#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqp s GLU 2 N 0.00 2.06 0.34 1.97 -1.05 -1.26 -5.15 118.70 115.61 1aqp s GLU 2 Ca 0.00 -1.62 0.08 0.00 -0.15 0.00 0.00 54.97 53.28 1aqp s GLU 2 Cb 0.00 0.53 -0.04 0.00 -0.44 0.00 0.00 34.13 34.18 1aqp s GLU 2 CO 0.00 -0.91 0.19 0.95 0.95 0.00 0.00 175.26 176.45 1aqp s THR 3 N -2.72 3.14 0.34 1.83 -4.23 -1.26 -4.99 115.64 107.75 1aqp s THR 3 Ca 0.24 -1.59 0.03 0.00 -1.18 0.00 0.00 61.69 59.19 1aqp s THR 3 Cb -0.03 -3.04 0.20 0.00 1.34 0.00 0.00 72.50 70.98 1aqp s THR 3 CO 0.16 -0.17 1.93 0.00 -0.54 0.00 0.00 174.62 176.01 1aqp h ALA 4 N 1.44 1.44 -0.04 3.99 0.00 -1.98 -0.65 119.26 123.47 1aqp h ALA 4 Ca -0.44 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1aqp h ALA 4 Cb 1.25 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1aqp h ALA 4 CO 0.62 0.42 -0.03 0.00 0.00 0.00 0.00 179.25 180.26 1aqp h ALA 5 N 1.54 0.05 0.00 0.00 0.00 -1.89 -2.72 119.26 116.25 1aqp h ALA 5 Ca 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1aqp h ALA 5 Cb 0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1aqp h ALA 5 CO -0.02 -0.18 -0.12 0.00 0.00 0.00 0.00 179.25 178.94 1aqp h ALA 6 N 0.54 1.43 -0.07 0.00 0.00 -1.88 -1.65 119.26 117.63 1aqp h ALA 6 Ca 0.01 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 1aqp h ALA 6 Cb 0.52 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1aqp h ALA 6 CO 0.01 0.15 -0.68 -0.22 0.00 0.00 0.00 179.25 178.50 1aqp h LYS 7 N 0.00 0.30 -0.54 0.00 3.64 -1.06 -1.52 116.57 117.39 1aqp h LYS 7 Ca -0.00 -0.23 -0.11 0.00 -1.27 0.00 0.00 60.65 59.03 1aqp h LYS 7 Cb 0.28 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1aqp h LYS 7 CO 0.02 0.87 -0.11 0.35 -2.27 0.00 0.00 179.45 178.30 1aqp h PHE 8 N 0.21 1.15 -0.61 1.91 3.04 -0.99 -1.09 116.94 120.56 1aqp h PHE 8 Ca -0.02 -0.24 -0.05 0.00 3.98 0.00 0.00 57.97 61.64 1aqp h PHE 8 Cb 1.23 -0.28 -0.03 0.00 2.56 0.00 0.00 35.95 39.43 1aqp h PHE 8 CO 0.03 1.07 0.20 0.93 -2.02 0.00 0.00 178.31 178.52 1aqp h GLU 9 N 0.90 0.94 -0.21 1.11 5.08 -1.26 0.15 114.58 121.29 1aqp h GLU 9 Ca 0.14 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1aqp h GLU 9 Cb 0.68 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1aqp h GLU 9 CO 0.05 0.83 0.06 -0.09 -1.00 0.00 0.00 179.01 178.86 1aqp h ARG 10 N 0.86 0.33 0.03 2.33 2.43 -1.10 -1.26 114.38 117.99 1aqp h ARG 10 Ca 0.20 -0.07 -0.22 0.00 -0.81 0.00 0.00 59.98 59.07 1aqp h ARG 10 Cb 0.27 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1aqp h ARG 10 CO -0.01 0.43 -1.03 1.96 -1.51 0.00 0.00 179.97 179.80 1aqp h GLN 11 N 0.17 0.06 0.00 0.20 4.20 -1.17 -3.42 115.11 115.16 1aqp h GLN 11 Ca 0.07 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1aqp h GLN 11 Cb 0.24 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1aqp h GLN 11 CO -0.00 1.03 0.00 0.72 -0.67 0.00 0.00 178.83 179.91 1aqp n HIS 12 N -3.41 0.00 -4.72 2.96 8.25 0.50 -4.70 115.22 114.11 1aqp n HIS 12 Ca -0.02 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.11 1aqp n HIS 12 Cb 0.94 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.91 1aqp n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1aqp s MET 13 N -0.02 3.41 -0.42 -0.41 -1.94 -0.48 0.36 119.30 119.80 1aqp s MET 13 Ca 0.00 -0.66 0.04 0.00 -1.71 0.00 0.00 55.69 53.36 1aqp s MET 13 Cb 0.00 -2.67 0.17 0.00 2.01 0.00 0.00 34.83 34.34 1aqp s MET 13 CO 0.00 0.24 0.39 0.34 -0.01 0.00 0.00 175.02 175.98 1aqp s ASP 14 N 0.31 1.05 0.00 3.03 2.15 -0.35 -4.79 116.67 118.07 1aqp s ASP 14 Ca -0.09 -2.66 0.30 0.00 0.43 0.00 0.00 52.55 50.53 1aqp s ASP 14 Cb -0.15 0.03 1.58 0.00 -0.30 0.00 0.00 42.92 44.07 1aqp s ASP 14 CO 0.05 -0.17 2.08 -1.20 -0.17 0.00 0.00 175.17 175.76 1aqp n SER 15 N 3.07 0.01 0.21 -0.34 7.64 -1.26 -3.75 113.62 119.19 1aqp n SER 15 Ca 0.25 -0.27 0.13 0.00 1.01 0.00 0.00 58.87 59.99 1aqp n SER 15 Cb 0.48 -0.24 0.36 0.00 -1.01 0.00 0.00 64.21 63.80 1aqp n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1aqp h SER 16 N 0.01 0.00 -4.33 6.43 4.64 -1.93 -3.45 113.55 114.92 1aqp h SER 16 Ca 0.00 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.86 1aqp h SER 16 Cb 0.25 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.10 1aqp h SER 16 CO 0.00 0.00 -0.80 0.42 -0.87 0.00 0.00 176.83 175.58 1aqp s THR 17 N -3.31 1.22 -0.35 2.95 -4.23 -1.25 -5.02 115.64 105.65 1aqp s THR 17 Ca 0.06 -1.11 0.25 0.00 -1.18 0.00 0.00 61.69 59.71 1aqp s THR 17 Cb 0.08 -1.11 0.35 0.00 1.34 0.00 0.00 72.50 73.15 1aqp s THR 17 CO 0.61 -0.01 1.70 0.28 -0.54 0.00 0.00 174.62 176.65 1aqp h SER 18 N 4.76 0.00 -5.31 3.99 0.02 -1.87 -3.43 113.55 111.71 1aqp h SER 18 Ca -0.40 0.00 0.14 0.00 -0.84 0.00 0.00 61.79 60.69 1aqp h SER 18 Cb 1.18 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.67 1aqp h SER 18 CO 0.43 0.00 0.49 0.00 -1.14 0.00 0.00 176.83 176.61 1aqp s ALA 19 N -3.30 -1.49 0.17 3.77 0.00 -1.26 -4.83 121.76 114.83 1aqp s ALA 19 Ca 0.06 -0.21 -0.33 0.00 0.00 0.00 0.00 51.96 51.48 1aqp s ALA 19 Cb 0.06 0.70 -0.13 0.00 0.00 0.00 0.00 23.12 23.76 1aqp s ALA 19 CO 0.63 -1.05 1.64 0.00 0.00 0.00 0.00 175.76 176.99 1aqp n ALA 20 N -0.58 1.89 1.12 0.00 0.00 -1.26 -4.88 120.51 116.80 1aqp n ALA 20 Ca -0.05 0.42 0.14 0.00 0.00 0.00 0.00 53.44 53.96 1aqp n ALA 20 Cb 0.60 -2.42 0.66 0.00 0.00 0.00 0.00 19.45 18.29 1aqp n ALA 20 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1aqp n SER 21 N 3.72 0.00 -3.60 0.00 3.41 -1.26 -4.93 113.62 110.96 1aqp n SER 21 Ca 0.17 0.31 0.02 0.00 -0.26 0.00 0.00 58.87 59.11 1aqp n SER 21 Cb 0.31 -0.43 -0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1aqp n SER 21 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1aqp s SER 22 N -2.88 -0.05 0.07 4.04 1.04 -1.26 -4.98 113.70 109.68 1aqp s SER 22 Ca 0.18 -0.09 0.14 0.00 0.48 0.00 0.00 55.95 56.66 1aqp s SER 22 Cb 0.19 0.12 0.60 0.00 0.10 0.00 0.00 66.02 67.03 1aqp s SER 22 CO 0.51 -0.22 1.43 -1.54 0.98 0.00 0.00 173.24 174.41 1aqp n SER 23 N -0.46 0.17 -1.10 7.02 3.41 -1.26 -1.60 113.62 119.79 1aqp n SER 23 Ca -0.08 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.20 1aqp n SER 23 Cb 0.63 -0.58 0.21 0.00 -0.26 0.00 0.00 64.21 64.21 1aqp n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1aqp n ASN 24 N -1.69 3.30 -0.12 4.04 4.05 -1.26 -4.34 115.26 119.24 1aqp n ASN 24 Ca 0.02 -1.98 -0.05 0.00 0.45 0.00 0.00 54.58 53.02 1aqp n ASN 24 Cb 0.14 -0.21 0.01 0.00 1.23 0.00 0.00 39.78 40.95 1aqp n ASN 24 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 177.26 174.43 1aqp h TYR 25 N 4.38 -0.45 -0.73 1.20 3.20 -1.68 -1.67 116.97 121.23 1aqp h TYR 25 Ca 0.00 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 1aqp h TYR 25 Cb 0.96 0.26 -0.03 0.00 1.54 0.00 0.00 36.73 39.46 1aqp h TYR 25 CO 0.21 -0.26 0.30 0.00 -1.64 0.00 0.00 178.16 176.76 1aqp h ASN 27 N 1.06 1.07 -0.03 0.00 2.35 -1.64 -0.35 115.58 118.04 1aqp h ASN 27 Ca 0.25 -0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.80 1aqp h ASN 27 Cb 0.19 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1aqp h ASN 27 CO -0.02 0.89 -0.28 1.56 -1.65 0.00 0.00 177.43 177.92 1aqp h GLN 28 N 1.18 0.24 -0.32 0.81 4.20 -0.88 -3.22 115.11 117.11 1aqp h GLN 28 Ca 0.29 -0.22 -0.09 0.00 0.06 0.00 0.00 58.65 58.69 1aqp h GLN 28 Cb 0.09 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1aqp h GLN 28 CO -0.04 0.90 -0.16 0.52 -0.67 0.00 0.00 178.83 179.38 1aqp h MET 29 N -0.35 0.67 -0.41 1.46 2.86 -0.75 -1.59 114.93 116.82 1aqp h MET 29 Ca -0.03 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1aqp h MET 29 Cb 0.98 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.60 1aqp h MET 29 CO 0.06 0.89 0.26 0.52 1.06 0.00 0.00 176.91 179.70 1aqp h MET 30 N 0.44 0.54 0.02 1.72 2.86 -1.20 -1.05 114.93 118.26 1aqp h MET 30 Ca 0.07 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1aqp h MET 30 Cb 0.70 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1aqp h MET 30 CO 0.05 0.36 -0.01 -0.22 1.06 0.00 0.00 176.91 178.15 1aqp h LYS 31 N 0.55 -0.02 0.00 1.72 3.64 -1.55 -0.27 116.57 120.64 1aqp h LYS 31 Ca 0.15 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1aqp h LYS 31 Cb -0.05 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1aqp h LYS 31 CO -0.03 0.74 -0.14 0.66 -2.27 0.00 0.00 179.45 178.41 1aqp h SER 32 N -0.86 0.00 -0.38 4.20 4.64 -1.18 -1.68 113.55 118.29 1aqp h SER 32 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1aqp h SER 32 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1aqp h SER 32 CO 0.00 0.14 0.00 0.54 -0.87 0.00 0.00 176.83 176.64 1aqp n ARG 33 N -3.79 2.42 -3.20 4.77 5.12 -0.41 -4.92 116.66 116.65 1aqp n ARG 33 Ca -0.02 -1.59 -0.23 0.00 -1.93 0.00 0.00 57.85 54.08 1aqp n ARG 33 Cb 0.24 -1.55 0.03 0.00 -1.16 0.00 0.00 32.46 30.02 1aqp n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1aqp n ASN 34 N 0.58 -5.50 -0.71 0.55 5.15 -0.63 -4.82 115.26 109.88 1aqp n ASN 34 Ca 0.14 -0.36 0.13 0.00 -0.60 0.00 0.00 54.58 53.90 1aqp n ASN 34 Cb 0.51 -4.45 0.30 0.00 -0.53 0.00 0.00 39.78 35.61 1aqp n ASN 34 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1aqp n LEU 35 N -4.08 2.24 -0.05 1.20 4.77 -0.12 -4.12 117.00 116.84 1aqp n LEU 35 Ca -0.07 -0.75 0.02 0.00 -0.03 0.00 0.00 56.01 55.19 1aqp n LEU 35 Cb 0.59 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.71 1aqp n LEU 35 CO 0.51 0.37 0.46 0.35 -1.33 0.00 0.00 177.39 177.76 1aqp n THR 36 N 0.73 0.98 -0.20 -5.08 -2.24 -1.21 -2.92 114.28 104.35 1aqp n THR 36 Ca 0.16 -1.08 -0.09 0.00 -2.27 0.00 0.00 64.05 60.78 1aqp n THR 36 Cb 0.48 0.40 0.02 0.00 -2.10 0.00 0.00 70.33 69.13 1aqp n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1aqp h LYS 37 N 0.00 0.96 0.00 -0.78 3.64 -1.90 -3.33 116.57 115.16 1aqp h LYS 37 Ca 0.00 -0.28 -0.32 0.00 -1.27 0.00 0.00 60.65 58.78 1aqp h LYS 37 Cb 0.76 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.42 1aqp h LYS 37 CO 0.00 0.94 -2.21 -0.25 -2.27 0.00 0.00 179.45 175.66 1aqp n ASP 38 N -4.29 0.89 -3.80 4.20 8.00 -1.26 -5.05 116.55 115.24 1aqp n ASP 38 Ca 0.02 -0.02 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 1aqp n ASP 38 Cb 0.30 0.77 -0.02 0.00 -0.02 0.00 0.00 41.12 42.15 1aqp n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aqp s ARG 39 N -2.43 1.49 -0.66 -1.24 1.70 -1.25 -5.10 118.95 111.45 1aqp s ARG 39 Ca -0.11 -0.82 -0.23 0.00 -0.47 0.00 0.00 55.73 54.09 1aqp s ARG 39 Cb 0.06 0.51 0.06 0.00 -0.57 0.00 0.00 34.95 35.00 1aqp s ARG 39 CO 0.69 -0.68 1.01 0.00 -1.08 0.00 0.00 175.30 175.24 1aqp n LYS 41 N 7.93 2.09 -0.12 0.00 4.81 -1.15 -4.86 118.16 126.86 1aqp n LYS 41 Ca -0.02 0.77 -0.07 0.00 -0.87 0.00 0.00 58.31 58.11 1aqp n LYS 41 Cb 0.46 -2.58 0.01 0.00 0.02 0.00 0.00 35.03 32.94 1aqp n LYS 41 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1aqp h PRO 42 N 8.39 0.46 -4.50 1.64 0.11 -1.93 -3.44 132.00 132.72 1aqp h PRO 42 Ca -0.48 -0.03 -0.28 0.00 0.11 0.00 0.00 66.00 65.32 1aqp h PRO 42 Cb 1.27 -0.10 -0.23 0.00 0.11 0.00 0.00 31.00 32.05 1aqp h PRO 42 CO 0.93 0.30 -0.74 0.08 -0.21 0.00 0.00 178.00 178.37 1aqp s VAL 43 N -6.16 0.50 -0.26 3.15 1.01 -1.26 -0.88 120.40 116.52 1aqp s VAL 43 Ca -0.13 -0.90 -0.26 0.00 0.00 0.00 0.00 61.98 60.69 1aqp s VAL 43 Cb 0.11 -0.55 0.10 0.00 0.00 0.00 0.00 36.38 36.04 1aqp s VAL 43 CO 0.72 -0.28 0.87 0.21 0.00 0.00 0.00 175.10 176.62 1aqp s ASN 44 N -1.28 -0.59 -0.05 3.32 2.47 -0.39 -5.02 114.94 113.40 1aqp s ASN 44 Ca -0.08 1.09 0.06 0.00 0.42 0.00 0.00 52.86 54.35 1aqp s ASN 44 Cb -0.08 1.08 -0.02 0.00 -1.45 0.00 0.00 41.25 40.78 1aqp s ASN 44 CO 0.00 -0.23 -0.22 -0.89 -3.72 0.00 0.00 177.10 172.04 1aqp s THR 45 N 0.13 2.34 -0.00 -5.21 2.01 -1.26 -0.14 115.64 113.51 1aqp s THR 45 Ca 0.01 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.06 1aqp s THR 45 Cb -0.04 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 1aqp s THR 45 CO -0.02 0.57 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.05 1aqp s PHE 46 N -0.38 2.86 -0.19 4.92 0.08 -0.52 -4.34 117.98 120.43 1aqp s PHE 46 Ca 0.03 -0.05 -0.02 0.00 0.12 0.00 0.00 56.93 57.00 1aqp s PHE 46 Cb -0.12 -1.61 -0.01 0.00 -0.57 0.00 0.00 43.02 40.71 1aqp s PHE 46 CO 0.02 0.35 -0.08 0.08 -0.10 0.00 0.00 175.22 175.49 1aqp s VAL 47 N -0.96 3.26 -0.98 -0.44 1.01 0.16 -1.27 120.40 121.17 1aqp s VAL 47 Ca 0.16 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 1aqp s VAL 47 Cb -0.11 -2.44 0.28 0.00 0.00 0.00 0.00 36.38 34.11 1aqp s VAL 47 CO 0.06 0.47 2.04 1.41 0.00 0.00 0.00 175.10 179.08 1aqp n HIS 48 N 4.28 2.71 -4.19 5.22 -0.00 0.18 -1.21 115.22 122.21 1aqp n HIS 48 Ca -0.18 -2.49 -0.11 0.00 -0.00 0.00 0.00 57.72 54.94 1aqp n HIS 48 Cb 0.51 -1.30 -0.10 0.00 -0.00 0.00 0.00 29.99 29.10 1aqp n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1aqp s GLU 49 N -3.60 0.94 0.72 -0.41 0.41 -1.26 -4.62 118.70 110.88 1aqp s GLU 49 Ca 0.46 -1.42 -0.15 0.00 -0.41 0.00 0.00 54.97 53.46 1aqp s GLU 49 Cb 0.27 -0.13 0.03 0.00 -1.78 0.00 0.00 34.13 32.53 1aqp s GLU 49 CO -0.21 -0.11 1.18 -1.54 -0.49 0.00 0.00 175.26 174.09 1aqp s SER 50 N -3.09 4.37 0.20 -0.19 1.04 -1.26 -4.39 113.70 110.39 1aqp s SER 50 Ca 0.18 2.24 -0.11 0.00 0.48 0.00 0.00 55.95 58.75 1aqp s SER 50 Cb 0.06 -2.58 0.14 0.00 0.10 0.00 0.00 66.02 63.75 1aqp s SER 50 CO -0.01 -2.14 1.87 0.25 0.98 0.00 0.00 173.24 174.20 1aqp h LEU 51 N -0.31 0.83 -0.93 2.42 5.85 -1.98 -2.54 115.31 118.65 1aqp h LEU 51 Ca -0.47 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.32 1aqp h LEU 51 Cb 1.28 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 42.03 1aqp h LEU 51 CO 0.50 0.61 0.57 0.00 -0.34 0.00 0.00 178.44 179.78 1aqp h ALA 52 N 1.26 1.34 -0.26 1.25 0.00 -1.98 0.11 119.26 120.98 1aqp h ALA 52 Ca 0.26 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 1aqp h ALA 52 Cb -0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1aqp h ALA 52 CO -0.06 0.24 -0.31 -0.44 0.00 0.00 0.00 179.25 178.68 1aqp h ASP 53 N 0.97 0.56 0.18 0.00 5.19 -1.83 -1.49 116.42 120.00 1aqp h ASP 53 Ca 0.44 -0.22 -0.26 0.00 -0.62 0.00 0.00 57.03 56.37 1aqp h ASP 53 Cb 0.34 -0.16 0.02 0.00 0.18 0.00 0.00 39.33 39.71 1aqp h ASP 53 CO -0.23 0.85 -1.06 0.58 -3.12 0.00 0.00 179.24 176.26 1aqp h VAL 54 N 0.47 1.33 -0.06 -1.35 2.07 -1.08 -3.20 116.25 114.43 1aqp h VAL 54 Ca 0.06 -2.40 -0.06 0.00 0.82 0.00 0.00 66.70 65.12 1aqp h VAL 54 Cb 0.78 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 1aqp h VAL 54 CO 0.06 0.73 -0.23 1.56 0.02 0.00 0.00 177.57 179.71 1aqp h GLN 55 N 0.30 0.10 0.00 1.57 4.20 -0.70 -1.51 115.11 119.06 1aqp h GLN 55 Ca -0.12 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1aqp h GLN 55 Cb 1.71 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.48 1aqp h GLN 55 CO 0.20 0.33 0.00 0.00 -0.67 0.00 0.00 178.83 178.68 1aqp h ALA 56 N 1.68 1.00 0.00 3.87 0.00 -1.27 -2.63 119.26 121.91 1aqp h ALA 56 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1aqp h ALA 56 Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1aqp h ALA 56 CO 0.03 0.00 -0.09 0.28 0.00 0.00 0.00 179.25 179.47 1aqp h VAL 57 N 0.00 0.56 0.00 0.00 2.07 -1.33 -1.74 116.25 115.82 1aqp h VAL 57 Ca 0.00 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1aqp h VAL 57 Cb 0.33 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1aqp h VAL 57 CO 0.00 0.09 0.00 0.00 0.02 0.00 0.00 177.57 177.68 1aqp n SER 59 N -2.15 3.67 0.00 0.00 7.64 -0.65 -4.98 113.62 117.15 1aqp n SER 59 Ca 0.00 -2.70 0.00 0.00 1.01 0.00 0.00 58.87 57.18 1aqp n SER 59 Cb 0.10 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 1aqp n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aqp n GLN 60 N -0.13 0.00 -2.50 1.43 6.02 -0.34 -5.02 117.38 116.84 1aqp n GLN 60 Ca 0.19 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.75 1aqp n GLN 60 Cb 0.76 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 32.00 1aqp n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1aqp s LYS 61 N 3.89 3.51 0.04 -1.09 2.36 -0.64 -4.86 119.74 122.94 1aqp s LYS 61 Ca 0.00 0.47 -0.31 0.00 -2.55 0.00 0.00 55.97 53.58 1aqp s LYS 61 Cb 0.00 -4.02 -0.06 0.00 -1.05 0.00 0.00 37.83 32.69 1aqp s LYS 61 CO 0.00 -1.68 1.40 1.21 1.55 0.00 0.00 175.35 177.84 1aqp s ASN 62 N 3.40 6.84 0.17 1.43 3.04 -1.26 0.29 114.94 128.84 1aqp s ASN 62 Ca 0.49 2.19 -0.04 0.00 0.04 0.00 0.00 52.86 55.54 1aqp s ASN 62 Cb -0.09 -2.57 -0.03 0.00 -1.54 0.00 0.00 41.25 37.02 1aqp s ASN 62 CO 0.28 -0.70 0.16 0.68 -3.04 0.00 0.00 177.10 174.48 1aqp s VAL 63 N 1.99 0.06 0.39 -5.21 -7.23 -0.13 -4.91 120.40 105.36 1aqp s VAL 63 Ca 0.64 -1.79 -0.23 0.00 -1.81 0.00 0.00 61.98 58.80 1aqp s VAL 63 Cb -0.33 -2.14 -0.10 0.00 0.56 0.00 0.00 36.38 34.36 1aqp s VAL 63 CO 0.28 -0.26 0.95 0.00 -0.31 0.00 0.00 175.10 175.76 1aqp s ALA 64 N -4.06 3.10 0.68 1.32 0.00 -1.26 -3.17 121.76 118.37 1aqp s ALA 64 Ca 0.27 0.46 -0.10 0.00 0.00 0.00 0.00 51.96 52.59 1aqp s ALA 64 Cb 0.06 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 20.02 1aqp s ALA 64 CO 0.05 0.12 1.05 0.00 0.00 0.00 0.00 175.76 176.98 1aqp h LYS 66 N -0.55 0.72 0.00 0.00 1.57 -1.91 -1.66 116.57 114.74 1aqp h LYS 66 Ca -0.45 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1aqp h LYS 66 Cb 1.26 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1aqp h LYS 66 CO 0.63 0.47 0.00 0.27 -0.57 0.00 0.00 179.45 180.26 1aqp n ASN 67 N -4.48 0.00 0.00 0.86 0.23 -1.26 -4.89 115.26 105.72 1aqp n ASN 67 Ca 0.11 -1.31 0.00 0.00 -0.53 0.00 0.00 54.58 52.84 1aqp n ASN 67 Cb 0.23 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 1aqp n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1aqp n GLY 68 N 0.78 3.26 3.66 4.83 0.00 -0.62 -5.05 105.19 112.04 1aqp n GLY 68 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1aqp n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1aqp s GLN 69 N -0.54 0.91 -0.23 1.61 -0.21 -1.26 -4.65 119.66 115.29 1aqp s GLN 69 Ca 0.00 1.22 0.10 0.00 0.02 0.00 0.00 55.36 56.70 1aqp s GLN 69 Cb 0.00 -1.74 0.43 0.00 1.00 0.00 0.00 33.01 32.70 1aqp s GLN 69 CO 0.00 -2.60 1.21 2.41 -2.12 0.00 0.00 175.29 174.19 1aqp n THR 70 N -4.18 2.27 -1.08 -0.19 -1.04 -1.26 0.15 114.28 108.94 1aqp n THR 70 Ca 0.09 -3.44 -0.12 0.00 -2.04 0.00 0.00 64.05 58.54 1aqp n THR 70 Cb 0.53 -0.41 0.26 0.00 -1.82 0.00 0.00 70.33 68.89 1aqp n THR 70 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1aqp n ASN 71 N -1.03 4.48 -4.91 8.00 6.94 -1.26 -4.74 115.26 122.74 1aqp n ASN 71 Ca 0.24 -3.34 -0.32 0.00 -0.02 0.00 0.00 54.58 51.14 1aqp n ASN 71 Cb 0.75 -0.78 -0.04 0.00 -2.36 0.00 0.00 39.78 37.34 1aqp n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1aqp s TYR 73 N -1.45 0.24 -0.08 0.00 1.51 0.20 -0.95 117.35 116.81 1aqp s TYR 73 Ca 0.33 -0.01 -0.04 0.00 -1.01 0.00 0.00 57.07 56.34 1aqp s TYR 73 Cb -0.13 -0.26 -0.04 0.00 -0.11 0.00 0.00 41.96 41.43 1aqp s TYR 73 CO 0.25 -0.06 0.09 -1.14 -1.11 0.00 0.00 175.55 173.58 1aqp s GLN 74 N 0.49 3.23 0.42 -0.62 0.74 0.14 -1.48 119.66 122.59 1aqp s GLN 74 Ca -0.05 -0.29 -0.24 0.00 0.05 0.00 0.00 55.36 54.83 1aqp s GLN 74 Cb -0.07 -3.00 -0.08 0.00 1.10 0.00 0.00 33.01 30.95 1aqp s GLN 74 CO -0.01 0.73 1.18 -1.54 -0.55 0.00 0.00 175.29 175.09 1aqp s SER 75 N -1.17 6.37 0.13 6.67 1.04 -0.46 -1.62 113.70 124.66 1aqp s SER 75 Ca 0.17 2.35 -0.13 0.00 0.48 0.00 0.00 55.95 58.82 1aqp s SER 75 Cb -0.12 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.34 1aqp s SER 75 CO 0.06 -0.78 1.48 1.88 0.98 0.00 0.00 173.24 176.86 1aqp h TYR 76 N 2.41 0.96 -1.14 5.02 0.05 -1.95 -3.45 116.97 118.87 1aqp h TYR 76 Ca -0.49 -0.26 -0.55 0.00 0.05 0.00 0.00 58.73 57.48 1aqp h TYR 76 Cb 1.24 -0.21 -0.05 0.00 1.01 0.00 0.00 36.73 38.71 1aqp h TYR 76 CO 0.54 1.03 -0.38 0.45 -1.05 0.00 0.00 178.16 178.75 1aqp s SER 77 N -6.59 4.71 0.57 3.88 0.15 -1.26 -5.06 113.70 110.09 1aqp s SER 77 Ca -0.12 -1.05 -0.08 0.00 0.70 0.00 0.00 55.95 55.40 1aqp s SER 77 Cb 0.10 -0.13 -0.03 0.00 -1.71 0.00 0.00 66.02 64.25 1aqp s SER 77 CO 0.84 -0.81 0.92 0.42 1.20 0.00 0.00 173.24 175.82 1aqp s THR 78 N -2.63 4.52 0.08 6.45 -4.23 -1.26 -4.47 115.64 114.09 1aqp s THR 78 Ca 0.40 0.45 0.01 0.00 -1.18 0.00 0.00 61.69 61.38 1aqp s THR 78 Cb -0.01 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 70.02 1aqp s THR 78 CO 0.23 -0.89 -0.06 -0.04 -0.54 0.00 0.00 174.62 173.33 1aqp s MET 79 N -5.00 0.73 -0.31 3.99 -1.94 0.81 -4.87 119.30 112.70 1aqp s MET 79 Ca 0.52 -1.18 -0.28 0.00 -1.71 0.00 0.00 55.69 53.04 1aqp s MET 79 Cb -0.11 -0.16 0.02 0.00 2.01 0.00 0.00 34.83 36.59 1aqp s MET 79 CO 0.49 -0.02 1.04 0.45 -0.01 0.00 0.00 175.02 176.98 1aqp s SER 80 N -2.67 6.91 0.18 3.03 0.15 -1.26 -1.80 113.70 118.24 1aqp s SER 80 Ca 0.06 1.03 0.05 0.00 0.70 0.00 0.00 55.95 57.78 1aqp s SER 80 Cb 0.02 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.75 1aqp s SER 80 CO -0.04 -0.84 -0.08 0.27 1.20 0.00 0.00 173.24 173.75 1aqp s ILE 81 N 3.56 1.23 -0.16 6.45 -4.36 -0.28 -0.64 121.20 126.99 1aqp s ILE 81 Ca 0.44 -2.08 -0.00 0.00 -0.26 0.00 0.00 60.65 58.75 1aqp s ILE 81 Cb -0.12 -2.04 0.04 0.00 1.25 0.00 0.00 42.46 41.58 1aqp s ILE 81 CO 0.15 -0.59 -0.08 -0.89 0.24 0.00 0.00 174.94 173.77 1aqp s THR 82 N -3.29 1.25 -0.13 8.37 2.01 -0.40 -1.10 115.64 122.34 1aqp s THR 82 Ca 0.21 -0.62 -0.23 0.00 0.31 0.00 0.00 61.69 61.36 1aqp s THR 82 Cb 0.03 -1.33 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 1aqp s THR 82 CO 0.04 0.23 0.71 -0.62 -0.69 0.00 0.00 174.62 174.30 1aqp s ASP 83 N 1.59 6.88 -0.27 3.53 -1.08 0.99 -1.43 116.67 126.88 1aqp s ASP 83 Ca 0.02 1.07 -0.04 0.00 -0.52 0.00 0.00 52.55 53.08 1aqp s ASP 83 Cb -0.14 -2.40 0.01 0.00 -1.46 0.00 0.00 42.92 38.93 1aqp s ASP 83 CO -0.08 -0.24 0.01 0.00 0.52 0.00 0.00 175.17 175.38 1aqp s ARG 85 N 1.43 2.04 0.29 0.00 3.52 -0.79 -1.26 118.95 124.18 1aqp s ARG 85 Ca 0.02 -0.52 -0.30 0.00 -0.13 0.00 0.00 55.73 54.79 1aqp s ARG 85 Cb -0.17 -1.66 -0.12 0.00 -1.56 0.00 0.00 34.95 31.44 1aqp s ARG 85 CO -0.01 0.03 1.53 -1.91 -0.81 0.00 0.00 175.30 174.14 1aqp n GLU 86 N 3.85 2.51 -1.65 5.12 2.13 -0.05 -0.22 120.64 132.33 1aqp n GLU 86 Ca -0.21 0.89 -0.30 0.00 0.66 0.00 0.00 57.16 58.19 1aqp n GLU 86 Cb 0.52 -2.63 0.06 0.00 0.27 0.00 0.00 31.44 29.66 1aqp n GLU 86 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1aqp s THR 87 N -0.13 3.67 0.34 6.31 -1.32 -0.37 -4.80 115.64 119.35 1aqp s THR 87 Ca 0.64 0.54 0.35 0.00 -1.21 0.00 0.00 61.69 62.01 1aqp s THR 87 Cb -0.54 -3.35 0.38 0.00 -1.51 0.00 0.00 72.50 67.48 1aqp s THR 87 CO 0.50 -0.71 2.11 1.23 -2.21 0.00 0.00 174.62 175.55 1aqp h GLY 88 N -0.80 0.00 1.14 6.08 0.00 -1.93 -2.80 103.07 104.76 1aqp h GLY 88 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1aqp h GLY 88 CO 0.59 0.00 -0.79 1.48 0.00 0.00 0.00 176.54 177.82 1aqp h SER 89 N 0.00 0.00 -2.44 0.19 4.64 -1.94 -3.47 113.55 110.53 1aqp h SER 89 Ca -0.00 -0.07 -0.60 0.00 -0.47 0.00 0.00 61.79 60.65 1aqp h SER 89 Cb 0.33 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.50 1aqp h SER 89 CO 0.00 0.04 0.59 -0.24 -0.87 0.00 0.00 176.83 176.35 1aqp n SER 90 N -2.53 2.55 -3.68 4.97 2.88 -1.06 -5.00 113.62 111.74 1aqp n SER 90 Ca 0.01 1.13 -0.13 0.00 -1.33 0.00 0.00 58.87 58.56 1aqp n SER 90 Cb 0.51 -1.38 -0.13 0.00 -0.75 0.00 0.00 64.21 62.46 1aqp n SER 90 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1aqp s LYS 91 N -0.10 0.18 0.39 -1.46 1.02 -1.19 -4.94 119.74 113.64 1aqp s LYS 91 Ca 0.72 0.70 -0.27 0.00 0.02 0.00 0.00 55.97 57.14 1aqp s LYS 91 Cb -0.70 -0.04 -0.11 0.00 -0.52 0.00 0.00 37.83 36.46 1aqp s LYS 91 CO 0.48 -0.24 1.31 0.98 -0.92 0.00 0.00 175.35 176.95 1aqp n TYR 92 N 4.97 2.31 1.05 3.18 9.36 -1.26 -0.17 117.16 136.60 1aqp n TYR 92 Ca -0.13 0.51 0.13 0.00 3.32 0.00 0.00 57.90 61.73 1aqp n TYR 92 Cb 0.51 -2.41 0.61 0.00 -0.63 0.00 0.00 39.34 37.42 1aqp n TYR 92 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1aqp n PRO 93 N 0.24 0.14 -2.71 2.98 -0.02 -1.26 -4.97 135.00 129.40 1aqp n PRO 93 Ca 0.05 0.04 -0.43 0.00 -2.02 0.00 0.00 63.50 61.14 1aqp n PRO 93 Cb 0.38 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 1aqp n PRO 93 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1aqp n ASN 94 N -1.42 5.31 -4.72 2.55 3.02 0.76 -5.00 115.26 115.76 1aqp n ASN 94 Ca 0.09 -3.09 -0.42 0.00 -0.03 0.00 0.00 54.58 51.13 1aqp n ASN 94 Cb 0.28 -1.48 -0.03 0.00 -0.61 0.00 0.00 39.78 37.94 1aqp n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1aqp s ALA 96 N 0.92 1.23 0.06 0.00 0.00 -1.26 -4.97 121.76 117.74 1aqp s ALA 96 Ca 0.61 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 52.02 1aqp s ALA 96 Cb -0.34 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 1aqp s ALA 96 CO 0.31 0.27 -0.12 0.71 0.00 0.00 0.00 175.76 176.93 1aqp s TYR 97 N -0.15 1.00 -0.15 0.00 1.51 -1.26 -1.23 117.35 117.06 1aqp s TYR 97 Ca 0.02 -0.48 -0.14 0.00 -1.01 0.00 0.00 57.07 55.46 1aqp s TYR 97 Cb -0.08 -0.57 -0.05 0.00 -0.11 0.00 0.00 41.96 41.15 1aqp s TYR 97 CO 0.00 0.00 0.32 0.21 -1.11 0.00 0.00 175.55 174.97 1aqp s LYS 98 N -1.69 4.26 -0.22 -0.62 2.36 0.69 -4.58 119.74 119.94 1aqp s LYS 98 Ca -0.05 0.14 -0.12 0.00 -2.55 0.00 0.00 55.97 53.40 1aqp s LYS 98 Cb -0.10 -3.43 -0.05 0.00 -1.05 0.00 0.00 37.83 33.21 1aqp s LYS 98 CO 0.02 0.23 0.21 0.99 1.55 0.00 0.00 175.35 178.35 1aqp s THR 99 N 0.48 5.33 -0.16 3.43 2.01 -1.26 -1.89 115.64 123.58 1aqp s THR 99 Ca 0.18 0.32 -0.00 0.00 0.31 0.00 0.00 61.69 62.49 1aqp s THR 99 Cb -0.13 -3.55 0.04 0.00 0.01 0.00 0.00 72.50 68.87 1aqp s THR 99 CO 0.05 0.35 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.38 1aqp s THR 100 N 0.91 1.12 -0.06 -0.82 2.01 -0.19 -4.99 115.64 113.62 1aqp s THR 100 Ca 0.11 -0.59 -0.18 0.00 0.31 0.00 0.00 61.69 61.34 1aqp s THR 100 Cb -0.13 -1.27 -0.05 0.00 0.01 0.00 0.00 72.50 71.06 1aqp s THR 100 CO 0.04 0.17 0.50 -1.58 -0.69 0.00 0.00 174.62 173.06 1aqp s GLN 101 N 1.63 4.25 0.29 4.92 2.00 -1.26 -0.01 119.66 131.49 1aqp s GLN 101 Ca 0.01 0.53 -0.11 0.00 -2.00 0.00 0.00 55.36 53.79 1aqp s GLN 101 Cb -0.15 -3.36 0.01 0.00 0.80 0.00 0.00 33.01 30.31 1aqp s GLN 101 CO -0.08 0.33 0.53 0.00 -0.50 0.00 0.00 175.29 175.58 1aqp s ALA 102 N 0.03 -0.10 -0.26 1.58 0.00 -0.26 -4.98 121.76 117.76 1aqp s ALA 102 Ca 0.27 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 1aqp s ALA 102 Cb -0.16 1.03 0.08 0.00 0.00 0.00 0.00 23.12 24.06 1aqp s ALA 102 CO 0.13 -0.87 0.05 -0.80 0.00 0.00 0.00 175.76 174.27 1aqp s ASN 103 N -3.08 3.68 0.21 0.00 -0.87 -1.26 -1.13 114.94 112.50 1aqp s ASN 103 Ca 0.23 -1.32 -0.02 0.00 -1.57 0.00 0.00 52.86 50.18 1aqp s ASN 103 Cb -0.01 -0.86 -0.04 0.00 -0.02 0.00 0.00 41.25 40.32 1aqp s ASN 103 CO 0.12 -0.35 0.18 -0.54 -2.57 0.00 0.00 177.10 173.94 1aqp s LYS 104 N 1.63 1.27 0.32 -0.60 1.02 -0.75 -4.77 119.74 117.85 1aqp s LYS 104 Ca 0.04 -1.61 -0.25 0.00 0.02 0.00 0.00 55.97 54.17 1aqp s LYS 104 Cb -0.18 0.30 -0.10 0.00 -0.52 0.00 0.00 37.83 37.33 1aqp s LYS 104 CO -0.16 -0.43 0.91 -1.01 -0.92 0.00 0.00 175.35 173.74 1aqp s HIS 105 N -4.11 3.66 0.14 3.18 3.76 -1.26 -0.13 115.29 120.53 1aqp s HIS 105 Ca 0.37 1.71 0.06 0.00 -0.15 0.00 0.00 55.06 57.06 1aqp s HIS 105 Cb 0.06 -2.87 -0.04 0.00 1.11 0.00 0.00 32.58 30.84 1aqp s HIS 105 CO 0.12 0.21 0.01 0.96 -0.85 0.00 0.00 174.74 175.19 1aqp s ILE 106 N -1.64 3.88 -0.16 0.60 -4.36 -1.26 -0.27 121.20 117.99 1aqp s ILE 106 Ca 0.50 -1.22 0.00 0.00 -0.26 0.00 0.00 60.65 59.67 1aqp s ILE 106 Cb -0.18 -2.91 0.03 0.00 1.25 0.00 0.00 42.46 40.65 1aqp s ILE 106 CO 0.23 -0.01 -0.10 -0.63 0.24 0.00 0.00 174.94 174.66 1aqp s ILE 107 N -1.55 1.40 0.20 8.37 1.01 0.74 -1.35 121.20 130.02 1aqp s ILE 107 Ca 0.27 -0.66 0.11 0.00 0.00 0.00 0.00 60.65 60.37 1aqp s ILE 107 Cb -0.10 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 1aqp s ILE 107 CO 0.19 0.31 -0.22 0.68 0.00 0.00 0.00 174.94 175.90 1aqp s VAL 108 N 1.53 2.25 -0.19 2.92 -7.23 -0.55 -0.30 120.40 118.84 1aqp s VAL 108 Ca 0.03 -2.06 -0.12 0.00 -1.81 0.00 0.00 61.98 58.02 1aqp s VAL 108 Cb -0.14 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 1aqp s VAL 108 CO -0.09 -0.20 0.21 0.00 -0.31 0.00 0.00 175.10 174.71 1aqp s ALA 109 N -1.87 3.63 -0.04 1.32 0.00 0.22 -0.62 121.76 124.40 1aqp s ALA 109 Ca 0.21 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.58 1aqp s ALA 109 Cb -0.07 -2.30 -0.03 0.00 0.00 0.00 0.00 23.12 20.72 1aqp s ALA 109 CO 0.10 0.07 -0.07 0.00 0.00 0.00 0.00 175.76 175.86 1aqp s GLU 111 N -1.05 1.15 1.29 0.00 2.02 -0.52 -4.89 118.70 116.70 1aqp s GLU 111 Ca 0.14 -1.23 0.00 0.00 0.02 0.00 0.00 54.97 53.90 1aqp s GLU 111 Cb -0.11 0.36 0.00 0.00 0.10 0.00 0.00 34.13 34.48 1aqp s GLU 111 CO 0.04 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.32 1aqp n GLY 112 N -0.21 -1.78 2.76 -1.39 0.00 -1.26 -1.52 105.19 101.79 1aqp n GLY 112 Ca -0.06 -1.32 -0.18 0.00 0.00 0.00 0.00 46.02 44.46 1aqp n GLY 112 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1aqp s ASN 113 N -4.00 1.47 0.38 1.61 -0.87 -1.26 -2.59 114.94 109.69 1aqp s ASN 113 Ca 0.00 -0.39 -0.27 0.00 -1.57 0.00 0.00 52.86 50.63 1aqp s ASN 113 Cb 0.00 0.45 -0.10 0.00 -0.02 0.00 0.00 41.25 41.58 1aqp s ASN 113 CO 0.00 -0.35 1.39 -2.16 -2.57 0.00 0.00 177.10 173.42 1aqp s PRO 114 N 2.34 4.08 -0.42 -0.60 0.04 -1.26 -5.08 135.00 134.10 1aqp s PRO 114 Ca 0.08 2.37 -0.28 0.00 0.04 0.00 0.00 61.00 63.22 1aqp s PRO 114 Cb -0.15 -2.90 -0.01 0.00 0.04 0.00 0.00 34.50 31.47 1aqp s PRO 114 CO -0.20 -0.48 1.74 -0.47 0.04 0.00 0.00 177.00 177.63 1aqp s TYR 115 N -1.17 1.89 0.14 0.56 5.04 -1.07 -4.87 117.35 117.88 1aqp s TYR 115 Ca 0.54 0.67 0.03 0.00 -2.44 0.00 0.00 57.07 55.87 1aqp s TYR 115 Cb -0.43 -4.16 -0.04 0.00 0.35 0.00 0.00 41.96 37.68 1aqp s TYR 115 CO 0.57 -2.60 -0.08 0.14 -1.34 0.00 0.00 175.55 172.24 1aqp s VAL 116 N 7.16 0.99 0.09 3.14 -7.23 -0.58 -4.86 120.40 119.11 1aqp s VAL 116 Ca 0.73 -2.02 -0.31 0.00 -1.81 0.00 0.00 61.98 58.57 1aqp s VAL 116 Cb -0.18 -1.86 -0.08 0.00 0.56 0.00 0.00 36.38 34.82 1aqp s VAL 116 CO 0.30 -0.73 1.51 -2.16 -0.31 0.00 0.00 175.10 173.71 1aqp s PRO 117 N -3.79 4.25 -0.03 4.82 0.04 -1.26 -1.44 135.00 137.59 1aqp s PRO 117 Ca 0.17 2.19 0.03 0.00 0.04 0.00 0.00 61.00 63.43 1aqp s PRO 117 Cb 0.04 -3.38 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 1aqp s PRO 117 CO -0.00 -0.59 0.02 0.28 0.04 0.00 0.00 177.00 176.76 1aqp n VAL 118 N 4.30 0.18 -4.21 -0.36 0.31 0.52 -4.71 118.33 114.37 1aqp n VAL 118 Ca 0.14 -0.13 -0.17 0.00 -0.01 0.00 0.00 64.34 64.17 1aqp n VAL 118 Cb 0.41 -0.66 -0.13 0.00 -0.91 0.00 0.00 33.84 32.55 1aqp n VAL 118 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1aqp s HIS 119 N -2.11 0.90 -0.31 3.52 3.76 -1.12 -4.44 115.29 115.49 1aqp s HIS 119 Ca -0.02 -0.36 -0.12 0.00 -0.15 0.00 0.00 55.06 54.42 1aqp s HIS 119 Cb 0.01 -0.54 -0.03 0.00 1.11 0.00 0.00 32.58 33.14 1aqp s HIS 119 CO 0.14 -0.01 0.21 0.12 -0.85 0.00 0.00 174.74 174.34 1aqp s PHE 120 N -0.93 3.21 -0.14 1.40 2.19 -1.26 -0.61 117.98 121.84 1aqp s PHE 120 Ca -0.03 -0.15 -0.17 0.00 0.33 0.00 0.00 56.93 56.92 1aqp s PHE 120 Cb -0.08 -2.42 -0.24 0.00 -1.31 0.00 0.00 43.02 38.97 1aqp s PHE 120 CO 0.01 -0.30 0.41 0.22 1.83 0.00 0.00 175.22 177.39 1aqp h ASP 121 N 8.42 0.24 -5.98 6.13 3.58 -0.99 -3.48 116.42 124.34 1aqp h ASP 121 Ca -0.33 -0.76 0.40 0.00 0.42 0.00 0.00 57.03 56.76 1aqp h ASP 121 Cb 1.17 -0.08 -0.11 0.00 1.72 0.00 0.00 39.33 42.03 1aqp h ASP 121 CO 0.60 1.59 1.00 0.00 -2.88 0.00 0.00 179.24 179.55 1aqp s ALA 122 N -2.44 -2.63 -0.02 -0.78 0.00 -0.95 -4.92 121.76 110.01 1aqp s ALA 122 Ca -0.23 0.58 0.05 0.00 0.00 0.00 0.00 51.96 52.35 1aqp s ALA 122 Cb 0.05 0.57 -0.01 0.00 0.00 0.00 0.00 23.12 23.73 1aqp s ALA 122 CO 0.70 -1.12 -0.16 -1.54 0.00 0.00 0.00 175.76 173.64 1aqp s SER 123 N -3.45 1.97 0.00 0.00 1.04 -1.26 -0.19 113.70 111.81 1aqp s SER 123 Ca 0.23 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1aqp s SER 123 Cb 0.04 -0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.86 1aqp s SER 123 CO -0.05 0.19 0.26 0.55 0.98 0.00 0.00 173.24 175.17