#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqv s LYS 1 N 0.00 4.09 0.70 3.17 2.20 -1.26 -4.78 119.74 123.86 1gqv s LYS 1 Ca 0.00 -0.26 -0.15 0.00 -0.36 0.00 0.00 55.97 55.20 1gqv s LYS 1 Cb 0.00 -3.50 0.02 0.00 -1.51 0.00 0.00 37.83 32.84 1gqv s LYS 1 CO 0.00 0.12 1.14 -2.14 -0.36 0.00 0.00 175.35 174.11 1gqv s PRO 2 N 0.89 2.47 0.49 4.03 0.02 -1.26 -4.93 135.00 136.71 1gqv s PRO 2 Ca 0.07 1.52 0.28 0.00 0.02 0.00 0.00 61.00 62.90 1gqv s PRO 2 Cb -0.13 -1.90 1.04 0.00 0.02 0.00 0.00 34.50 33.53 1gqv s PRO 2 CO 0.03 -1.53 1.87 -1.00 -0.33 0.00 0.00 177.00 176.04 1gqv h PRO 3 N -0.20 0.00 0.00 5.54 0.13 -1.99 -2.98 132.00 132.50 1gqv h PRO 3 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1gqv h PRO 3 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1gqv h PRO 3 CO 0.52 0.09 0.00 0.00 -0.23 0.00 0.00 178.00 178.38 1gqv n GLN 4 N -3.20 0.16 -4.32 0.86 0.00 -1.26 -4.81 117.38 104.82 1gqv n GLN 4 Ca 0.01 0.09 -0.35 0.00 0.00 0.00 0.00 57.00 56.75 1gqv n GLN 4 Cb 0.39 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 29.04 1gqv n GLN 4 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1gqv s PHE 5 N -2.79 3.20 0.87 2.61 2.99 -1.13 -5.10 117.98 118.63 1gqv s PHE 5 Ca 0.17 0.22 -0.12 0.00 0.00 0.00 0.00 56.93 57.19 1gqv s PHE 5 Cb 0.15 -1.79 0.11 0.00 0.00 0.00 0.00 43.02 41.49 1gqv s PHE 5 CO 0.39 0.50 1.12 0.95 -0.00 0.00 0.00 175.22 178.18 1gqv s THR 6 N -0.92 2.40 0.24 0.64 -4.23 -1.26 -4.86 115.64 107.64 1gqv s THR 6 Ca 0.14 0.13 -0.06 0.00 -1.18 0.00 0.00 61.69 60.72 1gqv s THR 6 Cb -0.11 -2.88 0.21 0.00 1.34 0.00 0.00 72.50 71.06 1gqv s THR 6 CO 0.03 -0.17 1.86 -0.50 -0.54 0.00 0.00 174.62 175.30 1gqv h TRP 7 N -1.34 0.99 -0.44 3.99 4.06 -1.94 -0.70 115.95 120.56 1gqv h TRP 7 Ca -0.49 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.48 1gqv h TRP 7 Cb 1.31 -0.32 -0.02 0.00 -1.00 0.00 0.00 29.16 29.13 1gqv h TRP 7 CO 0.36 0.52 0.25 0.00 -3.56 0.00 0.00 178.44 176.00 1gqv h ALA 8 N 1.39 0.57 -0.74 1.49 0.00 -1.88 0.27 119.26 120.35 1gqv h ALA 8 Ca 0.36 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1gqv h ALA 8 Cb 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1gqv h ALA 8 CO -0.16 0.09 0.33 1.96 0.00 0.00 0.00 179.25 181.47 1gqv h GLN 9 N 0.58 1.09 -0.43 0.00 4.20 -1.81 -1.32 115.11 117.42 1gqv h GLN 9 Ca 0.16 -0.18 -0.15 0.00 0.06 0.00 0.00 58.65 58.54 1gqv h GLN 9 Cb 0.05 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1gqv h GLN 9 CO -0.03 0.87 -0.31 2.35 -0.67 0.00 0.00 178.83 181.05 1gqv h TRP 10 N 1.06 1.14 -0.28 2.96 -0.00 -0.87 -1.63 115.95 118.33 1gqv h TRP 10 Ca 0.25 -0.31 0.05 0.00 -0.00 0.00 0.00 58.89 58.87 1gqv h TRP 10 Cb 0.16 -0.25 -0.04 0.00 -0.00 0.00 0.00 29.16 29.03 1gqv h TRP 10 CO 0.01 1.15 0.01 0.35 -0.00 0.00 0.00 178.44 179.96 1gqv h PHE 11 N 0.81 0.01 -0.62 2.65 3.57 -0.72 -0.38 116.94 122.27 1gqv h PHE 11 Ca 0.08 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.62 1gqv h PHE 11 Cb 0.90 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 1gqv h PHE 11 CO 0.06 -0.03 0.40 1.49 -2.23 0.00 0.00 178.31 178.00 1gqv h GLU 12 N 0.10 0.78 -0.63 1.11 4.81 -1.12 -0.35 114.58 119.28 1gqv h GLU 12 Ca 0.13 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1gqv h GLU 12 Cb 0.17 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1gqv h GLU 12 CO -0.21 0.52 0.22 1.15 -0.73 0.00 0.00 179.01 179.95 1gqv h THR 13 N 0.80 1.24 0.12 0.32 2.02 -0.96 -0.30 112.91 116.16 1gqv h THR 13 Ca 0.23 -0.81 -0.27 0.00 0.77 0.00 0.00 66.41 66.34 1gqv h THR 13 Cb -0.06 0.58 0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1gqv h THR 13 CO -0.07 0.31 -1.22 1.56 0.37 0.00 0.00 175.52 176.47 1gqv h GLN 14 N 0.90 0.30 0.00 6.66 4.20 -0.89 -3.41 115.11 122.86 1gqv h GLN 14 Ca 0.21 -0.48 0.00 0.00 0.06 0.00 0.00 58.65 58.43 1gqv h GLN 14 Cb 0.26 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1gqv h GLN 14 CO -0.01 1.22 -0.01 0.72 -0.67 0.00 0.00 178.83 180.08 1gqv n HIS 15 N -3.56 0.00 -0.01 2.96 8.25 -0.16 -4.59 115.22 118.11 1gqv n HIS 15 Ca -0.09 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.36 1gqv n HIS 15 Cb 1.01 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 32.12 1gqv n HIS 15 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1gqv n ILE 16 N -0.83 0.06 -2.38 1.59 2.08 -0.80 -0.74 119.36 118.34 1gqv n ILE 16 Ca 0.00 -0.02 -0.43 0.00 0.56 0.00 0.00 62.75 62.87 1gqv n ILE 16 Cb 0.00 -1.47 0.00 0.00 -0.75 0.00 0.00 39.64 37.42 1gqv n ILE 16 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1gqv n ASN 17 N -3.03 4.80 -4.55 4.38 3.02 -0.19 -4.86 115.26 114.83 1gqv n ASN 17 Ca -0.02 -2.98 -0.41 0.00 -0.03 0.00 0.00 54.58 51.14 1gqv n ASN 17 Cb 0.52 -1.59 -0.03 0.00 -0.61 0.00 0.00 39.78 38.07 1gqv n ASN 17 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1gqv s MET 18 N 1.99 3.08 0.04 3.52 1.75 -1.26 -4.88 119.30 123.55 1gqv s MET 18 Ca 0.45 -0.00 0.20 0.00 -1.25 0.00 0.00 55.69 55.09 1gqv s MET 18 Cb 0.07 -4.22 0.85 0.00 2.84 0.00 0.00 34.83 34.37 1gqv s MET 18 CO -0.01 -2.25 1.65 0.25 -0.65 0.00 0.00 175.02 174.01 1gqv n THR 19 N 6.60 0.67 -3.91 10.11 -2.24 -1.26 -4.61 114.28 119.64 1gqv n THR 19 Ca 0.07 0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.90 1gqv n THR 19 Cb 0.50 -0.85 -0.10 0.00 -2.10 0.00 0.00 70.33 67.78 1gqv n THR 19 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1gqv s SER 20 N -3.24 0.10 0.00 3.42 0.15 -1.26 -4.96 113.70 107.91 1gqv s SER 20 Ca 0.09 -0.34 0.19 0.00 0.70 0.00 0.00 55.95 56.59 1gqv s SER 20 Cb 0.12 0.18 0.85 0.00 -1.71 0.00 0.00 66.02 65.47 1gqv s SER 20 CO 0.38 -0.38 1.59 0.00 1.20 0.00 0.00 173.24 176.03 1gqv n GLN 21 N 1.36 0.10 -3.41 5.44 6.02 -1.26 -4.52 117.38 121.11 1gqv n GLN 21 Ca -0.22 0.15 -0.39 0.00 -0.01 0.00 0.00 57.00 56.54 1gqv n GLN 21 Cb 0.56 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.23 1gqv n GLN 21 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1gqv s GLN 22 N -2.85 4.08 0.21 -1.09 -1.52 -1.26 -5.02 119.66 112.21 1gqv s GLN 22 Ca 0.12 0.07 -0.10 0.00 -1.95 0.00 0.00 55.36 53.51 1gqv s GLN 22 Cb 0.12 -3.60 0.19 0.00 -0.22 0.00 0.00 33.01 29.50 1gqv s GLN 22 CO 0.32 -0.17 1.86 0.00 -0.25 0.00 0.00 175.29 177.05 1gqv h THR 24 N 0.92 1.02 -0.08 0.00 2.02 -1.91 -0.12 112.91 114.76 1gqv h THR 24 Ca 0.29 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.18 1gqv h THR 24 Cb -0.01 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 66.59 1gqv h THR 24 CO -0.10 0.14 -0.07 -1.13 0.37 0.00 0.00 175.52 174.73 1gqv h ASN 25 N 0.77 0.20 -0.99 4.18 -0.73 -1.87 -3.18 115.58 113.95 1gqv h ASN 25 Ca 0.29 -0.47 0.01 0.00 1.87 0.00 0.00 56.30 58.00 1gqv h ASN 25 Cb 0.12 -0.05 -0.05 0.00 0.27 0.00 0.00 38.32 38.60 1gqv h ASN 25 CO -0.15 0.62 0.64 0.00 -0.37 0.00 0.00 177.43 178.17 1gqv h ALA 26 N 0.58 1.26 0.00 1.57 0.00 -1.00 -2.55 119.26 119.12 1gqv h ALA 26 Ca 0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1gqv h ALA 26 Cb 0.56 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1gqv h ALA 26 CO 0.02 0.67 -0.17 0.52 0.00 0.00 0.00 179.25 180.28 1gqv h MET 27 N 1.35 0.00 -0.93 0.00 2.86 -1.08 -2.95 114.93 114.19 1gqv h MET 27 Ca 0.36 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 58.17 1gqv h MET 27 Cb -0.13 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.45 1gqv h MET 27 CO -0.07 0.17 0.60 1.96 1.06 0.00 0.00 176.91 180.62 1gqv h GLN 28 N 0.00 0.61 0.54 1.72 1.08 -1.43 -1.06 115.11 116.56 1gqv h GLN 28 Ca -0.00 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 1gqv h GLN 28 Cb 0.47 -0.14 0.01 0.00 -0.05 0.00 0.00 27.48 27.77 1gqv h GLN 28 CO 0.02 0.40 -0.26 0.28 -0.95 0.00 0.00 178.83 178.33 1gqv h VAL 29 N 0.63 0.46 -0.52 -0.54 2.07 -1.68 -0.01 116.25 116.66 1gqv h VAL 29 Ca 0.49 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.90 1gqv h VAL 29 Cb 0.91 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1gqv h VAL 29 CO -0.24 0.02 0.32 0.40 0.02 0.00 0.00 177.57 178.09 1gqv h ILE 30 N -0.80 1.08 -0.32 4.57 5.03 -1.63 -2.18 117.51 123.25 1gqv h ILE 30 Ca -0.07 -0.22 -0.18 0.00 -0.12 0.00 0.00 64.86 64.27 1gqv h ILE 30 Cb 0.59 0.38 -0.00 0.00 -3.03 0.00 0.00 36.82 34.75 1gqv h ILE 30 CO 0.12 0.12 -0.48 0.78 -0.68 0.00 0.00 178.15 178.00 1gqv h ASN 31 N 0.64 0.98 -0.50 1.72 2.35 -1.17 -1.03 115.58 118.57 1gqv h ASN 31 Ca 0.20 -0.51 -0.05 0.00 -0.55 0.00 0.00 56.30 55.40 1gqv h ASN 31 Cb -0.01 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.06 1gqv h ASN 31 CO -0.08 1.30 0.16 -1.13 -1.65 0.00 0.00 177.43 176.03 1gqv h ASN 32 N 0.69 0.77 -0.22 5.81 -0.00 -0.94 0.04 115.58 121.74 1gqv h ASN 32 Ca 0.03 -0.13 -0.10 0.00 -0.00 0.00 0.00 56.30 56.10 1gqv h ASN 32 Cb 1.09 -0.20 -0.00 0.00 -0.00 0.00 0.00 38.32 39.21 1gqv h ASN 32 CO 0.11 0.74 -0.26 1.88 -0.00 0.00 0.00 177.43 179.90 1gqv h TYR 33 N 0.81 0.69 -0.02 0.67 0.05 -1.14 -3.33 116.97 114.69 1gqv h TYR 33 Ca 0.18 -0.22 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1gqv h TYR 33 Cb 0.26 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 37.86 1gqv h TYR 33 CO 0.02 0.93 -0.13 0.00 -1.05 0.00 0.00 178.16 177.92 1gqv n GLN 34 N -4.36 1.63 -2.77 4.88 10.64 -0.41 -4.70 117.38 122.29 1gqv n GLN 34 Ca -0.05 -1.17 -0.14 0.00 -1.83 0.00 0.00 57.00 53.81 1gqv n GLN 34 Cb 0.45 -1.48 0.02 0.00 -0.86 0.00 0.00 30.24 28.38 1gqv n GLN 34 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1gqv n ARG 35 N 0.33 -3.25 -3.57 2.61 5.12 -0.01 -4.95 116.66 112.94 1gqv n ARG 35 Ca 0.15 0.58 -0.12 0.00 -1.93 0.00 0.00 57.85 56.53 1gqv n ARG 35 Cb 0.45 -4.76 -0.05 0.00 -1.16 0.00 0.00 32.46 26.93 1gqv n ARG 35 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1gqv s ARG 36 N -5.30 0.66 -0.38 5.56 3.52 -1.14 -5.07 118.95 116.79 1gqv s ARG 36 Ca 0.20 0.21 -0.28 0.00 -0.13 0.00 0.00 55.73 55.73 1gqv s ARG 36 Cb -0.09 0.31 0.02 0.00 -1.56 0.00 0.00 34.95 33.63 1gqv s ARG 36 CO 0.25 -0.20 1.06 0.00 -0.81 0.00 0.00 175.30 175.60 1gqv s LYS 38 N 3.87 4.27 0.22 0.00 2.20 -1.26 -4.92 119.74 124.11 1gqv s LYS 38 Ca 0.44 2.27 -0.03 0.00 -0.36 0.00 0.00 55.97 58.29 1gqv s LYS 38 Cb -0.10 -3.15 0.21 0.00 -1.51 0.00 0.00 37.83 33.28 1gqv s LYS 38 CO 0.21 -0.46 1.62 -0.97 -0.36 0.00 0.00 175.35 175.40 1gqv h ASN 39 N 5.75 0.71 -4.99 1.43 -0.73 -1.95 -3.42 115.58 112.39 1gqv h ASN 39 Ca -0.44 -0.27 -0.13 0.00 1.87 0.00 0.00 56.30 57.32 1gqv h ASN 39 Cb 1.21 -0.20 -0.20 0.00 0.27 0.00 0.00 38.32 39.40 1gqv h ASN 39 CO 0.82 0.96 -0.36 -1.10 -0.37 0.00 0.00 177.43 177.39 1gqv s GLN 40 N -4.48 0.60 -0.28 6.67 -0.21 -1.26 -1.31 119.66 119.40 1gqv s GLN 40 Ca -0.09 -0.28 -0.21 0.00 0.02 0.00 0.00 55.36 54.80 1gqv s GLN 40 Cb 0.13 0.26 0.08 0.00 1.00 0.00 0.00 33.01 34.48 1gqv s GLN 40 CO 0.83 -0.16 0.75 1.21 -2.12 0.00 0.00 175.29 175.80 1gqv s ASN 41 N -1.37 -0.79 -0.17 5.90 2.47 -0.57 -5.01 114.94 115.40 1gqv s ASN 41 Ca -0.14 1.39 -0.06 0.00 0.42 0.00 0.00 52.86 54.47 1gqv s ASN 41 Cb -0.06 1.38 -0.04 0.00 -1.45 0.00 0.00 41.25 41.08 1gqv s ASN 41 CO 0.03 -0.23 0.03 -0.89 -3.72 0.00 0.00 177.10 172.32 1gqv s THR 42 N 0.88 4.53 -0.25 -5.21 2.01 -1.26 -0.68 115.64 115.65 1gqv s THR 42 Ca -0.04 -0.13 -0.09 0.00 0.31 0.00 0.00 61.69 61.74 1gqv s THR 42 Cb -0.05 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 1gqv s THR 42 CO -0.08 0.48 0.13 -0.36 -0.69 0.00 0.00 174.62 174.10 1gqv s PHE 43 N 0.29 3.20 -0.09 4.92 0.08 -0.21 -4.43 117.98 121.74 1gqv s PHE 43 Ca 0.02 -0.02 -0.24 0.00 0.12 0.00 0.00 56.93 56.81 1gqv s PHE 43 Cb -0.13 -2.28 -0.03 0.00 -0.57 0.00 0.00 43.02 40.01 1gqv s PHE 43 CO 0.01 -0.13 0.72 -0.51 -0.10 0.00 0.00 175.22 175.21 1gqv s LEU 44 N 1.41 4.28 -1.30 -0.37 1.43 0.08 -1.15 118.68 123.05 1gqv s LEU 44 Ca 0.06 1.17 -0.10 0.00 -1.03 0.00 0.00 54.13 54.23 1gqv s LEU 44 Cb -0.15 -3.10 0.15 0.00 0.03 0.00 0.00 46.19 43.12 1gqv s LEU 44 CO 0.06 -0.18 1.93 0.18 0.23 0.00 0.00 176.35 178.58 1gqv n LEU 45 N 4.12 6.72 -4.13 1.79 4.77 -0.01 -4.62 117.00 125.65 1gqv n LEU 45 Ca -0.00 -4.60 -0.14 0.00 -0.03 0.00 0.00 56.01 51.24 1gqv n LEU 45 Cb 0.51 -1.49 -0.06 0.00 -2.33 0.00 0.00 43.42 40.04 1gqv n LEU 45 CO 0.47 1.37 0.02 0.28 -1.33 0.00 0.00 177.39 178.20 1gqv s THR 46 N 0.65 0.00 0.17 -5.08 -1.32 -1.26 -4.52 115.64 104.28 1gqv s THR 46 Ca 0.41 -1.72 -0.02 0.00 -1.21 0.00 0.00 61.69 59.15 1gqv s THR 46 Cb 0.10 -2.50 -0.05 0.00 -1.51 0.00 0.00 72.50 68.55 1gqv s THR 46 CO -0.01 0.00 0.36 0.42 -2.21 0.00 0.00 174.62 173.19 1gqv s THR 47 N -3.58 5.22 0.23 5.08 -4.23 -1.26 -4.97 115.64 112.14 1gqv s THR 47 Ca 0.33 -0.28 -0.06 0.00 -1.18 0.00 0.00 61.69 60.49 1gqv s THR 47 Cb 0.02 -3.70 0.19 0.00 1.34 0.00 0.00 72.50 70.35 1gqv s THR 47 CO 0.17 -0.09 1.77 0.15 -0.54 0.00 0.00 174.62 176.08 1gqv h PHE 48 N 2.32 0.61 -0.93 3.99 3.57 -1.98 -1.90 116.94 122.63 1gqv h PHE 48 Ca -0.47 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.10 1gqv h PHE 48 Cb 1.18 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.70 1gqv h PHE 48 CO 0.57 0.19 0.60 0.00 -2.23 0.00 0.00 178.31 177.45 1gqv h ALA 49 N 1.46 1.24 -0.86 2.41 0.00 -1.99 -0.57 119.26 120.95 1gqv h ALA 49 Ca 0.37 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1gqv h ALA 49 Cb 0.44 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1gqv h ALA 49 CO -0.30 0.46 0.50 -0.91 0.00 0.00 0.00 179.25 179.00 1gqv h ASN 50 N 1.16 1.04 -0.42 0.00 2.35 -1.76 -1.44 115.58 116.51 1gqv h ASN 50 Ca 0.37 -0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.96 1gqv h ASN 50 Cb 0.02 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 1gqv h ASN 50 CO -0.13 0.82 -0.07 0.58 -1.65 0.00 0.00 177.43 176.98 1gqv h VAL 51 N 1.18 1.27 -0.80 2.81 2.07 -0.85 -1.85 116.25 120.08 1gqv h VAL 51 Ca 0.30 -1.14 0.12 0.00 0.82 0.00 0.00 66.70 66.80 1gqv h VAL 51 Cb -0.02 1.16 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 1gqv h VAL 51 CO -0.05 0.39 0.42 0.58 0.02 0.00 0.00 177.57 178.92 1gqv h VAL 52 N 0.61 0.81 -0.56 2.57 2.07 -0.94 -1.02 116.25 119.79 1gqv h VAL 52 Ca 0.11 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1gqv h VAL 52 Cb 0.58 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1gqv h VAL 52 CO 0.03 0.12 0.22 -1.13 0.02 0.00 0.00 177.57 176.83 1gqv h ASN 53 N 0.66 0.73 -0.71 0.57 -1.24 -0.94 -1.75 115.58 112.90 1gqv h ASN 53 Ca 0.41 -0.09 0.05 0.00 0.71 0.00 0.00 56.30 57.37 1gqv h ASN 53 Cb 0.48 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 39.30 1gqv h ASN 53 CO -0.30 0.67 0.47 0.58 -1.29 0.00 0.00 177.43 177.55 1gqv h VAL 54 N 0.80 1.06 -0.04 2.57 2.07 -0.37 -0.78 116.25 121.56 1gqv h VAL 54 Ca 0.19 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1gqv h VAL 54 Cb 0.17 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1gqv h VAL 54 CO -0.02 0.15 0.11 0.00 0.02 0.00 0.00 177.57 177.83 1gqv n GLY 56 N -1.21 -1.20 3.83 0.00 0.00 -0.30 -4.91 105.19 101.40 1gqv n GLY 56 Ca -0.02 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 1gqv n GLY 56 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1gqv s ASN 57 N -2.58 4.62 0.49 1.61 0.01 -0.26 -4.97 114.94 113.86 1gqv s ASN 57 Ca 0.27 1.21 -0.22 0.00 -0.71 0.00 0.00 52.86 53.41 1gqv s ASN 57 Cb 0.20 -1.93 -0.08 0.00 0.41 0.00 0.00 41.25 39.85 1gqv s ASN 57 CO 0.48 -1.88 1.02 -2.65 -1.51 0.00 0.00 177.10 172.56 1gqv n PRO 58 N -3.36 1.26 -2.27 -0.60 -0.02 -1.26 -4.92 135.00 123.82 1gqv n PRO 58 Ca 0.07 0.46 -0.37 0.00 -2.02 0.00 0.00 63.50 61.64 1gqv n PRO 58 Cb 0.57 -2.13 -0.01 0.00 -0.02 0.00 0.00 33.50 31.91 1gqv n PRO 58 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1gqv s ASN 59 N -0.90 6.19 0.11 2.55 -0.87 -1.26 -4.44 114.94 116.32 1gqv s ASN 59 Ca 0.67 2.29 -0.05 0.00 -1.57 0.00 0.00 52.86 54.20 1gqv s ASN 59 Cb -0.49 -2.60 -0.02 0.00 -0.02 0.00 0.00 41.25 38.11 1gqv s ASN 59 CO 0.53 -0.90 0.14 0.00 -2.57 0.00 0.00 177.10 174.31 1gqv s MET 60 N -2.70 0.90 0.29 -0.60 0.23 -0.01 -4.99 119.30 112.42 1gqv s MET 60 Ca 0.63 -1.18 -0.29 0.00 -1.03 0.00 0.00 55.69 53.82 1gqv s MET 60 Cb -0.28 0.30 -0.10 0.00 -1.53 0.00 0.00 34.83 33.22 1gqv s MET 60 CO 0.34 -0.28 1.35 0.99 -2.03 0.00 0.00 175.02 175.39 1gqv s THR 61 N -3.94 2.76 -0.06 3.16 2.01 -1.26 -2.89 115.64 115.41 1gqv s THR 61 Ca 0.13 0.70 -0.30 0.00 0.31 0.00 0.00 61.69 62.54 1gqv s THR 61 Cb 0.06 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 1gqv s THR 61 CO -0.05 0.14 1.36 0.00 -0.69 0.00 0.00 174.62 175.39 1gqv h PRO 63 N 8.09 0.65 0.00 0.00 0.11 -1.92 -1.71 132.00 137.23 1gqv h PRO 63 Ca -0.34 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1gqv h PRO 63 Cb 1.16 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1gqv h PRO 63 CO 0.92 0.43 0.00 0.43 -0.21 0.00 0.00 178.00 179.57 1gqv n SER 64 N -4.67 0.26 -3.28 -2.05 7.64 -1.26 -4.69 113.62 105.57 1gqv n SER 64 Ca 0.22 0.54 -0.07 0.00 1.01 0.00 0.00 58.87 60.57 1gqv n SER 64 Cb 0.60 -0.60 -0.05 0.00 -1.01 0.00 0.00 64.21 63.14 1gqv n SER 64 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1gqv s ASN 65 N -3.50 0.05 0.62 6.43 3.04 -0.64 -5.05 114.94 115.89 1gqv s ASN 65 Ca 0.10 -0.19 0.28 0.00 0.04 0.00 0.00 52.86 53.09 1gqv s ASN 65 Cb 0.14 1.26 1.42 0.00 -1.54 0.00 0.00 41.25 42.54 1gqv s ASN 65 CO 0.47 -0.34 1.82 0.07 -3.04 0.00 0.00 177.10 176.09 1gqv h LYS 66 N 8.14 0.00 0.00 0.43 5.09 -1.84 -1.60 116.57 126.79 1gqv h LYS 66 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.65 1gqv h LYS 66 Cb 1.13 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.46 1gqv h LYS 66 CO 0.25 0.00 -0.34 0.25 -2.09 0.00 0.00 179.45 177.52 1gqv n THR 67 N -3.36 0.18 -4.50 0.07 -2.24 -1.26 -4.96 114.28 98.21 1gqv n THR 67 Ca 0.05 -0.12 -0.34 0.00 -2.27 0.00 0.00 64.05 61.38 1gqv n THR 67 Cb 0.64 -0.16 -0.11 0.00 -2.10 0.00 0.00 70.33 68.61 1gqv n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1gqv s ARG 68 N -3.06 2.96 -0.10 -0.78 1.81 -0.60 -5.02 118.95 114.16 1gqv s ARG 68 Ca 0.10 -0.49 0.14 0.00 -1.72 0.00 0.00 55.73 53.76 1gqv s ARG 68 Cb 0.16 -2.71 0.21 0.00 -0.45 0.00 0.00 34.95 32.16 1gqv s ARG 68 CO 0.65 0.63 1.11 1.17 -0.68 0.00 0.00 175.30 178.17 1gqv n LYS 69 N 2.35 1.64 -0.82 3.54 3.00 -1.26 -1.61 118.16 125.00 1gqv n LYS 69 Ca -0.18 -2.27 0.05 0.00 -0.00 0.00 0.00 58.31 55.91 1gqv n LYS 69 Cb 0.53 -1.35 0.35 0.00 0.00 0.00 0.00 35.03 34.56 1gqv n LYS 69 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1gqv n ASN 70 N -1.17 5.17 -4.94 3.14 6.94 -1.26 -4.26 115.26 118.87 1gqv n ASN 70 Ca 0.12 -2.86 -0.25 0.00 -0.02 0.00 0.00 54.58 51.56 1gqv n ASN 70 Cb 0.55 -0.68 -0.03 0.00 -2.36 0.00 0.00 39.78 37.27 1gqv n ASN 70 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1gqv s HIS 72 N -1.91 -0.31 0.12 0.00 3.76 -0.23 -0.83 115.29 115.90 1gqv s HIS 72 Ca 0.37 0.74 -0.19 0.00 -0.15 0.00 0.00 55.06 55.82 1gqv s HIS 72 Cb -0.10 0.06 -0.07 0.00 1.11 0.00 0.00 32.58 33.57 1gqv s HIS 72 CO 0.30 -0.20 0.61 -1.58 -0.85 0.00 0.00 174.74 173.02 1gqv s HIS 73 N 0.95 3.76 0.51 1.40 2.46 -1.26 -1.84 115.29 121.25 1gqv s HIS 73 Ca -0.07 1.29 0.22 0.00 0.47 0.00 0.00 55.06 56.98 1gqv s HIS 73 Cb -0.08 -2.52 1.42 0.00 -0.13 0.00 0.00 32.58 31.27 1gqv s HIS 73 CO -0.06 0.51 2.13 0.66 -2.47 0.00 0.00 174.74 175.51 1gqv h SER 74 N 4.15 0.00 0.00 9.88 4.64 -1.38 -3.47 113.55 127.37 1gqv h SER 74 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1gqv h SER 74 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1gqv h SER 74 CO 0.64 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 177.28 1gqv n GLY 75 N -1.18 2.09 3.59 -0.77 0.00 -1.26 -4.88 105.19 102.79 1gqv n GLY 75 Ca -0.03 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 1gqv n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gqv s SER 76 N 0.00 4.26 0.56 1.61 1.04 -1.26 -5.11 113.70 114.80 1gqv s SER 76 Ca 0.00 -0.74 -0.16 0.00 0.48 0.00 0.00 55.95 55.53 1gqv s SER 76 Cb 0.00 -0.69 -0.06 0.00 0.10 0.00 0.00 66.02 65.38 1gqv s SER 76 CO 0.00 0.02 1.02 -1.10 0.98 0.00 0.00 173.24 174.16 1gqv s GLN 77 N -3.55 3.63 0.12 4.02 -0.21 -1.26 -4.63 119.66 117.78 1gqv s GLN 77 Ca 0.30 1.04 0.05 0.00 0.02 0.00 0.00 55.36 56.78 1gqv s GLN 77 Cb -0.06 -2.08 -0.04 0.00 1.00 0.00 0.00 33.01 31.83 1gqv s GLN 77 CO 0.18 -0.54 -0.12 0.14 -2.12 0.00 0.00 175.29 172.83 1gqv s VAL 78 N -2.61 1.18 0.60 1.09 -7.23 -0.44 -4.90 120.40 108.08 1gqv s VAL 78 Ca 0.60 -1.72 -0.19 0.00 -1.81 0.00 0.00 61.98 58.87 1gqv s VAL 78 Cb -0.13 -1.49 -0.03 0.00 0.56 0.00 0.00 36.38 35.29 1gqv s VAL 78 CO 0.36 -0.49 1.21 -2.84 -0.31 0.00 0.00 175.10 173.03 1gqv s PRO 79 N -2.80 2.95 0.17 4.82 0.02 -1.26 -1.86 135.00 137.04 1gqv s PRO 79 Ca 0.08 1.84 -0.11 0.00 0.02 0.00 0.00 61.00 62.83 1gqv s PRO 79 Cb -0.04 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.56 1gqv s PRO 79 CO 0.02 -1.23 0.34 -0.48 -0.33 0.00 0.00 177.00 175.32 1gqv s LEU 80 N -4.09 0.75 -0.11 -5.54 0.05 -0.17 -0.83 118.68 108.75 1gqv s LEU 80 Ca 0.78 -0.77 0.00 0.00 0.05 0.00 0.00 54.13 54.19 1gqv s LEU 80 Cb -0.31 1.42 0.02 0.00 -2.05 0.00 0.00 46.19 45.28 1gqv s LEU 80 CO 0.33 -0.93 -0.10 -0.63 -0.55 0.00 0.00 176.35 174.47 1gqv s ILE 81 N -3.94 1.18 -0.20 1.48 -1.09 -0.30 -1.80 121.20 116.52 1gqv s ILE 81 Ca 0.15 -0.41 -0.13 0.00 -2.23 0.00 0.00 60.65 58.04 1gqv s ILE 81 Cb 0.02 -1.14 -0.05 0.00 -1.58 0.00 0.00 42.46 39.71 1gqv s ILE 81 CO -0.01 0.39 0.25 -1.00 -1.23 0.00 0.00 174.94 173.34 1gqv s HIS 82 N 1.43 3.39 -0.18 3.97 3.76 -0.26 -1.04 115.29 126.37 1gqv s HIS 82 Ca 0.01 0.45 -0.07 0.00 -0.15 0.00 0.00 55.06 55.29 1gqv s HIS 82 Cb -0.13 -2.32 -0.04 0.00 1.11 0.00 0.00 32.58 31.19 1gqv s HIS 82 CO -0.06 0.15 0.07 0.00 -0.85 0.00 0.00 174.74 174.05 1gqv s ASN 84 N 0.26 2.43 -0.01 0.00 0.01 -0.85 -1.52 114.94 115.26 1gqv s ASN 84 Ca 0.04 -0.43 -0.30 0.00 -0.71 0.00 0.00 52.86 51.46 1gqv s ASN 84 Cb -0.12 -1.11 -0.07 0.00 0.41 0.00 0.00 41.25 40.36 1gqv s ASN 84 CO 0.00 0.08 1.67 -0.22 -1.51 0.00 0.00 177.10 177.12 1gqv s LEU 85 N 0.62 4.35 -0.10 0.60 2.96 -0.43 -0.96 118.68 125.72 1gqv s LEU 85 Ca -0.14 2.35 0.16 0.00 -0.22 0.00 0.00 54.13 56.28 1gqv s LEU 85 Cb -0.16 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.75 1gqv s LEU 85 CO 0.04 -0.92 0.21 0.35 -1.32 0.00 0.00 176.35 174.72 1gqv n THR 86 N 5.22 0.63 -3.52 3.68 -2.24 -0.14 -4.91 114.28 112.99 1gqv n THR 86 Ca 0.17 -0.57 -0.28 0.00 -2.27 0.00 0.00 64.05 61.10 1gqv n THR 86 Cb 0.42 -0.27 -0.14 0.00 -2.10 0.00 0.00 70.33 68.24 1gqv n THR 86 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1gqv s THR 87 N -2.78 -0.09 0.87 4.28 2.01 -1.09 -4.98 115.64 113.86 1gqv s THR 87 Ca -0.07 -0.80 -0.11 0.00 0.31 0.00 0.00 61.69 61.02 1gqv s THR 87 Cb 0.08 -0.99 0.11 0.00 0.01 0.00 0.00 72.50 71.71 1gqv s THR 87 CO 0.71 -0.72 1.09 -2.16 -0.69 0.00 0.00 174.62 172.85 1gqv s PRO 88 N 2.06 1.50 -0.41 4.92 0.04 -1.26 -2.19 135.00 139.66 1gqv s PRO 88 Ca 0.10 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1gqv s PRO 88 Cb -0.16 -1.83 0.23 0.00 0.04 0.00 0.00 34.50 32.78 1gqv s PRO 88 CO -0.34 -2.08 1.01 0.45 0.04 0.00 0.00 177.00 176.08 1gqv n SER 89 N -3.78 -2.17 0.15 6.66 2.88 -1.26 -4.79 113.62 111.31 1gqv n SER 89 Ca 0.07 -2.12 0.13 0.00 -1.33 0.00 0.00 58.87 55.62 1gqv n SER 89 Cb 0.55 1.19 0.51 0.00 -0.75 0.00 0.00 64.21 65.71 1gqv n SER 89 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1gqv h PRO 90 N 4.03 0.00 -0.02 -1.46 0.13 -1.96 -2.20 132.00 130.52 1gqv h PRO 90 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1gqv h PRO 90 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1gqv h PRO 90 CO -0.01 0.00 -0.27 1.04 -0.23 0.00 0.00 178.00 178.52 1gqv n GLN 91 N -2.38 1.65 -2.94 0.86 3.00 -1.26 -4.60 117.38 111.71 1gqv n GLN 91 Ca 0.02 -1.36 -0.07 0.00 -0.01 0.00 0.00 57.00 55.59 1gqv n GLN 91 Cb 0.26 -1.47 -0.01 0.00 0.00 0.00 0.00 30.24 29.02 1gqv n GLN 91 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1gqv s ASN 92 N -2.28 -0.96 0.53 1.08 3.04 -0.84 -5.03 114.94 110.47 1gqv s ASN 92 Ca 0.23 -1.76 0.28 0.00 0.04 0.00 0.00 52.86 51.64 1gqv s ASN 92 Cb 0.19 1.54 1.42 0.00 -1.54 0.00 0.00 41.25 42.86 1gqv s ASN 92 CO 0.46 -0.09 1.94 0.40 -3.04 0.00 0.00 177.10 176.76 1gqv h ILE 93 N 4.95 0.64 0.00 -5.21 2.04 -1.77 -0.03 117.51 118.13 1gqv h ILE 93 Ca 0.09 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 1gqv h ILE 93 Cb 1.09 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1gqv h ILE 93 CO 0.08 0.00 -0.01 0.28 0.00 0.00 0.00 178.15 178.51 1gqv h SER 94 N 0.03 0.00 -0.58 1.72 0.02 -1.96 -2.96 113.55 109.82 1gqv h SER 94 Ca 0.35 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 61.06 1gqv h SER 94 Cb 1.36 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.76 1gqv h SER 94 CO -0.01 0.01 0.19 0.59 -1.14 0.00 0.00 176.83 176.46 1gqv n ASN 95 N -3.35 3.48 -4.67 3.07 3.02 -0.03 -4.91 115.26 111.88 1gqv n ASN 95 Ca -0.03 -3.51 -0.41 0.00 -0.03 0.00 0.00 54.58 50.61 1gqv n ASN 95 Cb 0.10 -0.70 -0.05 0.00 -0.61 0.00 0.00 39.78 38.52 1gqv n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gqv s ARG 97 N 1.95 2.22 0.11 0.00 0.52 -0.93 -4.92 118.95 117.89 1gqv s ARG 97 Ca 0.33 -1.13 0.06 0.00 -0.52 0.00 0.00 55.73 54.48 1gqv s ARG 97 Cb -0.16 -2.28 -0.03 0.00 0.52 0.00 0.00 34.95 32.99 1gqv s ARG 97 CO 0.12 0.46 -0.16 0.71 0.02 0.00 0.00 175.30 176.46 1gqv s TYR 98 N -1.57 1.44 0.39 -0.53 1.51 -1.26 -0.97 117.35 116.36 1gqv s TYR 98 Ca 0.25 -0.50 -0.05 0.00 -1.01 0.00 0.00 57.07 55.76 1gqv s TYR 98 Cb -0.10 -0.77 -0.04 0.00 -0.11 0.00 0.00 41.96 40.93 1gqv s TYR 98 CO 0.16 0.14 0.68 0.00 -1.11 0.00 0.00 175.55 175.42 1gqv s ALA 99 N -1.71 3.51 -0.07 3.71 0.00 -0.13 -4.49 121.76 122.58 1gqv s ALA 99 Ca 0.06 -0.54 0.05 0.00 0.00 0.00 0.00 51.96 51.52 1gqv s ALA 99 Cb -0.07 -2.44 -0.00 0.00 0.00 0.00 0.00 23.12 20.60 1gqv s ALA 99 CO 0.03 -0.07 -0.21 1.14 0.00 0.00 0.00 175.76 176.66 1gqv s GLN 100 N -4.17 2.35 -0.19 0.00 0.00 -1.26 -2.01 119.66 114.38 1gqv s GLN 100 Ca 0.46 -0.75 0.00 0.00 -0.00 0.00 0.00 55.36 55.07 1gqv s GLN 100 Cb -0.10 -1.93 0.05 0.00 0.00 0.00 0.00 33.01 31.03 1gqv s GLN 100 CO 0.37 0.24 -0.07 0.99 0.00 0.00 0.00 175.29 176.82 1gqv s THR 101 N 0.13 1.40 0.28 3.63 2.01 -0.19 -4.97 115.64 117.92 1gqv s THR 101 Ca -0.09 -0.89 -0.21 0.00 0.31 0.00 0.00 61.69 60.81 1gqv s THR 101 Cb -0.14 -1.55 -0.09 0.00 0.01 0.00 0.00 72.50 70.72 1gqv s THR 101 CO 0.05 0.10 0.81 -2.16 -0.69 0.00 0.00 174.62 172.73 1gqv s PRO 102 N 1.50 4.34 0.26 4.92 0.04 -1.26 -1.10 135.00 143.69 1gqv s PRO 102 Ca -0.01 1.01 -0.16 0.00 0.04 0.00 0.00 61.00 61.88 1gqv s PRO 102 Cb -0.16 -2.77 0.01 0.00 0.04 0.00 0.00 34.50 31.61 1gqv s PRO 102 CO -0.08 0.31 0.58 0.00 0.04 0.00 0.00 177.00 177.86 1gqv s ALA 103 N -1.63 -0.65 -0.22 8.56 0.00 -0.75 -4.99 121.76 122.08 1gqv s ALA 103 Ca 0.47 -0.64 -0.00 0.00 0.00 0.00 0.00 51.96 51.79 1gqv s ALA 103 Cb -0.16 0.98 0.06 0.00 0.00 0.00 0.00 23.12 23.99 1gqv s ALA 103 CO 0.21 -0.93 -0.03 -0.80 0.00 0.00 0.00 175.76 174.20 1gqv s ASN 104 N -2.98 3.58 0.09 0.00 0.01 -1.26 -0.99 114.94 113.39 1gqv s ASN 104 Ca 0.18 -1.07 -0.04 0.00 -0.71 0.00 0.00 52.86 51.23 1gqv s ASN 104 Cb -0.03 -1.03 -0.03 0.00 0.41 0.00 0.00 41.25 40.57 1gqv s ASN 104 CO 0.08 -0.25 0.07 -0.04 -1.51 0.00 0.00 177.10 175.46 1gqv s MET 105 N 1.51 0.80 0.73 -0.60 -1.94 -0.78 -4.89 119.30 114.13 1gqv s MET 105 Ca -0.04 -1.21 -0.11 0.00 -1.71 0.00 0.00 55.69 52.61 1gqv s MET 105 Cb -0.18 0.27 0.03 0.00 2.01 0.00 0.00 34.83 36.95 1gqv s MET 105 CO -0.07 -0.22 1.09 -0.06 -0.01 0.00 0.00 175.02 175.76 1gqv s PHE 106 N -3.94 3.19 0.06 -0.03 0.08 -0.28 -1.32 117.98 115.73 1gqv s PHE 106 Ca 0.12 1.11 0.00 0.00 0.12 0.00 0.00 56.93 58.28 1gqv s PHE 106 Cb 0.07 -3.05 -0.04 0.00 -0.57 0.00 0.00 43.02 39.43 1gqv s PHE 106 CO -0.06 -1.33 -0.04 1.52 -0.10 0.00 0.00 175.22 175.21 1gqv s TYR 107 N -3.27 0.58 -0.13 0.36 1.13 -1.26 -1.58 117.35 113.18 1gqv s TYR 107 Ca 0.59 -0.90 0.01 0.00 -1.41 0.00 0.00 57.07 55.36 1gqv s TYR 107 Cb -0.12 -0.39 0.02 0.00 -1.10 0.00 0.00 41.96 40.37 1gqv s TYR 107 CO 0.53 -0.27 -0.15 0.42 -2.51 0.00 0.00 175.55 173.57 1gqv s ILE 108 N -3.25 1.57 0.03 -3.49 1.01 -0.22 -0.90 121.20 115.96 1gqv s ILE 108 Ca 0.03 -0.66 0.06 0.00 0.00 0.00 0.00 60.65 60.08 1gqv s ILE 108 Cb 0.03 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 1gqv s ILE 108 CO -0.06 0.46 -0.15 0.54 0.00 0.00 0.00 174.94 175.73 1gqv s VAL 109 N 1.26 3.05 -0.00 2.92 0.11 -0.77 -1.08 120.40 125.89 1gqv s VAL 109 Ca 0.00 -1.07 -0.21 0.00 -2.93 0.00 0.00 61.98 57.77 1gqv s VAL 109 Cb -0.14 -2.30 -0.05 0.00 -1.53 0.00 0.00 36.38 32.36 1gqv s VAL 109 CO -0.07 0.35 0.61 0.00 -3.33 0.00 0.00 175.10 172.66 1gqv s ALA 110 N -0.95 3.47 0.12 1.54 0.00 -0.40 -1.06 121.76 124.47 1gqv s ALA 110 Ca 0.16 0.05 0.08 0.00 0.00 0.00 0.00 51.96 52.25 1gqv s ALA 110 Cb -0.11 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 1gqv s ALA 110 CO 0.06 0.15 -0.20 0.00 0.00 0.00 0.00 175.76 175.77 1gqv s ASP 112 N -2.09 0.16 0.52 0.00 3.68 -0.52 -4.86 116.67 113.56 1gqv s ASP 112 Ca 0.09 -1.13 -0.23 0.00 2.13 0.00 0.00 52.55 53.41 1gqv s ASP 112 Cb -0.09 0.38 -0.06 0.00 -1.45 0.00 0.00 42.92 41.70 1gqv s ASP 112 CO 0.05 -0.84 1.37 0.59 0.13 0.00 0.00 175.17 176.47 1gqv n ASN 113 N -0.19 2.83 -4.70 -0.34 3.02 -1.26 -1.33 115.26 113.27 1gqv n ASN 113 Ca -0.04 1.02 -0.31 0.00 -0.03 0.00 0.00 54.58 55.22 1gqv n ASN 113 Cb 0.64 -1.58 0.14 0.00 -0.61 0.00 0.00 39.78 38.37 1gqv n ASN 113 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gqv s ARG 114 N -2.74 1.43 -0.14 3.52 1.70 -0.22 -4.82 118.95 117.68 1gqv s ARG 114 Ca 0.68 1.38 -0.29 0.00 -0.47 0.00 0.00 55.73 57.03 1gqv s ARG 114 Cb -0.43 -1.79 -0.05 0.00 -0.57 0.00 0.00 34.95 32.12 1gqv s ARG 114 CO 0.52 -2.29 1.79 0.34 -1.08 0.00 0.00 175.30 174.58 1gqv s ASP 115 N -2.95 6.29 0.18 -2.89 -1.08 -1.26 -4.92 116.67 110.04 1gqv s ASP 115 Ca 0.65 1.98 -0.13 0.00 -0.52 0.00 0.00 52.55 54.53 1gqv s ASP 115 Cb -0.21 -2.53 0.11 0.00 -1.46 0.00 0.00 42.92 38.83 1gqv s ASP 115 CO 0.57 -1.28 1.83 -0.61 0.52 0.00 0.00 175.17 176.21 1gqv h GLN 116 N 11.22 0.70 0.09 4.34 5.75 -1.92 -1.97 115.11 133.33 1gqv h GLN 116 Ca -0.39 -0.04 -0.25 0.00 -0.15 0.00 0.00 58.65 57.81 1gqv h GLN 116 Cb 1.19 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.58 1gqv h GLN 116 CO 0.97 0.47 -1.14 0.00 -2.65 0.00 0.00 178.83 176.48 1gqv h ARG 117 N 0.73 0.27 0.00 1.69 3.08 -2.04 -3.42 114.38 114.69 1gqv h ARG 117 Ca 0.22 -0.41 -0.05 0.00 0.07 0.00 0.00 59.98 59.81 1gqv h ARG 117 Cb -0.03 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1gqv h ARG 117 CO -0.08 1.16 -1.24 0.54 -1.07 0.00 0.00 179.97 179.28 1gqv n ARG 118 N -3.58 2.72 -2.88 0.04 1.74 -1.16 -5.01 116.66 108.54 1gqv n ARG 118 Ca -0.07 -0.01 -0.36 0.00 -0.77 0.00 0.00 57.85 56.64 1gqv n ARG 118 Cb 0.96 -1.10 -0.06 0.00 -1.02 0.00 0.00 32.46 31.24 1gqv n ARG 118 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1gqv s ASP 119 N -3.26 7.22 0.39 0.55 1.01 -0.75 -5.01 116.67 116.82 1gqv s ASP 119 Ca -0.02 1.70 -0.27 0.00 0.71 0.00 0.00 52.55 54.67 1gqv s ASP 119 Cb 0.01 -2.53 -0.09 0.00 1.01 0.00 0.00 42.92 41.32 1gqv s ASP 119 CO 0.16 -0.07 1.32 -2.16 0.21 0.00 0.00 175.17 174.62 1gqv s PRO 120 N -2.15 4.07 0.59 8.23 0.04 -1.26 -4.87 135.00 139.65 1gqv s PRO 120 Ca 0.49 2.20 0.40 0.00 0.04 0.00 0.00 61.00 64.13 1gqv s PRO 120 Cb -0.17 -2.85 2.09 0.00 0.04 0.00 0.00 34.50 33.61 1gqv s PRO 120 CO 0.22 -0.42 2.21 -1.35 0.04 0.00 0.00 177.00 177.69 1gqv h PRO 121 N 2.87 0.00 -0.93 0.56 0.11 -1.95 -3.05 132.00 129.60 1gqv h PRO 121 Ca -0.50 0.00 0.27 0.00 0.11 0.00 0.00 66.00 65.88 1gqv h PRO 121 Cb 1.24 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.21 1gqv h PRO 121 CO 0.63 0.00 0.38 0.37 -0.21 0.00 0.00 178.00 179.18 1gqv h GLN 122 N 0.00 0.27 -3.92 1.05 4.15 -2.04 -3.34 115.11 111.28 1gqv h GLN 122 Ca 0.00 -0.02 -0.66 0.00 0.77 0.00 0.00 58.65 58.74 1gqv h GLN 122 Cb 0.07 -0.06 -0.39 0.00 0.21 0.00 0.00 27.48 27.31 1gqv h GLN 122 CO 0.00 0.18 -0.61 0.71 -1.93 0.00 0.00 178.83 177.18 1gqv s TYR 123 N -5.82 3.44 0.41 3.99 2.02 -1.15 -4.98 117.35 115.25 1gqv s TYR 123 Ca -0.11 -2.97 0.09 0.00 -0.37 0.00 0.00 57.07 53.70 1gqv s TYR 123 Cb 0.28 -2.96 0.87 0.00 -0.40 0.00 0.00 41.96 39.74 1gqv s TYR 123 CO 0.78 -0.84 2.00 -1.00 -1.57 0.00 0.00 175.55 174.92 1gqv h PRO 124 N 7.07 0.35 -5.36 -1.71 0.13 -1.84 -3.42 132.00 127.22 1gqv h PRO 124 Ca -0.06 -0.05 -0.68 0.00 -0.87 0.00 0.00 66.00 64.34 1gqv h PRO 124 Cb 0.96 -0.07 -0.32 0.00 0.13 0.00 0.00 31.00 31.70 1gqv h PRO 124 CO 0.64 0.33 -0.87 0.08 -0.23 0.00 0.00 178.00 177.96 1gqv s VAL 125 N -5.10 2.15 0.06 1.56 1.01 -1.26 -1.06 120.40 117.76 1gqv s VAL 125 Ca -0.07 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 60.94 1gqv s VAL 125 Cb 0.16 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 1gqv s VAL 125 CO 0.73 0.56 -0.08 0.68 0.00 0.00 0.00 175.10 176.99 1gqv s VAL 126 N 0.32 0.59 0.26 2.92 -7.23 -0.44 -4.92 120.40 111.90 1gqv s VAL 126 Ca -0.18 -1.33 -0.29 0.00 -1.81 0.00 0.00 61.98 58.37 1gqv s VAL 126 Cb -0.18 -0.92 -0.09 0.00 0.56 0.00 0.00 36.38 35.75 1gqv s VAL 126 CO 0.09 -0.52 1.23 -2.16 -0.31 0.00 0.00 175.10 173.42 1gqv s PRO 127 N -2.23 4.47 0.00 4.82 0.04 -1.26 -1.44 135.00 139.40 1gqv s PRO 127 Ca -0.04 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1gqv s PRO 127 Cb -0.06 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1gqv s PRO 127 CO -0.01 -0.06 0.00 1.33 0.04 0.00 0.00 177.00 178.30 1gqv n VAL 128 N 1.62 0.00 -3.68 -0.36 0.24 0.16 -3.96 118.33 112.35 1gqv n VAL 128 Ca 0.02 -0.07 -0.14 0.00 -2.04 0.00 0.00 64.34 62.11 1gqv n VAL 128 Cb 0.43 0.50 -0.08 0.00 -1.47 0.00 0.00 33.84 33.22 1gqv n VAL 128 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1gqv s HIS 129 N -1.50 -0.56 -0.54 6.34 3.76 -1.16 -4.76 115.29 116.86 1gqv s HIS 129 Ca 0.00 1.30 -0.24 0.00 -0.15 0.00 0.00 55.06 55.98 1gqv s HIS 129 Cb 0.00 0.22 0.04 0.00 1.11 0.00 0.00 32.58 33.95 1gqv s HIS 129 CO 0.00 -0.33 0.91 -1.17 -0.85 0.00 0.00 174.74 173.29 1gqv s LEU 130 N -0.03 4.20 -0.02 0.89 2.96 -1.26 -1.28 118.68 124.13 1gqv s LEU 130 Ca -0.03 -0.40 -0.18 0.00 -0.22 0.00 0.00 54.13 53.30 1gqv s LEU 130 Cb -0.04 -2.79 -0.33 0.00 0.50 0.00 0.00 46.19 43.54 1gqv s LEU 130 CO 0.02 -1.19 0.87 -0.78 -1.32 0.00 0.00 176.35 173.96 1gqv h ASP 131 N 9.27 0.62 -4.49 3.68 1.82 -1.45 -3.49 116.42 122.38 1gqv h ASP 131 Ca -0.26 -0.93 -0.03 0.00 -0.39 0.00 0.00 57.03 55.42 1gqv h ASP 131 Cb 1.08 -0.20 -0.21 0.00 0.68 0.00 0.00 39.33 40.68 1gqv h ASP 131 CO 1.07 1.58 0.25 -0.60 -1.61 0.00 0.00 179.24 179.93 1gqv s ARG 132 N -2.51 0.90 -0.08 0.28 6.06 -1.10 -4.66 118.95 117.83 1gqv s ARG 132 Ca -0.13 0.45 0.00 0.00 -2.50 0.00 0.00 55.73 53.56 1gqv s ARG 132 Cb 0.03 0.43 -0.03 0.00 0.06 0.00 0.00 34.95 35.44 1gqv s ARG 132 CO 0.87 -0.23 -0.08 0.42 -2.50 0.00 0.00 175.30 173.78 1gqv s ILE 133 N -0.68 3.57 0.00 4.11 -1.09 -1.26 -1.06 121.20 124.79 1gqv s ILE 133 Ca -0.06 -0.52 0.00 0.00 -2.23 0.00 0.00 60.65 57.85 1gqv s ILE 133 Cb -0.02 -2.47 0.00 0.00 -1.58 0.00 0.00 42.46 38.39 1gqv s ILE 133 CO 0.05 0.57 0.00 2.30 -1.23 0.00 0.00 174.94 176.64