#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jt6 n LEU 3 N 0.00 0.00 0.24 1.20 -0.00 -1.26 -4.74 117.00 112.45 1jt6 n LEU 3 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 56.01 56.16 1jt6 n LEU 3 Cb 0.00 0.00 0.49 0.00 -0.00 0.00 0.00 43.42 43.91 1jt6 n LEU 3 CO 0.00 0.00 0.92 0.50 -0.00 0.00 0.00 177.39 178.81 1jt6 h LYS 4 N 0.00 0.00 0.00 1.96 3.11 -1.99 -0.93 116.57 118.72 1jt6 h LYS 4 Ca 0.00 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.68 1jt6 h LYS 4 Cb 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.20 1jt6 h LYS 4 CO 0.00 0.00 -1.72 -0.25 -2.81 0.00 0.00 179.45 174.67 1jt6 n ASP 5 N -3.01 0.48 -0.03 4.20 8.00 -1.26 -2.80 116.55 122.13 1jt6 n ASP 5 Ca 0.02 0.21 -0.11 0.00 0.71 0.00 0.00 54.79 55.61 1jt6 n ASP 5 Cb 0.38 0.79 -0.06 0.00 -0.02 0.00 0.00 41.12 42.21 1jt6 n ASP 5 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1jt6 h LYS 6 N 0.00 0.20 0.24 -1.24 1.63 -1.75 -0.06 116.57 115.60 1jt6 h LYS 6 Ca -0.19 -0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.57 1jt6 h LYS 6 Cb 1.53 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 33.11 1jt6 h LYS 6 CO 0.03 0.34 -0.32 0.82 -3.45 0.00 0.00 179.45 176.87 1jt6 h ILE 7 N 0.03 0.33 -0.70 2.00 1.08 -1.29 0.33 117.51 119.28 1jt6 h ILE 7 Ca 0.04 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.57 1jt6 h ILE 7 Cb 0.22 0.33 -0.04 0.00 -3.07 0.00 0.00 36.82 34.26 1jt6 h ILE 7 CO -0.00 0.00 0.46 -0.07 -0.69 0.00 0.00 178.15 177.85 1jt6 h LEU 8 N -0.62 0.65 -0.03 1.44 3.38 -1.45 0.35 115.31 119.03 1jt6 h LEU 8 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1jt6 h LEU 8 Cb 0.59 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1jt6 h LEU 8 CO -0.11 0.42 -0.13 1.23 0.09 0.00 0.00 178.44 179.94 1jt6 h GLY 9 N 0.74 0.16 1.03 0.83 0.00 -0.47 -2.42 103.07 102.95 1jt6 h GLY 9 Ca 0.30 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.33 1jt6 h GLY 9 CO -0.10 0.20 0.06 -2.08 0.00 0.00 0.00 176.54 174.62 1jt6 h VAL 10 N -0.43 1.26 -0.77 4.60 2.07 -0.13 -2.83 116.25 120.03 1jt6 h VAL 10 Ca -0.01 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 1jt6 h VAL 10 Cb 0.78 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1jt6 h VAL 10 CO 0.03 0.37 0.42 0.00 0.02 0.00 0.00 177.57 178.41 1jt6 h ALA 11 N 0.99 0.99 -0.70 1.67 0.00 -1.00 -0.37 119.26 120.83 1jt6 h ALA 11 Ca 0.17 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1jt6 h ALA 11 Cb 0.46 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1jt6 h ALA 11 CO 0.02 0.51 0.46 -0.22 0.00 0.00 0.00 179.25 180.02 1jt6 h LYS 12 N 1.07 0.87 0.04 0.00 3.64 -1.28 0.39 116.57 121.31 1jt6 h LYS 12 Ca 0.27 -0.05 -0.28 0.00 -1.27 0.00 0.00 60.65 59.32 1jt6 h LYS 12 Cb 0.04 -0.20 0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1jt6 h LYS 12 CO -0.04 0.58 -1.12 1.49 -2.27 0.00 0.00 179.45 178.08 1jt6 h GLU 13 N 0.90 0.68 -0.25 1.90 4.57 -1.19 -2.12 114.58 119.08 1jt6 h GLU 13 Ca 0.27 -0.79 -0.05 0.00 -1.18 0.00 0.00 59.36 57.61 1jt6 h GLU 13 Cb -0.03 0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1jt6 h GLU 13 CO -0.07 1.35 -0.02 -0.07 -1.18 0.00 0.00 179.01 179.02 1jt6 h LEU 14 N 0.35 0.45 -0.87 1.64 3.38 -0.46 -1.40 115.31 118.40 1jt6 h LEU 14 Ca -0.15 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.54 1jt6 h LEU 14 Cb 1.78 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 42.35 1jt6 h LEU 14 CO 0.22 0.67 0.55 -0.26 0.09 0.00 0.00 178.44 179.71 1jt6 h PHE 15 N 0.21 1.02 -0.49 1.13 0.05 -0.27 -0.14 116.94 118.44 1jt6 h PHE 15 Ca 0.07 0.03 -0.08 0.00 3.82 0.00 0.00 57.97 61.81 1jt6 h PHE 15 Cb 0.46 -0.33 -0.02 0.00 2.00 0.00 0.00 35.95 38.06 1jt6 h PHE 15 CO 0.04 0.54 -0.01 0.82 -0.18 0.00 0.00 178.31 179.52 1jt6 h ILE 16 N 1.02 1.25 0.14 -0.55 2.04 -1.24 0.10 117.51 120.28 1jt6 h ILE 16 Ca 0.37 -1.05 -0.29 0.00 1.00 0.00 0.00 64.86 64.89 1jt6 h ILE 16 Cb 0.11 0.88 0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1jt6 h ILE 16 CO -0.15 0.37 -1.21 0.50 0.00 0.00 0.00 178.15 177.66 1jt6 h LYS 17 N 0.77 0.57 0.00 2.37 3.64 -0.60 -3.39 116.57 119.93 1jt6 h LYS 17 Ca 0.15 -0.80 0.00 0.00 -1.27 0.00 0.00 60.65 58.72 1jt6 h LYS 17 Cb 0.49 0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1jt6 h LYS 17 CO 0.02 1.37 0.00 0.09 -2.27 0.00 0.00 179.45 178.66 1jt6 n ASN 18 N -3.84 1.05 0.00 4.20 3.02 -0.13 -5.09 115.26 114.47 1jt6 n ASN 18 Ca -0.14 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 1jt6 n ASN 18 Cb 0.98 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.15 1jt6 n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jt6 n GLY 19 N -0.04 -2.67 0.10 7.41 0.00 0.36 -4.24 105.19 106.11 1jt6 n GLY 19 Ca 0.00 -1.67 -0.03 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.18 -1.24 1.61 3.20 -1.77 -3.31 116.97 115.28 1jt6 h TYR 20 Ca 0.00 -0.00 0.37 0.00 3.14 0.00 0.00 58.73 62.23 1jt6 h TYR 20 Cb 0.00 0.06 -0.10 0.00 1.54 0.00 0.00 36.73 38.23 1jt6 h TYR 20 CO 0.00 -0.11 0.82 -0.91 -1.64 0.00 0.00 178.16 176.32 1jt6 h ASN 21 N -0.63 0.26 0.52 -2.11 2.35 -1.91 -1.00 115.58 113.06 1jt6 h ASN 21 Ca -0.02 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1jt6 h ASN 21 Cb 0.15 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1jt6 h ASN 21 CO 0.03 -0.04 -0.42 0.00 -1.65 0.00 0.00 177.43 175.35 1jt6 n ALA 22 N -2.57 3.36 -2.61 -0.83 0.00 -1.26 -4.77 120.51 111.84 1jt6 n ALA 22 Ca 0.31 -0.33 -0.39 0.00 0.00 0.00 0.00 53.44 53.03 1jt6 n ALA 22 Cb 1.24 -1.16 -0.09 0.00 0.00 0.00 0.00 19.45 19.44 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 -2.94 5.14 0.15 0.00 2.01 -0.38 -5.03 115.64 114.59 1jt6 s THR 23 Ca 0.13 0.64 0.07 0.00 0.31 0.00 0.00 61.69 62.85 1jt6 s THR 23 Cb 0.18 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1jt6 s THR 23 CO 0.66 0.13 -0.04 0.42 -0.69 0.00 0.00 174.62 175.09 1jt6 s THR 24 N 2.14 3.55 0.25 -0.82 -4.23 -1.26 -4.98 115.64 110.30 1jt6 s THR 24 Ca 0.17 -1.40 -0.04 0.00 -1.18 0.00 0.00 61.69 59.24 1jt6 s THR 24 Cb -0.16 -2.74 0.25 0.00 1.34 0.00 0.00 72.50 71.19 1jt6 s THR 24 CO 0.10 -0.04 1.68 0.71 -0.54 0.00 0.00 174.62 176.53 1jt6 h THR 25 N 2.75 0.49 -0.44 3.99 1.35 -1.98 0.74 112.91 119.81 1jt6 h THR 25 Ca -0.47 -0.09 0.09 0.00 -0.55 0.00 0.00 66.41 65.38 1jt6 h THR 25 Cb 1.19 0.20 -0.08 0.00 -1.73 0.00 0.00 68.15 67.72 1jt6 h THR 25 CO 0.56 0.05 -0.11 1.23 -0.25 0.00 0.00 175.52 177.00 1jt6 h GLY 26 N 0.27 0.32 1.69 5.82 0.00 -1.98 1.14 103.07 110.32 1jt6 h GLY 26 Ca 0.44 0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.82 1jt6 h GLY 26 CO -0.53 -0.17 -0.29 -2.09 0.00 0.00 0.00 176.54 173.46 1jt6 h GLU 27 N 0.00 0.36 0.14 4.80 4.81 -1.36 -1.14 114.58 122.20 1jt6 h GLU 27 Ca 0.21 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1jt6 h GLU 27 Cb 0.32 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1jt6 h GLU 27 CO -0.45 0.62 -0.07 0.82 -0.73 0.00 0.00 179.01 179.20 1jt6 h ILE 28 N 0.32 1.01 -0.75 2.32 2.04 0.22 -2.90 117.51 119.77 1jt6 h ILE 28 Ca 0.04 -1.06 0.06 0.00 1.00 0.00 0.00 64.86 64.90 1jt6 h ILE 28 Cb 0.68 1.63 -0.06 0.00 -0.74 0.00 0.00 36.82 38.33 1jt6 h ILE 28 CO 0.05 0.23 0.44 0.58 0.00 0.00 0.00 178.15 179.46 1jt6 h VAL 29 N -0.73 1.01 0.00 1.67 2.07 0.13 -2.59 116.25 117.81 1jt6 h VAL 29 Ca -0.02 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1jt6 h VAL 29 Cb 0.52 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1jt6 h VAL 29 CO 0.03 0.15 -0.33 2.29 0.02 0.00 0.00 177.57 179.73 1jt6 n LYS 30 N -4.71 0.28 0.03 1.57 2.85 -0.44 -1.25 118.16 116.50 1jt6 n LYS 30 Ca 0.10 0.15 0.12 0.00 -1.05 0.00 0.00 58.31 57.63 1jt6 n LYS 30 Cb 0.17 -1.75 0.11 0.00 -0.65 0.00 0.00 35.03 32.90 1jt6 n LYS 30 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1jt6 n LEU 31 N -2.20 0.63 -0.55 -5.58 7.94 -1.09 -3.40 117.00 112.75 1jt6 n LEU 31 Ca 0.04 0.06 0.06 0.00 -1.11 0.00 0.00 56.01 55.06 1jt6 n LEU 31 Cb 0.44 -0.15 0.19 0.00 0.53 0.00 0.00 43.42 44.43 1jt6 n LEU 31 CO 0.34 0.03 0.54 -1.54 -1.11 0.00 0.00 177.39 175.64 1jt6 n SER 32 N -1.93 2.35 -2.19 1.96 3.41 -0.99 -5.04 113.62 111.18 1jt6 n SER 32 Ca 0.03 -3.48 -0.08 0.00 -0.26 0.00 0.00 58.87 55.08 1jt6 n SER 32 Cb 0.42 -0.52 0.01 0.00 -0.26 0.00 0.00 64.21 63.86 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 -1.16 -0.47 0.00 4.33 1.02 -1.04 -4.78 120.64 118.55 1jt6 n GLU 33 Ca 0.21 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 1jt6 n GLU 33 Cb 0.76 -0.76 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 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 1.03 0.00 -4.10 1.62 2.88 -0.38 -5.02 113.62 109.64 1jt6 n SER 34 Ca -0.02 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.43 1jt6 n SER 34 Cb 0.33 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.68 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 2.00 0.76 0.23 -3.46 1.04 -1.26 -4.66 113.70 108.35 1jt6 s SER 35 Ca 0.00 -0.85 -0.08 0.00 0.48 0.00 0.00 55.95 55.50 1jt6 s SER 35 Cb 0.00 0.12 0.20 0.00 0.10 0.00 0.00 66.02 66.44 1jt6 s SER 35 CO 0.00 -0.44 1.87 0.50 0.98 0.00 0.00 173.24 176.15 1jt6 h LYS 36 N 3.53 1.20 -0.93 4.02 3.64 -1.94 -1.51 116.57 124.57 1jt6 h LYS 36 Ca -0.35 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 58.94 1jt6 h LYS 36 Cb 1.17 -0.25 -0.05 0.00 -0.41 0.00 0.00 32.23 32.69 1jt6 h LYS 36 CO 0.58 0.85 0.61 0.78 -2.27 0.00 0.00 179.45 180.00 1jt6 h GLY 37 N 1.21 1.33 0.95 5.01 0.00 -1.97 0.37 103.07 109.96 1jt6 h GLY 37 Ca 0.31 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 1jt6 h GLY 37 CO -0.06 0.43 -0.43 -0.57 0.00 0.00 0.00 176.54 175.92 1jt6 h ASN 38 N 1.21 -1.01 -0.64 0.19 -0.73 -1.80 -0.08 115.58 112.71 1jt6 h ASN 38 Ca 0.36 0.03 0.09 0.00 1.87 0.00 0.00 56.30 58.65 1jt6 h ASN 38 Cb -0.05 0.26 -0.07 0.00 0.27 0.00 0.00 38.32 38.73 1jt6 h ASN 38 CO -0.10 -0.69 0.27 0.25 -0.37 0.00 0.00 177.43 176.79 1jt6 h LEU 39 N -1.27 0.30 -1.99 0.34 6.46 -0.99 0.19 115.31 118.35 1jt6 h LEU 39 Ca -0.12 0.07 0.04 0.00 -0.12 0.00 0.00 57.88 57.75 1jt6 h LEU 39 Cb 0.92 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.88 1jt6 h LEU 39 CO 0.20 0.17 0.10 1.88 -0.62 0.00 0.00 178.44 180.18 1jt6 h TYR 40 N 0.47 0.01 0.07 1.25 -1.99 -0.11 -1.10 116.97 115.57 1jt6 h TYR 40 Ca 0.32 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.05 1jt6 h TYR 40 Cb 0.37 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.10 1jt6 h TYR 40 CO -0.15 0.01 -0.03 -0.92 -0.00 0.00 0.00 178.16 177.07 1jt6 h TYR 41 N 0.01 -0.09 -0.12 4.88 3.20 0.13 -1.53 116.97 123.46 1jt6 h TYR 41 Ca 0.07 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 1jt6 h TYR 41 Cb 0.26 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1jt6 h TYR 41 CO -0.00 0.49 -0.28 0.45 -1.64 0.00 0.00 178.16 177.17 1jt6 h HIS 42 N -0.79 0.24 0.00 -3.82 3.86 -0.91 -3.38 115.15 110.36 1jt6 h HIS 42 Ca -0.01 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1jt6 h HIS 42 Cb 0.61 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1jt6 h HIS 42 CO 0.13 0.49 -0.07 1.19 0.86 0.00 0.00 177.93 180.52 1jt6 n PHE 43 N -4.14 0.00 0.00 2.45 3.01 -0.45 -5.07 117.46 113.26 1jt6 n PHE 43 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1jt6 n PHE 43 Cb 0.38 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.85 1jt6 n PHE 43 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1jt6 n LYS 44 N -0.38 0.00 -3.97 -1.08 5.02 -0.58 -4.31 118.16 112.86 1jt6 n LYS 44 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 1jt6 n LYS 44 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 1jt6 n LYS 44 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1jt6 s THR 45 N 0.00 5.09 0.32 -0.18 -1.32 -1.26 -4.29 115.64 114.00 1jt6 s THR 45 Ca 0.00 -0.51 0.06 0.00 -1.21 0.00 0.00 61.69 60.02 1jt6 s THR 45 Cb 0.00 -3.47 0.31 0.00 -1.51 0.00 0.00 72.50 67.82 1jt6 s THR 45 CO 0.00 0.14 1.84 0.50 -2.21 0.00 0.00 174.62 174.89 1jt6 h LYS 46 N 3.18 0.79 0.00 7.08 3.64 -1.96 0.39 116.57 129.69 1jt6 h LYS 46 Ca -0.46 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.86 1jt6 h LYS 46 Cb 1.16 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1jt6 h LYS 46 CO 0.72 0.52 -0.07 1.05 -2.27 0.00 0.00 179.45 179.41 1jt6 h GLU 47 N 0.82 0.00 0.14 1.90 -0.00 -1.95 -1.58 114.58 113.91 1jt6 h GLU 47 Ca 0.49 0.00 -0.30 0.00 -0.00 0.00 0.00 59.36 59.55 1jt6 h GLU 47 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.43 1jt6 h GLU 47 CO -0.26 0.07 -1.44 -0.97 -0.00 0.00 0.00 179.01 176.41 1jt6 h ASN 48 N 0.00 0.47 -0.84 3.06 -1.24 -0.53 -2.53 115.58 113.98 1jt6 h ASN 48 Ca -0.00 -0.58 0.04 0.00 0.71 0.00 0.00 56.30 56.47 1jt6 h ASN 48 Cb 0.18 -0.15 -0.05 0.00 0.73 0.00 0.00 38.32 39.02 1jt6 h ASN 48 CO 0.01 1.47 0.53 0.25 -1.29 0.00 0.00 177.43 178.40 1jt6 h LEU 49 N 0.08 0.87 -0.41 0.34 5.85 -0.49 -1.17 115.31 120.38 1jt6 h LEU 49 Ca -0.21 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.40 1jt6 h LEU 49 Cb 2.03 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.86 1jt6 h LEU 49 CO 0.19 0.59 -0.15 0.15 -0.34 0.00 0.00 178.44 178.88 1jt6 h PHE 50 N 1.02 0.94 -0.20 1.25 3.04 -1.34 -0.62 116.94 121.02 1jt6 h PHE 50 Ca 0.34 -0.22 -0.05 0.00 3.98 0.00 0.00 57.97 62.02 1jt6 h PHE 50 Cb 0.05 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.33 1jt6 h PHE 50 CO -0.03 0.97 -0.10 -0.07 -2.02 0.00 0.00 178.31 177.06 1jt6 h LEU 51 N 0.64 0.30 -0.19 0.59 3.38 -1.10 0.38 115.31 119.31 1jt6 h LEU 51 Ca 0.10 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1jt6 h LEU 51 Cb 0.69 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1jt6 h LEU 51 CO 0.05 0.43 0.01 -0.08 0.09 0.00 0.00 178.44 178.95 1jt6 h GLU 52 N 0.30 0.33 -0.42 1.13 4.81 -0.81 -1.68 114.58 118.26 1jt6 h GLU 52 Ca 0.06 -0.10 0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1jt6 h GLU 52 Cb 0.37 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.64 1jt6 h GLU 52 CO 0.02 0.52 -0.02 0.82 -0.73 0.00 0.00 179.01 179.62 1jt6 h ILE 53 N 0.10 0.67 -0.66 2.32 1.08 -0.48 -1.79 117.51 118.76 1jt6 h ILE 53 Ca 0.06 -0.03 0.10 0.00 -0.39 0.00 0.00 64.86 64.60 1jt6 h ILE 53 Cb 0.36 0.57 -0.04 0.00 -3.07 0.00 0.00 36.82 34.64 1jt6 h ILE 53 CO 0.01 0.02 0.44 -0.07 -0.69 0.00 0.00 178.15 177.85 1jt6 h LEU 54 N 0.09 0.44 -0.00 1.44 4.07 -0.53 -1.05 115.31 119.77 1jt6 h LEU 54 Ca 0.21 0.01 -0.22 0.00 0.08 0.00 0.00 57.88 57.95 1jt6 h LEU 54 Cb 0.30 -0.08 0.02 0.00 1.08 0.00 0.00 40.66 41.98 1jt6 h LEU 54 CO -0.36 0.26 -0.87 0.78 -1.08 0.00 0.00 178.44 177.17 1jt6 h ASN 55 N 0.49 0.77 0.37 -0.43 2.35 -0.51 -1.38 115.58 117.25 1jt6 h ASN 55 Ca 0.30 -0.75 -0.01 0.00 -0.55 0.00 0.00 56.30 55.30 1jt6 h ASN 55 Cb 0.54 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 1jt6 h ASN 55 CO -0.09 1.42 -0.31 0.40 -1.65 0.00 0.00 177.43 177.20 1jt6 h ILE 56 N 0.20 0.36 -0.44 2.81 1.08 -0.60 0.12 117.51 121.06 1jt6 h ILE 56 Ca -0.11 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.41 1jt6 h ILE 56 Cb 1.55 0.36 -0.05 0.00 -3.07 0.00 0.00 36.82 35.62 1jt6 h ILE 56 CO 0.17 0.00 0.17 -0.33 -0.69 0.00 0.00 178.15 177.47 1jt6 h GLU 57 N -0.69 0.33 -0.30 2.37 4.39 -1.31 0.36 114.58 119.74 1jt6 h GLU 57 Ca -0.03 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.72 1jt6 h GLU 57 Cb 0.60 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 29.11 1jt6 h GLU 57 CO -0.02 0.22 -0.15 0.93 -1.16 0.00 0.00 179.01 178.83 1jt6 h GLU 58 N 0.35 -0.10 -0.31 2.33 4.39 -0.88 0.38 114.58 120.73 1jt6 h GLU 58 Ca 0.20 0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.74 1jt6 h GLU 58 Cb 0.18 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1jt6 h GLU 58 CO -0.20 -0.07 -0.49 0.66 -1.16 0.00 0.00 179.01 177.75 1jt6 h SER 59 N -0.11 0.96 -0.59 1.42 4.64 0.05 -1.49 113.55 118.44 1jt6 h SER 59 Ca 0.16 -0.52 0.02 0.00 -0.47 0.00 0.00 61.79 60.98 1jt6 h SER 59 Cb 0.34 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 1jt6 h SER 59 CO -0.37 1.30 0.39 0.11 -0.87 0.00 0.00 176.83 177.39 1jt6 h LYS 60 N 0.66 0.72 -0.05 4.77 1.57 0.22 0.13 116.57 124.59 1jt6 h LYS 60 Ca 0.03 -0.04 -0.22 0.00 -1.87 0.00 0.00 60.65 58.54 1jt6 h LYS 60 Cb 1.10 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 33.25 1jt6 h LYS 60 CO 0.11 0.48 -0.87 2.35 -0.57 0.00 0.00 179.45 180.95 1jt6 h TRP 61 N 0.74 0.77 0.00 -1.35 -0.00 -0.79 -1.40 115.95 113.92 1jt6 h TRP 61 Ca 0.23 -0.38 -0.05 0.00 -0.00 0.00 0.00 58.89 58.68 1jt6 h TRP 61 Cb -0.01 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.16 29.04 1jt6 h TRP 61 CO -0.00 1.19 -0.25 0.37 -0.00 0.00 0.00 178.44 179.75 1jt6 h GLN 62 N 0.34 0.00 0.21 2.65 4.15 -0.71 -2.21 115.11 119.54 1jt6 h GLN 62 Ca -0.07 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.05 1jt6 h GLN 62 Cb 1.50 0.00 0.03 0.00 0.21 0.00 0.00 27.48 29.22 1jt6 h GLN 62 CO 0.16 0.25 -1.33 1.49 -1.93 0.00 0.00 178.83 177.47 1jt6 h GLU 63 N 0.00 0.45 -0.26 1.69 4.81 -0.70 -2.98 114.58 117.59 1jt6 h GLU 63 Ca -0.00 -0.77 -0.06 0.00 -0.13 0.00 0.00 59.36 58.40 1jt6 h GLU 63 Cb 0.87 0.29 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1jt6 h GLU 63 CO 0.03 1.37 -0.09 0.37 -0.73 0.00 0.00 179.01 179.96 1jt6 h GLN 64 N -0.02 0.41 0.00 1.92 4.15 -1.19 -1.68 115.11 118.71 1jt6 h GLN 64 Ca -0.24 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 59.06 1jt6 h GLN 64 Cb 2.00 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 29.64 1jt6 h GLN 64 CO 0.22 0.51 -0.11 2.35 -1.93 0.00 0.00 178.83 179.87 1jt6 h TRP 65 N 0.39 0.00 -0.10 3.99 -0.00 -1.44 -2.26 115.95 116.53 1jt6 h TRP 65 Ca 0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 58.89 58.86 1jt6 h TRP 65 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.56 1jt6 h TRP 65 CO 0.01 0.11 -0.35 -0.22 -0.00 0.00 0.00 178.44 177.98 1jt6 h LYS 66 N 0.00 0.41 0.00 2.65 1.63 -1.15 -1.68 116.57 118.43 1jt6 h LYS 66 Ca -0.00 -0.31 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 1jt6 h LYS 66 Cb 0.75 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.44 1jt6 h LYS 66 CO 0.01 0.94 0.00 0.87 -3.45 0.00 0.00 179.45 177.82 1jt6 h LYS 67 N -0.03 0.00 0.00 1.90 1.57 -1.26 -3.31 116.57 115.44 1jt6 h LYS 67 Ca -0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1jt6 h LYS 67 Cb 0.99 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 1jt6 h LYS 67 CO 0.07 0.00 -1.62 0.39 -0.57 0.00 0.00 179.45 177.72 1jt6 n GLU 68 N -2.50 0.42 0.18 3.15 1.02 -0.87 -4.54 120.64 117.49 1jt6 n GLU 68 Ca 0.03 -0.12 0.14 0.00 -0.02 0.00 0.00 57.16 57.18 1jt6 n GLU 68 Cb 0.31 -1.32 0.62 0.00 -0.02 0.00 0.00 31.44 31.03 1jt6 n GLU 68 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1jt6 h GLN 69 N 0.00 0.00 -0.68 3.49 3.07 -1.39 -2.94 115.11 116.65 1jt6 h GLN 69 Ca -0.00 0.00 0.08 0.00 0.09 0.00 0.00 58.65 58.82 1jt6 h GLN 69 Cb 0.62 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 28.12 1jt6 h GLN 69 CO 0.00 0.00 0.34 0.82 0.09 0.00 0.00 178.83 180.08 1jt6 h ILE 70 N 0.00 0.87 0.00 1.86 2.04 -1.80 -2.08 117.51 118.40 1jt6 h ILE 70 Ca 0.00 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1jt6 h ILE 70 Cb 0.25 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1jt6 h ILE 70 CO 0.00 0.11 0.00 0.29 0.00 0.00 0.00 178.15 178.55 1jt6 n LYS 71 N -4.86 0.00 -3.96 2.37 5.02 -1.11 -4.31 118.16 111.31 1jt6 n LYS 71 Ca 0.10 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.09 1jt6 n LYS 71 Cb 0.25 -1.23 -0.16 0.00 -0.02 0.00 0.00 35.03 33.87 1jt6 n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jt6 s ALA 72 N -1.89 1.76 -0.01 7.82 0.00 -0.78 -5.04 121.76 123.61 1jt6 s ALA 72 Ca 0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 50.86 1jt6 s ALA 72 Cb 0.00 -1.17 -0.06 0.00 0.00 0.00 0.00 23.12 21.89 1jt6 s ALA 72 CO 0.00 -0.72 0.68 1.57 0.00 0.00 0.00 175.76 177.30 1jt6 h LYS 73 N 8.05 -0.38 -7.43 0.00 2.10 -1.85 -3.44 116.57 113.61 1jt6 h LYS 73 Ca -0.28 0.03 -0.50 0.00 -2.00 0.00 0.00 60.65 57.90 1jt6 h LYS 73 Cb 1.11 0.09 0.08 0.00 -0.90 0.00 0.00 32.23 32.60 1jt6 h LYS 73 CO 0.45 -0.25 0.41 0.95 -2.00 0.00 0.00 179.45 179.00 1jt6 s THR 74 N -3.05 3.80 0.09 0.07 -4.23 -1.26 -4.95 115.64 106.10 1jt6 s THR 74 Ca -0.06 0.58 0.18 0.00 -1.18 0.00 0.00 61.69 61.21 1jt6 s THR 74 Cb 0.01 -3.54 0.11 0.00 1.34 0.00 0.00 72.50 70.42 1jt6 s THR 74 CO 0.17 -0.76 1.65 0.78 -0.54 0.00 0.00 174.62 175.92 1jt6 h ASN 75 N -0.62 0.00 -0.33 3.99 4.21 -1.91 -1.99 115.58 118.93 1jt6 h ASN 75 Ca -0.45 0.00 0.01 0.00 1.21 0.00 0.00 56.30 57.07 1jt6 h ASN 75 Cb 1.24 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.42 1jt6 h ASN 75 CO 0.62 0.43 0.22 -0.09 -1.29 0.00 0.00 177.43 177.32 1jt6 h ARG 76 N 0.00 0.41 0.00 0.81 2.43 -1.93 -1.11 114.38 114.99 1jt6 h ARG 76 Ca -0.00 -0.02 -0.24 0.00 -0.81 0.00 0.00 59.98 58.91 1jt6 h ARG 76 Cb 1.04 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.47 1jt6 h ARG 76 CO 0.06 0.27 -1.22 0.93 -1.51 0.00 0.00 179.97 178.50 1jt6 h GLU 77 N 0.42 0.00 -0.32 0.20 5.08 -1.76 -3.05 114.58 115.15 1jt6 h GLU 77 Ca 0.13 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1jt6 h GLU 77 Cb -0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1jt6 h GLU 77 CO -0.03 0.84 -0.12 0.87 -1.00 0.00 0.00 179.01 179.58 1jt6 h LYS 78 N 0.00 0.54 0.44 2.33 1.57 -0.80 0.12 116.57 120.77 1jt6 h LYS 78 Ca -0.09 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 1jt6 h LYS 78 Cb 1.85 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.10 1jt6 h LYS 78 CO 0.11 0.65 -0.21 0.35 -0.57 0.00 0.00 179.45 179.79 1jt6 h PHE 79 N 0.50 -0.55 -0.58 -1.35 3.57 -1.21 0.20 116.94 117.53 1jt6 h PHE 79 Ca 0.09 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.62 1jt6 h PHE 79 Cb 0.50 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.38 1jt6 h PHE 79 CO 0.02 -0.27 0.33 1.88 -2.23 0.00 0.00 178.31 178.03 1jt6 h TYR 80 N -0.72 0.61 -0.48 0.41 0.05 -1.43 -2.64 116.97 112.77 1jt6 h TYR 80 Ca -0.06 0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.65 1jt6 h TYR 80 Cb 0.52 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 1jt6 h TYR 80 CO -0.02 0.32 -0.04 1.25 -1.05 0.00 0.00 178.16 178.62 1jt6 h LEU 81 N 0.63 0.87 -0.15 3.88 5.85 -0.79 -2.00 115.31 123.60 1jt6 h LEU 81 Ca 0.25 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1jt6 h LEU 81 Cb 0.10 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1jt6 h LEU 81 CO -0.14 0.99 0.07 0.22 -0.34 0.00 0.00 178.44 179.24 1jt6 h TYR 82 N 0.74 0.23 -0.59 1.25 3.20 -0.47 -1.22 116.97 120.10 1jt6 h TYR 82 Ca 0.13 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.02 1jt6 h TYR 82 Cb 0.57 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.73 1jt6 h TYR 82 CO 0.04 0.27 0.35 -0.91 -1.64 0.00 0.00 178.16 176.28 1jt6 h ASN 83 N 0.11 0.56 -0.21 -2.11 -0.26 -1.43 -1.08 115.58 111.16 1jt6 h ASN 83 Ca 0.05 0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.79 1jt6 h ASN 83 Cb 0.14 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 1jt6 h ASN 83 CO -0.01 0.39 0.10 -0.33 -1.06 0.00 0.00 177.43 176.53 1jt6 h GLU 84 N 0.69 0.31 -0.11 0.81 5.08 -1.27 -2.79 114.58 117.30 1jt6 h GLU 84 Ca 0.24 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1jt6 h GLU 84 Cb 0.05 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1jt6 h GLU 84 CO -0.11 0.32 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.11 1jt6 h LEU 85 N 0.22 0.14 -1.98 1.33 3.38 -0.81 -2.46 115.31 115.12 1jt6 h LEU 85 Ca 0.07 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.13 1jt6 h LEU 85 Cb 0.11 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1jt6 h LEU 85 CO -0.01 0.20 0.26 0.28 0.09 0.00 0.00 178.44 179.27 1jt6 h SER 86 N 0.15 0.02 1.52 -0.43 0.02 -0.91 0.12 113.55 114.04 1jt6 h SER 86 Ca 0.04 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 1jt6 h SER 86 Cb 0.17 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1jt6 h SER 86 CO 0.01 0.01 -0.26 -0.07 -1.14 0.00 0.00 176.83 175.38 1jt6 h LEU 87 N 0.02 0.00 0.00 5.07 3.38 -1.51 -3.37 115.31 118.90 1jt6 h LEU 87 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1jt6 h LEU 87 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1jt6 h LEU 87 CO -0.01 0.26 -1.18 0.35 0.09 0.00 0.00 178.44 177.95 1jt6 n THR 88 N -3.21 0.00 -1.16 0.22 -2.24 0.23 -5.03 114.28 103.09 1jt6 n THR 88 Ca 0.02 -0.23 -0.33 0.00 -2.27 0.00 0.00 64.05 61.23 1jt6 n THR 88 Cb 0.58 0.46 0.12 0.00 -2.10 0.00 0.00 70.33 69.40 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 -2.47 2.10 -1.35 4.28 -1.32 -0.18 -4.90 115.64 111.81 1jt6 s THR 89 Ca -0.02 0.04 0.25 0.00 -1.21 0.00 0.00 61.69 60.76 1jt6 s THR 89 Cb 0.06 -2.47 0.08 0.00 -1.51 0.00 0.00 72.50 68.67 1jt6 s THR 89 CO 0.39 -0.03 1.41 -1.84 -2.21 0.00 0.00 174.62 172.34 1jt6 n GLU 90 N -3.22 0.39 -3.57 7.08 0.28 -1.26 -4.89 120.64 115.44 1jt6 n GLU 90 Ca 0.13 -0.24 -0.37 0.00 -0.16 0.00 0.00 57.16 56.52 1jt6 n GLU 90 Cb 0.50 -1.49 -0.06 0.00 1.43 0.00 0.00 31.44 31.82 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 -2.78 3.66 0.00 -1.84 1.51 -1.26 -4.70 117.35 111.94 1jt6 s TYR 91 Ca 0.16 0.86 0.00 0.00 -1.01 0.00 0.00 57.07 57.09 1jt6 s TYR 91 Cb 0.18 -2.20 0.00 0.00 -0.11 0.00 0.00 41.96 39.83 1jt6 s TYR 91 CO 0.64 0.61 0.00 0.98 -1.11 0.00 0.00 175.55 176.67 1jt6 n TYR 92 N 1.49 0.00 -0.13 2.71 4.19 -1.26 -4.39 117.16 119.78 1jt6 n TYR 92 Ca -0.12 0.00 0.28 0.00 3.31 0.00 0.00 57.90 61.36 1jt6 n TYR 92 Cb 0.53 0.00 0.71 0.00 0.49 0.00 0.00 39.34 41.07 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 0.00 0.00 2.98 0.05 -1.90 0.38 116.97 118.47 1jt6 h TYR 93 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1jt6 h TYR 93 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1jt6 h TYR 93 CO 0.00 0.00 0.00 -2.30 -1.05 0.00 0.00 178.16 174.81 1jt6 n PRO 94 N -3.93 0.21 0.00 4.88 -0.02 -1.26 -2.61 135.00 132.27 1jt6 n PRO 94 Ca 0.17 0.36 0.13 0.00 -2.02 0.00 0.00 63.50 62.15 1jt6 n PRO 94 Cb 0.98 -1.85 0.41 0.00 -0.02 0.00 0.00 33.50 33.03 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 -2.23 1.53 -0.29 2.45 4.77 0.13 -4.45 117.00 118.91 1jt6 n LEU 95 Ca 0.03 -0.49 0.10 0.00 -0.03 0.00 0.00 56.01 55.62 1jt6 n LEU 95 Cb 0.28 -0.04 0.25 0.00 -2.33 0.00 0.00 43.42 41.59 1jt6 n LEU 95 CO 0.22 0.26 1.02 -0.61 -1.33 0.00 0.00 177.39 176.95 1jt6 h GLN 96 N 2.23 0.38 -0.72 3.23 5.75 -1.56 0.18 115.11 124.60 1jt6 h GLN 96 Ca 0.00 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.41 1jt6 h GLN 96 Cb 0.56 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.00 1jt6 h GLN 96 CO 0.00 0.25 0.19 -0.97 -2.65 0.00 0.00 178.83 175.65 1jt6 h ASN 97 N 0.39 1.08 0.59 -0.69 -0.73 -1.85 -1.22 115.58 113.15 1jt6 h ASN 97 Ca 0.50 -0.23 -0.12 0.00 1.87 0.00 0.00 56.30 58.32 1jt6 h ASN 97 Cb 0.88 -0.29 -0.02 0.00 0.27 0.00 0.00 38.32 39.17 1jt6 h ASN 97 CO -0.50 1.03 -0.59 0.00 -0.37 0.00 0.00 177.43 177.00 1jt6 h ALA 98 N 1.10 1.03 -0.43 1.57 0.00 -1.12 -2.99 119.26 118.41 1jt6 h ALA 98 Ca 0.23 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1jt6 h ALA 98 Cb 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1jt6 h ALA 98 CO -0.00 0.74 -0.14 0.82 0.00 0.00 0.00 179.25 180.67 1jt6 h ILE 99 N 0.00 1.27 0.48 0.00 2.04 -0.30 -1.67 117.51 119.33 1jt6 h ILE 99 Ca -0.01 -1.26 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 1jt6 h ILE 99 Cb 1.04 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 1jt6 h ILE 99 CO 0.08 0.43 -0.49 0.40 0.00 0.00 0.00 178.15 178.57 1jt6 h ILE 100 N 0.68 0.00 -0.93 -0.67 1.08 -1.16 0.13 117.51 116.65 1jt6 h ILE 100 Ca 0.11 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.73 1jt6 h ILE 100 Cb 0.68 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.34 1jt6 h ILE 100 CO 0.05 0.00 0.53 -0.33 -0.69 0.00 0.00 178.15 177.71 1jt6 h GLU 101 N -0.96 0.72 -0.36 2.37 5.08 -1.49 -1.02 114.58 118.92 1jt6 h GLU 101 Ca -0.06 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 1jt6 h GLU 101 Cb 0.84 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1jt6 h GLU 101 CO -0.07 0.48 -0.11 0.35 -1.00 0.00 0.00 179.01 178.67 1jt6 h PHE 102 N 0.75 0.80 -0.64 4.33 3.04 -0.93 -2.95 116.94 121.33 1jt6 h PHE 102 Ca 0.50 -0.18 -0.09 0.00 3.98 0.00 0.00 57.97 62.19 1jt6 h PHE 102 Cb 0.68 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.98 1jt6 h PHE 102 CO -0.05 0.87 0.05 -0.92 -2.02 0.00 0.00 178.31 176.24 1jt6 h TYR 103 N 0.49 1.18 0.00 0.41 5.03 0.33 -2.32 116.97 122.08 1jt6 h TYR 103 Ca 0.09 -0.18 0.00 0.00 2.58 0.00 0.00 58.73 61.21 1jt6 h TYR 103 Cb 0.62 -0.31 0.00 0.00 1.55 0.00 0.00 36.73 38.59 1jt6 h TYR 103 CO 0.05 1.01 0.00 1.79 -1.32 0.00 0.00 178.16 179.69 1jt6 h THR 104 N 1.00 0.00 -0.35 1.81 1.35 -1.17 -1.68 112.91 113.88 1jt6 h THR 104 Ca 0.19 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1jt6 h THR 104 Cb 0.51 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1jt6 h THR 104 CO 0.02 0.00 0.00 1.21 -0.25 0.00 0.00 175.52 176.50 1jt6 n GLU 105 N -2.92 2.29 0.00 4.72 2.13 -0.90 -4.50 120.64 121.46 1jt6 n GLU 105 Ca -0.00 -1.95 0.00 0.00 0.66 0.00 0.00 57.16 55.87 1jt6 n GLU 105 Cb 0.23 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.46 1jt6 n GLU 105 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1jt6 n TYR 106 N 1.16 0.00 0.28 4.31 4.01 -0.77 -4.83 117.16 121.32 1jt6 n TYR 106 Ca 0.18 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 58.06 1jt6 n TYR 106 Cb 0.52 0.04 0.81 0.00 -0.31 0.00 0.00 39.34 40.40 1jt6 n TYR 106 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 1jt6 h TYR 107 N 0.00 0.00 0.00 -0.72 -0.00 -1.56 -3.23 116.97 111.46 1jt6 h TYR 107 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1jt6 h TYR 107 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.44 1jt6 h TYR 107 CO 0.00 0.06 0.00 1.17 -0.00 0.00 0.00 178.16 179.39 1jt6 n LYS 108 N -3.78 0.00 -1.54 0.10 3.00 -1.26 -4.44 118.16 110.23 1jt6 n LYS 108 Ca -0.02 0.29 -0.37 0.00 -0.00 0.00 0.00 58.31 58.21 1jt6 n LYS 108 Cb 0.16 -1.23 -0.05 0.00 0.00 0.00 0.00 35.03 33.91 1jt6 n LYS 108 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1jt6 n THR 109 N -1.28 -0.05 0.12 3.15 -2.24 -1.22 -4.80 114.28 107.96 1jt6 n THR 109 Ca 0.00 -0.67 0.17 0.00 -2.27 0.00 0.00 64.05 61.28 1jt6 n THR 109 Cb 0.00 -2.48 0.54 0.00 -2.10 0.00 0.00 70.33 66.29 1jt6 n THR 109 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1jt6 h ASN 110 N 18.29 0.00 0.55 3.42 -1.24 -1.84 -2.62 115.58 132.13 1jt6 h ASN 110 Ca -0.23 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.76 1jt6 h ASN 110 Cb 1.27 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.31 1jt6 h ASN 110 CO 1.17 0.00 -0.42 -1.28 -1.29 0.00 0.00 177.43 175.62 1jt6 h SER 111 N 0.00 -1.09 -0.07 1.15 0.87 -1.92 -3.01 113.55 109.48 1jt6 h SER 111 Ca 0.19 0.07 -0.13 0.00 -1.23 0.00 0.00 61.79 60.69 1jt6 h SER 111 Cb 1.63 0.34 -0.01 0.00 -0.44 0.00 0.00 62.40 63.92 1jt6 h SER 111 CO -0.00 -0.59 -0.37 0.40 -0.53 0.00 0.00 176.83 175.73 1jt6 h ILE 112 N -0.93 1.29 -0.53 2.23 1.08 -1.77 -3.00 117.51 115.89 1jt6 h ILE 112 Ca -0.07 -1.51 0.15 0.00 -0.39 0.00 0.00 64.86 63.04 1jt6 h ILE 112 Cb 0.77 1.50 -0.02 0.00 -3.07 0.00 0.00 36.82 35.99 1jt6 h ILE 112 CO 0.02 0.48 0.43 -1.13 -0.69 0.00 0.00 178.15 177.26 1jt6 h ASN 113 N 0.48 0.00 0.60 1.72 -1.24 -1.52 -2.05 115.58 113.57 1jt6 h ASN 113 Ca 0.05 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.03 1jt6 h ASN 113 Cb 0.86 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.92 1jt6 h ASN 113 CO 0.07 0.00 -0.29 -0.33 -1.29 0.00 0.00 177.43 175.60 1jt6 h GLU 114 N 0.00 -0.78 -1.05 6.67 5.08 -1.38 -2.46 114.58 120.66 1jt6 h GLU 114 Ca 0.25 0.05 0.28 0.00 -1.00 0.00 0.00 59.36 58.94 1jt6 h GLU 114 Cb 1.11 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 30.46 1jt6 h GLU 114 CO -0.00 -0.52 0.70 0.87 -1.00 0.00 0.00 179.01 179.06 1jt6 h LYS 115 N -1.18 0.25 0.00 2.33 1.57 -1.54 0.34 116.57 118.33 1jt6 h LYS 115 Ca -0.08 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.50 1jt6 h LYS 115 Cb 0.62 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1jt6 h LYS 115 CO 0.14 0.17 -0.83 0.52 -0.57 0.00 0.00 179.45 178.87 1jt6 h MET 116 N 0.26 0.07 0.00 3.15 2.86 -1.37 -2.73 114.93 117.16 1jt6 h MET 116 Ca 0.56 -0.07 -0.16 0.00 -2.06 0.00 0.00 59.70 57.96 1jt6 h MET 116 Cb 1.68 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 33.34 1jt6 h MET 116 CO -0.19 0.85 -0.78 -0.91 1.06 0.00 0.00 176.91 176.95 1jt6 h ASN 117 N 0.04 0.00 0.48 1.22 4.21 -0.48 -1.47 115.58 119.59 1jt6 h ASN 117 Ca -0.02 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.47 1jt6 h ASN 117 Cb 1.45 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.65 1jt6 h ASN 117 CO 0.11 0.78 -0.31 0.50 -1.29 0.00 0.00 177.43 177.23 1jt6 h LYS 118 N 0.00 -0.72 -0.64 0.81 3.64 -1.18 -1.22 116.57 117.26 1jt6 h LYS 118 Ca -0.01 0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.56 1jt6 h LYS 118 Cb 1.46 0.16 -0.11 0.00 -0.41 0.00 0.00 32.23 33.33 1jt6 h LYS 118 CO 0.10 -0.48 -0.02 -0.07 -2.27 0.00 0.00 179.45 176.72 1jt6 h LEU 119 N -0.74 -0.32 -2.20 5.20 3.38 -1.49 0.41 115.31 119.55 1jt6 h LEU 119 Ca -0.06 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1jt6 h LEU 119 Cb 0.60 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1jt6 h LEU 119 CO 0.06 -0.13 -0.02 -0.08 0.09 0.00 0.00 178.44 178.35 1jt6 h GLU 120 N 0.10 0.00 0.00 1.13 4.81 -1.09 -1.05 114.58 118.48 1jt6 h GLU 120 Ca 0.33 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.38 1jt6 h GLU 120 Cb 0.55 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 1jt6 h GLU 120 CO -0.56 0.02 -0.88 -0.91 -0.73 0.00 0.00 179.01 175.95 1jt6 h ASN 121 N 0.00 0.00 -0.11 1.04 2.35 0.33 -2.51 115.58 116.69 1jt6 h ASN 121 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1jt6 h ASN 121 Cb 0.04 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 1jt6 h ASN 121 CO 0.00 0.88 0.04 0.11 -1.65 0.00 0.00 177.43 176.81 1jt6 h LYS 122 N 0.00 0.16 -0.37 0.81 1.79 -0.81 -1.92 116.57 116.23 1jt6 h LYS 122 Ca -0.01 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1jt6 h LYS 122 Cb 1.65 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 32.26 1jt6 h LYS 122 CO 0.11 0.28 0.23 -0.92 -1.08 0.00 0.00 179.45 178.08 1jt6 h TYR 123 N 0.00 0.47 0.00 -1.35 3.20 -1.41 -1.95 116.97 115.94 1jt6 h TYR 123 Ca 0.03 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1jt6 h TYR 123 Cb 0.18 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 1jt6 h TYR 123 CO -0.01 0.31 -0.28 0.82 -1.64 0.00 0.00 178.16 177.36 1jt6 h ILE 124 N 0.50 0.08 -0.69 1.81 1.08 -1.28 -3.36 117.51 115.65 1jt6 h ILE 124 Ca 0.13 -1.12 0.04 0.00 -0.39 0.00 0.00 64.86 63.53 1jt6 h ILE 124 Cb -0.03 1.93 -0.05 0.00 -3.07 0.00 0.00 36.82 35.60 1jt6 h ILE 124 CO -0.03 0.05 0.42 -0.78 -0.69 0.00 0.00 178.15 177.12 1jt6 h ASP 125 N 0.00 0.67 -1.03 1.72 -0.00 -0.52 -1.75 116.42 115.50 1jt6 h ASP 125 Ca -0.00 0.01 0.26 0.00 -0.00 0.00 0.00 57.03 57.29 1jt6 h ASP 125 Cb 1.04 -0.13 -0.11 0.00 -0.00 0.00 0.00 39.33 40.13 1jt6 h ASP 125 CO 0.01 0.45 0.63 0.00 -0.00 0.00 0.00 179.24 180.33 1jt6 h ALA 126 N 1.32 2.00 0.05 -0.78 0.00 -1.71 0.46 119.26 120.60 1jt6 h ALA 126 Ca 0.29 0.10 -0.24 0.00 0.00 0.00 0.00 54.91 55.06 1jt6 h ALA 126 Cb 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1jt6 h ALA 126 CO -0.13 -0.45 -1.09 1.88 0.00 0.00 0.00 179.25 179.46 1jt6 h TYR 127 N 0.49 0.24 0.40 0.00 0.05 -1.59 -2.78 116.97 113.78 1jt6 h TYR 127 Ca 0.62 -0.17 -0.02 0.00 0.05 0.00 0.00 58.73 59.22 1jt6 h TYR 127 Cb 1.37 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 39.10 1jt6 h TYR 127 CO -0.00 1.11 -0.19 1.25 -1.05 0.00 0.00 178.16 179.27 1jt6 h HIS 128 N 0.04 -0.50 -0.02 4.88 2.76 0.42 -1.15 115.15 121.57 1jt6 h HIS 128 Ca -0.07 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.11 1jt6 h HIS 128 Cb 1.82 0.17 -0.05 0.00 1.55 0.00 0.00 27.41 30.91 1jt6 h HIS 128 CO 0.03 -0.28 -0.43 0.28 -1.30 0.00 0.00 177.93 176.23 1jt6 h VAL 129 N -0.60 0.00 -0.79 5.26 2.07 -0.70 0.22 116.25 121.71 1jt6 h VAL 129 Ca -0.06 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.62 1jt6 h VAL 129 Cb 0.45 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.12 1jt6 h VAL 129 CO 0.09 0.00 0.31 0.40 0.02 0.00 0.00 177.57 178.39 1jt6 h ILE 130 N -0.53 0.60 -0.18 4.57 2.04 -1.45 -1.10 117.51 121.46 1jt6 h ILE 130 Ca 0.01 -0.15 -0.20 0.00 1.00 0.00 0.00 64.86 65.52 1jt6 h ILE 130 Cb 0.58 0.14 0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1jt6 h ILE 130 CO -0.30 0.08 -0.68 -0.26 0.00 0.00 0.00 178.15 176.99 1jt6 h PHE 131 N 0.43 1.04 0.32 1.37 0.04 -0.63 -1.67 116.94 117.84 1jt6 h PHE 131 Ca 0.45 -0.43 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 1jt6 h PHE 131 Cb 0.73 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.70 1jt6 h PHE 131 CO -0.17 1.26 -0.27 -0.22 -0.60 0.00 0.00 178.31 178.31 1jt6 h LYS 132 N 0.52 -0.55 -1.03 1.51 3.64 0.08 -1.87 116.57 118.86 1jt6 h LYS 132 Ca -0.03 0.04 0.26 0.00 -1.27 0.00 0.00 60.65 59.65 1jt6 h LYS 132 Cb 1.31 0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 33.15 1jt6 h LYS 132 CO 0.14 -0.37 0.65 0.93 -2.27 0.00 0.00 179.45 178.53 1jt6 h GLU 133 N -0.57 0.44 -1.01 1.90 4.39 -1.33 0.96 114.58 119.36 1jt6 h GLU 133 Ca -0.04 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.66 1jt6 h GLU 133 Cb 0.48 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.98 1jt6 h GLU 133 CO -0.00 0.29 0.66 0.78 -1.16 0.00 0.00 179.01 179.58 1jt6 h GLY 134 N 0.45 1.45 0.82 -3.84 0.00 -0.54 -2.10 103.07 99.32 1jt6 h GLY 134 Ca 0.61 -0.51 -0.11 0.00 0.00 0.00 0.00 47.33 47.32 1jt6 h GLY 134 CO -0.35 0.47 -0.35 3.43 0.00 0.00 0.00 176.54 179.74 1jt6 h ASN 135 N 1.31 0.55 0.00 0.19 2.35 -0.11 0.59 115.58 120.46 1jt6 h ASN 135 Ca 0.39 -0.58 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1jt6 h ASN 135 Cb -0.06 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.15 1jt6 h ASN 135 CO -0.11 1.03 0.00 0.18 -1.65 0.00 0.00 177.43 176.88 1jt6 n LEU 136 N -4.35 1.74 0.00 1.61 4.77 -0.45 -0.93 117.00 119.39 1jt6 n LEU 136 Ca -0.07 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 1jt6 n LEU 136 Cb 0.50 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1jt6 n LEU 136 CO 0.43 0.30 0.02 0.59 -1.33 0.00 0.00 177.39 177.40 1jt6 n ASN 137 N 0.64 0.00 -3.64 -1.43 4.13 -0.96 -4.95 115.26 109.05 1jt6 n ASN 137 Ca 0.00 -1.00 -0.27 0.00 1.68 0.00 0.00 54.58 54.99 1jt6 n ASN 137 Cb 0.30 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.55 1jt6 n ASN 137 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jt6 n GLY 138 N 0.00 -0.50 0.12 7.41 0.00 -0.10 -4.84 105.19 107.28 1jt6 n GLY 138 Ca 0.00 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.63 0.00 -1.98 1.61 5.08 -0.04 -3.49 114.58 114.13 1jt6 h GLU 139 Ca -0.53 0.00 0.37 0.00 -1.00 0.00 0.00 59.36 58.20 1jt6 h GLU 139 Cb 1.35 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.52 1jt6 h GLU 139 CO 0.62 0.00 0.94 1.67 -1.00 0.00 0.00 179.01 181.25 1jt6 s TRP 140 N -3.24 0.01 -0.21 4.33 -2.14 -1.24 -5.02 118.94 111.44 1jt6 s TRP 140 Ca 0.05 -0.08 -0.02 0.00 2.66 0.00 0.00 56.10 58.71 1jt6 s TRP 140 Cb 0.10 0.54 0.06 0.00 -3.10 0.00 0.00 33.47 31.07 1jt6 s TRP 140 CO 0.72 -0.17 0.01 0.45 -2.66 0.00 0.00 176.95 175.30 1jt6 s SER 141 N -3.78 3.27 -0.17 -2.66 0.15 -1.26 -4.30 113.70 104.95 1jt6 s SER 141 Ca 0.29 -0.98 0.01 0.00 0.70 0.00 0.00 55.95 55.97 1jt6 s SER 141 Cb 0.00 -0.79 0.03 0.00 -1.71 0.00 0.00 66.02 63.55 1jt6 s SER 141 CO -0.02 -0.29 -0.16 -0.63 1.20 0.00 0.00 173.24 173.34 1jt6 s ILE 142 N 1.70 1.81 0.05 6.45 1.01 -1.26 -4.90 121.20 126.06 1jt6 s ILE 142 Ca -0.02 -0.84 -0.35 0.00 0.00 0.00 0.00 60.65 59.44 1jt6 s ILE 142 Cb -0.18 -1.69 -0.20 0.00 0.01 0.00 0.00 42.46 40.40 1jt6 s ILE 142 CO -0.08 0.44 1.50 0.78 0.00 0.00 0.00 174.94 177.58 1jt6 h ASN 143 N 7.99 -1.02 -3.64 3.58 -0.26 -1.99 -3.38 115.58 116.85 1jt6 h ASN 143 Ca -0.40 0.03 -0.73 0.00 -0.56 0.00 0.00 56.30 54.64 1jt6 h ASN 143 Cb 1.13 0.26 -0.30 0.00 -1.06 0.00 0.00 38.32 38.35 1jt6 h ASN 143 CO 0.57 -0.70 -0.28 -0.62 -1.06 0.00 0.00 177.43 175.34 1jt6 s ASP 144 N -4.16 5.80 0.58 5.81 3.68 -1.26 -4.90 116.67 122.22 1jt6 s ASP 144 Ca -0.19 -2.34 0.36 0.00 2.13 0.00 0.00 52.55 52.51 1jt6 s ASP 144 Cb 0.02 -2.01 1.64 0.00 -1.45 0.00 0.00 42.92 41.12 1jt6 s ASP 144 CO 0.57 -0.58 2.09 0.58 0.13 0.00 0.00 175.17 177.96 1jt6 h VAL 145 N 5.60 0.04 0.23 1.11 2.07 -1.99 -2.58 116.25 120.72 1jt6 h VAL 145 Ca -0.09 -0.40 -0.32 0.00 0.82 0.00 0.00 66.70 66.72 1jt6 h VAL 145 Cb 1.03 1.38 0.03 0.00 -1.52 0.00 0.00 31.29 32.21 1jt6 h VAL 145 CO 0.80 0.01 -1.43 0.78 0.02 0.00 0.00 177.57 177.75 1jt6 h ASN 146 N 0.00 0.75 -0.51 0.57 4.21 -1.97 -2.54 115.58 116.09 1jt6 h ASN 146 Ca -0.00 -0.93 -0.04 0.00 1.21 0.00 0.00 56.30 56.55 1jt6 h ASN 146 Cb 0.38 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 37.31 1jt6 h ASN 146 CO 0.00 1.68 0.16 0.00 -1.29 0.00 0.00 177.43 177.99 1jt6 h ALA 147 N 0.13 0.66 -0.38 -0.83 0.00 -1.93 -2.24 119.26 114.66 1jt6 h ALA 147 Ca -0.26 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 1jt6 h ALA 147 Cb 2.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1jt6 h ALA 147 CO 0.24 0.31 -0.27 0.28 0.00 0.00 0.00 179.25 179.81 1jt6 h VAL 148 N 0.69 1.28 -0.65 0.00 2.07 -1.59 -1.23 116.25 116.81 1jt6 h VAL 148 Ca 0.16 -1.43 0.04 0.00 0.82 0.00 0.00 66.70 66.29 1jt6 h VAL 148 Cb 0.26 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1jt6 h VAL 148 CO -0.01 0.48 0.39 0.28 0.02 0.00 0.00 177.57 178.73 1jt6 h SER 149 N 0.67 0.62 -0.24 0.57 0.02 -1.33 -0.45 113.55 113.40 1jt6 h SER 149 Ca 0.07 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.91 1jt6 h SER 149 Cb 0.85 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.26 1jt6 h SER 149 CO 0.07 0.42 -0.33 0.11 -1.14 0.00 0.00 176.83 175.97 1jt6 h LYS 150 N 0.75 0.65 -0.07 3.45 1.57 -1.35 -1.72 116.57 119.85 1jt6 h LYS 150 Ca 0.27 -0.38 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1jt6 h LYS 150 Cb 0.07 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 1jt6 h LYS 150 CO -0.13 0.99 -0.14 0.82 -0.57 0.00 0.00 179.45 180.42 1jt6 h ILE 151 N 0.36 0.64 0.17 1.86 2.04 -0.82 -1.13 117.51 120.63 1jt6 h ILE 151 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1jt6 h ILE 151 Cb 0.91 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1jt6 h ILE 151 CO 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 178.15 178.07 1jt6 h ALA 152 N 0.82 -0.32 -0.70 1.87 0.00 -1.12 0.21 119.26 120.02 1jt6 h ALA 152 Ca 0.07 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.06 1jt6 h ALA 152 Cb 0.30 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 1jt6 h ALA 152 CO -0.19 -0.70 0.24 0.00 0.00 0.00 0.00 179.25 178.60 1jt6 h ALA 153 N 0.45 0.93 0.01 0.00 0.00 -1.15 0.99 119.26 120.48 1jt6 h ALA 153 Ca 0.00 0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 1jt6 h ALA 153 Cb 0.33 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1jt6 h ALA 153 CO -0.03 -0.23 -0.91 -0.91 0.00 0.00 0.00 179.25 177.16 1jt6 h ASN 154 N 0.39 0.04 0.21 0.00 -0.26 -0.76 -1.00 115.58 114.19 1jt6 h ASN 154 Ca 0.37 -0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 56.06 1jt6 h ASN 154 Cb 0.55 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.80 1jt6 h ASN 154 CO -0.39 0.93 -0.10 0.00 -1.06 0.00 0.00 177.43 176.81 1jt6 h ALA 155 N 1.07 -0.28 -0.02 -0.83 0.00 0.01 -0.93 119.26 118.27 1jt6 h ALA 155 Ca -0.02 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1jt6 h ALA 155 Cb 1.60 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1jt6 h ALA 155 CO 0.12 -0.52 -0.06 0.28 0.00 0.00 0.00 179.25 179.07 1jt6 h VAL 156 N -0.56 0.83 -0.87 0.00 2.07 -0.85 -0.80 116.25 116.07 1jt6 h VAL 156 Ca -0.03 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.65 1jt6 h VAL 156 Cb 0.42 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 1jt6 h VAL 156 CO 0.05 0.00 0.57 -1.13 0.02 0.00 0.00 177.57 177.07 1jt6 h ASN 157 N -0.10 0.55 -0.40 0.57 -0.73 -1.16 0.35 115.58 114.65 1jt6 h ASN 157 Ca 0.03 0.04 -0.06 0.00 1.87 0.00 0.00 56.30 58.19 1jt6 h ASN 157 Cb 0.15 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 38.66 1jt6 h ASN 157 CO -0.08 0.26 0.03 1.23 -0.37 0.00 0.00 177.43 178.49 1jt6 h GLY 158 N 0.57 0.75 0.89 1.57 0.00 0.17 -0.84 103.07 106.18 1jt6 h GLY 158 Ca 0.44 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1jt6 h GLY 158 CO -0.19 0.49 0.08 -2.22 0.00 0.00 0.00 176.54 174.70 1jt6 h ILE 159 N 0.53 1.16 0.17 2.60 1.08 0.83 -1.76 117.51 122.11 1jt6 h ILE 159 Ca 0.12 -0.47 -0.00 0.00 -0.39 0.00 0.00 64.86 64.11 1jt6 h ILE 159 Cb 0.43 1.12 -0.01 0.00 -3.07 0.00 0.00 36.82 35.30 1jt6 h ILE 159 CO 0.02 0.15 -0.12 0.58 -0.69 0.00 0.00 178.15 178.08 1jt6 h VAL 160 N 0.15 0.73 0.00 1.67 2.07 -0.66 -3.21 116.25 117.00 1jt6 h VAL 160 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1jt6 h VAL 160 Cb 0.17 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1jt6 h VAL 160 CO -0.01 0.00 -0.19 0.71 0.02 0.00 0.00 177.57 178.10 1jt6 h THR 161 N -0.30 0.00 -0.45 2.57 1.35 -1.18 -3.35 112.91 111.55 1jt6 h THR 161 Ca -0.01 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 1jt6 h THR 161 Cb 0.26 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1jt6 h THR 161 CO -0.00 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.76 1jt6 n PHE 162 N -2.85 0.58 -1.04 4.73 3.01 -0.67 -4.15 117.46 117.08 1jt6 n PHE 162 Ca 0.04 -0.29 0.05 0.00 1.01 0.00 0.00 57.45 58.26 1jt6 n PHE 162 Cb 0.51 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 40.06 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 1.49 1.19 0.30 4.37 -2.24 -1.21 -4.85 114.28 113.33 1jt6 n THR 163 Ca 0.20 -1.39 0.14 0.00 -2.27 0.00 0.00 64.05 60.73 1jt6 n THR 163 Cb 0.60 0.15 0.69 0.00 -2.10 0.00 0.00 70.33 69.67 1jt6 n THR 163 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1jt6 h HIS 164 N 0.00 0.00 -0.20 4.78 6.17 -1.72 -2.97 115.15 121.21 1jt6 h HIS 164 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 60.37 61.04 1jt6 h HIS 164 Cb 0.98 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.91 1jt6 h HIS 164 CO 0.02 0.00 -0.02 1.05 0.71 0.00 0.00 177.93 179.69 1jt6 h GLU 165 N 0.00 0.37 -7.22 5.26 4.11 -1.93 -3.48 114.58 111.69 1jt6 h GLU 165 Ca 0.03 -0.12 -0.46 0.00 0.07 0.00 0.00 59.36 58.87 1jt6 h GLU 165 Cb 0.94 -0.03 0.09 0.00 0.50 0.00 0.00 28.75 30.25 1jt6 h GLU 165 CO -0.00 0.58 0.16 1.14 0.07 0.00 0.00 179.01 180.96 1jt6 s GLN 166 N -4.90 1.64 -0.39 1.06 -2.07 -1.12 -5.00 119.66 108.87 1jt6 s GLN 166 Ca -0.14 -0.88 -0.41 0.00 -1.82 0.00 0.00 55.36 52.11 1jt6 s GLN 166 Cb 0.07 -2.25 -0.16 0.00 -1.09 0.00 0.00 33.01 29.58 1jt6 s GLN 166 CO 0.74 -1.52 1.97 -1.71 -1.32 0.00 0.00 175.29 173.45 1jt6 n ASN 167 N -2.95 1.68 0.18 12.60 4.05 -1.26 -4.83 115.26 124.72 1jt6 n ASN 167 Ca 0.14 0.78 0.18 0.00 0.45 0.00 0.00 54.58 56.12 1jt6 n ASN 167 Cb 0.60 -1.07 0.69 0.00 1.23 0.00 0.00 39.78 41.23 1jt6 n ASN 167 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 177.26 173.92 1jt6 h ILE 168 N 6.26 0.17 0.05 -1.44 6.09 -1.94 0.11 117.51 126.81 1jt6 h ILE 168 Ca -0.30 0.00 -0.24 0.00 -1.37 0.00 0.00 64.86 62.96 1jt6 h ILE 168 Cb 1.36 0.55 -0.00 0.00 0.47 0.00 0.00 36.82 39.19 1jt6 h ILE 168 CO 1.02 0.00 -1.04 0.78 -3.07 0.00 0.00 178.15 175.84 1jt6 h ASN 169 N 0.00 0.42 0.53 2.19 2.35 -2.00 -1.94 115.58 117.14 1jt6 h ASN 169 Ca 0.13 -0.38 -0.16 0.00 -0.55 0.00 0.00 56.30 55.34 1jt6 h ASN 169 Cb 1.16 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.38 1jt6 h ASN 169 CO -0.00 1.22 -0.73 -0.08 -1.65 0.00 0.00 177.43 176.19 1jt6 h GLU 170 N 0.14 0.16 0.03 0.81 4.22 -1.20 -1.68 114.58 117.05 1jt6 h GLU 170 Ca -0.09 -0.14 -0.00 0.00 0.08 0.00 0.00 59.36 59.21 1jt6 h GLU 170 Cb 1.71 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.99 1jt6 h GLU 170 CO 0.17 0.81 -0.02 0.00 -2.18 0.00 0.00 179.01 177.79 1jt6 h ARG 171 N 0.10 -0.05 -0.23 1.92 3.08 -1.15 0.08 114.38 118.14 1jt6 h ARG 171 Ca -0.02 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1jt6 h ARG 171 Cb 1.28 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 1jt6 h ARG 171 CO 0.11 -0.03 -0.02 0.82 -1.07 0.00 0.00 179.97 179.77 1jt6 h ILE 172 N -0.05 1.16 0.28 2.04 2.04 -1.30 0.12 117.51 121.80 1jt6 h ILE 172 Ca -0.00 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 1jt6 h ILE 172 Cb 0.04 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1jt6 h ILE 172 CO -0.00 0.21 -0.14 0.50 0.00 0.00 0.00 178.15 178.72 1jt6 h LYS 173 N 0.33 -0.37 -0.83 2.37 3.64 -0.49 -1.51 116.57 119.72 1jt6 h LYS 173 Ca 0.08 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1jt6 h LYS 173 Cb 0.27 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 1jt6 h LYS 173 CO 0.01 -0.11 0.53 -0.07 -2.27 0.00 0.00 179.45 177.53 1jt6 h LEU 174 N -0.59 0.97 -1.22 5.20 3.38 -0.75 -1.56 115.31 120.74 1jt6 h LEU 174 Ca -0.04 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1jt6 h LEU 174 Cb 0.43 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1jt6 h LEU 174 CO 0.06 0.73 0.51 -0.03 0.09 0.00 0.00 178.44 179.80 1jt6 h MET 175 N 1.13 1.04 -0.00 1.13 4.05 -0.66 0.15 114.93 121.77 1jt6 h MET 175 Ca 0.30 -0.07 -0.18 0.00 -0.28 0.00 0.00 59.70 59.48 1jt6 h MET 175 Cb -0.09 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 30.46 1jt6 h MET 175 CO -0.06 0.69 -0.82 -0.91 0.23 0.00 0.00 176.91 176.04 1jt6 h ASN 176 N 1.06 0.10 -0.25 1.39 -0.26 -0.71 -0.37 115.58 116.54 1jt6 h ASN 176 Ca 0.29 -0.08 -0.11 0.00 -0.56 0.00 0.00 56.30 55.83 1jt6 h ASN 176 Cb -0.12 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.10 1jt6 h ASN 176 CO -0.06 0.87 -0.23 0.50 -1.06 0.00 0.00 177.43 177.46 1jt6 h LYS 177 N 0.05 0.73 -0.05 0.81 3.11 -0.57 -0.79 116.57 119.86 1jt6 h LYS 177 Ca -0.02 -0.29 -0.01 0.00 -2.81 0.00 0.00 60.65 57.52 1jt6 h LYS 177 Cb 1.43 -0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 32.62 1jt6 h LYS 177 CO 0.11 0.89 0.01 0.35 -2.81 0.00 0.00 179.45 178.00 1jt6 h PHE 178 N 0.64 0.08 -0.15 1.91 3.57 -0.84 -0.78 116.94 121.35 1jt6 h PHE 178 Ca 0.09 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.60 1jt6 h PHE 178 Cb 0.72 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1jt6 h PHE 178 CO 0.04 0.30 0.10 0.77 -2.23 0.00 0.00 178.31 177.29 1jt6 h SER 179 N -0.16 0.10 0.07 0.41 0.02 -0.86 -0.93 113.55 112.19 1jt6 h SER 179 Ca 0.01 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1jt6 h SER 179 Cb 0.26 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1jt6 h SER 179 CO 0.00 0.07 -0.03 -0.61 -1.14 0.00 0.00 176.83 175.12 1jt6 h GLN 180 N 0.12 -0.09 -0.38 3.45 4.15 -0.66 -2.42 115.11 119.29 1jt6 h GLN 180 Ca 0.06 0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.56 1jt6 h GLN 180 Cb 0.11 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.76 1jt6 h GLN 180 CO -0.01 0.41 -0.04 0.82 -1.93 0.00 0.00 178.83 178.07 1jt6 h ILE 181 N -0.63 0.67 0.10 2.39 2.04 -0.69 -0.72 117.51 120.66 1jt6 h ILE 181 Ca -0.01 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.85 1jt6 h ILE 181 Cb 0.53 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1jt6 h ILE 181 CO 0.01 0.01 -0.17 0.15 0.00 0.00 0.00 178.15 178.16 1jt6 h PHE 182 N 0.05 -0.44 -0.82 1.37 3.57 -1.23 0.75 116.94 120.20 1jt6 h PHE 182 Ca 0.18 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1jt6 h PHE 182 Cb 0.27 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 1jt6 h PHE 182 CO -0.30 -0.25 0.46 -0.07 -2.23 0.00 0.00 178.31 175.93 1jt6 h LEU 183 N -0.33 1.00 -1.39 0.59 3.38 -1.00 -1.24 115.31 116.32 1jt6 h LEU 183 Ca 0.02 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1jt6 h LEU 183 Cb 0.35 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1jt6 h LEU 183 CO -0.09 0.79 0.03 0.78 0.09 0.00 0.00 178.44 180.04 1jt6 h ASN 184 N 1.14 0.40 0.50 -0.43 2.35 -0.50 -1.66 115.58 117.38 1jt6 h ASN 184 Ca 0.29 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1jt6 h ASN 184 Cb 0.00 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1jt6 h ASN 184 CO -0.05 0.44 0.00 0.61 -1.65 0.00 0.00 177.43 176.78 1jt6 n GLY 185 N -1.05 -1.03 0.00 2.83 0.00 0.20 -3.66 105.19 102.48 1jt6 n GLY 185 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1jt6 n GLY 185 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jt6 n LEU 186 N -1.73 0.00 0.00 0.99 4.77 -0.62 -5.09 117.00 115.32 1jt6 n LEU 186 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1jt6 n LEU 186 Cb 0.17 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1jt6 n LEU 186 CO 0.14 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.00