 52.86 52.31 1s20 s ASN 204 Cb 0.00 -1.91 -0.06 0.00 0.41 0.00 0.00 41.25 39.68 1s20 s ASN 204 CO 0.00 0.40 1.19 0.18 -1.51 0.00 0.00 177.10 177.35 1s20 n LEU 205 N 1.97 4.35 -3.82 0.60 4.77 -1.26 -0.84 117.00 122.77 1s20 n LEU 205 Ca -0.19 0.96 -0.09 0.00 -0.03 0.00 0.00 56.01 56.66 1s20 n LEU 205 Cb 0.55 -1.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.09 1s20 n LEU 205 CO 0.31 -1.07 0.00 0.28 -1.33 0.00 0.00 177.39 175.57 1s20 s THR 206 N -1.33 0.10 -0.95 -5.08 -1.32 0.06 -4.77 115.64 102.35 1s20 s THR 206 Ca 0.70 -1.07 0.08 0.00 -1.21 0.00 0.00 61.69 60.19 1s20 s THR 206 Cb -0.45 -1.43 0.10 0.00 -1.51 0.00 0.00 72.50 69.21 1s20 s THR 206 CO 0.51 -0.47 0.86 0.29 -2.21 0.00 0.00 174.62 173.60 1s20 n LYS 207 N -0.15 0.75 -2.57 7.08 5.02 -1.26 -1.77 118.16 125.27 1s20 n LYS 207 Ca -0.13 -1.19 -0.42 0.00 -2.02 0.00 0.00 58.31 54.54 1s20 n LYS 207 Cb 0.63 -1.17 -0.02 0.00 -0.02 0.00 0.00 35.03 34.45 1s20 n LYS 207 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1s20 s GLU 208 N -0.76 3.57 0.13 1.97 2.56 -1.26 -1.12 118.70 123.79 1s20 s GLU 208 Ca 0.11 0.39 -0.27 0.00 0.00 0.00 0.00 54.97 55.20 1s20 s GLU 208 Cb 0.07 -3.99 -0.05 0.00 2.00 0.00 0.00 34.13 32.17 1s20 s GLU 208 CO 0.11 -1.60 1.61 -1.35 -0.56 0.00 0.00 175.26 173.46 1s20 h PRO 209 N 9.58 -0.45 -0.56 4.30 0.11 -1.89 -3.00 132.00 140.10 1s20 h PRO 209 Ca -0.25 0.03 0.11 0.00 0.11 0.00 0.00 66.00 66.01 1s20 h PRO 209 Cb 1.06 0.10 -0.10 0.00 0.11 0.00 0.00 31.00 32.18 1s20 h PRO 209 CO 1.16 -0.30 -0.05 0.78 -0.21 0.00 0.00 178.00 179.38 1s20 h GLY 210 N -0.47 0.52 0.45 -0.55 0.00 -1.92 0.56 103.07 101.66 1s20 h GLY 210 Ca 0.07 0.12 0.10 0.00 0.00 0.00 0.00 47.33 47.62 1s20 h GLY 210 CO -0.30 -0.19 0.39 -2.08 0.00 0.00 0.00 176.54 174.36 1s20 h VAL 211 N 0.07 0.85 -0.23 4.60 2.07 -1.94 -1.77 116.25 119.89 1s20 h VAL 211 Ca 0.28 -0.22 -0.19 0.00 0.82 0.00 0.00 66.70 67.39 1s20 h VAL 211 Cb 0.44 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1s20 h VAL 211 CO -0.51 0.12 -0.59 0.40 0.02 0.00 0.00 177.57 177.00 1s20 h ILE 212 N 0.64 1.29 0.00 4.57 2.04 -1.17 -2.37 117.51 122.52 1s20 h ILE 212 Ca 0.37 -1.80 -0.01 0.00 1.00 0.00 0.00 64.86 64.42 1s20 h ILE 212 Cb 0.40 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1s20 h ILE 212 CO -0.28 0.58 -0.06 -0.33 0.00 0.00 0.00 178.15 178.06 1s20 h GLU 213 N 0.57 0.00 0.00 2.37 5.08 -0.30 0.82 114.58 123.13 1s20 h GLU 213 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1s20 h GLU 213 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1s20 h GLU 213 CO 0.12 0.06 -0.59 0.87 -1.00 0.00 0.00 179.01 178.47 1s20 h LYS 214 N 0.00 0.01 -0.00 2.33 6.56 -1.20 -3.37 116.57 120.89 1s20 h LYS 214 Ca -0.00 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1s20 h LYS 214 Cb 0.12 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.79 1s20 h LYS 214 CO 0.01 1.00 -0.20 0.27 -2.06 0.00 0.00 179.45 178.47 1s20 n ASN 215 N -4.52 0.53 -1.22 0.86 0.23 -0.90 -4.92 115.26 105.31 1s20 n ASN 215 Ca -0.20 -0.44 -0.16 0.00 -0.53 0.00 0.00 54.58 53.25 1s20 n ASN 215 Cb 0.58 -0.02 -0.07 0.00 -2.08 0.00 0.00 39.78 38.19 1s20 n ASN 215 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1s20 n ARG 216 N -1.07 -1.35 -1.86 -3.83 5.12 0.28 -4.88 116.66 109.07 1s20 n ARG 216 Ca 0.11 1.05 -0.36 0.00 -1.93 0.00 0.00 57.85 56.73 1s20 n ARG 216 Cb 0.31 -5.34 -0.02 0.00 -1.16 0.00 0.00 32.46 26.25 1s20 n ARG 216 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1s20 n ARG 217 N -2.05 3.91 -2.06 5.56 1.74 -1.24 -4.54 116.66 117.98 1s20 n ARG 217 Ca -0.16 -3.17 -0.41 0.00 -0.77 0.00 0.00 57.85 53.34 1s20 n ARG 217 Cb 0.58 -2.46 -0.02 0.00 -1.02 0.00 0.00 32.46 29.55 1s20 n ARG 217 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1s20 s ILE 218 N -1.76 2.62 -0.08 0.55 2.07 -1.26 -1.42 121.20 121.91 1s20 s ILE 218 Ca 0.55 0.61 -0.28 0.00 -1.41 0.00 0.00 60.65 60.13 1s20 s ILE 218 Cb 0.25 -3.39 -0.02 0.00 0.13 0.00 0.00 42.46 39.43 1s20 s ILE 218 CO -0.14 0.14 0.90 -0.22 -1.91 0.00 0.00 174.94 173.71 1s20 s LEU 219 N -1.73 4.28 0.00 8.50 2.96 -0.82 -4.55 118.68 127.32 1s20 s LEU 219 Ca 0.50 1.43 0.00 0.00 -0.22 0.00 0.00 54.13 55.84 1s20 s LEU 219 Cb -0.41 -3.40 0.00 0.00 0.50 0.00 0.00 46.19 42.88 1s20 s LEU 219 CO 0.54 -0.32 0.00 -2.65 -1.32 0.00 0.00 176.35 172.60 1s20 n PRO 220 N 4.49 0.00 0.00 0.98 -0.02 -1.26 -4.41 135.00 134.78 1s20 n PRO 220 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1s20 n PRO 220 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 1s20 n PRO 220 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s20 n GLY 222 N 2.16 0.00 7.00 -1.23 0.00 -1.26 -4.81 105.19 107.05 1s20 n GLY 222 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1s20 n GLY 222 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s20 n TYR 223 N 0.00 0.00 0.23 1.61 4.01 -1.26 -1.38 117.16 120.37 1s20 n TYR 223 Ca 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.83 1s20 n TYR 223 Cb 0.00 0.00 0.54 0.00 -0.31 0.00 0.00 39.34 39.57 1s20 n TYR 223 CO 0.00 0.00 0.00 0.11 -0.46 0.00 0.00 176.86 176.51 1s20 h TRP 224 N 0.00 0.00 -0.36 -0.72 0.09 -1.97 -2.68 115.95 110.31 1s20 h TRP 224 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 58.89 58.88 1s20 h TRP 224 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.23 1s20 h TRP 224 CO 0.00 0.23 -0.16 0.87 0.09 0.00 0.00 178.44 179.47 1s20 h LYS 225 N 0.00 0.75 -0.45 0.12 1.57 -1.61 -0.65 116.57 116.30 1s20 h LYS 225 Ca -0.00 -0.32 -0.14 0.00 -1.87 0.00 0.00 60.65 58.31 1s20 h LYS 225 Cb 0.55 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1s20 h LYS 225 CO 0.03 0.94 -0.28 0.78 -0.57 0.00 0.00 179.45 180.35 1s20 h GLY 226 N 0.54 1.07 0.77 3.86 0.00 -1.67 -3.07 103.07 104.57 1s20 h GLY 226 Ca 0.08 -1.00 0.02 0.00 0.00 0.00 0.00 47.33 46.43 1s20 h GLY 226 CO 0.05 0.91 -0.06 0.23 0.00 0.00 0.00 176.54 177.67 1s20 h SER 227 N 0.83 -0.18 0.00 0.19 0.87 -1.40 0.10 113.55 113.97 1s20 h SER 227 Ca 0.09 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1s20 h SER 227 Cb 0.87 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1s20 h SER 227 CO 0.08 -0.08 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 1s20 n GLY 228 N -1.18 0.07 2.25 5.77 0.00 -0.26 -2.21 105.19 109.63 1s20 n GLY 228 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1s20 n GLY 228 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s20 n SER 230 N 0.74 0.00 -0.10 1.61 2.88 0.02 -1.74 113.62 117.02 1s20 n SER 230 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1s20 n SER 230 Cb 0.01 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.45 1s20 n SER 230 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1s20 h ILE 231 N 0.00 1.19 -0.25 2.46 2.04 -1.71 -1.75 117.51 119.49 1s20 h ILE 231 Ca 0.00 -0.61 -0.07 0.00 1.00 0.00 0.00 64.86 65.19 1s20 h ILE 231 Cb 0.00 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1s20 h ILE 231 CO 0.00 0.21 -0.14 -0.37 0.00 0.00 0.00 178.15 177.85 1s20 h VAL 232 N 0.37 1.22 -0.00 1.67 -1.51 -1.63 -2.06 116.25 114.30 1s20 h VAL 232 Ca 0.11 -0.99 -0.12 0.00 -1.23 0.00 0.00 66.70 64.47 1s20 h VAL 232 Cb 0.21 1.19 -0.02 0.00 -2.13 0.00 0.00 31.29 30.54 1s20 h VAL 232 CO -0.01 0.32 -0.55 -0.07 -1.23 0.00 0.00 177.57 176.04 1s20 h LEU 233 N 0.39 0.01 -1.31 4.19 3.38 -1.78 -1.90 115.31 118.29 1s20 h LEU 233 Ca 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1s20 h LEU 233 Cb 0.48 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1s20 h LEU 233 CO 0.03 0.56 0.00 -0.67 0.09 0.00 0.00 178.44 178.45 1s20 n ASP 234 N -3.89 0.87 0.00 -0.43 2.03 -0.67 -1.77 116.55 112.68 1s20 n ASP 234 Ca -0.01 -1.07 0.00 0.00 0.52 0.00 0.00 54.79 54.22 1s20 n ASP 234 Cb 0.55 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 1s20 n ASP 234 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1s20 n ILE 236 N 0.39 0.00 -0.04 5.18 5.41 -0.72 -0.54 119.36 129.04 1s20 n ILE 236 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.72 1s20 n ILE 236 Cb 0.18 0.00 0.20 0.00 -0.71 0.00 0.00 39.64 39.30 1s20 n ILE 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1s20 h ALA 237 N 0.00 1.13 -0.01 -1.39 0.00 -1.61 -1.59 119.26 115.79 1s20 h ALA 237 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1s20 h ALA 237 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1s20 h ALA 237 CO 0.00 0.54 -0.03 1.15 0.00 0.00 0.00 179.25 180.92 1s20 h THR 238 N 0.57 1.46 0.39 0.00 2.02 -1.07 -3.05 112.91 113.23 1s20 h THR 238 Ca 0.10 -1.40 -0.02 0.00 0.77 0.00 0.00 66.41 65.86 1s20 h THR 238 Cb 0.54 2.38 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 1s20 h THR 238 CO 0.03 0.37 -0.19 -0.07 0.37 0.00 0.00 175.52 176.03 1s20 h LEU 239 N -0.54 -0.45 -1.65 2.58 3.38 -1.78 0.65 115.31 117.51 1s20 h LEU 239 Ca -0.00 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1s20 h LEU 239 Cb 0.62 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1s20 h LEU 239 CO 0.01 -0.20 -0.17 -0.07 0.09 0.00 0.00 178.44 178.10 1s20 h LEU 240 N -0.68 0.01 -1.58 1.67 3.38 -1.44 -2.59 115.31 114.09 1s20 h LEU 240 Ca -0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1s20 h LEU 240 Cb 0.49 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1s20 h LEU 240 CO 0.09 0.18 -0.17 -1.54 0.09 0.00 0.00 178.44 177.09 1s20 n SER 241 N -4.34 2.61 -4.21 -0.43 3.41 -1.15 -4.77 113.62 104.73 1s20 n SER 241 Ca -0.02 -1.81 -0.32 0.00 -0.26 0.00 0.00 58.87 56.46 1s20 n SER 241 Cb 0.24 0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 64.30 1s20 n SER 241 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1s20 n ASP 242 N 0.83 -0.89 0.00 4.04 -0.08 0.15 -4.54 116.55 116.06 1s20 n ASP 242 Ca 0.12 -1.12 0.00 0.00 -1.51 0.00 0.00 54.79 52.28 1s20 n ASP 242 Cb 0.54 -2.34 0.00 0.00 2.34 0.00 0.00 41.12 41.66 1s20 n ASP 242 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1s20 n GLY 243 N -1.89 4.52 3.82 0.27 0.00 -0.75 -5.02 105.19 106.14 1s20 n GLY 243 Ca -0.16 -1.97 -0.38 0.00 0.00 0.00 0.00 46.02 43.51 1s20 n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s20 s ALA 244 N -2.16 3.62 0.67 4.61 0.00 -1.26 -4.87 121.76 122.36 1s20 s ALA 244 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.90 1s20 s ALA 244 Cb 0.00 -2.56 0.10 0.00 0.00 0.00 0.00 23.12 20.66 1s20 s ALA 244 CO 0.00 0.43 0.68 -1.13 0.00 0.00 0.00 175.76 175.74 1s20 n SER 245 N 1.69 0.76 -0.17 0.00 3.41 -1.26 -4.14 113.62 113.92 1s20 n SER 245 Ca -0.11 -1.68 -0.08 0.00 -0.26 0.00 0.00 58.87 56.74 1s20 n SER 245 Cb 0.51 -0.45 0.01 0.00 -0.26 0.00 0.00 64.21 64.02 1s20 n SER 245 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1s20 h VAL 246 N -0.67 1.17 0.36 -3.33 2.07 -1.91 -0.75 116.25 113.19 1s20 h VAL 246 Ca -0.22 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1s20 h VAL 246 Cb 0.79 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1s20 h VAL 246 CO 0.23 0.18 -0.28 0.00 0.02 0.00 0.00 177.57 177.71 1s20 h ALA 247 N 1.11 -0.64 0.15 1.67 0.00 -1.87 -1.67 119.26 118.01 1s20 h ALA 247 Ca 0.17 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1s20 h ALA 247 Cb 0.05 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1s20 h ALA 247 CO -0.03 -0.88 -0.25 1.49 0.00 0.00 0.00 179.25 179.58 1s20 h GLU 248 N -0.64 -0.46 -0.32 0.00 4.81 -1.86 0.39 114.58 116.50 1s20 h GLU 248 Ca -0.03 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1s20 h GLU 248 Cb 0.55 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 1s20 h GLU 248 CO -0.01 -0.30 0.23 0.28 -0.73 0.00 0.00 179.01 178.48 1s20 h VAL 249 N -0.47 0.90 0.01 0.32 2.07 -1.13 0.14 116.25 118.08 1s20 h VAL 249 Ca 0.02 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 1s20 h VAL 249 Cb 0.49 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1s20 h VAL 249 CO -0.13 0.02 -0.20 0.74 0.02 0.00 0.00 177.57 178.03 1s20 h THR 250 N 0.12 1.68 0.00 2.57 2.02 -0.68 -3.06 112.91 115.55 1s20 h THR 250 Ca 0.15 -2.34 -0.07 0.00 0.77 0.00 0.00 66.41 64.93 1s20 h THR 250 Cb 0.44 3.24 -0.01 0.00 -1.74 0.00 0.00 68.15 70.09 1s20 h THR 250 CO -0.02 0.58 -0.37 1.56 0.37 0.00 0.00 175.52 177.65 1s20 h GLN 251 N -0.97 0.00 0.00 6.66 4.20 -0.82 -3.37 115.11 120.81 1s20 h GLN 251 Ca -0.05 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.52 1s20 h GLN 251 Cb 1.07 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.82 1s20 h GLN 251 CO -0.02 0.29 -1.95 -0.25 -0.67 0.00 0.00 178.83 176.24 1s20 n ASP 252 N -3.15 1.01 -4.92 1.46 10.43 0.49 -5.01 116.55 116.85 1s20 n ASP 252 Ca 0.02 0.00 -0.22 0.00 2.57 0.00 0.00 54.79 57.16 1s20 n ASP 252 Cb 0.66 1.37 -0.03 0.00 1.84 0.00 0.00 41.12 44.96 1s20 n ASP 252 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 1s20 s ASN 253 N -4.48 6.08 0.15 -2.24 0.01 -1.16 -5.01 114.94 108.29 1s20 s ASN 253 Ca -0.07 -0.02 0.27 0.00 -0.71 0.00 0.00 52.86 52.33 1s20 s ASN 253 Cb 0.08 -1.72 0.86 0.00 0.41 0.00 0.00 41.25 40.87 1s20 s ASN 253 CO 0.70 -0.05 1.76 -1.20 -1.51 0.00 0.00 177.10 176.80 1s20 n SER 254 N -1.25 0.62 -0.66 -1.22 7.64 -1.26 -4.79 113.62 112.70 1s20 n SER 254 Ca -0.09 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.30 1s20 n SER 254 Cb 0.57 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1s20 n SER 254 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1s20 n ASP 255 N -2.07 0.00 -4.48 6.43 -0.08 -1.26 -5.09 116.55 110.00 1s20 n ASP 255 Ca 0.06 -0.66 -0.43 0.00 -1.51 0.00 0.00 54.79 52.25 1s20 n ASP 255 Cb 0.41 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.84 1s20 n ASP 255 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1s20 s GLU 256 N -0.97 3.37 0.21 -0.67 2.12 -1.26 -4.85 118.70 116.64 1s20 s GLU 256 Ca 0.00 -1.14 -0.21 0.00 0.36 0.00 0.00 54.97 53.98 1s20 s GLU 256 Cb 0.00 -4.65 0.04 0.00 0.26 0.00 0.00 34.13 29.78 1s20 s GLU 256 CO 0.00 -1.91 0.63 1.52 -0.54 0.00 0.00 175.26 174.96 1s20 s TYR 257 N 3.93 -0.34 -0.71 5.30 1.13 -1.26 -4.65 117.35 120.75 1s20 s TYR 257 Ca 0.31 0.01 0.00 0.00 -1.41 0.00 0.00 57.07 55.98 1s20 s TYR 257 Cb -0.09 0.58 0.00 0.00 -1.10 0.00 0.00 41.96 41.35 1s20 s TYR 257 CO 0.00 -1.00 0.00 0.41 -2.51 0.00 0.00 175.55 172.46 1s20 n GLY 258 N -0.40 0.88 3.63 5.49 0.00 0.07 -4.91 105.19 109.96 1s20 n GLY 258 Ca -0.11 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 1s20 n GLY 258 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1s20 s ILE 259 N -2.25 1.60 -0.03 -0.61 -4.36 0.37 -3.71 121.20 112.21 1s20 s ILE 259 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 60.65 60.46 1s20 s ILE 259 Cb 0.00 -2.57 -0.02 0.00 1.25 0.00 0.00 42.46 41.13 1s20 s ILE 259 CO 0.00 0.00 -0.24 -0.44 0.24 0.00 0.00 174.94 174.50 1s20 s SER 260 N -4.13 2.87 0.07 4.36 0.01 -1.26 -0.97 113.70 114.65 1s20 s SER 260 Ca 0.73 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 57.56 1s20 s SER 260 Cb -0.07 -0.40 -0.03 0.00 0.21 0.00 0.00 66.02 65.72 1s20 s SER 260 CO 0.55 0.29 -0.09 -1.10 0.41 0.00 0.00 173.24 173.30 1s20 s GLN 261 N -0.49 0.70 -0.02 12.44 -0.21 -0.05 -1.88 119.66 130.15 1s20 s GLN 261 Ca 0.07 -0.99 0.06 0.00 0.02 0.00 0.00 55.36 54.52 1s20 s GLN 261 Cb -0.10 -0.40 -0.02 0.00 1.00 0.00 0.00 33.01 33.50 1s20 s GLN 261 CO -0.00 0.06 -0.21 0.42 -2.12 0.00 0.00 175.29 173.43 1s20 s ILE 262 N -2.06 1.70 -0.08 1.08 -1.09 0.01 -0.59 121.20 120.17 1s20 s ILE 262 Ca -0.01 -0.91 0.00 0.00 -2.23 0.00 0.00 60.65 57.50 1s20 s ILE 262 Cb -0.05 -1.42 0.02 0.00 -1.58 0.00 0.00 42.46 39.43 1s20 s ILE 262 CO -0.00 0.48 -0.06 -0.36 -1.23 0.00 0.00 174.94 173.77 1s20 s PHE 263 N -0.45 1.10 -0.05 3.97 0.08 -0.43 -2.11 117.98 120.09 1s20 s PHE 263 Ca 0.07 -0.43 0.03 0.00 0.12 0.00 0.00 56.93 56.72 1s20 s PHE 263 Cb -0.09 -0.95 0.01 0.00 -0.57 0.00 0.00 43.02 41.42 1s20 s PHE 263 CO -0.00 -0.34 -0.14 0.42 -0.10 0.00 0.00 175.22 175.06 1s20 s ILE 264 N 1.34 1.23 -0.04 0.64 1.01 0.17 -0.48 121.20 125.07 1s20 s ILE 264 Ca -0.03 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.08 1s20 s ILE 264 Cb -0.14 -1.09 -0.00 0.00 0.01 0.00 0.00 42.46 41.24 1s20 s ILE 264 CO -0.03 0.37 -0.16 0.00 0.00 0.00 0.00 174.94 175.12 1s20 s ALA 265 N 0.35 1.45 -0.07 9.38 0.00 -0.74 -0.99 121.76 131.13 1s20 s ALA 265 Ca -0.09 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.24 1s20 s ALA 265 Cb -0.13 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.52 1s20 s ALA 265 CO 0.03 0.26 -0.12 0.42 0.00 0.00 0.00 175.76 176.35 1s20 s ILE 266 N 0.06 1.16 0.48 0.00 1.01 -0.49 -1.06 121.20 122.36 1s20 s ILE 266 Ca -0.04 -0.48 -0.24 0.00 0.00 0.00 0.00 60.65 59.90 1s20 s ILE 266 Cb -0.11 -1.07 -0.07 0.00 0.01 0.00 0.00 42.46 41.21 1s20 s ILE 266 CO 0.02 0.37 1.30 -0.70 0.00 0.00 0.00 174.94 175.93 1s20 s GLU 267 N 0.79 3.58 0.12 2.79 2.56 -0.01 -1.21 118.70 127.32 1s20 s GLU 267 Ca -0.12 2.11 0.00 0.00 0.00 0.00 0.00 54.97 56.96 1s20 s GLU 267 Cb -0.15 -2.47 0.00 0.00 2.00 0.00 0.00 34.13 33.50 1s20 s GLU 267 CO 0.02 -0.80 0.00 0.28 -0.56 0.00 0.00 175.26 174.21 1s20 n VAL 268 N -0.49 0.55 -0.07 3.70 0.31 -1.26 -4.85 118.33 116.22 1s20 n VAL 268 Ca 0.07 0.18 0.24 0.00 -0.01 0.00 0.00 64.34 64.83 1s20 n VAL 268 Cb 0.45 -1.18 0.72 0.00 -0.91 0.00 0.00 33.84 32.91 1s20 n VAL 268 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1s20 h ASP 269 N 0.00 0.00 -0.19 4.52 3.32 -1.80 0.18 116.42 122.45 1s20 h ASP 269 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1s20 h ASP 269 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1s20 h ASP 269 CO 0.00 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.81 1s20 n LYS 270 N -4.19 1.75 0.00 3.56 5.02 -1.26 -3.50 118.16 119.55 1s20 n LYS 270 Ca 0.13 -0.82 0.00 0.00 -2.02 0.00 0.00 58.31 55.60 1s20 n LYS 270 Cb 0.78 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.40 1s20 n LYS 270 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1s20 n LEU 271 N 0.15 0.00 -3.71 -0.35 4.77 0.61 -5.06 117.00 113.40 1s20 n LEU 271 Ca 0.07 -0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 1s20 n LEU 271 Cb 0.32 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 1s20 n LEU 271 CO 0.07 0.00 0.07 -0.51 -1.33 0.00 0.00 177.39 175.69 1s20 s ILE 272 N -1.07 -0.01 0.70 -0.08 2.07 -0.96 -5.13 121.20 116.71 1s20 s ILE 272 Ca 0.00 0.05 -0.16 0.00 -1.41 0.00 0.00 60.65 59.13 1s20 s ILE 272 Cb 0.00 -0.60 0.01 0.00 0.13 0.00 0.00 42.46 42.00 1s20 s ILE 272 CO 0.00 0.02 1.19 0.47 -1.91 0.00 0.00 174.94 174.71 1s20 n ASP 273 N 3.69 1.43 0.12 4.50 10.43 -1.26 -4.41 116.55 131.05 1s20 n ASP 273 Ca -0.19 0.73 -0.13 0.00 2.57 0.00 0.00 54.79 57.77 1s20 n ASP 273 Cb 0.56 -1.51 -0.07 0.00 1.84 0.00 0.00 41.12 41.95 1s20 n ASP 273 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 1s20 h GLY 274 N 0.00 -0.28 1.30 0.44 0.00 -1.99 0.20 103.07 102.74 1s20 h GLY 274 Ca -0.49 0.14 0.01 0.00 0.00 0.00 0.00 47.33 46.98 1s20 h GLY 274 CO 0.50 -0.13 0.47 -2.55 0.00 0.00 0.00 176.54 174.83 1s20 h PRO 275 N -0.29 0.95 -0.09 4.80 0.11 -2.00 -1.34 132.00 134.14 1s20 h PRO 275 Ca -0.01 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.00 1s20 h PRO 275 Cb 0.26 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.16 1s20 h PRO 275 CO -0.01 0.63 -0.12 1.15 -0.21 0.00 0.00 178.00 179.43 1s20 h THR 276 N 0.97 1.38 -0.50 -1.15 2.02 -1.88 -1.94 112.91 111.82 1s20 h THR 276 Ca 0.26 -1.35 0.09 0.00 0.77 0.00 0.00 66.41 66.18 1s20 h THR 276 Cb -0.11 2.06 -0.07 0.00 -1.74 0.00 0.00 68.15 68.29 1s20 h THR 276 CO -0.06 0.38 0.09 -0.09 0.37 0.00 0.00 175.52 176.21 1s20 h ARG 277 N -0.20 0.22 -0.63 6.66 1.12 -0.30 0.22 114.38 121.47 1s20 h ARG 277 Ca 0.01 -0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 58.79 1s20 h ARG 277 Cb 0.67 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.56 1s20 h ARG 277 CO 0.03 0.14 0.11 -0.44 -3.11 0.00 0.00 179.97 176.70 1s20 h ASP 278 N 0.22 1.01 -0.03 -3.80 3.32 -1.23 -1.02 116.42 114.88 1s20 h ASP 278 Ca 0.25 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1s20 h ASP 278 Cb 0.34 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1s20 h ASP 278 CO -0.34 1.01 -0.00 0.00 -1.72 0.00 0.00 179.24 178.19 1s20 h ALA 279 N 1.03 0.04 -0.40 3.45 0.00 -0.59 0.17 119.26 122.97 1s20 h ALA 279 Ca 0.19 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1s20 h ALA 279 Cb 0.43 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1s20 h ALA 279 CO 0.01 -0.28 0.24 0.87 0.00 0.00 0.00 179.25 180.09 1s20 h LYS 280 N -0.26 0.54 -0.64 0.00 1.57 -0.57 -0.80 116.57 116.40 1s20 h LYS 280 Ca 0.01 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1s20 h LYS 280 Cb 0.35 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1s20 h LYS 280 CO 0.00 0.41 0.09 -0.07 -0.57 0.00 0.00 179.45 179.31 1s20 h LEU 281 N 0.52 1.02 -0.64 2.94 4.07 -1.19 -2.62 115.31 119.41 1s20 h LEU 281 Ca 0.14 -0.25 -0.07 0.00 0.08 0.00 0.00 57.88 57.79 1s20 h LEU 281 Cb 0.01 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.45 1s20 h LEU 281 CO -0.03 1.03 0.14 -0.61 -1.08 0.00 0.00 178.44 177.89 1s20 h GLN 282 N 1.00 1.04 -0.81 1.13 5.75 -0.66 -2.85 115.11 119.71 1s20 h GLN 282 Ca 0.20 -0.26 -0.04 0.00 -0.15 0.00 0.00 58.65 58.40 1s20 h GLN 282 Cb 0.45 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.83 1s20 h GLN 282 CO 0.01 0.95 0.35 -0.09 -2.65 0.00 0.00 178.83 177.40 1s20 h ARG 283 N 0.96 1.19 -0.14 1.69 2.43 -0.98 -0.64 114.38 118.89 1s20 h ARG 283 Ca 0.20 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1s20 h ARG 283 Cb 0.39 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1s20 h ARG 283 CO 0.01 0.94 0.00 -0.89 -1.51 0.00 0.00 179.97 178.51 1s20 n ILE 284 N -4.29 0.00 0.00 1.20 5.41 -1.00 -1.16 119.36 119.52 1s20 n ILE 284 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.83 1s20 n ILE 284 Cb 0.17 -0.17 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1s20 n ILE 284 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1s20 n ASP 286 N 0.19 0.00 0.23 4.38 8.00 -0.25 -2.15 116.55 126.95 1s20 n ASP 286 Ca 0.00 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.56 1s20 n ASP 286 Cb 0.04 0.00 0.52 0.00 -0.02 0.00 0.00 41.12 41.65 1s20 n ASP 286 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1s20 h TYR 287 N 0.00 0.00 0.00 1.24 -0.00 -1.36 -0.62 116.97 116.23 1s20 h TYR 287 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.73 58.64 1s20 h TYR 287 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.72 1s20 h TYR 287 CO 0.00 0.18 -0.51 0.28 -0.00 0.00 0.00 178.16 178.12 1s20 h VAL 288 N 0.00 1.18 0.00 1.81 2.07 -1.69 -3.35 116.25 116.27 1s20 h VAL 288 Ca -0.00 -2.07 0.00 0.00 0.82 0.00 0.00 66.70 65.45 1s20 h VAL 288 Cb 0.33 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1s20 h VAL 288 CO 0.02 0.40 0.00 0.35 0.02 0.00 0.00 177.57 178.37 1s20 n THR 289 N -4.56 0.88 0.79 2.57 -2.24 -1.17 -2.70 114.28 107.86 1s20 n THR 289 Ca -0.17 0.23 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 1s20 n THR 289 Cb 0.50 -1.08 0.13 0.00 -2.10 0.00 0.00 70.33 67.78 1s20 n THR 289 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1s20 n SER 290 N -1.94 3.12 -4.76 3.42 3.41 -0.25 -4.71 113.62 111.91 1s20 n SER 290 Ca 0.03 -1.99 -0.37 0.00 -0.26 0.00 0.00 58.87 56.27 1s20 n SER 290 Cb 0.21 -0.07 0.02 0.00 -0.26 0.00 0.00 64.21 64.10 1s20 n SER 290 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s20 s ALA 291 N -1.83 2.85 -0.07 7.33 0.00 -1.10 -4.89 121.76 124.04 1s20 s ALA 291 Ca 0.31 1.09 -0.33 0.00 0.00 0.00 0.00 51.96 53.03 1s20 s ALA 291 Cb 0.21 -3.46 -0.11 0.00 0.00 0.00 0.00 23.12 19.76 1s20 s ALA 291 CO 0.30 -1.00 1.94 -1.91 0.00 0.00 0.00 175.76 175.08 1s20 n GLU 292 N -0.87 2.31 -2.31 0.00 2.13 -1.26 -4.91 120.64 115.72 1s20 n GLU 292 Ca 0.09 0.83 -0.37 0.00 0.66 0.00 0.00 57.16 58.38 1s20 n GLU 292 Cb 0.47 -2.76 -0.01 0.00 0.27 0.00 0.00 31.44 29.41 1s20 n GLU 292 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1s20 s ARG 293 N 4.38 3.80 0.22 5.31 0.52 -1.26 -4.95 118.95 126.97 1s20 s ARG 293 Ca 0.93 1.71 0.01 0.00 -0.52 0.00 0.00 55.73 57.86 1s20 s ARG 293 Cb -0.62 -2.39 0.20 0.00 0.52 0.00 0.00 34.95 32.66 1s20 s ARG 293 CO 0.49 -0.50 1.54 0.00 0.02 0.00 0.00 175.30 176.85 1s20 h ALA 294 N 2.05 0.79 -3.37 2.13 0.00 -1.91 -3.39 119.26 115.57 1s20 h ALA 294 Ca -0.49 -0.52 -0.54 0.00 0.00 0.00 0.00 54.91 53.36 1s20 h ALA 294 Cb 1.24 -0.08 -0.39 0.00 0.00 0.00 0.00 17.79 18.56 1s20 h ALA 294 CO 0.60 0.70 -0.77 0.34 0.00 0.00 0.00 179.25 180.12 1s20 s ASP 295 N -6.91 3.05 0.37 0.00 -1.08 -1.26 -5.03 116.67 105.80 1s20 s ASP 295 Ca -0.06 -0.84 0.12 0.00 -0.52 0.00 0.00 52.55 51.25 1s20 s ASP 295 Cb 0.12 -0.77 0.91 0.00 -1.46 0.00 0.00 42.92 41.71 1s20 s ASP 295 CO 0.82 -0.26 1.84 -0.08 0.52 0.00 0.00 175.17 178.00 1s20 h GLU 296 N 8.16 0.57 -0.00 4.34 4.57 -2.00 0.43 114.58 130.65 1s20 h GLU 296 Ca -0.18 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 57.83 1s20 h GLU 296 Cb 1.11 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.55 1s20 h GLU 296 CO 0.36 0.38 -0.63 -0.91 -1.18 0.00 0.00 179.01 177.03 1s20 h ASN 297 N 0.59 0.02 -3.58 1.04 2.35 -1.97 -3.41 115.58 110.61 1s20 h ASN 297 Ca 0.49 -0.01 -0.64 0.00 -0.55 0.00 0.00 56.30 55.59 1s20 h ASN 297 Cb 0.95 -0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.17 1s20 h ASN 297 CO -0.23 0.65 0.07 -1.10 -1.65 0.00 0.00 177.43 175.17 1s20 s GLN 298 N -3.58 3.59 0.42 0.81 -1.52 0.14 -5.05 119.66 114.46 1s20 s GLN 298 Ca -0.01 -0.09 -0.19 0.00 -1.95 0.00 0.00 55.36 53.12 1s20 s GLN 298 Cb 0.13 -3.83 -0.10 0.00 -0.22 0.00 0.00 33.01 28.98 1s20 s GLN 298 CO 0.77 -0.75 0.90 0.00 -0.25 0.00 0.00 175.29 175.96 1s20 s ALA 299 N 2.62 3.12 0.13 6.09 0.00 -1.26 -4.52 121.76 127.93 1s20 s ALA 299 Ca 0.22 0.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.15 1s20 s ALA 299 Cb -0.15 -3.05 -0.07 0.00 0.00 0.00 0.00 23.12 19.86 1s20 s ALA 299 CO 0.15 0.13 1.12 0.42 0.00 0.00 0.00 175.76 177.58 1s20 s ILE 300 N -2.20 4.00 0.16 0.00 1.01 -1.26 -5.04 121.20 117.87 1s20 s ILE 300 Ca 0.59 1.60 0.10 0.00 0.00 0.00 0.00 60.65 62.94 1s20 s ILE 300 Cb -0.09 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 1s20 s ILE 300 CO 0.17 0.22 -0.18 0.00 0.00 0.00 0.00 174.94 175.14 1s20 s ARG 301 N 0.18 1.75 0.10 2.79 1.70 -1.26 -4.77 118.95 119.43 1s20 s ARG 301 Ca 0.52 -1.32 -0.04 0.00 -0.47 0.00 0.00 55.73 54.42 1s20 s ARG 301 Cb -0.29 -2.03 -0.05 0.00 -0.57 0.00 0.00 34.95 32.02 1s20 s ARG 301 CO 0.33 0.44 0.31 -0.51 -1.08 0.00 0.00 175.30 174.79 1s20 s LEU 302 N -2.48 4.31 0.27 -1.89 1.43 -1.26 -5.02 118.68 114.04 1s20 s LEU 302 Ca 0.20 0.49 -0.31 0.00 -1.03 0.00 0.00 54.13 53.49 1s20 s LEU 302 Cb -0.09 -3.11 -0.12 0.00 0.03 0.00 0.00 46.19 42.91 1s20 s LEU 302 CO 0.11 0.12 1.65 -0.81 0.23 0.00 0.00 176.35 177.65 1s20 n PRO 303 N 0.32 2.77 0.00 1.29 -0.04 -1.26 -2.59 135.00 135.48 1s20 n PRO 303 Ca -0.05 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 1s20 n PRO 303 Cb 0.52 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.18 1s20 n PRO 303 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s20 n GLY 304 N 2.77 2.96 0.33 0.55 0.00 -1.26 -4.46 105.19 106.09 1s20 n GLY 304 Ca 0.11 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.30 1s20 n GLY 304 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1s20 h HIS 305 N 0.00 0.00 0.00 1.61 3.86 -1.65 -1.09 115.15 117.88 1s20 h HIS 305 Ca 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 1s20 h HIS 305 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1s20 h HIS 305 CO 0.00 0.00 -0.35 1.05 0.86 0.00 0.00 177.93 179.49 1s20 h GLU 306 N 0.00 0.00 0.00 2.45 9.09 -1.89 -2.82 114.58 121.41 1s20 h GLU 306 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.47 1s20 h GLU 306 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.48 1s20 h GLU 306 CO -0.00 0.35 0.00 1.19 0.05 0.00 0.00 179.01 180.60 1s20 n PHE 307 N -3.59 0.03 -0.06 2.06 3.72 -0.41 0.01 117.46 119.21 1s20 n PHE 307 Ca -0.01 0.01 -0.22 0.00 -0.05 0.00 0.00 57.45 57.19 1s20 n PHE 307 Cb 0.48 -0.52 -0.13 0.00 -0.94 0.00 0.00 39.48 38.37 1s20 n PHE 307 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1s20 n THR 308 N -1.53 1.64 -0.05 4.37 -1.04 -1.07 -3.67 114.28 112.94 1s20 n THR 308 Ca 0.03 -0.43 -0.15 0.00 -2.04 0.00 0.00 64.05 61.46 1s20 n THR 308 Cb 0.13 -1.80 -0.07 0.00 -1.82 0.00 0.00 70.33 66.77 1s20 n THR 308 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1s20 h THR 309 N -0.38 1.34 -0.37 12.58 1.35 -1.43 -2.89 112.91 123.12 1s20 h THR 309 Ca -0.45 -1.65 0.03 0.00 -0.55 0.00 0.00 66.41 63.79 1s20 h THR 309 Cb 1.75 1.96 -0.03 0.00 -1.73 0.00 0.00 68.15 70.10 1s20 h THR 309 CO -0.08 0.50 0.17 -0.07 -0.25 0.00 0.00 175.52 175.79 1s20 h LEU 310 N 0.21 0.23 -0.02 3.87 3.38 -0.63 -1.40 115.31 120.96 1s20 h LEU 310 Ca -0.00 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1s20 h LEU 310 Cb 1.00 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 1s20 h LEU 310 CO 0.09 0.17 -0.15 0.25 0.09 0.00 0.00 178.44 178.89 1s20 h LEU 311 N 0.35 -0.43 -1.28 1.67 6.46 -1.63 -1.81 115.31 118.64 1s20 h LEU 311 Ca 0.16 0.07 0.09 0.00 -0.12 0.00 0.00 57.88 58.08 1s20 h LEU 311 Cb 0.09 0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 40.15 1s20 h LEU 311 CO -0.13 -0.20 0.54 0.00 -0.62 0.00 0.00 178.44 178.03 1s20 h ALA 312 N 0.72 1.69 -0.43 1.25 0.00 -1.27 -1.73 119.26 119.50 1s20 h ALA 312 Ca 0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1s20 h ALA 312 Cb 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1s20 h ALA 312 CO -0.15 0.14 -0.03 0.93 0.00 0.00 0.00 179.25 180.14 1s20 h GLU 313 N 0.81 0.77 -0.02 0.00 4.39 -0.54 -3.03 114.58 116.96 1s20 h GLU 313 Ca 0.38 -0.26 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 1s20 h GLU 313 Cb 0.40 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1s20 h GLU 313 CO -0.15 0.86 -0.47 -0.91 -1.16 0.00 0.00 179.01 177.18 1s20 h ASN 314 N 0.61 0.05 0.00 1.42 -0.26 -0.71 0.12 115.58 116.80 1s20 h ASN 314 Ca 0.12 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1s20 h ASN 314 Cb 0.53 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.78 1s20 h ASN 314 CO 0.03 0.51 0.00 0.54 -1.06 0.00 0.00 177.43 177.45 1s20 n ARG 315 N -3.98 0.87 0.05 0.81 1.74 -0.71 -1.61 116.66 113.84 1s20 n ARG 315 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1s20 n ARG 315 Cb 0.49 -1.00 0.00 0.00 -1.02 0.00 0.00 32.46 30.93 1s20 n ARG 315 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1s20 n ARG 316 N -0.50 0.00 -0.22 5.56 1.74 -0.86 -4.80 116.66 117.57 1s20 n ARG 316 Ca 0.00 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.14 1s20 n ARG 316 Cb 0.00 -0.21 0.18 0.00 -1.02 0.00 0.00 32.46 31.41 1s20 n ARG 316 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1s20 n ASN 317 N -3.10 2.24 -0.53 0.55 3.02 0.38 -5.03 115.26 112.78 1s20 n ASN 317 Ca 0.00 -2.04 0.06 0.00 -0.03 0.00 0.00 54.58 52.58 1s20 n ASN 317 Cb 0.11 -0.29 -0.04 0.00 -0.61 0.00 0.00 39.78 38.95 1s20 n ASN 317 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s20 n GLY 318 N 1.07 -2.90 3.82 7.41 0.00 -0.63 -4.92 105.19 109.04 1s20 n GLY 318 Ca 0.13 -1.30 -0.38 0.00 0.00 0.00 0.00 46.02 44.48 1s20 n GLY 318 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s20 s ILE 319 N -3.47 4.71 -0.10 -0.61 1.09 -1.21 -4.61 121.20 117.00 1s20 s ILE 319 Ca 0.00 1.19 0.02 0.00 -1.10 0.00 0.00 60.65 60.76 1s20 s ILE 319 Cb 0.00 -3.88 0.01 0.00 -1.06 0.00 0.00 42.46 37.53 1s20 s ILE 319 CO 0.00 0.44 -0.16 0.42 -0.10 0.00 0.00 174.94 175.55 1s20 s THR 320 N -1.24 1.50 0.16 2.92 -4.23 -1.26 -0.32 115.64 113.17 1s20 s THR 320 Ca 0.33 -0.66 0.09 0.00 -1.18 0.00 0.00 61.69 60.27 1s20 s THR 320 Cb -0.18 -1.36 -0.04 0.00 1.34 0.00 0.00 72.50 72.25 1s20 s THR 320 CO 0.20 0.44 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.88 1s20 s VAL 321 N 0.82 2.96 0.11 2.29 1.01 -1.26 -4.98 120.40 121.36 1s20 s VAL 321 Ca -0.10 -1.66 -0.31 0.00 0.00 0.00 0.00 61.98 59.91 1s20 s VAL 321 Cb -0.16 -2.42 -0.09 0.00 0.00 0.00 0.00 36.38 33.71 1s20 s VAL 321 CO 0.01 -0.04 1.67 -1.81 0.00 0.00 0.00 175.10 174.92 1s20 s ASP 322 N -2.58 6.55 0.15 3.32 -0.00 -1.26 -4.67 116.67 118.18 1s20 s ASP 322 Ca 0.22 2.60 -0.27 0.00 -0.00 0.00 0.00 52.55 55.10 1s20 s ASP 322 Cb -0.09 -2.57 -0.00 0.00 -0.00 0.00 0.00 42.92 40.25 1s20 s ASP 322 CO 0.13 -0.90 1.58 0.44 -0.00 0.00 0.00 175.17 176.43 1s20 h ASP 323 N 7.85 -1.28 -0.87 0.27 3.45 -1.98 0.36 116.42 124.22 1s20 h ASP 323 Ca -0.43 0.19 0.20 0.00 0.43 0.00 0.00 57.03 57.43 1s20 h ASP 323 Cb 1.20 0.56 -0.06 0.00 -0.56 0.00 0.00 39.33 40.47 1s20 h ASP 323 CO 0.93 -0.37 0.58 0.77 -1.57 0.00 0.00 179.24 179.58 1s20 h SER 324 N -0.36 0.32 0.04 6.45 4.64 -1.99 0.37 113.55 123.02 1s20 h SER 324 Ca 0.12 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1s20 h SER 324 Cb 0.58 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1s20 h SER 324 CO -0.50 0.13 -0.02 0.58 -0.87 0.00 0.00 176.83 176.15 1s20 h VAL 325 N 0.32 1.34 -0.67 0.95 2.07 -1.14 -2.99 116.25 116.12 1s20 h VAL 325 Ca 0.44 -1.60 0.02 0.00 0.82 0.00 0.00 66.70 66.38 1s20 h VAL 325 Cb 1.22 2.34 -0.04 0.00 -1.52 0.00 0.00 31.29 33.29 1s20 h VAL 325 CO -0.14 0.38 0.43 -0.25 0.02 0.00 0.00 177.57 178.02 1s20 h TRP 326 N -0.81 0.82 -0.97 1.57 2.91 0.59 -2.00 115.95 118.06 1s20 h TRP 326 Ca -0.01 0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.10 1s20 h TRP 326 Cb 0.67 -0.27 -0.06 0.00 -0.51 0.00 0.00 29.16 28.98 1s20 h TRP 326 CO 0.16 0.49 0.63 0.00 -1.03 0.00 0.00 178.44 178.69 1s20 h ALA 327 N 1.27 1.44 -0.60 2.65 0.00 -0.40 -1.43 119.26 122.19 1s20 h ALA 327 Ca 0.26 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1s20 h ALA 327 Cb -0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1s20 h ALA 327 CO -0.08 0.41 0.23 -0.22 0.00 0.00 0.00 179.25 179.59 1s20 h LYS 328 N 1.13 0.91 -0.01 0.00 3.64 -1.22 -2.56 116.57 118.46 1s20 h LYS 328 Ca 0.42 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1s20 h LYS 328 Cb 0.18 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1s20 h LYS 328 CO -0.16 0.78 -0.02 0.82 -2.27 0.00 0.00 179.45 178.60 1s20 h ILE 329 N 0.84 0.95 -0.94 2.00 2.04 -0.79 -2.12 117.51 119.49 1s20 h ILE 329 Ca 0.20 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.21 1s20 h ILE 329 Cb 0.22 0.95 -0.08 0.00 -0.74 0.00 0.00 36.82 37.17 1s20 h ILE 329 CO -0.01 0.00 0.60 1.56 0.00 0.00 0.00 178.15 180.30 1s20 h GLN 330 N -0.03 0.76 -0.72 2.37 1.08 -1.25 -0.46 115.11 116.86 1s20 h GLN 330 Ca 0.01 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.20 1s20 h GLN 330 Cb 0.05 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.26 1s20 h GLN 330 CO -0.03 0.50 0.47 0.00 -0.95 0.00 0.00 178.83 178.83 1s20 h ALA 331 N 1.59 1.58 0.00 3.87 0.00 -0.96 -1.41 119.26 123.93 1s20 h ALA 331 Ca 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1s20 h ALA 331 Cb 0.70 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1s20 h ALA 331 CO -0.25 0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.63 1s20 n LEU 332 N -4.45 0.00 -4.70 0.00 4.77 -0.18 -4.49 117.00 107.95 1s20 n LEU 332 Ca 0.09 0.38 -0.36 0.00 -0.03 0.00 0.00 56.01 56.09 1s20 n LEU 332 Cb 0.12 -0.38 -0.09 0.00 -2.33 0.00 0.00 43.42 40.75 1s20 n LEU 332 CO 0.35 -0.38 -0.16 -0.76 -1.33 0.00 0.00 177.39 175.11 1s20 s LEU 333 N -2.75 4.17 0.00 2.23 1.02 -0.53 -4.97 118.68 117.85 1s20 s LEU 333 Ca 0.00 0.21 0.00 0.00 0.02 0.00 0.00 54.13 54.36 1s20 s LEU 333 Cb 0.00 -2.13 0.00 0.00 0.02 0.00 0.00 46.19 44.08 1s20 s LEU 333 CO 0.00 0.12 0.00 -0.62 0.02 0.00 0.00 176.35 175.87