#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jt6 h LEU 3 N 0.00 0.00 0.40 -4.53 3.38 -1.99 -2.62 115.31 109.96 1jt6 h LEU 3 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1jt6 h LEU 3 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1jt6 h LEU 3 CO 0.00 0.59 -0.19 0.50 0.09 0.00 0.00 178.44 179.43 1jt6 h LYS 4 N 0.00 -0.52 -0.78 1.13 3.64 -1.99 -0.43 116.57 117.62 1jt6 h LYS 4 Ca -0.01 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1jt6 h LYS 4 Cb 1.32 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 33.22 1jt6 h LYS 4 CO 0.08 -0.30 0.51 -0.44 -2.27 0.00 0.00 179.45 177.03 1jt6 h ASP 5 N -0.61 0.84 0.10 4.20 3.45 -1.99 0.13 116.42 122.54 1jt6 h ASP 5 Ca -0.05 -0.01 -0.08 0.00 0.43 0.00 0.00 57.03 57.31 1jt6 h ASP 5 Cb 0.46 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 1jt6 h ASP 5 CO 0.09 0.58 -0.27 0.11 -1.57 0.00 0.00 179.24 178.18 1jt6 h LYS 6 N 0.98 0.28 -0.02 3.56 1.57 -1.18 -0.98 116.57 120.76 1jt6 h LYS 6 Ca 0.30 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1jt6 h LYS 6 Cb 0.01 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1jt6 h LYS 6 CO -0.08 0.54 -0.03 0.82 -0.57 0.00 0.00 179.45 180.12 1jt6 h ILE 7 N 0.25 1.40 -0.88 1.86 1.08 0.42 -2.00 117.51 119.64 1jt6 h ILE 7 Ca 0.04 -1.22 0.04 0.00 -0.39 0.00 0.00 64.86 63.33 1jt6 h ILE 7 Cb 0.62 2.17 -0.06 0.00 -3.07 0.00 0.00 36.82 36.48 1jt6 h ILE 7 CO 0.04 0.32 0.56 -0.07 -0.69 0.00 0.00 178.15 178.32 1jt6 h LEU 8 N -0.42 0.92 -0.24 1.44 3.38 -0.68 -1.03 115.31 118.68 1jt6 h LEU 8 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1jt6 h LEU 8 Cb 0.54 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1jt6 h LEU 8 CO 0.01 0.62 -0.27 1.23 0.09 0.00 0.00 178.44 180.11 1jt6 h GLY 9 N 1.07 0.66 0.91 0.83 0.00 -1.17 -1.94 103.07 103.43 1jt6 h GLY 9 Ca 0.36 -0.69 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 1jt6 h GLY 9 CO -0.13 0.63 0.08 -2.08 0.00 0.00 0.00 176.54 175.03 1jt6 h VAL 10 N 0.30 1.22 0.06 4.60 2.07 -1.22 -2.69 116.25 120.58 1jt6 h VAL 10 Ca 0.03 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1jt6 h VAL 10 Cb 0.84 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1jt6 h VAL 10 CO 0.07 0.25 -0.03 0.00 0.02 0.00 0.00 177.57 177.88 1jt6 h ALA 11 N 0.92 -0.07 -0.73 1.67 0.00 -1.22 -0.90 119.26 118.93 1jt6 h ALA 11 Ca 0.11 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.12 1jt6 h ALA 11 Cb 0.30 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.00 1jt6 h ALA 11 CO 0.00 -0.50 0.12 -0.22 0.00 0.00 0.00 179.25 178.65 1jt6 h LYS 12 N -0.16 0.20 -0.54 0.00 3.64 -1.33 0.54 116.57 118.93 1jt6 h LYS 12 Ca -0.01 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1jt6 h LYS 12 Cb 0.14 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1jt6 h LYS 12 CO 0.01 0.13 0.02 0.93 -2.27 0.00 0.00 179.45 178.28 1jt6 h GLU 13 N 0.21 0.93 -0.41 1.90 4.39 -1.20 -1.14 114.58 119.27 1jt6 h GLU 13 Ca 0.41 -0.28 -0.10 0.00 0.34 0.00 0.00 59.36 59.73 1jt6 h GLU 13 Cb 0.71 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1jt6 h GLU 13 CO -0.55 0.94 -0.13 -0.07 -1.16 0.00 0.00 179.01 178.04 1jt6 h LEU 14 N 0.81 0.81 -1.36 1.33 3.38 0.23 0.23 115.31 120.75 1jt6 h LEU 14 Ca 0.16 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1jt6 h LEU 14 Cb 0.50 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1jt6 h LEU 14 CO 0.02 1.00 0.31 -0.26 0.09 0.00 0.00 178.44 179.61 1jt6 h PHE 15 N 0.62 0.73 -0.20 1.13 0.05 0.18 0.65 116.94 120.09 1jt6 h PHE 15 Ca 0.10 -0.00 -0.12 0.00 3.82 0.00 0.00 57.97 61.77 1jt6 h PHE 15 Cb 0.66 -0.24 0.00 0.00 2.00 0.00 0.00 35.95 38.37 1jt6 h PHE 15 CO 0.05 0.50 -0.36 0.82 -0.18 0.00 0.00 178.31 179.15 1jt6 h ILE 16 N 0.76 1.33 -0.23 -0.55 2.04 -0.79 0.42 117.51 120.49 1jt6 h ILE 16 Ca 0.20 -1.58 -0.13 0.00 1.00 0.00 0.00 64.86 64.35 1jt6 h ILE 16 Cb -0.00 1.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1jt6 h ILE 16 CO -0.03 0.49 -0.36 0.50 0.00 0.00 0.00 178.15 178.75 1jt6 h LYS 17 N 0.26 0.65 0.00 2.37 3.64 0.09 -3.39 116.57 120.20 1jt6 h LYS 17 Ca 0.01 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1jt6 h LYS 17 Cb 0.95 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1jt6 h LYS 17 CO 0.08 1.01 -1.63 0.09 -2.27 0.00 0.00 179.45 176.73 1jt6 n ASN 18 N -4.25 1.83 0.00 4.20 5.03 0.22 -5.07 115.26 117.22 1jt6 n ASN 18 Ca -0.05 -0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.40 1jt6 n ASN 18 Cb 0.51 1.63 0.00 0.00 -1.02 0.00 0.00 39.78 40.90 1jt6 n ASN 18 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jt6 n GLY 19 N 1.71 0.38 0.07 7.41 0.00 0.14 -4.40 105.19 110.50 1jt6 n GLY 19 Ca -0.03 -2.00 -0.13 0.00 0.00 0.00 0.00 46.02 43.87 1jt6 n GLY 19 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1jt6 h TYR 20 N 0.00 -0.03 -0.81 1.61 3.20 -1.77 -3.32 116.97 115.85 1jt6 h TYR 20 Ca 0.00 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.95 1jt6 h TYR 20 Cb 0.00 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.21 1jt6 h TYR 20 CO 0.00 0.66 0.47 -0.91 -1.64 0.00 0.00 178.16 176.74 1jt6 h ASN 21 N -0.78 0.70 -0.26 -2.11 2.35 -1.92 -2.82 115.58 110.75 1jt6 h ASN 21 Ca -0.00 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1jt6 h ASN 21 Cb 0.71 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1jt6 h ASN 21 CO 0.01 0.43 0.00 0.00 -1.65 0.00 0.00 177.43 176.21 1jt6 n ALA 22 N -2.37 2.57 -3.07 -0.83 0.00 -1.26 -4.78 120.51 110.78 1jt6 n ALA 22 Ca 0.12 -0.52 -0.35 0.00 0.00 0.00 0.00 53.44 52.69 1jt6 n ALA 22 Cb 0.23 -0.99 -0.12 0.00 0.00 0.00 0.00 19.45 18.56 1jt6 n ALA 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jt6 s THR 23 N -1.64 4.04 0.21 0.00 2.01 -1.06 -4.98 115.64 114.22 1jt6 s THR 23 Ca 0.19 -0.28 0.08 0.00 0.31 0.00 0.00 61.69 61.98 1jt6 s THR 23 Cb 0.11 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 1jt6 s THR 23 CO 0.11 0.42 0.02 0.42 -0.69 0.00 0.00 174.62 174.91 1jt6 s THR 24 N 1.00 3.72 0.45 -0.82 -4.23 -1.26 -5.00 115.64 109.50 1jt6 s THR 24 Ca 0.02 -1.58 0.18 0.00 -1.18 0.00 0.00 61.69 59.13 1jt6 s THR 24 Cb -0.14 -2.93 0.37 0.00 1.34 0.00 0.00 72.50 71.14 1jt6 s THR 24 CO 0.02 -0.23 1.93 0.00 -0.54 0.00 0.00 174.62 175.80 1jt6 h THR 25 N 2.15 0.77 -0.21 3.99 1.03 -1.99 -2.24 112.91 116.40 1jt6 h THR 25 Ca -0.46 -0.11 -0.10 0.00 -0.01 0.00 0.00 66.41 65.73 1jt6 h THR 25 Cb 1.22 0.42 -0.00 0.00 -1.07 0.00 0.00 68.15 68.72 1jt6 h THR 25 CO 0.59 0.06 -0.25 1.23 -0.01 0.00 0.00 175.52 177.14 1jt6 h GLY 26 N 0.32 0.59 1.45 2.99 0.00 -1.98 -1.66 103.07 104.79 1jt6 h GLY 26 Ca 0.35 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 1jt6 h GLY 26 CO -0.10 0.56 0.00 -2.09 0.00 0.00 0.00 176.54 174.92 1jt6 h GLU 27 N 0.23 0.67 -0.76 4.80 4.81 -1.87 0.34 114.58 122.80 1jt6 h GLU 27 Ca 0.03 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.04 1jt6 h GLU 27 Cb 0.81 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 1jt6 h GLU 27 CO 0.06 0.69 0.25 0.82 -0.73 0.00 0.00 179.01 180.10 1jt6 h ILE 28 N 0.64 1.26 0.01 2.32 2.04 -1.33 -2.15 117.51 120.29 1jt6 h ILE 28 Ca 0.13 -0.89 -0.24 0.00 1.00 0.00 0.00 64.86 64.86 1jt6 h ILE 28 Cb 0.39 0.42 0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1jt6 h ILE 28 CO 0.01 0.35 -0.98 1.62 0.00 0.00 0.00 178.15 179.16 1jt6 h VAL 29 N 1.12 1.38 0.74 1.67 3.04 -0.29 -1.85 116.25 122.05 1jt6 h VAL 29 Ca 0.25 -2.43 -0.04 0.00 -1.01 0.00 0.00 66.70 63.47 1jt6 h VAL 29 Cb 0.29 2.43 0.01 0.00 -2.01 0.00 0.00 31.29 32.01 1jt6 h VAL 29 CO -0.01 0.73 -0.35 0.50 -1.01 0.00 0.00 177.57 177.43 1jt6 h LYS 30 N 0.26 -0.95 0.00 4.17 3.64 -0.24 -2.08 116.57 121.37 1jt6 h LYS 30 Ca -0.09 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1jt6 h LYS 30 Cb 1.62 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.65 1jt6 h LYS 30 CO 0.17 -0.63 0.00 1.28 -2.27 0.00 0.00 179.45 178.01 1jt6 n LEU 31 N -5.51 0.16 -1.21 5.20 4.77 -0.82 -1.08 117.00 118.52 1jt6 n LEU 31 Ca -0.14 0.56 0.09 0.00 -0.03 0.00 0.00 56.01 56.49 1jt6 n LEU 31 Cb 0.40 -0.56 0.29 0.00 -2.33 0.00 0.00 43.42 41.21 1jt6 n LEU 31 CO 0.38 -0.51 0.75 -1.54 -1.33 0.00 0.00 177.39 175.14 1jt6 n SER 32 N -1.70 3.98 -4.02 -1.43 3.41 -0.70 -4.93 113.62 108.23 1jt6 n SER 32 Ca 0.01 -2.27 -0.39 0.00 -0.26 0.00 0.00 58.87 55.96 1jt6 n SER 32 Cb 0.08 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1jt6 n SER 32 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jt6 n GLU 33 N 0.94 -0.86 -1.89 4.33 1.02 -0.24 -4.85 120.64 119.09 1jt6 n GLU 33 Ca 0.21 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 1jt6 n GLU 33 Cb 0.70 -3.23 0.00 0.00 -0.02 0.00 0.00 31.44 28.88 1jt6 n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jt6 n SER 34 N -2.46 0.05 -4.23 1.62 2.88 -0.81 -5.07 113.62 105.58 1jt6 n SER 34 Ca -0.16 -0.94 -0.24 0.00 -1.33 0.00 0.00 58.87 56.20 1jt6 n SER 34 Cb 0.60 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.93 1jt6 n SER 34 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1jt6 s SER 35 N -0.89 2.31 0.27 -3.46 1.04 -1.26 -4.57 113.70 107.14 1jt6 s SER 35 Ca 0.00 -0.54 -0.00 0.00 0.48 0.00 0.00 55.95 55.89 1jt6 s SER 35 Cb 0.00 -0.17 0.53 0.00 0.10 0.00 0.00 66.02 66.48 1jt6 s SER 35 CO 0.00 0.12 1.81 0.11 0.98 0.00 0.00 173.24 176.25 1jt6 h LYS 36 N 4.75 0.82 -0.21 4.02 1.57 -1.92 0.43 116.57 126.02 1jt6 h LYS 36 Ca -0.42 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.36 1jt6 h LYS 36 Cb 1.17 -0.18 -0.06 0.00 0.08 0.00 0.00 32.23 33.23 1jt6 h LYS 36 CO 0.43 0.54 -0.17 0.78 -0.57 0.00 0.00 179.45 180.46 1jt6 h GLY 37 N 0.84 -0.04 1.00 3.86 0.00 -1.98 0.44 103.07 107.19 1jt6 h GLY 37 Ca 0.48 0.21 -0.00 0.00 0.00 0.00 0.00 47.33 48.01 1jt6 h GLY 37 CO -0.30 -0.17 0.35 -0.57 0.00 0.00 0.00 176.54 175.86 1jt6 h ASN 38 N -0.17 0.71 0.31 0.19 -1.24 -0.88 -1.02 115.58 113.48 1jt6 h ASN 38 Ca 0.12 -0.06 -0.00 0.00 0.71 0.00 0.00 56.30 57.07 1jt6 h ASN 38 Cb 0.36 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.21 1jt6 h ASN 38 CO -0.31 0.56 -0.29 0.25 -1.29 0.00 0.00 177.43 176.34 1jt6 h LEU 39 N 0.79 -0.79 -2.58 0.34 6.46 0.69 -1.93 115.31 118.30 1jt6 h LEU 39 Ca 0.21 0.07 0.01 0.00 -0.12 0.00 0.00 57.88 58.05 1jt6 h LEU 39 Cb -0.01 0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.18 1jt6 h LEU 39 CO -0.04 -0.43 0.07 1.88 -0.62 0.00 0.00 178.44 179.31 1jt6 h TYR 40 N -0.63 0.00 0.38 1.25 0.05 0.04 -1.59 116.97 116.47 1jt6 h TYR 40 Ca -0.02 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 1jt6 h TYR 40 Cb 0.57 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.32 1jt6 h TYR 40 CO -0.17 0.00 -0.18 -0.92 -1.05 0.00 0.00 178.16 175.83 1jt6 h TYR 41 N 0.00 -0.47 0.00 4.88 3.20 -0.41 -3.34 116.97 120.83 1jt6 h TYR 41 Ca 0.02 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 1jt6 h TYR 41 Cb 0.16 0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 1jt6 h TYR 41 CO 0.00 -0.18 -0.12 0.45 -1.64 0.00 0.00 178.16 176.67 1jt6 h HIS 42 N -1.03 0.00 -3.94 -3.82 3.86 -0.97 -3.42 115.15 105.83 1jt6 h HIS 42 Ca -0.05 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.90 1jt6 h HIS 42 Cb 0.51 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 28.75 1jt6 h HIS 42 CO 0.02 0.12 -0.73 -0.06 0.86 0.00 0.00 177.93 178.15 1jt6 s PHE 43 N -4.42 0.50 0.05 2.45 0.40 -0.66 -5.06 117.98 111.24 1jt6 s PHE 43 Ca -0.04 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 55.77 1jt6 s PHE 43 Cb 0.14 -0.31 -0.32 0.00 0.51 0.00 0.00 43.02 43.04 1jt6 s PHE 43 CO 0.62 -0.09 1.07 0.87 0.70 0.00 0.00 175.22 178.38 1jt6 h LYS 44 N 4.89 0.46 -4.33 0.44 1.57 -1.82 -3.34 116.57 114.44 1jt6 h LYS 44 Ca -0.33 -0.76 -0.19 0.00 -1.87 0.00 0.00 60.65 57.50 1jt6 h LYS 44 Cb 1.20 0.28 -0.13 0.00 0.08 0.00 0.00 32.23 33.66 1jt6 h LYS 44 CO 0.43 1.36 -0.47 0.95 -0.57 0.00 0.00 179.45 181.14 1jt6 s THR 45 N -2.68 0.00 0.22 -0.16 -4.23 -1.26 -4.86 115.64 102.67 1jt6 s THR 45 Ca -0.07 -1.83 -0.08 0.00 -1.18 0.00 0.00 61.69 58.52 1jt6 s THR 45 Cb 0.05 -2.42 0.18 0.00 1.34 0.00 0.00 72.50 71.65 1jt6 s THR 45 CO 0.92 0.00 1.85 0.50 -0.54 0.00 0.00 174.62 177.35 1jt6 h LYS 46 N 2.51 1.15 -0.67 3.99 3.64 -1.99 0.19 116.57 125.38 1jt6 h LYS 46 Ca -0.33 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 58.87 1jt6 h LYS 46 Cb 1.25 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 1jt6 h LYS 46 CO 0.48 0.83 0.18 1.49 -2.27 0.00 0.00 179.45 180.16 1jt6 h GLU 47 N 1.15 1.05 -0.22 1.90 4.22 -1.99 0.13 114.58 120.81 1jt6 h GLU 47 Ca 0.29 -0.23 -0.14 0.00 0.08 0.00 0.00 59.36 59.36 1jt6 h GLU 47 Cb 0.01 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1jt6 h GLU 47 CO -0.05 0.91 -0.45 -0.97 -2.18 0.00 0.00 179.01 176.28 1jt6 h ASN 48 N 1.00 0.60 -0.48 1.04 -1.24 -1.76 -1.60 115.58 113.14 1jt6 h ASN 48 Ca 0.21 -0.28 -0.00 0.00 0.71 0.00 0.00 56.30 56.94 1jt6 h ASN 48 Cb 0.33 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.18 1jt6 h ASN 48 CO -0.00 0.97 0.30 0.25 -1.29 0.00 0.00 177.43 177.65 1jt6 h LEU 49 N 0.45 0.58 -0.87 0.34 5.85 -0.26 -1.75 115.31 119.66 1jt6 h LEU 49 Ca 0.03 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1jt6 h LEU 49 Cb 0.96 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 1jt6 h LEU 49 CO 0.09 0.46 0.47 0.15 -0.34 0.00 0.00 178.44 179.26 1jt6 h PHE 50 N 0.65 1.20 -0.44 1.25 3.04 -0.37 -2.14 116.94 120.12 1jt6 h PHE 50 Ca 0.17 -0.03 -0.06 0.00 3.98 0.00 0.00 57.97 62.03 1jt6 h PHE 50 Cb -0.02 -0.38 -0.02 0.00 2.56 0.00 0.00 35.95 38.09 1jt6 h PHE 50 CO -0.03 0.83 0.01 1.25 -2.02 0.00 0.00 178.31 178.35 1jt6 h LEU 51 N 1.21 0.67 -0.42 0.59 5.85 -0.98 -1.54 115.31 120.69 1jt6 h LEU 51 Ca 0.30 -0.15 -0.15 0.00 0.84 0.00 0.00 57.88 58.73 1jt6 h LEU 51 Cb 0.04 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1jt6 h LEU 51 CO -0.05 0.73 -0.32 -0.33 -0.34 0.00 0.00 178.44 178.13 1jt6 h GLU 52 N 0.66 0.96 -0.81 1.25 5.08 -0.82 -0.35 114.58 120.56 1jt6 h GLU 52 Ca 0.14 -0.47 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1jt6 h GLU 52 Cb 0.40 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1jt6 h GLU 52 CO 0.01 1.13 0.42 0.82 -1.00 0.00 0.00 179.01 180.40 1jt6 h ILE 53 N 0.80 1.25 -0.50 3.13 2.04 -1.20 -1.58 117.51 121.44 1jt6 h ILE 53 Ca 0.08 -0.65 -0.12 0.00 1.00 0.00 0.00 64.86 65.17 1jt6 h ILE 53 Cb 0.91 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1jt6 h ILE 53 CO 0.08 0.28 -0.17 -0.07 0.00 0.00 0.00 178.15 178.28 1jt6 h LEU 54 N 1.14 1.01 -1.22 1.44 4.07 -0.99 -1.17 115.31 119.59 1jt6 h LEU 54 Ca 0.28 -0.36 -0.04 0.00 0.08 0.00 0.00 57.88 57.84 1jt6 h LEU 54 Cb 0.07 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.51 1jt6 h LEU 54 CO -0.04 1.15 0.09 0.78 -1.08 0.00 0.00 178.44 179.34 1jt6 h ASN 55 N 0.87 0.58 0.05 -0.43 4.21 -0.69 -1.87 115.58 118.31 1jt6 h ASN 55 Ca 0.12 -0.09 -0.00 0.00 1.21 0.00 0.00 56.30 57.54 1jt6 h ASN 55 Cb 0.74 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.79 1jt6 h ASN 55 CO 0.06 0.59 -0.03 0.40 -1.29 0.00 0.00 177.43 177.16 1jt6 h ILE 56 N 0.61 1.23 -0.59 2.81 2.04 -0.93 -2.70 117.51 119.98 1jt6 h ILE 56 Ca 0.14 -0.98 0.10 0.00 1.00 0.00 0.00 64.86 65.12 1jt6 h ILE 56 Cb 0.25 1.87 -0.08 0.00 -0.74 0.00 0.00 36.82 38.12 1jt6 h ILE 56 CO -0.00 0.24 0.16 -0.33 0.00 0.00 0.00 178.15 178.22 1jt6 h GLU 57 N -0.51 0.30 -0.07 2.37 4.39 -1.07 0.14 114.58 120.13 1jt6 h GLU 57 Ca -0.01 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.59 1jt6 h GLU 57 Cb 0.45 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1jt6 h GLU 57 CO 0.01 0.20 -0.34 1.05 -1.16 0.00 0.00 179.01 178.78 1jt6 h GLU 58 N 0.31 0.14 -0.10 2.33 -0.00 -1.34 0.87 114.58 116.79 1jt6 h GLU 58 Ca 0.30 -0.05 -0.19 0.00 -0.00 0.00 0.00 59.36 59.42 1jt6 h GLU 58 Cb 0.42 -0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 29.15 1jt6 h GLU 58 CO -0.35 0.46 -0.71 1.03 -0.00 0.00 0.00 179.01 179.44 1jt6 h SER 59 N 0.12 0.57 -0.48 3.06 0.87 -0.93 0.22 113.55 116.98 1jt6 h SER 59 Ca 0.02 -0.36 -0.14 0.00 -1.23 0.00 0.00 61.79 60.08 1jt6 h SER 59 Cb 0.66 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1jt6 h SER 59 CO 0.05 1.11 -0.23 0.11 -0.53 0.00 0.00 176.83 177.34 1jt6 h LYS 60 N 0.34 1.00 -0.64 2.24 1.79 -0.60 -0.39 116.57 120.31 1jt6 h LYS 60 Ca -0.03 -0.44 -0.09 0.00 -2.18 0.00 0.00 60.65 57.92 1jt6 h LYS 60 Cb 1.29 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.88 1jt6 h LYS 60 CO 0.13 1.12 0.05 2.35 -1.08 0.00 0.00 179.45 182.01 1jt6 h TRP 61 N 0.86 1.19 -0.39 -1.35 -0.00 -0.71 -0.30 115.95 115.26 1jt6 h TRP 61 Ca 0.11 -0.19 -0.09 0.00 -0.00 0.00 0.00 58.89 58.72 1jt6 h TRP 61 Cb 0.81 -0.32 -0.01 0.00 -0.00 0.00 0.00 29.16 29.64 1jt6 h TRP 61 CO 0.05 1.02 -0.10 0.37 -0.00 0.00 0.00 178.44 179.78 1jt6 h GLN 62 N 1.02 0.75 -0.35 2.65 4.15 -0.79 -1.09 115.11 121.45 1jt6 h GLN 62 Ca 0.19 -0.29 -0.03 0.00 0.77 0.00 0.00 58.65 59.29 1jt6 h GLN 62 Cb 0.51 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 1jt6 h GLN 62 CO 0.02 0.90 0.11 1.49 -1.93 0.00 0.00 178.83 179.42 1jt6 h GLU 63 N 0.56 0.55 -0.52 1.69 4.57 -0.88 -0.05 114.58 120.50 1jt6 h GLU 63 Ca 0.10 -0.12 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1jt6 h GLU 63 Cb 0.62 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.11 1jt6 h GLU 63 CO 0.04 0.57 0.33 0.37 -1.18 0.00 0.00 179.01 179.14 1jt6 h GLN 64 N 0.42 0.64 -0.05 1.92 4.15 -0.94 -2.31 115.11 118.94 1jt6 h GLN 64 Ca 0.11 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.39 1jt6 h GLN 64 Cb 0.25 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 1jt6 h GLN 64 CO -0.00 0.43 -0.45 2.35 -1.93 0.00 0.00 178.83 179.22 1jt6 h TRP 65 N 0.66 0.14 0.00 3.99 -0.00 -0.96 -1.66 115.95 118.12 1jt6 h TRP 65 Ca 0.20 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.89 59.02 1jt6 h TRP 65 Cb -0.04 -0.03 -0.00 0.00 -0.00 0.00 0.00 29.16 29.09 1jt6 h TRP 65 CO -0.05 0.56 -0.11 -0.22 -0.00 0.00 0.00 178.44 178.62 1jt6 h LYS 66 N 0.10 0.00 0.00 2.65 3.64 -0.47 -1.76 116.57 120.73 1jt6 h LYS 66 Ca 0.01 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 1jt6 h LYS 66 Cb 0.84 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.61 1jt6 h LYS 66 CO 0.06 0.11 -1.71 1.63 -2.27 0.00 0.00 179.45 177.27 1jt6 n LYS 67 N -4.28 0.63 0.05 1.90 5.02 -0.87 -4.34 118.16 116.27 1jt6 n LYS 67 Ca -0.03 0.30 -0.10 0.00 -2.02 0.00 0.00 58.31 56.46 1jt6 n LYS 67 Cb 0.18 -1.79 -0.13 0.00 -0.02 0.00 0.00 35.03 33.27 1jt6 n LYS 67 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1jt6 h GLU 68 N 0.00 0.08 0.00 1.97 4.57 -1.06 -3.34 114.58 116.80 1jt6 h GLU 68 Ca -0.29 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 57.74 1jt6 h GLU 68 Cb 2.01 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 30.65 1jt6 h GLU 68 CO 0.08 0.95 -0.06 -0.56 -1.18 0.00 0.00 179.01 178.24 1jt6 h GLN 69 N 0.02 0.00 -0.05 1.92 3.07 -1.52 -1.81 115.11 116.74 1jt6 h GLN 69 Ca -0.12 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.63 1jt6 h GLN 69 Cb 1.89 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.45 1jt6 h GLN 69 CO 0.14 0.06 0.04 0.82 0.09 0.00 0.00 178.83 179.98 1jt6 h ILE 70 N 0.00 0.71 0.00 1.86 1.08 -1.80 -1.90 117.51 117.46 1jt6 h ILE 70 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1jt6 h ILE 70 Cb 0.25 0.97 0.00 0.00 -3.07 0.00 0.00 36.82 34.97 1jt6 h ILE 70 CO 0.01 0.00 0.00 0.11 -0.69 0.00 0.00 178.15 177.58 1jt6 h LYS 71 N 0.00 0.00 -5.10 2.37 1.57 -1.58 -3.40 116.57 110.43 1jt6 h LYS 71 Ca 0.02 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.14 1jt6 h LYS 71 Cb 0.11 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 32.10 1jt6 h LYS 71 CO -0.00 0.00 -0.81 0.00 -0.57 0.00 0.00 179.45 178.07 1jt6 s ALA 72 N -3.42 2.49 0.04 3.86 0.00 -0.72 -5.02 121.76 118.99 1jt6 s ALA 72 Ca 0.02 -1.14 -0.30 0.00 0.00 0.00 0.00 51.96 50.54 1jt6 s ALA 72 Cb 0.08 -1.30 -0.18 0.00 0.00 0.00 0.00 23.12 21.73 1jt6 s ALA 72 CO 0.34 -0.24 1.43 -0.22 0.00 0.00 0.00 175.76 177.07 1jt6 h LYS 73 N 7.72 -0.79 -6.35 0.00 3.64 -1.84 -3.43 116.57 115.52 1jt6 h LYS 73 Ca -0.40 0.05 -0.46 0.00 -1.27 0.00 0.00 60.65 58.57 1jt6 h LYS 73 Cb 1.16 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1jt6 h LYS 73 CO 0.60 -0.49 -0.31 0.95 -2.27 0.00 0.00 179.45 177.93 1jt6 s THR 74 N -5.45 5.05 0.33 1.00 -4.23 -1.26 -4.97 115.64 106.11 1jt6 s THR 74 Ca -0.16 -0.76 0.09 0.00 -1.18 0.00 0.00 61.69 59.68 1jt6 s THR 74 Cb 0.03 -3.81 0.07 0.00 1.34 0.00 0.00 72.50 70.13 1jt6 s THR 74 CO 0.56 -0.41 1.77 0.78 -0.54 0.00 0.00 174.62 176.78 1jt6 h ASN 75 N 0.95 0.15 -0.08 3.99 2.35 -1.91 0.50 115.58 121.54 1jt6 h ASN 75 Ca -0.50 -0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.20 1jt6 h ASN 75 Cb 1.23 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.55 1jt6 h ASN 75 CO 0.60 0.52 0.06 -0.09 -1.65 0.00 0.00 177.43 176.86 1jt6 h ARG 76 N 0.13 0.08 0.16 0.81 1.12 -1.95 -1.04 114.38 113.69 1jt6 h ARG 76 Ca 0.01 -0.00 -0.21 0.00 -1.11 0.00 0.00 59.98 58.66 1jt6 h ARG 76 Cb 0.72 -0.02 0.02 0.00 -0.01 0.00 0.00 29.97 30.68 1jt6 h ARG 76 CO 0.05 0.05 -0.94 0.93 -3.11 0.00 0.00 179.97 176.96 1jt6 h GLU 77 N 0.08 0.36 -0.24 0.20 5.08 -1.58 -3.07 114.58 115.41 1jt6 h GLU 77 Ca 0.03 -0.60 0.01 0.00 -1.00 0.00 0.00 59.36 57.81 1jt6 h GLU 77 Cb 0.03 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1jt6 h GLU 77 CO -0.01 1.28 0.16 0.87 -1.00 0.00 0.00 179.01 180.31 1jt6 h LYS 78 N -0.25 0.27 -0.31 2.33 1.57 -0.34 -0.85 116.57 118.99 1jt6 h LYS 78 Ca -0.16 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.47 1jt6 h LYS 78 Cb 1.73 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.98 1jt6 h LYS 78 CO 0.18 0.18 -0.32 0.35 -0.57 0.00 0.00 179.45 179.27 1jt6 h PHE 79 N 0.28 0.91 0.05 -1.35 3.57 -1.26 0.61 116.94 119.75 1jt6 h PHE 79 Ca 0.09 -0.28 -0.00 0.00 3.53 0.00 0.00 57.97 61.31 1jt6 h PHE 79 Cb 0.04 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.59 1jt6 h PHE 79 CO -0.00 1.05 -0.02 1.88 -2.23 0.00 0.00 178.31 178.98 1jt6 h TYR 80 N 0.52 -0.06 0.06 0.41 0.05 -1.28 -2.69 116.97 113.99 1jt6 h TYR 80 Ca 0.05 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1jt6 h TYR 80 Cb 0.90 0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.65 1jt6 h TYR 80 CO 0.07 0.21 -0.05 1.25 -1.05 0.00 0.00 178.16 178.58 1jt6 h LEU 81 N -0.32 -0.14 -0.50 3.88 5.85 -1.17 -2.30 115.31 120.61 1jt6 h LEU 81 Ca -0.01 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.79 1jt6 h LEU 81 Cb 0.29 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1jt6 h LEU 81 CO 0.01 -0.09 0.21 0.22 -0.34 0.00 0.00 178.44 178.46 1jt6 h TYR 82 N -0.12 0.38 0.00 1.25 3.20 -0.89 0.76 116.97 121.55 1jt6 h TYR 82 Ca 0.00 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1jt6 h TYR 82 Cb 0.12 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 1jt6 h TYR 82 CO -0.10 0.15 -0.15 -0.91 -1.64 0.00 0.00 178.16 175.52 1jt6 h ASN 83 N 0.41 0.00 0.00 -2.11 -0.26 -1.26 -1.79 115.58 110.59 1jt6 h ASN 83 Ca 0.23 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.97 1jt6 h ASN 83 Cb 0.21 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.47 1jt6 h ASN 83 CO -0.21 0.15 -0.00 -0.08 -1.06 0.00 0.00 177.43 176.23 1jt6 h GLU 84 N 0.00 -0.00 -0.69 0.81 4.81 -0.70 -3.27 114.58 115.54 1jt6 h GLU 84 Ca -0.00 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.38 1jt6 h GLU 84 Cb 0.43 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.70 1jt6 h GLU 84 CO 0.02 0.84 0.13 -0.07 -0.73 0.00 0.00 179.01 179.19 1jt6 h LEU 85 N -0.87 -0.06 -1.91 1.64 4.07 -0.58 -0.46 115.31 117.14 1jt6 h LEU 85 Ca -0.00 0.14 0.18 0.00 0.08 0.00 0.00 57.88 58.28 1jt6 h LEU 85 Cb 0.85 0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.77 1jt6 h LEU 85 CO 0.00 -0.05 0.58 0.28 -1.08 0.00 0.00 178.44 178.16 1jt6 h SER 86 N 0.23 0.00 1.62 -0.43 0.02 -1.38 0.48 113.55 114.10 1jt6 h SER 86 Ca 0.38 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.27 1jt6 h SER 86 Cb 0.64 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1jt6 h SER 86 CO -0.51 0.00 -0.28 -0.07 -1.14 0.00 0.00 176.83 174.83 1jt6 h LEU 87 N 0.00 0.00 0.00 5.07 3.38 -1.16 -3.37 115.31 119.22 1jt6 h LEU 87 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1jt6 h LEU 87 Cb 1.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1jt6 h LEU 87 CO -0.00 0.28 -1.03 0.35 0.09 0.00 0.00 178.44 178.13 1jt6 n THR 88 N -3.19 0.00 -1.54 0.22 -2.24 0.14 -5.02 114.28 102.64 1jt6 n THR 88 Ca 0.03 -0.15 -0.35 0.00 -2.27 0.00 0.00 64.05 61.30 1jt6 n THR 88 Cb 0.63 0.50 0.08 0.00 -2.10 0.00 0.00 70.33 69.44 1jt6 n THR 88 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1jt6 s THR 89 N -2.16 2.20 -2.67 4.28 -1.32 0.47 -4.90 115.64 111.54 1jt6 s THR 89 Ca -0.01 0.11 0.25 0.00 -1.21 0.00 0.00 61.69 60.83 1jt6 s THR 89 Cb 0.03 -2.81 0.39 0.00 -1.51 0.00 0.00 72.50 68.59 1jt6 s THR 89 CO 0.18 -0.04 1.51 -1.84 -2.21 0.00 0.00 174.62 172.22 1jt6 n GLU 90 N -2.42 2.01 -4.10 7.08 0.28 -1.26 -4.77 120.64 117.44 1jt6 n GLU 90 Ca 0.14 -1.47 -0.32 0.00 -0.16 0.00 0.00 57.16 55.36 1jt6 n GLU 90 Cb 0.49 -1.47 -0.07 0.00 1.43 0.00 0.00 31.44 31.83 1jt6 n GLU 90 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1jt6 s TYR 91 N -1.94 3.19 0.00 -1.84 1.51 -1.26 -4.66 117.35 112.36 1jt6 s TYR 91 Ca 0.34 0.11 0.00 0.00 -1.01 0.00 0.00 57.07 56.51 1jt6 s TYR 91 Cb 0.20 -1.66 0.00 0.00 -0.11 0.00 0.00 41.96 40.39 1jt6 s TYR 91 CO 0.31 0.52 0.00 0.98 -1.11 0.00 0.00 175.55 176.25 1jt6 n TYR 92 N 0.83 0.00 -0.37 2.71 4.19 -1.26 -4.31 117.16 118.95 1jt6 n TYR 92 Ca -0.11 0.00 0.29 0.00 3.31 0.00 0.00 57.90 61.40 1jt6 n TYR 92 Cb 0.52 0.00 0.56 0.00 0.49 0.00 0.00 39.34 40.91 1jt6 n TYR 92 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 1jt6 h TYR 93 N 0.00 0.73 0.00 2.98 0.05 -1.89 0.94 116.97 119.79 1jt6 h TYR 93 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1jt6 h TYR 93 Cb 0.00 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 37.55 1jt6 h TYR 93 CO 0.00 -0.19 0.00 -2.30 -1.05 0.00 0.00 178.16 174.62 1jt6 n PRO 94 N -4.89 0.11 -0.71 4.88 -0.02 -1.26 -2.43 135.00 130.67 1jt6 n PRO 94 Ca 0.34 0.38 0.07 0.00 -2.02 0.00 0.00 63.50 62.28 1jt6 n PRO 94 Cb 1.17 -1.73 0.35 0.00 -0.02 0.00 0.00 33.50 33.28 1jt6 n PRO 94 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1jt6 n LEU 95 N -1.94 4.93 -0.11 2.45 4.77 0.33 -4.63 117.00 122.80 1jt6 n LEU 95 Ca 0.02 -2.50 -0.06 0.00 -0.03 0.00 0.00 56.01 53.45 1jt6 n LEU 95 Cb 0.18 -0.62 0.02 0.00 -2.33 0.00 0.00 43.42 40.67 1jt6 n LEU 95 CO 0.15 0.67 0.91 1.56 -1.33 0.00 0.00 177.39 179.35 1jt6 h GLN 96 N 3.71 0.22 0.00 3.23 1.08 -1.59 0.16 115.11 121.93 1jt6 h GLN 96 Ca 0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1jt6 h GLN 96 Cb 1.64 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 29.02 1jt6 h GLN 96 CO 0.35 0.15 0.00 -1.71 -0.95 0.00 0.00 178.83 176.66 1jt6 n ASN 97 N -5.07 0.00 -0.45 1.46 5.15 -1.26 -0.21 115.26 114.88 1jt6 n ASN 97 Ca 0.02 0.73 0.40 0.00 -0.60 0.00 0.00 54.58 55.12 1jt6 n ASN 97 Cb 0.16 -0.23 0.74 0.00 -0.53 0.00 0.00 39.78 39.91 1jt6 n ASN 97 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jt6 h ALA 98 N -1.78 3.21 -0.16 5.20 0.00 -1.77 0.27 119.26 124.24 1jt6 h ALA 98 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 1jt6 h ALA 98 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1jt6 h ALA 98 CO 0.00 -1.66 -0.69 0.82 0.00 0.00 0.00 179.25 177.72 1jt6 h ILE 99 N 0.05 1.31 -0.02 0.00 2.04 0.15 -1.02 117.51 120.02 1jt6 h ILE 99 Ca 0.71 -1.96 -0.20 0.00 1.00 0.00 0.00 64.86 64.41 1jt6 h ILE 99 Cb 2.67 1.93 -0.00 0.00 -0.74 0.00 0.00 36.82 40.68 1jt6 h ILE 99 CO -0.09 0.61 -0.85 0.16 0.00 0.00 0.00 178.15 177.98 1jt6 h ILE 100 N 0.46 1.42 0.39 -0.67 3.07 0.28 -1.30 117.51 121.17 1jt6 h ILE 100 Ca -0.03 -2.39 -0.01 0.00 1.55 0.00 0.00 64.86 63.98 1jt6 h ILE 100 Cb 1.29 2.33 -0.02 0.00 -0.27 0.00 0.00 36.82 40.15 1jt6 h ILE 100 CO 0.14 0.71 -0.35 -0.33 -1.05 0.00 0.00 178.15 177.27 1jt6 h GLU 101 N 0.20 -0.73 -0.49 0.16 5.08 -1.30 -1.35 114.58 116.15 1jt6 h GLU 101 Ca -0.05 0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1jt6 h GLU 101 Cb 1.46 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 30.81 1jt6 h GLU 101 CO 0.14 -0.49 0.13 0.35 -1.00 0.00 0.00 179.01 178.15 1jt6 h PHE 102 N -0.76 0.23 -0.78 4.33 3.04 -1.19 -1.90 116.94 119.92 1jt6 h PHE 102 Ca -0.03 0.03 0.01 0.00 3.98 0.00 0.00 57.97 61.95 1jt6 h PHE 102 Cb 0.67 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 39.11 1jt6 h PHE 102 CO -0.18 0.04 0.51 -0.92 -2.02 0.00 0.00 178.31 175.74 1jt6 h TYR 103 N 0.29 0.98 -0.10 0.41 5.03 -0.97 -1.32 116.97 121.29 1jt6 h TYR 103 Ca 0.24 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.54 1jt6 h TYR 103 Cb 0.29 -0.33 -0.00 0.00 1.55 0.00 0.00 36.73 38.23 1jt6 h TYR 103 CO -0.19 0.62 -0.06 1.79 -1.32 0.00 0.00 178.16 179.00 1jt6 h THR 104 N 1.06 1.33 0.00 1.81 1.35 -0.50 -1.78 112.91 116.17 1jt6 h THR 104 Ca 0.28 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 1jt6 h THR 104 Cb -0.11 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1jt6 h THR 104 CO -0.06 0.31 0.00 -0.08 -0.25 0.00 0.00 175.52 175.44 1jt6 h GLU 105 N -0.17 0.00 0.00 4.72 4.81 -1.11 -3.31 114.58 119.52 1jt6 h GLU 105 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1jt6 h GLU 105 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1jt6 h GLU 105 CO 0.02 0.00 -0.10 0.66 -0.73 0.00 0.00 179.01 178.85 1jt6 n TYR 106 N -2.35 0.00 1.35 0.92 4.01 -0.52 -4.79 117.16 115.77 1jt6 n TYR 106 Ca 0.01 -0.29 0.11 0.00 -0.16 0.00 0.00 57.90 57.57 1jt6 n TYR 106 Cb 0.17 -0.05 0.64 0.00 -0.31 0.00 0.00 39.34 39.79 1jt6 n TYR 106 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 1jt6 n TYR 107 N -0.35 0.00 0.95 -0.72 4.11 -0.68 -2.53 117.16 117.93 1jt6 n TYR 107 Ca 0.02 0.00 0.11 0.00 -0.00 0.00 0.00 57.90 58.03 1jt6 n TYR 107 Cb 0.50 -0.01 0.03 0.00 -0.00 0.00 0.00 39.34 39.86 1jt6 n TYR 107 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1jt6 n LYS 108 N -1.01 1.58 -3.24 -3.48 4.76 -1.26 -4.79 118.16 110.72 1jt6 n LYS 108 Ca 0.16 -1.25 -0.40 0.00 -2.87 0.00 0.00 58.31 53.95 1jt6 n LYS 108 Cb 0.08 -1.44 -0.08 0.00 -1.84 0.00 0.00 35.03 31.75 1jt6 n LYS 108 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1jt6 s THR 109 N -2.21 5.05 0.14 -0.18 2.01 -1.05 -4.98 115.64 114.41 1jt6 s THR 109 Ca 0.20 0.70 -0.20 0.00 0.31 0.00 0.00 61.69 62.70 1jt6 s THR 109 Cb 0.18 -3.88 0.02 0.00 0.01 0.00 0.00 72.50 68.83 1jt6 s THR 109 CO 0.46 -0.02 1.67 -1.13 -0.69 0.00 0.00 174.62 174.91 1jt6 h ASN 110 N 8.18 -0.43 -0.48 3.53 -1.24 -1.88 0.50 115.58 123.77 1jt6 h ASN 110 Ca -0.29 0.10 0.00 0.00 0.71 0.00 0.00 56.30 56.82 1jt6 h ASN 110 Cb 1.14 0.23 -0.02 0.00 0.73 0.00 0.00 38.32 40.39 1jt6 h ASN 110 CO 0.73 -0.17 0.30 0.77 -1.29 0.00 0.00 177.43 177.78 1jt6 h SER 111 N -0.11 0.57 -0.45 1.15 4.64 -1.96 -0.08 113.55 117.30 1jt6 h SER 111 Ca 0.13 -0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 61.28 1jt6 h SER 111 Cb 0.30 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1jt6 h SER 111 CO -0.30 0.44 -0.23 0.40 -0.87 0.00 0.00 176.83 176.27 1jt6 h ILE 112 N 0.64 1.27 -0.12 0.95 2.04 -1.84 -1.70 117.51 118.75 1jt6 h ILE 112 Ca 0.17 -1.39 -0.08 0.00 1.00 0.00 0.00 64.86 64.56 1jt6 h ILE 112 Cb -0.03 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1jt6 h ILE 112 CO -0.03 0.47 -0.30 -1.13 0.00 0.00 0.00 178.15 177.16 1jt6 h ASN 113 N 0.80 0.23 -0.07 1.72 -1.24 -0.70 -0.97 115.58 115.34 1jt6 h ASN 113 Ca 0.10 -0.08 -0.08 0.00 0.71 0.00 0.00 56.30 56.96 1jt6 h ASN 113 Cb 0.80 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.79 1jt6 h ASN 113 CO 0.07 0.53 -0.26 -0.33 -1.29 0.00 0.00 177.43 176.15 1jt6 h GLU 114 N 0.21 0.31 -0.32 6.67 5.08 -0.83 -0.67 114.58 125.01 1jt6 h GLU 114 Ca 0.03 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 1jt6 h GLU 114 Cb 0.64 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1jt6 h GLU 114 CO 0.05 0.86 -0.05 0.87 -1.00 0.00 0.00 179.01 179.74 1jt6 h LYS 115 N -0.19 0.52 -0.14 2.33 1.79 -1.28 -1.75 116.57 117.86 1jt6 h LYS 115 Ca -0.01 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.31 1jt6 h LYS 115 Cb 0.90 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.47 1jt6 h LYS 115 CO 0.06 0.59 0.03 1.98 -1.08 0.00 0.00 179.45 181.02 1jt6 h MET 116 N 0.49 0.23 -0.08 3.15 4.05 -1.14 -2.41 114.93 119.21 1jt6 h MET 116 Ca 0.10 -0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.37 1jt6 h MET 116 Cb 0.40 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 1jt6 h MET 116 CO 0.02 0.40 -0.36 -0.91 0.23 0.00 0.00 176.91 176.29 1jt6 h ASN 117 N 0.01 0.17 -0.63 1.39 -0.26 -0.84 -0.95 115.58 114.48 1jt6 h ASN 117 Ca 0.04 -0.06 -0.06 0.00 -0.56 0.00 0.00 56.30 55.66 1jt6 h ASN 117 Cb 0.28 -0.05 -0.03 0.00 -1.06 0.00 0.00 38.32 37.47 1jt6 h ASN 117 CO 0.00 0.53 0.17 0.11 -1.06 0.00 0.00 177.43 177.18 1jt6 h LYS 118 N 0.15 0.99 -0.49 0.81 1.57 -1.21 -0.74 116.57 117.65 1jt6 h LYS 118 Ca 0.02 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 1jt6 h LYS 118 Cb 0.72 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1jt6 h LYS 118 CO 0.05 0.89 0.24 -0.07 -0.57 0.00 0.00 179.45 179.99 1jt6 h LEU 119 N 0.91 0.64 -0.59 2.94 3.38 -0.94 -2.64 115.31 119.00 1jt6 h LEU 119 Ca 0.20 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.11 1jt6 h LEU 119 Cb 0.33 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1jt6 h LEU 119 CO -0.00 0.58 0.30 -0.08 0.09 0.00 0.00 178.44 179.33 1jt6 h GLU 120 N 0.65 0.55 0.00 1.13 4.57 -0.81 -2.54 114.58 118.12 1jt6 h GLU 120 Ca 0.17 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.28 1jt6 h GLU 120 Cb 0.10 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1jt6 h GLU 120 CO -0.02 0.36 -0.19 -0.91 -1.18 0.00 0.00 179.01 177.07 1jt6 h ASN 121 N 0.56 0.00 -0.08 1.04 -0.26 -0.80 -2.01 115.58 114.04 1jt6 h ASN 121 Ca 0.27 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.86 1jt6 h ASN 121 Cb 0.20 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.45 1jt6 h ASN 121 CO -0.19 0.19 -0.48 0.11 -1.06 0.00 0.00 177.43 176.00 1jt6 h LYS 122 N 0.00 0.64 -0.38 0.81 1.57 -1.16 0.23 116.57 118.28 1jt6 h LYS 122 Ca -0.00 -0.37 -0.05 0.00 -1.87 0.00 0.00 60.65 58.36 1jt6 h LYS 122 Cb 0.34 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1jt6 h LYS 122 CO 0.02 0.98 0.04 1.88 -0.57 0.00 0.00 179.45 181.80 1jt6 h TYR 123 N 0.51 0.68 0.00 -1.35 -1.99 -1.20 -2.79 116.97 110.83 1jt6 h TYR 123 Ca 0.03 -0.10 -0.12 0.00 2.00 0.00 0.00 58.73 60.53 1jt6 h TYR 123 Cb 1.02 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 39.55 1jt6 h TYR 123 CO 0.05 0.69 -0.59 0.82 -0.00 0.00 0.00 178.16 179.13 1jt6 h ILE 124 N 0.47 1.38 -0.81 -2.88 2.04 -1.27 -3.10 117.51 113.34 1jt6 h ILE 124 Ca 0.11 -2.05 0.17 0.00 1.00 0.00 0.00 64.86 64.09 1jt6 h ILE 124 Cb 0.39 2.12 -0.05 0.00 -0.74 0.00 0.00 36.82 38.54 1jt6 h ILE 124 CO 0.01 0.58 0.54 -0.78 0.00 0.00 0.00 178.15 178.50 1jt6 h ASP 125 N 0.00 0.37 -0.17 1.72 3.58 -0.26 -1.05 116.42 120.60 1jt6 h ASP 125 Ca -0.01 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.50 1jt6 h ASP 125 Cb 1.07 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 42.05 1jt6 h ASP 125 CO 0.08 0.17 0.00 0.00 -2.88 0.00 0.00 179.24 176.61 1jt6 h ALA 126 N 1.63 0.15 -0.70 -0.78 0.00 -1.53 0.17 119.26 118.20 1jt6 h ALA 126 Ca 0.41 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.29 1jt6 h ALA 126 Cb 1.01 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1jt6 h ALA 126 CO -0.13 -0.43 0.17 1.88 0.00 0.00 0.00 179.25 180.73 1jt6 h TYR 127 N 0.06 1.16 -0.12 0.00 0.05 -1.46 -2.45 116.97 114.21 1jt6 h TYR 127 Ca 0.08 -0.14 0.05 0.00 0.05 0.00 0.00 58.73 58.77 1jt6 h TYR 127 Cb 0.09 -0.33 -0.06 0.00 1.01 0.00 0.00 36.73 37.45 1jt6 h TYR 127 CO -0.16 0.95 -0.29 1.25 -1.05 0.00 0.00 178.16 178.85 1jt6 h HIS 128 N 1.05 -0.80 -0.52 4.88 2.76 -0.28 0.20 115.15 122.45 1jt6 h HIS 128 Ca 0.22 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.48 1jt6 h HIS 128 Cb 0.37 0.37 -0.05 0.00 1.55 0.00 0.00 27.41 29.65 1jt6 h HIS 128 CO 0.03 -0.38 0.25 0.28 -1.30 0.00 0.00 177.93 176.81 1jt6 h VAL 129 N -0.37 0.92 -0.91 5.26 2.07 -0.55 -0.34 116.25 122.33 1jt6 h VAL 129 Ca 0.09 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1jt6 h VAL 129 Cb 0.52 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 1jt6 h VAL 129 CO -0.33 0.09 0.58 0.40 0.02 0.00 0.00 177.57 178.33 1jt6 h ILE 130 N 0.48 1.24 -0.09 4.57 2.04 -0.92 -1.81 117.51 123.02 1jt6 h ILE 130 Ca 0.24 -0.46 -0.20 0.00 1.00 0.00 0.00 64.86 65.43 1jt6 h ILE 130 Cb 0.18 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 1jt6 h ILE 130 CO -0.18 0.24 -0.76 -0.26 0.00 0.00 0.00 178.15 177.18 1jt6 h PHE 131 N 1.24 0.72 0.35 1.37 0.04 -0.34 -1.66 116.94 118.65 1jt6 h PHE 131 Ca 0.33 -0.32 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 1jt6 h PHE 131 Cb -0.11 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 37.93 1jt6 h PHE 131 CO -0.00 1.11 -0.17 -0.22 -0.60 0.00 0.00 178.31 178.43 1jt6 h LYS 132 N 0.36 -0.45 -0.98 1.51 3.64 -1.01 -2.72 116.57 116.91 1jt6 h LYS 132 Ca -0.04 0.03 0.20 0.00 -1.27 0.00 0.00 60.65 59.57 1jt6 h LYS 132 Cb 1.36 0.10 -0.10 0.00 -0.41 0.00 0.00 32.23 33.19 1jt6 h LYS 132 CO 0.14 -0.13 0.62 1.49 -2.27 0.00 0.00 179.45 179.30 1jt6 h GLU 133 N -0.88 0.62 0.00 1.90 4.57 -1.39 0.21 114.58 119.61 1jt6 h GLU 133 Ca -0.05 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.01 1jt6 h GLU 133 Cb 0.53 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1jt6 h GLU 133 CO 0.08 0.41 -0.39 0.78 -1.18 0.00 0.00 179.01 178.71 1jt6 h GLY 134 N 0.64 0.00 0.58 1.92 0.00 -1.29 -3.08 103.07 101.84 1jt6 h GLY 134 Ca 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.86 1jt6 h GLY 134 CO -0.32 0.00 -0.28 3.43 0.00 0.00 0.00 176.54 179.37 1jt6 h ASN 135 N 0.00 -0.66 0.00 0.19 2.35 -0.25 -0.37 115.58 116.84 1jt6 h ASN 135 Ca -0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1jt6 h ASN 135 Cb 0.86 0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.41 1jt6 h ASN 135 CO 0.05 -0.40 0.00 0.00 -1.65 0.00 0.00 177.43 175.43 1jt6 n LEU 136 N -4.48 1.55 0.00 1.61 -0.00 -1.00 -1.70 117.00 112.98 1jt6 n LEU 136 Ca -0.10 -0.77 0.00 0.00 -0.00 0.00 0.00 56.01 55.14 1jt6 n LEU 136 Cb 0.31 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 1jt6 n LEU 136 CO 0.23 0.29 0.08 0.59 -0.00 0.00 0.00 177.39 178.58 1jt6 n ASN 137 N 0.38 0.31 -0.31 1.45 3.02 -1.07 -5.03 115.26 114.01 1jt6 n ASN 137 Ca 0.00 -0.83 -0.04 0.00 -0.03 0.00 0.00 54.58 53.68 1jt6 n ASN 137 Cb 0.29 0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.52 1jt6 n ASN 137 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jt6 n GLY 138 N 0.08 0.67 0.18 7.41 0.00 -0.69 -4.88 105.19 107.97 1jt6 n GLY 138 Ca 0.00 -0.40 0.07 0.00 0.00 0.00 0.00 46.02 45.69 1jt6 n GLY 138 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jt6 h GLU 139 N 0.29 0.00 0.00 1.61 5.08 -1.32 -3.48 114.58 116.77 1jt6 h GLU 139 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1jt6 h GLU 139 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1jt6 h GLU 139 CO 0.12 0.30 0.00 -2.67 -1.00 0.00 0.00 179.01 175.76 1jt6 n TRP 140 N -3.23 -0.43 -3.53 4.33 2.14 -1.22 -5.05 117.44 110.45 1jt6 n TRP 140 Ca 0.02 0.00 -0.12 0.00 2.07 0.00 0.00 57.50 59.47 1jt6 n TRP 140 Cb 0.60 0.00 -0.11 0.00 -0.81 0.00 0.00 31.31 30.99 1jt6 n TRP 140 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1jt6 s SER 141 N -0.67 0.36 -0.23 -0.67 0.15 -1.26 -4.41 113.70 106.96 1jt6 s SER 141 Ca 0.00 0.42 -0.03 0.00 0.70 0.00 0.00 55.95 57.04 1jt6 s SER 141 Cb 0.00 0.92 0.00 0.00 -1.71 0.00 0.00 66.02 65.24 1jt6 s SER 141 CO 0.00 -0.27 -0.05 -0.63 1.20 0.00 0.00 173.24 173.49 1jt6 s ILE 142 N 2.49 3.20 0.00 6.45 -1.09 -1.26 -4.25 121.20 126.74 1jt6 s ILE 142 Ca 0.05 -0.68 0.00 0.00 -2.23 0.00 0.00 60.65 57.79 1jt6 s ILE 142 Cb -0.14 -2.52 0.00 0.00 -1.58 0.00 0.00 42.46 38.23 1jt6 s ILE 142 CO -0.12 0.34 0.64 -0.46 -1.23 0.00 0.00 174.94 174.10 1jt6 n ASN 143 N 4.76 0.00 -4.11 3.58 6.94 -1.26 -4.36 115.26 120.81 1jt6 n ASN 143 Ca -0.18 0.64 -0.35 0.00 -0.02 0.00 0.00 54.58 54.67 1jt6 n ASN 143 Cb 0.49 -0.14 -0.13 0.00 -2.36 0.00 0.00 39.78 37.65 1jt6 n ASN 143 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1jt6 s ASP 144 N -2.54 5.07 0.20 0.53 2.15 -1.26 -4.98 116.67 115.84 1jt6 s ASP 144 Ca 0.00 -1.88 -0.12 0.00 0.43 0.00 0.00 52.55 50.98 1jt6 s ASP 144 Cb 0.00 -1.76 0.14 0.00 -0.30 0.00 0.00 42.92 41.00 1jt6 s ASP 144 CO 0.00 -0.44 1.85 0.58 -0.17 0.00 0.00 175.17 176.98 1jt6 h VAL 145 N 6.44 1.12 -0.68 1.11 2.07 -1.98 -2.75 116.25 121.58 1jt6 h VAL 145 Ca -0.13 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1jt6 h VAL 145 Cb 1.04 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1jt6 h VAL 145 CO 0.62 0.15 0.35 -1.13 0.02 0.00 0.00 177.57 177.59 1jt6 h ASN 146 N 0.83 0.85 -0.10 0.57 -1.24 -1.96 0.63 115.58 115.15 1jt6 h ASN 146 Ca 0.25 -0.08 -0.02 0.00 0.71 0.00 0.00 56.30 57.16 1jt6 h ASN 146 Cb -0.04 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 38.79 1jt6 h ASN 146 CO -0.08 0.70 -0.03 0.00 -1.29 0.00 0.00 177.43 176.73 1jt6 h ALA 147 N 1.44 0.14 -0.50 1.57 0.00 -1.94 -2.07 119.26 117.91 1jt6 h ALA 147 Ca 0.24 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1jt6 h ALA 147 Cb 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1jt6 h ALA 147 CO -0.04 -0.11 0.07 0.28 0.00 0.00 0.00 179.25 179.45 1jt6 h VAL 148 N -0.13 1.23 -0.74 0.00 2.07 -1.21 -1.34 116.25 116.13 1jt6 h VAL 148 Ca 0.03 -0.89 -0.05 0.00 0.82 0.00 0.00 66.70 66.61 1jt6 h VAL 148 Cb 0.45 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1jt6 h VAL 148 CO 0.01 0.32 0.25 0.28 0.02 0.00 0.00 177.57 178.45 1jt6 h SER 149 N 0.75 1.06 -0.64 0.57 0.02 -0.78 0.19 113.55 114.71 1jt6 h SER 149 Ca 0.16 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 1jt6 h SER 149 Cb 0.36 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 1jt6 h SER 149 CO 0.01 0.97 0.18 0.11 -1.14 0.00 0.00 176.83 176.95 1jt6 h LYS 150 N 1.10 1.02 -0.38 3.45 1.57 -0.86 -2.12 116.57 120.33 1jt6 h LYS 150 Ca 0.24 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1jt6 h LYS 150 Cb 0.27 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1jt6 h LYS 150 CO -0.01 0.91 0.11 0.82 -0.57 0.00 0.00 179.45 180.70 1jt6 h ILE 151 N 0.94 1.22 0.50 1.86 2.04 -0.43 -2.19 117.51 121.45 1jt6 h ILE 151 Ca 0.20 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 1jt6 h ILE 151 Cb 0.33 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1jt6 h ILE 151 CO -0.00 0.25 -0.24 0.00 0.00 0.00 0.00 178.15 178.16 1jt6 h ALA 152 N 0.95 -0.67 -0.40 1.87 0.00 -0.56 -1.11 119.26 119.34 1jt6 h ALA 152 Ca 0.12 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1jt6 h ALA 152 Cb 0.28 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 1jt6 h ALA 152 CO -0.00 -0.85 -0.24 0.00 0.00 0.00 0.00 179.25 178.15 1jt6 h ALA 153 N -0.24 0.01 -0.35 0.00 0.00 -1.36 0.21 119.26 117.53 1jt6 h ALA 153 Ca -0.07 0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1jt6 h ALA 153 Cb 0.54 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1jt6 h ALA 153 CO 0.11 -0.62 -0.35 -0.91 0.00 0.00 0.00 179.25 177.49 1jt6 h ASN 154 N -0.17 0.83 -0.16 0.00 2.35 -1.35 -1.08 115.58 116.00 1jt6 h ASN 154 Ca 0.19 -0.36 -0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1jt6 h ASN 154 Cb 0.47 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1jt6 h ASN 154 CO -0.51 1.10 0.10 0.00 -1.65 0.00 0.00 177.43 176.47 1jt6 h ALA 155 N 0.95 0.20 -0.53 -0.83 0.00 -0.38 -1.59 119.26 117.09 1jt6 h ALA 155 Ca 0.06 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1jt6 h ALA 155 Cb 0.89 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1jt6 h ALA 155 CO 0.08 -0.29 0.12 0.28 0.00 0.00 0.00 179.25 179.44 1jt6 h VAL 156 N 0.19 1.23 0.00 0.00 2.07 -0.52 -0.61 116.25 118.61 1jt6 h VAL 156 Ca 0.06 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 1jt6 h VAL 156 Cb 0.02 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1jt6 h VAL 156 CO -0.01 0.31 -0.13 -1.13 0.02 0.00 0.00 177.57 176.62 1jt6 h ASN 157 N 0.78 0.00 1.02 0.57 -0.73 -0.87 0.45 115.58 116.80 1jt6 h ASN 157 Ca 0.17 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 58.14 1jt6 h ASN 157 Cb 0.31 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.87 1jt6 h ASN 157 CO 0.00 0.13 -1.00 1.23 -0.37 0.00 0.00 177.43 177.42 1jt6 h GLY 158 N 0.56 0.00 0.92 1.57 0.00 -0.14 -1.18 103.07 104.79 1jt6 h GLY 158 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1jt6 h GLY 158 CO 0.02 0.00 -0.33 -2.22 0.00 0.00 0.00 176.54 174.00 1jt6 h ILE 159 N 0.00 1.32 0.45 2.60 1.08 -0.23 -2.38 117.51 120.36 1jt6 h ILE 159 Ca -0.04 -1.54 -0.02 0.00 -0.39 0.00 0.00 64.86 62.87 1jt6 h ILE 159 Cb 1.73 1.79 0.00 0.00 -3.07 0.00 0.00 36.82 37.28 1jt6 h ILE 159 CO 0.11 0.48 -0.22 0.58 -0.69 0.00 0.00 178.15 178.42 1jt6 h VAL 160 N 0.30 0.52 0.00 1.67 2.07 -0.97 -3.10 116.25 116.74 1jt6 h VAL 160 Ca 0.02 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1jt6 h VAL 160 Cb 0.92 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1jt6 h VAL 160 CO 0.08 0.05 0.00 0.71 0.02 0.00 0.00 177.57 178.43 1jt6 h THR 161 N -0.80 0.00 -0.66 2.57 1.35 -1.30 -3.13 112.91 110.94 1jt6 h THR 161 Ca -0.06 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1jt6 h THR 161 Cb 0.55 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1jt6 h THR 161 CO 0.10 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.86 1jt6 n PHE 162 N -2.49 1.08 -0.56 4.73 3.01 -0.90 -4.04 117.46 118.30 1jt6 n PHE 162 Ca 0.04 -0.54 0.00 0.00 1.01 0.00 0.00 57.45 57.96 1jt6 n PHE 162 Cb 0.39 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 1jt6 n PHE 162 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1jt6 n THR 163 N 1.34 0.19 0.00 4.37 -2.24 -1.17 -4.84 114.28 111.93 1jt6 n THR 163 Ca 0.24 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1jt6 n THR 163 Cb 0.69 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 70.14 1jt6 n THR 163 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1jt6 n HIS 164 N -0.09 0.00 -0.05 4.78 -0.00 -1.18 -1.13 115.22 117.55 1jt6 n HIS 164 Ca 0.00 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.18 1jt6 n HIS 164 Cb 0.25 -0.19 -0.00 0.00 -0.12 0.00 0.00 29.99 29.93 1jt6 n HIS 164 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 1jt6 h GLU 165 N 0.00 0.00 -6.64 1.57 4.11 -1.90 -3.49 114.58 108.23 1jt6 h GLU 165 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.95 1jt6 h GLU 165 Cb 0.36 0.00 0.23 0.00 0.50 0.00 0.00 28.75 29.84 1jt6 h GLU 165 CO 0.00 0.00 -1.10 1.04 0.07 0.00 0.00 179.01 179.02 1jt6 n GLN 166 N -4.53 -1.19 -2.13 1.06 6.02 -0.28 -4.95 117.38 111.38 1jt6 n GLN 166 Ca -0.00 -0.33 -0.41 0.00 -0.01 0.00 0.00 57.00 56.25 1jt6 n GLN 166 Cb 0.01 -1.67 -0.03 0.00 1.02 0.00 0.00 30.24 29.57 1jt6 n GLN 166 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1jt6 s ASN 167 N -1.80 6.79 0.56 1.08 2.47 -1.26 -4.86 114.94 117.91 1jt6 s ASN 167 Ca 0.54 2.56 0.28 0.00 0.42 0.00 0.00 52.86 56.67 1jt6 s ASN 167 Cb -0.12 -2.62 1.47 0.00 -1.45 0.00 0.00 41.25 38.52 1jt6 s ASN 167 CO 0.67 -0.58 1.94 -0.29 -3.72 0.00 0.00 177.10 175.12 1jt6 h ILE 168 N 3.49 0.53 0.00 -5.21 6.09 -1.96 -0.69 117.51 119.76 1jt6 h ILE 168 Ca -0.46 0.00 -0.14 0.00 -1.37 0.00 0.00 64.86 62.89 1jt6 h ILE 168 Cb 1.22 0.65 -0.02 0.00 0.47 0.00 0.00 36.82 39.14 1jt6 h ILE 168 CO 0.75 0.00 -0.78 0.78 -3.07 0.00 0.00 178.15 175.82 1jt6 h ASN 169 N 0.00 0.00 -0.10 2.19 4.21 -1.99 -1.96 115.58 117.94 1jt6 h ASN 169 Ca 0.27 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.60 1jt6 h ASN 169 Cb 1.20 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.41 1jt6 h ASN 169 CO -0.00 0.61 -0.62 -0.08 -1.29 0.00 0.00 177.43 176.06 1jt6 h GLU 170 N 0.00 0.59 -0.58 0.81 4.22 -1.56 -2.14 114.58 115.92 1jt6 h GLU 170 Ca -0.04 -0.50 0.04 0.00 0.08 0.00 0.00 59.36 58.94 1jt6 h GLU 170 Cb 1.50 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.82 1jt6 h GLU 170 CO 0.07 1.13 0.32 0.00 -2.18 0.00 0.00 179.01 178.35 1jt6 h ARG 171 N 0.21 0.60 -0.29 1.92 3.08 -1.24 -1.41 114.38 117.26 1jt6 h ARG 171 Ca -0.05 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 1jt6 h ARG 171 Cb 1.27 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.16 1jt6 h ARG 171 CO 0.13 0.40 -0.08 0.82 -1.07 0.00 0.00 179.97 180.16 1jt6 h ILE 172 N 0.62 1.21 0.16 2.04 2.04 -1.31 -0.97 117.51 121.30 1jt6 h ILE 172 Ca 0.25 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1jt6 h ILE 172 Cb 0.11 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1jt6 h ILE 172 CO -0.15 0.30 -0.08 0.50 0.00 0.00 0.00 178.15 178.73 1jt6 h LYS 173 N 0.45 -0.20 -0.58 2.37 3.64 -0.63 -1.85 116.57 119.76 1jt6 h LYS 173 Ca 0.09 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.57 1jt6 h LYS 173 Cb 0.42 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.22 1jt6 h LYS 173 CO 0.02 0.07 0.21 -0.07 -2.27 0.00 0.00 179.45 177.42 1jt6 h LEU 174 N -0.48 0.21 -1.51 5.20 3.38 -1.02 -1.18 115.31 119.92 1jt6 h LEU 174 Ca -0.02 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1jt6 h LEU 174 Cb 0.37 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1jt6 h LEU 174 CO 0.04 0.14 -0.13 -0.03 0.09 0.00 0.00 178.44 178.55 1jt6 h MET 175 N 0.40 0.16 -0.19 1.13 4.05 -1.09 -0.37 114.93 119.01 1jt6 h MET 175 Ca 0.29 -0.03 -0.18 0.00 -0.28 0.00 0.00 59.70 59.50 1jt6 h MET 175 Cb 0.34 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 1jt6 h MET 175 CO -0.29 0.29 -0.57 -0.91 0.23 0.00 0.00 176.91 175.67 1jt6 h ASN 176 N 0.15 0.83 -0.18 1.39 2.35 -0.37 -0.68 115.58 119.08 1jt6 h ASN 176 Ca 0.03 -0.59 -0.01 0.00 -0.55 0.00 0.00 56.30 55.19 1jt6 h ASN 176 Cb 0.32 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1jt6 h ASN 176 CO 0.02 1.27 0.07 0.50 -1.65 0.00 0.00 177.43 177.64 1jt6 h LYS 177 N 0.44 0.27 -0.83 0.81 1.63 -1.09 -0.01 116.57 117.79 1jt6 h LYS 177 Ca -0.02 -0.05 0.08 0.00 -0.85 0.00 0.00 60.65 59.81 1jt6 h LYS 177 Cb 1.19 -0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 32.72 1jt6 h LYS 177 CO 0.12 0.36 0.54 0.35 -3.45 0.00 0.00 179.45 177.37 1jt6 h PHE 178 N 0.13 0.90 -0.30 1.91 3.57 -1.04 0.86 116.94 122.97 1jt6 h PHE 178 Ca 0.06 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.43 1jt6 h PHE 178 Cb 0.19 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 1jt6 h PHE 178 CO -0.01 0.45 -0.44 0.77 -2.23 0.00 0.00 178.31 176.85 1jt6 h SER 179 N 0.87 0.82 0.46 0.41 0.02 -0.11 -1.97 113.55 114.05 1jt6 h SER 179 Ca 0.37 -0.39 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1jt6 h SER 179 Cb 0.30 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1jt6 h SER 179 CO -0.14 1.14 -0.22 -0.61 -1.14 0.00 0.00 176.83 175.87 1jt6 h GLN 180 N 0.61 -0.59 -0.93 3.45 4.15 -0.30 -0.87 115.11 120.64 1jt6 h GLN 180 Ca 0.04 0.04 0.21 0.00 0.77 0.00 0.00 58.65 59.71 1jt6 h GLN 180 Cb 1.00 0.13 -0.12 0.00 0.21 0.00 0.00 27.48 28.71 1jt6 h GLN 180 CO 0.10 -0.29 0.47 0.82 -1.93 0.00 0.00 178.83 178.00 1jt6 h ILE 181 N -0.92 0.55 -0.29 2.39 2.04 -0.88 0.00 117.51 120.40 1jt6 h ILE 181 Ca -0.06 -0.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.52 1jt6 h ILE 181 Cb 0.58 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1jt6 h ILE 181 CO 0.10 0.09 -0.23 0.15 0.00 0.00 0.00 178.15 178.27 1jt6 h PHE 182 N 0.51 0.79 0.00 1.37 3.04 -1.17 -2.37 116.94 119.11 1jt6 h PHE 182 Ca 0.57 -0.22 -0.09 0.00 3.98 0.00 0.00 57.97 62.21 1jt6 h PHE 182 Cb 1.03 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.36 1jt6 h PHE 182 CO -0.08 0.94 -0.44 -0.07 -2.02 0.00 0.00 178.31 176.64 1jt6 h LEU 183 N 0.41 0.00 -0.89 0.59 4.07 -0.52 -2.81 115.31 116.15 1jt6 h LEU 183 Ca 0.05 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.90 1jt6 h LEU 183 Cb 0.78 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.51 1jt6 h LEU 183 CO 0.06 0.44 -0.41 -1.13 -1.08 0.00 0.00 178.44 176.31 1jt6 h ASN 184 N 0.00 0.31 0.00 -0.43 -0.00 -0.87 -2.56 115.58 112.03 1jt6 h ASN 184 Ca -0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 56.30 56.16 1jt6 h ASN 184 Cb 0.80 -0.09 0.00 0.00 -0.00 0.00 0.00 38.32 39.04 1jt6 h ASN 184 CO 0.06 0.69 0.00 0.61 -0.00 0.00 0.00 177.43 178.79 1jt6 n GLY 185 N -0.14 -0.80 3.75 1.57 0.00 -0.90 -4.73 105.19 103.92 1jt6 n GLY 185 Ca -0.02 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1jt6 n GLY 185 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jt6 s LEU 186 N -1.45 3.79 0.00 0.99 1.43 -0.97 -5.10 118.68 117.38 1jt6 s LEU 186 Ca 0.17 0.13 0.24 0.00 -1.03 0.00 0.00 54.13 53.65 1jt6 s LEU 186 Cb 0.08 -2.13 1.45 0.00 0.03 0.00 0.00 46.19 45.62 1jt6 s LEU 186 CO 0.13 0.30 1.82 -0.24 0.23 0.00 0.00 176.35 178.59