#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqp s LEU 2 N 0.00 3.96 -0.00 3.17 1.43 -1.26 -5.00 118.68 120.98 1lqp s LEU 2 Ca 0.00 1.61 0.10 0.00 -1.03 0.00 0.00 54.13 54.82 1lqp s LEU 2 Cb 0.00 -4.46 -0.11 0.00 0.03 0.00 0.00 46.19 41.65 1lqp s LEU 2 CO 0.00 -0.33 0.44 0.35 0.23 0.00 0.00 176.35 177.03 1lqp n THR 3 N -0.60 0.00 -0.97 5.49 -2.24 -1.26 -5.10 114.28 109.61 1lqp n THR 3 Ca 0.06 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1lqp n THR 3 Cb 0.54 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 1lqp n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lqp n GLY 4 N 1.25 0.49 3.67 3.38 0.00 -1.26 -5.05 105.19 107.67 1lqp n GLY 4 Ca 0.02 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 1lqp n GLY 4 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1lqp s LEU 5 N 0.00 4.18 -0.16 0.99 2.96 -1.26 -4.94 118.68 120.46 1lqp s LEU 5 Ca 0.00 1.26 -0.17 0.00 -0.22 0.00 0.00 54.13 55.00 1lqp s LEU 5 Cb 0.00 -3.32 -0.23 0.00 0.50 0.00 0.00 46.19 43.13 1lqp s LEU 5 CO 0.00 -0.43 0.36 -1.13 -1.32 0.00 0.00 176.35 173.83 1lqp h ASN 6 N 7.29 0.19 -4.87 3.68 -0.73 -1.96 -3.48 115.58 115.70 1lqp h ASN 6 Ca -0.29 -0.72 0.02 0.00 1.87 0.00 0.00 56.30 57.18 1lqp h ASN 6 Cb 1.13 -0.06 -0.14 0.00 0.27 0.00 0.00 38.32 39.52 1lqp h ASN 6 CO 0.85 1.59 0.30 -1.38 -0.37 0.00 0.00 177.43 178.43 1lqp s HIS 7 N -2.43 -0.48 -0.20 0.67 -3.43 -1.26 -4.41 115.29 103.75 1lqp s HIS 7 Ca -0.25 0.35 -0.03 0.00 -0.80 0.00 0.00 55.06 54.33 1lqp s HIS 7 Cb 0.05 0.54 -0.01 0.00 -1.43 0.00 0.00 32.58 31.73 1lqp s HIS 7 CO 0.68 -0.73 -0.07 -1.17 -2.00 0.00 0.00 174.74 171.46 1lqp s LEU 8 N -2.54 2.85 -0.15 5.38 2.96 -0.48 -5.03 118.68 121.67 1lqp s LEU 8 Ca 0.01 -0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 53.55 1lqp s LEU 8 Cb -0.01 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 1lqp s LEU 8 CO -0.10 0.03 -0.12 -0.89 -1.32 0.00 0.00 176.35 173.95 1lqp s THR 9 N 1.16 2.98 -0.14 3.68 2.01 -1.26 -0.56 115.64 123.51 1lqp s THR 9 Ca 0.02 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.34 1lqp s THR 9 Cb -0.14 -2.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.07 1lqp s THR 9 CO -0.02 0.51 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.56 1lqp s LEU 10 N 0.68 2.89 0.25 4.42 1.43 -0.06 -4.97 118.68 123.31 1lqp s LEU 10 Ca -0.06 -0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 52.48 1lqp s LEU 10 Cb -0.15 -1.67 -0.09 0.00 0.03 0.00 0.00 46.19 44.31 1lqp s LEU 10 CO 0.02 0.17 1.31 0.00 0.23 0.00 0.00 176.35 178.08 1lqp s ALA 11 N 0.34 3.52 -0.03 4.21 0.00 -1.26 -1.19 121.76 127.35 1lqp s ALA 11 Ca -0.09 1.16 0.01 0.00 0.00 0.00 0.00 51.96 53.05 1lqp s ALA 11 Cb -0.15 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.51 1lqp s ALA 11 CO 0.05 -0.56 -0.04 0.14 0.00 0.00 0.00 175.76 175.35 1lqp s VAL 12 N -0.38 0.45 0.09 0.00 -7.23 -0.19 -4.89 120.40 108.25 1lqp s VAL 12 Ca 0.54 -0.11 -0.03 0.00 -1.81 0.00 0.00 61.98 60.56 1lqp s VAL 12 Cb -0.38 -0.46 -0.25 0.00 0.56 0.00 0.00 36.38 35.85 1lqp s VAL 12 CO 0.43 0.19 1.20 0.00 -0.31 0.00 0.00 175.10 176.61 1lqp h ALA 13 N 6.90 0.19 -3.27 1.32 0.00 -1.82 0.21 119.26 122.78 1lqp h ALA 13 Ca -0.37 -0.84 -0.63 0.00 0.00 0.00 0.00 54.91 53.06 1lqp h ALA 13 Cb 1.16 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 18.52 1lqp h ALA 13 CO 0.48 0.96 -0.64 0.34 0.00 0.00 0.00 179.25 180.40 1lqp s ASP 14 N -7.09 4.30 0.13 0.00 -1.08 -1.26 -4.25 116.67 107.41 1lqp s ASP 14 Ca -0.04 -3.13 -0.19 0.00 -0.52 0.00 0.00 52.55 48.67 1lqp s ASP 14 Cb 0.08 -1.56 -0.03 0.00 -1.46 0.00 0.00 42.92 39.95 1lqp s ASP 14 CO 0.87 -0.21 1.75 0.25 0.52 0.00 0.00 175.17 178.36 1lqp h LEU 15 N 6.31 0.12 -0.68 -1.34 5.85 -1.97 -0.61 115.31 122.99 1lqp h LEU 15 Ca -0.03 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.77 1lqp h LEU 15 Cb 0.87 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.85 1lqp h LEU 15 CO 0.67 0.10 0.38 -0.65 -0.34 0.00 0.00 178.44 178.60 1lqp h PRO 16 N 0.21 0.69 -0.74 5.25 0.11 -1.98 0.44 132.00 135.98 1lqp h PRO 16 Ca 0.10 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.11 1lqp h PRO 16 Cb 0.05 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 30.98 1lqp h PRO 16 CO -0.09 0.46 0.24 0.00 -0.21 0.00 0.00 178.00 178.40 1lqp h ALA 17 N 1.35 1.04 -0.26 -0.75 0.00 -1.89 -1.99 119.26 116.75 1lqp h ALA 17 Ca 0.30 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1lqp h ALA 17 Cb 0.18 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1lqp h ALA 17 CO -0.18 0.65 -0.47 0.77 0.00 0.00 0.00 179.25 180.03 1lqp h SER 18 N 1.09 0.74 -0.45 0.00 0.02 -0.49 -1.45 113.55 113.00 1lqp h SER 18 Ca 0.24 -0.36 0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1lqp h SER 18 Cb 0.28 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 1lqp h SER 18 CO -0.01 1.09 0.28 0.40 -1.14 0.00 0.00 176.83 177.45 1lqp h ILE 19 N 0.54 1.09 -0.88 3.27 2.04 -0.76 -0.82 117.51 121.99 1lqp h ILE 19 Ca 0.03 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1lqp h ILE 19 Cb 1.01 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 1lqp h ILE 19 CO 0.10 0.10 0.55 0.00 0.00 0.00 0.00 178.15 178.90 1lqp h ALA 20 N 1.18 1.12 0.46 1.87 0.00 -1.15 0.80 119.26 123.54 1lqp h ALA 20 Ca 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1lqp h ALA 20 Cb -0.03 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.41 1lqp h ALA 20 CO -0.06 0.56 -0.22 0.35 0.00 0.00 0.00 179.25 179.88 1lqp h PHE 21 N 1.20 -0.58 -0.38 0.00 3.57 -0.92 0.25 116.94 120.08 1lqp h PHE 21 Ca 0.32 -0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.64 1lqp h PHE 21 Cb -0.08 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1lqp h PHE 21 CO -0.00 -0.31 -0.38 1.88 -2.23 0.00 0.00 178.31 177.27 1lqp h TYR 22 N -0.72 1.12 0.16 0.41 -1.99 -1.03 -0.99 116.97 113.93 1lqp h TYR 22 Ca -0.06 -0.34 -0.01 0.00 2.00 0.00 0.00 58.73 60.32 1lqp h TYR 22 Cb 0.53 -0.24 0.00 0.00 2.00 0.00 0.00 36.73 39.02 1lqp h TYR 22 CO -0.02 1.17 -0.08 -0.09 -0.00 0.00 0.00 178.16 179.14 1lqp h ARG 23 N 0.76 -0.21 0.19 4.88 2.43 -0.88 -0.53 114.38 121.02 1lqp h ARG 23 Ca 0.06 0.01 -0.32 0.00 -0.81 0.00 0.00 59.98 58.92 1lqp h ARG 23 Cb 0.98 0.05 0.02 0.00 -0.42 0.00 0.00 29.97 30.59 1lqp h ARG 23 CO 0.09 0.02 -1.50 -0.44 -1.51 0.00 0.00 179.97 176.63 1lqp h ASP 24 N -1.02 0.64 0.15 -3.80 3.32 -0.64 -1.90 116.42 113.17 1lqp h ASP 24 Ca -0.02 -0.76 -0.30 0.00 0.02 0.00 0.00 57.03 55.97 1lqp h ASP 24 Cb 0.32 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1lqp h ASP 24 CO 0.04 1.61 -1.50 0.25 -1.72 0.00 0.00 179.24 177.91 1lqp h LEU 25 N 0.11 0.49 -0.30 1.55 5.85 -1.06 -3.39 115.31 118.56 1lqp h LEU 25 Ca -0.25 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 57.58 1lqp h LEU 25 Cb 2.09 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.96 1lqp h LEU 25 CO 0.22 1.67 -0.71 0.18 -0.34 0.00 0.00 178.44 179.46 1lqp n LEU 26 N -3.81 1.18 0.00 2.25 4.77 -0.44 -4.99 117.00 115.97 1lqp n LEU 26 Ca -0.24 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 1lqp n LEU 26 Cb 0.97 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 1lqp n LEU 26 CO 0.46 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1lqp n GLY 27 N 1.46 0.55 3.77 -0.72 0.00 -0.71 -4.97 105.19 104.58 1lqp n GLY 27 Ca 0.06 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 1lqp n GLY 27 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lqp s PHE 28 N -2.00 2.57 -0.18 1.61 0.40 -0.26 -4.96 117.98 115.16 1lqp s PHE 28 Ca 0.00 1.53 -0.18 0.00 -0.60 0.00 0.00 56.93 57.68 1lqp s PHE 28 Cb 0.00 -3.35 -0.04 0.00 0.51 0.00 0.00 43.02 40.14 1lqp s PHE 28 CO 0.00 -1.80 0.49 0.50 0.70 0.00 0.00 175.22 175.11 1lqp s ARG 29 N -3.32 4.22 -0.27 0.44 3.52 -0.30 -4.31 118.95 118.92 1lqp s ARG 29 Ca 0.74 0.39 -0.29 0.00 -0.13 0.00 0.00 55.73 56.44 1lqp s ARG 29 Cb -0.26 -3.53 0.01 0.00 -1.56 0.00 0.00 34.95 29.61 1lqp s ARG 29 CO 0.29 -0.07 1.09 -1.17 -0.81 0.00 0.00 175.30 174.63 1lqp s LEU 30 N 1.39 4.02 -0.20 -0.88 2.96 -1.26 -0.89 118.68 123.81 1lqp s LEU 30 Ca 0.24 1.26 0.16 0.00 -0.22 0.00 0.00 54.13 55.56 1lqp s LEU 30 Cb -0.15 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.76 1lqp s LEU 30 CO 0.09 -0.80 0.04 -0.62 -1.32 0.00 0.00 176.35 173.75 1lqp n GLU 31 N 6.65 0.73 -3.54 1.98 -0.58 0.31 -4.99 120.64 121.20 1lqp n GLU 31 Ca 0.12 0.01 -0.17 0.00 -0.42 0.00 0.00 57.16 56.70 1lqp n GLU 31 Cb 0.46 -1.51 -0.06 0.00 -0.57 0.00 0.00 31.44 29.76 1lqp n GLU 31 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1lqp s ALA 32 N -2.49 -1.64 -0.00 0.62 0.00 -0.93 -4.98 121.76 112.35 1lqp s ALA 32 Ca -0.13 1.12 -0.00 0.00 0.00 0.00 0.00 51.96 52.95 1lqp s ALA 32 Cb 0.06 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.28 1lqp s ALA 32 CO 0.79 -0.40 0.01 0.50 0.00 0.00 0.00 175.76 176.66 1lqp s ARG 33 N -1.48 0.02 0.34 0.00 3.52 -1.26 -0.80 118.95 119.28 1lqp s ARG 33 Ca -0.10 -0.01 0.04 0.00 -0.13 0.00 0.00 55.73 55.53 1lqp s ARG 33 Cb -0.01 0.01 -0.02 0.00 -1.56 0.00 0.00 34.95 33.37 1lqp s ARG 33 CO 0.07 -0.00 0.36 1.67 -0.81 0.00 0.00 175.30 176.58 1lqp s TRP 34 N -0.04 1.54 0.52 5.12 -2.14 -0.10 -5.00 118.94 118.84 1lqp s TRP 34 Ca -0.00 -1.55 0.31 0.00 2.66 0.00 0.00 56.10 57.51 1lqp s TRP 34 Cb -0.00 -0.49 1.73 0.00 -3.10 0.00 0.00 33.47 31.61 1lqp s TRP 34 CO -0.00 -0.98 2.19 0.38 -2.66 0.00 0.00 176.95 175.88 1lqp h ASP 35 N 2.11 0.00 -0.06 -2.66 2.03 -2.03 -2.82 116.42 112.99 1lqp h ASP 35 Ca -0.26 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.04 1lqp h ASP 35 Cb 1.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 1lqp h ASP 35 CO 0.37 0.05 0.00 0.00 -1.03 0.00 0.00 179.24 178.63 1lqp n GLN 36 N -3.66 2.27 -3.00 4.15 1.13 -1.26 -4.97 117.38 112.04 1lqp n GLN 36 Ca -0.02 -2.13 0.00 0.00 -1.94 0.00 0.00 57.00 52.91 1lqp n GLN 36 Cb 0.15 -1.32 0.00 0.00 0.11 0.00 0.00 30.24 29.18 1lqp n GLN 36 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1lqp n GLY 37 N -0.80 -1.12 3.29 1.08 0.00 -1.06 -1.32 105.19 105.26 1lqp n GLY 37 Ca 0.10 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 1lqp n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lqp s ALA 38 N -1.75 -0.96 -0.15 4.61 0.00 -0.59 -0.92 121.76 122.00 1lqp s ALA 38 Ca 0.00 0.48 -0.00 0.00 0.00 0.00 0.00 51.96 52.44 1lqp s ALA 38 Cb 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 1lqp s ALA 38 CO 0.00 -0.30 -0.14 0.71 0.00 0.00 0.00 175.76 176.04 1lqp s TYR 39 N -1.42 2.80 0.16 0.00 4.12 0.02 -1.01 117.35 122.01 1lqp s TYR 39 Ca -0.12 -0.85 0.05 0.00 0.02 0.00 0.00 57.07 56.17 1lqp s TYR 39 Cb -0.04 -1.88 -0.04 0.00 -1.52 0.00 0.00 41.96 38.48 1lqp s TYR 39 CO 0.05 -0.35 -0.11 -0.51 0.02 0.00 0.00 175.55 174.64 1lqp s LEU 40 N 0.63 2.53 -0.01 -1.29 1.02 -0.04 -0.53 118.68 120.98 1lqp s LEU 40 Ca -0.08 -0.99 0.02 0.00 0.02 0.00 0.00 54.13 53.10 1lqp s LEU 40 Cb -0.16 -0.44 -0.01 0.00 0.02 0.00 0.00 46.19 45.61 1lqp s LEU 40 CO 0.03 -0.28 -0.08 -0.70 0.02 0.00 0.00 176.35 175.34 1lqp s GLU 41 N -3.62 0.67 -0.20 1.70 2.12 -0.07 -0.98 118.70 118.32 1lqp s GLU 41 Ca 0.17 -0.28 -0.03 0.00 0.36 0.00 0.00 54.97 55.19 1lqp s GLU 41 Cb 0.01 -0.64 0.06 0.00 0.26 0.00 0.00 34.13 33.82 1lqp s GLU 41 CO 0.02 0.17 0.04 -1.17 -0.54 0.00 0.00 175.26 173.78 1lqp s LEU 42 N -0.15 1.15 0.00 2.70 2.96 -0.60 -1.15 118.68 123.59 1lqp s LEU 42 Ca 0.03 -0.85 0.00 0.00 -0.22 0.00 0.00 54.13 53.08 1lqp s LEU 42 Cb -0.04 -0.58 0.00 0.00 0.50 0.00 0.00 46.19 46.08 1lqp s LEU 42 CO -0.00 -0.32 0.00 0.61 -1.32 0.00 0.00 176.35 175.32 1lqp n GLY 43 N 5.06 3.78 0.37 7.98 0.00 -1.26 -0.87 105.19 120.25 1lqp n GLY 43 Ca -0.08 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.03 1lqp n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1lqp n SER 44 N 5.85 1.35 -4.69 1.61 3.41 -1.26 -4.91 113.62 114.98 1lqp n SER 44 Ca 0.00 -1.17 -0.42 0.00 -0.26 0.00 0.00 58.87 57.02 1lqp n SER 44 Cb 0.00 0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 1lqp n SER 44 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1lqp s LEU 45 N -2.34 4.29 -0.37 1.04 2.96 -0.05 -5.00 118.68 119.21 1lqp s LEU 45 Ca 0.28 1.88 -0.18 0.00 -0.22 0.00 0.00 54.13 55.89 1lqp s LEU 45 Cb 0.20 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.33 1lqp s LEU 45 CO 0.47 -0.61 0.50 0.86 -1.32 0.00 0.00 176.35 176.24 1lqp s TRP 46 N 2.23 3.17 -0.18 5.38 -0.00 -1.26 -1.55 118.94 126.72 1lqp s TRP 46 Ca 0.58 0.06 -0.08 0.00 -0.00 0.00 0.00 56.10 56.66 1lqp s TRP 46 Cb -0.26 -2.93 -0.04 0.00 -0.00 0.00 0.00 33.47 30.24 1lqp s TRP 46 CO 0.23 -0.58 0.07 -1.17 -0.00 0.00 0.00 176.95 175.50 1lqp s LEU 47 N 2.36 3.84 -0.12 5.86 2.96 -0.15 -1.38 118.68 132.05 1lqp s LEU 47 Ca 0.17 0.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.18 1lqp s LEU 47 Cb -0.16 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 1lqp s LEU 47 CO 0.14 0.18 -0.13 0.00 -1.32 0.00 0.00 176.35 175.21 1lqp s LEU 49 N 0.15 4.02 -0.22 0.00 1.43 -0.18 -0.89 118.68 122.99 1lqp s LEU 49 Ca -0.07 -0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 52.63 1lqp s LEU 49 Cb -0.15 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 1lqp s LEU 49 CO 0.05 -0.14 0.01 -0.44 0.23 0.00 0.00 176.35 176.05 1lqp s SER 50 N 1.66 4.72 0.07 2.29 0.01 -0.33 -1.54 113.70 120.57 1lqp s SER 50 Ca 0.06 -0.28 -0.31 0.00 1.31 0.00 0.00 55.95 56.73 1lqp s SER 50 Cb -0.17 -1.82 -0.08 0.00 0.21 0.00 0.00 66.02 64.17 1lqp s SER 50 CO 0.07 -0.00 1.48 -0.60 0.41 0.00 0.00 173.24 174.60 1lqp s ARG 51 N 1.39 4.26 -0.43 12.44 3.52 -0.43 -1.03 118.95 138.68 1lqp s ARG 51 Ca 0.05 2.14 0.04 0.00 -0.13 0.00 0.00 55.73 57.83 1lqp s ARG 51 Cb -0.15 -3.43 0.17 0.00 -1.56 0.00 0.00 34.95 29.99 1lqp s ARG 51 CO 0.00 -0.58 0.42 -2.00 -0.81 0.00 0.00 175.30 172.34 1lqp s GLU 52 N 1.91 0.89 0.61 5.12 2.12 0.73 -4.86 118.70 125.21 1lqp s GLU 52 Ca 0.67 -1.69 0.36 0.00 0.36 0.00 0.00 54.97 54.67 1lqp s GLU 52 Cb -0.37 -1.02 1.96 0.00 0.26 0.00 0.00 34.13 34.97 1lqp s GLU 52 CO 0.30 -1.34 2.25 -1.35 -0.54 0.00 0.00 175.26 174.57 1lqp h PRO 53 N 5.73 0.00 -0.03 4.30 0.11 -1.76 -0.63 132.00 139.73 1lqp h PRO 53 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1lqp h PRO 53 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1lqp h PRO 53 CO 0.26 0.02 0.00 1.04 -0.21 0.00 0.00 178.00 179.12 1lqp n GLN 54 N -3.43 1.49 -1.99 1.05 1.13 -1.26 -4.82 117.38 109.55 1lqp n GLN 54 Ca -0.02 -0.72 -0.42 0.00 -1.94 0.00 0.00 57.00 53.90 1lqp n GLN 54 Cb 0.13 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 28.98 1lqp n GLN 54 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1lqp s TYR 55 N -1.98 3.09 -1.34 1.08 5.04 -0.24 -4.91 117.35 118.10 1lqp s TYR 55 Ca 0.39 0.75 0.17 0.00 -2.44 0.00 0.00 57.07 55.94 1lqp s TYR 55 Cb 0.20 -3.86 0.51 0.00 0.35 0.00 0.00 41.96 39.16 1lqp s TYR 55 CO 0.33 -3.10 1.43 0.41 -1.34 0.00 0.00 175.55 173.28 1lqp n GLY 56 N 3.45 2.73 0.00 8.97 0.00 -1.26 -4.64 105.19 114.44 1lqp n GLY 56 Ca 0.12 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1lqp n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lqp n GLY 57 N 1.00 -0.02 3.84 -0.02 0.00 -1.26 -4.99 105.19 103.74 1lqp n GLY 57 Ca 0.19 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 1lqp n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1lqp s PRO 58 N -2.18 2.53 0.68 1.61 0.04 -1.26 -5.03 135.00 131.38 1lqp s PRO 58 Ca 0.00 0.59 -0.17 0.00 0.04 0.00 0.00 61.00 61.46 1lqp s PRO 58 Cb 0.00 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1lqp s PRO 58 CO 0.00 -1.30 0.62 0.00 0.04 0.00 0.00 177.00 176.36 1lqp n ALA 59 N -3.20 -1.13 -2.59 8.56 0.00 -1.26 -4.95 120.51 115.93 1lqp n ALA 59 Ca 0.07 -0.17 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 1lqp n ALA 59 Cb 0.56 -1.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.09 1lqp n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lqp s ALA 60 N -1.82 3.12 0.30 0.00 0.00 -1.26 -4.96 121.76 117.13 1lqp s ALA 60 Ca 0.68 -0.64 -0.12 0.00 0.00 0.00 0.00 51.96 51.88 1lqp s ALA 60 Cb -0.37 -3.90 0.05 0.00 0.00 0.00 0.00 23.12 18.89 1lqp s ALA 60 CO 0.55 -2.36 0.63 -0.40 0.00 0.00 0.00 175.76 174.18 1lqp n ASP 61 N 7.93 -1.76 -0.04 0.00 5.68 -1.26 -5.06 116.55 122.05 1lqp n ASP 61 Ca 0.10 -2.20 0.14 0.00 -0.50 0.00 0.00 54.79 52.33 1lqp n ASP 61 Cb 0.49 2.92 0.66 0.00 -1.14 0.00 0.00 41.12 44.05 1lqp n ASP 61 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1lqp n TYR 62 N -0.42 0.00 -1.74 2.11 4.01 -1.26 -4.90 117.16 114.95 1lqp n TYR 62 Ca -0.07 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.25 1lqp n TYR 62 Cb 0.46 -0.28 -0.03 0.00 -0.31 0.00 0.00 39.34 39.18 1lqp n TYR 62 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1lqp s THR 63 N -2.63 2.14 0.22 -0.72 2.01 -1.26 -4.96 115.64 110.44 1lqp s THR 63 Ca 0.26 0.05 -0.20 0.00 0.31 0.00 0.00 61.69 62.11 1lqp s THR 63 Cb 0.20 -3.03 0.04 0.00 0.01 0.00 0.00 72.50 69.71 1lqp s THR 63 CO 0.49 0.00 0.61 -1.38 -0.69 0.00 0.00 174.62 173.65 1lqp s HIS 64 N 1.42 -0.23 -0.15 4.92 -3.43 -1.26 -4.54 115.29 112.01 1lqp s HIS 64 Ca 0.75 -0.11 0.00 0.00 -0.80 0.00 0.00 55.06 54.90 1lqp s HIS 64 Cb -0.49 0.53 0.03 0.00 -1.43 0.00 0.00 32.58 31.22 1lqp s HIS 64 CO 0.33 -1.01 -0.13 0.71 -2.00 0.00 0.00 174.74 172.64 1lqp s TYR 65 N -3.86 2.16 -0.10 0.38 1.51 -0.44 -5.02 117.35 111.98 1lqp s TYR 65 Ca 0.08 -1.24 -0.01 0.00 -1.01 0.00 0.00 57.07 54.89 1lqp s TYR 65 Cb -0.03 -1.58 -0.03 0.00 -0.11 0.00 0.00 41.96 40.22 1lqp s TYR 65 CO -0.02 -0.67 -0.05 0.00 -1.11 0.00 0.00 175.55 173.70 1lqp s ALA 66 N 1.49 3.01 0.02 3.71 0.00 -1.26 -1.34 121.76 127.39 1lqp s ALA 66 Ca 0.04 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.18 1lqp s ALA 66 Cb -0.13 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 1lqp s ALA 66 CO -0.10 0.44 -0.02 -0.06 0.00 0.00 0.00 175.76 176.01 1lqp s PHE 67 N -0.36 2.99 0.52 0.00 0.40 0.42 -4.94 117.98 117.01 1lqp s PHE 67 Ca 0.06 0.02 -0.16 0.00 -0.60 0.00 0.00 56.93 56.24 1lqp s PHE 67 Cb -0.12 -1.62 -0.07 0.00 0.51 0.00 0.00 43.02 41.72 1lqp s PHE 67 CO 0.02 0.44 0.99 0.20 0.70 0.00 0.00 175.22 177.57 1lqp s GLY 68 N -1.71 2.03 -0.03 4.36 0.00 -1.26 -1.18 107.32 109.54 1lqp s GLY 68 Ca 0.20 0.16 -0.19 0.00 0.00 0.00 0.00 44.72 44.90 1lqp s GLY 68 CO 0.11 0.44 0.40 -1.50 0.00 0.00 0.00 173.10 172.55 1lqp s ILE 69 N -2.67 0.04 0.44 0.90 2.07 -0.83 -4.79 121.20 116.37 1lqp s ILE 69 Ca 0.59 -0.34 -0.22 0.00 -1.41 0.00 0.00 60.65 59.26 1lqp s ILE 69 Cb -0.10 -0.70 -0.09 0.00 0.13 0.00 0.00 42.46 41.70 1lqp s ILE 69 CO 0.33 -0.19 1.05 0.00 -1.91 0.00 0.00 174.94 174.23 1lqp s ALA 70 N -1.21 2.98 0.26 1.50 0.00 -1.26 -4.17 121.76 119.85 1lqp s ALA 70 Ca -0.12 0.67 -0.02 0.00 0.00 0.00 0.00 51.96 52.49 1lqp s ALA 70 Cb -0.04 -3.27 0.55 0.00 0.00 0.00 0.00 23.12 20.36 1lqp s ALA 70 CO 0.05 -0.28 1.69 0.00 0.00 0.00 0.00 175.76 177.22 1lqp h ALA 71 N 2.04 1.11 0.00 0.00 0.00 -1.97 -0.59 119.26 119.85 1lqp h ALA 71 Ca -0.49 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1lqp h ALA 71 Cb 1.22 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1lqp h ALA 71 CO 0.61 -0.33 -0.02 0.00 0.00 0.00 0.00 179.25 179.51 1lqp h ALA 72 N 1.64 1.02 0.00 0.00 0.00 -2.05 -2.91 119.26 116.96 1lqp h ALA 72 Ca 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1lqp h ALA 72 Cb 0.81 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1lqp h ALA 72 CO -0.51 0.03 -1.15 -0.25 0.00 0.00 0.00 179.25 177.37 1lqp n ASP 73 N -3.15 0.83 0.20 0.00 8.00 -0.26 -4.64 116.55 117.53 1lqp n ASP 73 Ca -0.00 -0.82 -0.15 0.00 0.71 0.00 0.00 54.79 54.52 1lqp n ASP 73 Cb 0.26 1.14 -0.07 0.00 -0.02 0.00 0.00 41.12 42.42 1lqp n ASP 73 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1lqp h PHE 74 N 0.00 -1.00 -0.85 1.24 3.57 -1.27 -1.91 116.94 116.73 1lqp h PHE 74 Ca 0.00 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 1lqp h PHE 74 Cb 0.58 0.40 -0.04 0.00 2.79 0.00 0.00 35.95 39.68 1lqp h PHE 74 CO 0.00 -0.50 0.42 0.00 -2.23 0.00 0.00 178.31 176.00 1lqp h ALA 75 N -0.24 1.14 -0.57 2.41 0.00 -1.82 -0.92 119.26 119.25 1lqp h ALA 75 Ca -0.01 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1lqp h ALA 75 Cb 0.67 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1lqp h ALA 75 CO -0.11 0.66 0.06 0.07 0.00 0.00 0.00 179.25 179.93 1lqp h ARG 76 N 1.20 0.94 0.08 0.00 0.11 -1.82 -1.17 114.38 113.72 1lqp h ARG 76 Ca 0.29 -0.25 -0.00 0.00 0.10 0.00 0.00 59.98 60.12 1lqp h ARG 76 Cb 0.10 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.06 1lqp h ARG 76 CO -0.04 0.90 -0.04 0.35 0.10 0.00 0.00 179.97 181.24 1lqp h PHE 77 N 0.89 -0.10 -0.61 4.08 3.57 -0.74 -0.01 116.94 124.01 1lqp h PHE 77 Ca 0.18 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.71 1lqp h PHE 77 Cb 0.43 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 1lqp h PHE 77 CO 0.03 0.08 0.36 0.00 -2.23 0.00 0.00 178.31 176.55 1lqp h ALA 78 N 0.63 0.79 -0.73 2.41 0.00 -1.06 -1.42 119.26 119.88 1lqp h ALA 78 Ca -0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1lqp h ALA 78 Cb 0.23 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1lqp h ALA 78 CO 0.02 0.08 0.22 0.00 0.00 0.00 0.00 179.25 179.56 1lqp h ALA 79 N 1.28 0.96 -0.09 0.00 0.00 -1.11 -1.09 119.26 119.22 1lqp h ALA 79 Ca 0.25 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1lqp h ALA 79 Cb 0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1lqp h ALA 79 CO -0.12 0.65 -0.01 0.37 0.00 0.00 0.00 179.25 180.14 1lqp h GLN 80 N 1.09 0.01 -0.24 0.00 4.15 -0.50 -0.31 115.11 119.31 1lqp h GLN 80 Ca 0.23 -0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.47 1lqp h GLN 80 Cb 0.32 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 1lqp h GLN 80 CO -0.01 0.01 -0.57 -0.07 -1.93 0.00 0.00 178.83 176.27 1lqp h LEU 81 N 0.01 0.84 -0.68 -2.39 4.07 -1.16 -1.32 115.31 114.69 1lqp h LEU 81 Ca 0.04 -0.46 0.03 0.00 0.08 0.00 0.00 57.88 57.58 1lqp h LEU 81 Cb 0.06 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 41.51 1lqp h LEU 81 CO -0.08 1.22 0.42 0.03 -1.08 0.00 0.00 178.44 178.96 1lqp h ARG 82 N 0.57 0.80 0.00 1.13 3.08 -1.12 -1.87 114.38 116.97 1lqp h ARG 82 Ca 0.01 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1lqp h ARG 82 Cb 1.15 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 31.02 1lqp h ARG 82 CO 0.12 0.53 -0.13 0.00 -1.07 0.00 0.00 179.97 179.42 1lqp h ALA 83 N 1.29 1.37 0.00 0.04 0.00 -0.77 -1.64 119.26 119.56 1lqp h ALA 83 Ca 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1lqp h ALA 83 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1lqp h ALA 83 CO -0.11 0.16 -0.09 1.58 0.00 0.00 0.00 179.25 180.80 1lqp n HIS 84 N -3.78 0.55 -0.42 0.00 -0.00 -0.52 -4.93 115.22 106.12 1lqp n HIS 84 Ca -0.02 0.16 0.00 0.00 -0.00 0.00 0.00 57.72 57.86 1lqp n HIS 84 Cb 0.24 -0.74 0.00 0.00 -0.00 0.00 0.00 29.99 29.49 1lqp n HIS 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1lqp n GLY 85 N 1.38 0.80 3.77 1.57 0.00 -0.62 -5.06 105.19 107.03 1lqp n GLY 85 Ca 0.06 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 1lqp n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lqp s VAL 86 N -2.00 3.02 0.02 1.61 1.01 -0.80 -4.99 120.40 118.27 1lqp s VAL 86 Ca 0.00 0.99 -0.22 0.00 0.00 0.00 0.00 61.98 62.76 1lqp s VAL 86 Cb 0.00 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 1lqp s VAL 86 CO 0.00 0.21 0.64 -0.60 0.00 0.00 0.00 175.10 175.35 1lqp s ARG 87 N -1.79 4.36 0.14 2.72 3.52 -1.26 -4.71 118.95 121.93 1lqp s ARG 87 Ca 0.49 0.83 -0.05 0.00 -0.13 0.00 0.00 55.73 56.87 1lqp s ARG 87 Cb -0.36 -3.33 -0.06 0.00 -1.56 0.00 0.00 34.95 29.64 1lqp s ARG 87 CO 0.47 0.38 0.37 -1.21 -0.81 0.00 0.00 175.30 174.50 1lqp s GLU 88 N -0.28 3.61 0.00 5.12 2.02 -1.26 -1.32 118.70 126.60 1lqp s GLU 88 Ca 0.33 -0.10 0.00 0.00 0.02 0.00 0.00 54.97 55.22 1lqp s GLU 88 Cb -0.19 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.19 1lqp s GLU 88 CO 0.19 0.47 0.20 -2.67 0.02 0.00 0.00 175.26 173.48 1lqp n TRP 89 N 0.10 0.00 -3.52 1.61 4.27 -0.71 -4.91 117.44 114.28 1lqp n TRP 89 Ca -0.02 0.00 -0.16 0.00 -3.89 0.00 0.00 57.50 53.42 1lqp n TRP 89 Cb 0.52 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.41 1lqp n TRP 89 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 1lqp s LYS 90 N -0.53 1.00 -0.16 -2.67 2.20 -1.26 -5.06 119.74 113.27 1lqp s LYS 90 Ca 0.00 0.19 -0.05 0.00 -0.36 0.00 0.00 55.97 55.75 1lqp s LYS 90 Cb 0.00 0.47 -0.03 0.00 -1.51 0.00 0.00 37.83 36.76 1lqp s LYS 90 CO 0.00 -0.32 0.00 -1.14 -0.36 0.00 0.00 175.35 173.53 1lqp s GLN 91 N -1.37 3.71 0.25 4.03 0.74 -1.26 -4.29 119.66 121.46 1lqp s GLN 91 Ca -0.09 -0.45 -0.30 0.00 0.05 0.00 0.00 55.36 54.57 1lqp s GLN 91 Cb -0.00 -3.00 -0.11 0.00 1.10 0.00 0.00 33.01 31.00 1lqp s GLN 91 CO 0.07 0.30 1.54 1.21 -0.55 0.00 0.00 175.29 177.86 1lqp s ASN 92 N 0.23 6.52 0.00 6.67 2.47 -1.26 -4.90 114.94 124.67 1lqp s ASN 92 Ca 0.00 2.77 0.00 0.00 0.42 0.00 0.00 52.86 56.05 1lqp s ASN 92 Cb -0.13 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.05 1lqp s ASN 92 CO 0.02 -0.82 0.00 0.54 -3.72 0.00 0.00 177.10 173.12 1lqp n ARG 93 N 2.71 4.11 -3.99 0.43 1.74 -1.26 -5.06 116.66 115.33 1lqp n ARG 93 Ca 0.09 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.94 1lqp n ARG 93 Cb 0.39 -0.30 -0.06 0.00 -1.02 0.00 0.00 32.46 31.46 1lqp n ARG 93 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1lqp s SER 94 N -0.60 4.71 0.26 0.55 1.04 -1.26 -5.05 113.70 113.35 1lqp s SER 94 Ca 0.00 -0.84 -0.29 0.00 0.48 0.00 0.00 55.95 55.30 1lqp s SER 94 Cb 0.00 -0.64 -0.14 0.00 0.10 0.00 0.00 66.02 65.34 1lqp s SER 94 CO 0.00 -0.44 1.07 1.21 0.98 0.00 0.00 173.24 176.06 1lqp n GLU 95 N -1.26 1.36 0.00 4.02 0.00 -1.26 -4.69 120.64 118.80 1lqp n GLU 95 Ca -0.01 0.48 0.00 0.00 0.00 0.00 0.00 57.16 57.63 1lqp n GLU 95 Cb 0.62 -1.89 0.00 0.00 0.00 0.00 0.00 31.44 30.17 1lqp n GLU 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1lqp n GLY 96 N 1.45 -2.05 3.61 8.31 0.00 -1.26 -4.92 105.19 110.34 1lqp n GLY 96 Ca 0.11 -1.12 -0.46 0.00 0.00 0.00 0.00 46.02 44.55 1lqp n GLY 96 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lqp n ASP 97 N -0.48 1.76 -3.77 1.61 8.00 -1.25 -4.74 116.55 117.67 1lqp n ASP 97 Ca 0.00 1.16 -0.13 0.00 0.71 0.00 0.00 54.79 56.53 1lqp n ASP 97 Cb 0.00 -1.31 -0.11 0.00 -0.02 0.00 0.00 41.12 39.68 1lqp n ASP 97 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1lqp s SER 98 N -0.15 -0.29 -0.15 -2.24 0.01 -1.26 -0.88 113.70 108.73 1lqp s SER 98 Ca 0.66 0.56 0.01 0.00 1.31 0.00 0.00 55.95 58.48 1lqp s SER 98 Cb -0.73 0.58 0.02 0.00 0.21 0.00 0.00 66.02 66.10 1lqp s SER 98 CO 0.55 -0.12 -0.16 0.12 0.41 0.00 0.00 173.24 174.04 1lqp s PHE 99 N 0.09 2.34 -0.33 2.43 5.36 -0.34 -4.45 117.98 123.07 1lqp s PHE 99 Ca -0.01 -1.32 -0.04 0.00 -0.96 0.00 0.00 56.93 54.60 1lqp s PHE 99 Cb -0.02 -1.68 0.05 0.00 -0.34 0.00 0.00 43.02 41.03 1lqp s PHE 99 CO 0.01 -0.70 0.08 0.71 -1.46 0.00 0.00 175.22 173.85 1lqp s TYR 100 N 1.39 3.29 0.10 10.12 1.51 -1.26 -0.99 117.35 131.51 1lqp s TYR 100 Ca 0.04 -1.71 0.03 0.00 -1.01 0.00 0.00 57.07 54.42 1lqp s TYR 100 Cb -0.13 -2.32 -0.04 0.00 -0.11 0.00 0.00 41.96 39.36 1lqp s TYR 100 CO -0.11 -0.79 -0.08 -0.59 -1.11 0.00 0.00 175.55 172.88 1lqp s PHE 101 N 1.32 0.95 -0.05 2.71 -0.12 -0.45 -1.74 117.98 120.60 1lqp s PHE 101 Ca -0.02 -0.77 -0.04 0.00 -0.05 0.00 0.00 56.93 56.04 1lqp s PHE 101 Cb -0.20 -0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 41.62 1lqp s PHE 101 CO 0.01 -0.08 0.16 -0.51 -0.05 0.00 0.00 175.22 174.75 1lqp s LEU 102 N -2.71 4.34 0.84 -1.99 1.43 -0.43 -0.54 118.68 119.61 1lqp s LEU 102 Ca 0.08 0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 53.46 1lqp s LEU 102 Cb 0.01 -2.40 0.15 0.00 0.03 0.00 0.00 46.19 43.98 1lqp s LEU 102 CO -0.02 0.32 1.16 1.51 0.23 0.00 0.00 176.35 179.54 1lqp s ASP 103 N -1.60 3.82 0.60 2.29 -4.77 -0.52 -4.63 116.67 111.86 1lqp s ASP 103 Ca 0.23 0.06 0.31 0.00 -3.30 0.00 0.00 52.55 49.84 1lqp s ASP 103 Cb -0.12 -0.31 1.78 0.00 -1.09 0.00 0.00 42.92 43.17 1lqp s ASP 103 CO 0.13 -2.25 2.16 -0.65 0.70 0.00 0.00 175.17 175.26 1lqp h PRO 104 N -1.08 0.00 -0.00 2.11 0.11 -1.94 -0.87 132.00 130.32 1lqp h PRO 104 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1lqp h PRO 104 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1lqp h PRO 104 CO 0.42 0.00 -0.70 -0.25 -0.21 0.00 0.00 178.00 177.27 1lqp n ASP 105 N -3.70 0.86 0.00 -2.05 8.00 -1.26 -4.95 116.55 113.45 1lqp n ASP 105 Ca -0.00 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.79 1lqp n ASP 105 Cb 0.24 0.58 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 1lqp n ASP 105 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lqp n GLY 106 N 1.48 0.88 3.75 0.44 0.00 -0.33 -4.01 105.19 107.40 1lqp n GLY 106 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1lqp n GLY 106 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1lqp n HIS 107 N -2.22 2.79 -3.07 1.61 8.25 -1.26 -4.63 115.22 116.70 1lqp n HIS 107 Ca 0.00 0.38 -0.41 0.00 -0.26 0.00 0.00 57.72 57.42 1lqp n HIS 107 Cb 0.00 -2.54 -0.06 0.00 1.12 0.00 0.00 29.99 28.51 1lqp n HIS 107 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1lqp s ARG 108 N -1.29 3.87 0.35 -0.41 0.52 -1.26 -1.43 118.95 119.29 1lqp s ARG 108 Ca 0.59 0.32 0.08 0.00 -0.52 0.00 0.00 55.73 56.20 1lqp s ARG 108 Cb -0.51 -3.75 -0.05 0.00 0.52 0.00 0.00 34.95 31.17 1lqp s ARG 108 CO 0.56 -0.64 0.10 -0.51 0.02 0.00 0.00 175.30 174.83 1lqp s LEU 109 N 2.72 3.14 -0.07 2.53 1.43 0.30 -1.33 118.68 127.40 1lqp s LEU 109 Ca 0.27 -0.89 -0.11 0.00 -1.03 0.00 0.00 54.13 52.37 1lqp s LEU 109 Cb -0.15 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.54 1lqp s LEU 109 CO 0.13 -0.30 0.28 -0.70 0.23 0.00 0.00 176.35 175.98 1lqp s GLU 110 N -3.80 0.45 -0.18 1.70 2.12 -0.45 -1.35 118.70 117.19 1lqp s GLU 110 Ca 0.37 0.14 -0.03 0.00 0.36 0.00 0.00 54.97 55.81 1lqp s GLU 110 Cb -0.01 0.21 -0.02 0.00 0.26 0.00 0.00 34.13 34.57 1lqp s GLU 110 CO 0.21 -0.09 -0.06 0.00 -0.54 0.00 0.00 175.26 174.78 1lqp s ALA 111 N -0.45 2.83 -0.02 6.30 0.00 -0.16 -0.44 121.76 129.83 1lqp s ALA 111 Ca -0.06 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 50.93 1lqp s ALA 111 Cb -0.04 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.53 1lqp s ALA 111 CO 0.02 -0.07 -0.07 -1.58 0.00 0.00 0.00 175.76 174.05 1lqp s HIS 112 N 0.87 0.73 -0.32 0.00 5.04 -0.32 -1.20 115.29 120.10 1lqp s HIS 112 Ca -0.01 -0.16 -0.13 0.00 -1.54 0.00 0.00 55.06 53.22 1lqp s HIS 112 Cb -0.15 -0.52 -0.03 0.00 0.04 0.00 0.00 32.58 31.93 1lqp s HIS 112 CO 0.01 -0.06 0.28 0.08 -2.34 0.00 0.00 174.74 172.71 1lqp s VAL 113 N 0.10 5.25 0.00 0.89 1.01 -0.06 -1.96 120.40 125.63 1lqp s VAL 113 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1lqp s VAL 113 Cb -0.06 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1lqp s VAL 113 CO -0.00 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.77 1lqp n GLY 114 N 5.00 1.51 0.56 4.51 0.00 -1.26 -3.87 105.19 111.64 1lqp n GLY 114 Ca -0.12 -2.06 -0.02 0.00 0.00 0.00 0.00 46.02 43.82 1lqp n GLY 114 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1lqp n ASP 115 N 0.00 -0.25 -0.30 1.61 3.85 -1.26 -4.95 116.55 115.25 1lqp n ASP 115 Ca 0.00 -1.30 -0.05 0.00 -0.71 0.00 0.00 54.79 52.73 1lqp n ASP 115 Cb 0.00 0.45 0.07 0.00 -1.35 0.00 0.00 41.12 40.29 1lqp n ASP 115 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 1lqp h LEU 116 N 0.00 1.04 -0.72 -2.12 5.85 -2.01 -1.22 115.31 116.13 1lqp h LEU 116 Ca -0.05 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.49 1lqp h LEU 116 Cb 0.20 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1lqp h LEU 116 CO 0.06 0.86 0.19 0.03 -0.34 0.00 0.00 178.44 179.24 1lqp h ARG 117 N 1.15 1.14 -0.26 1.25 2.47 -1.99 0.13 114.38 118.27 1lqp h ARG 117 Ca 0.28 -0.27 -0.14 0.00 -1.26 0.00 0.00 59.98 58.60 1lqp h ARG 117 Cb 0.07 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.23 1lqp h ARG 117 CO -0.04 1.00 -0.41 0.66 0.56 0.00 0.00 179.97 181.73 1lqp h SER 118 N 1.08 0.68 -0.13 7.04 4.64 -1.88 -0.74 113.55 124.24 1lqp h SER 118 Ca 0.23 -0.31 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 1lqp h SER 118 Cb 0.36 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1lqp h SER 118 CO -0.00 1.01 0.05 -0.09 -0.87 0.00 0.00 176.83 176.93 1lqp h ARG 119 N 0.52 0.20 -0.60 4.77 9.65 -0.89 -1.15 114.38 126.88 1lqp h ARG 119 Ca 0.04 -0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 58.83 1lqp h ARG 119 Cb 0.94 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.46 1lqp h ARG 119 CO 0.08 0.31 0.14 -0.07 2.80 0.00 0.00 179.97 183.23 1lqp h LEU 120 N 0.04 0.88 -0.60 3.80 3.38 -0.57 -0.48 115.31 121.77 1lqp h LEU 120 Ca 0.04 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1lqp h LEU 120 Cb 0.19 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1lqp h LEU 120 CO -0.00 0.86 0.19 0.00 0.09 0.00 0.00 178.44 179.58 1lqp h ALA 121 N 1.25 0.78 -0.63 1.53 0.00 -1.02 0.60 119.26 121.77 1lqp h ALA 121 Ca 0.19 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1lqp h ALA 121 Cb 0.33 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1lqp h ALA 121 CO 0.00 0.45 0.05 0.00 0.00 0.00 0.00 179.25 179.75 1lqp h ALA 122 N 1.06 0.85 -0.70 0.00 0.00 -0.93 -2.25 119.26 117.28 1lqp h ALA 122 Ca 0.19 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1lqp h ALA 122 Cb 0.28 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1lqp h ALA 122 CO -0.01 0.65 0.20 0.00 0.00 0.00 0.00 179.25 180.09 1lqp h ARG 124 N 1.04 0.78 0.00 0.00 3.08 -0.63 0.11 114.38 118.76 1lqp h ARG 124 Ca 0.22 -0.09 -0.17 0.00 0.07 0.00 0.00 59.98 60.01 1lqp h ARG 124 Cb 0.33 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1lqp h ARG 124 CO -0.00 0.61 -0.80 1.96 -1.07 0.00 0.00 179.97 180.66 1lqp h GLN 125 N 0.79 0.00 -2.03 0.04 1.08 -0.97 -3.39 115.11 110.63 1lqp h GLN 125 Ca 0.20 0.00 -0.48 0.00 -1.45 0.00 0.00 58.65 56.92 1lqp h GLN 125 Cb 0.08 0.00 -0.33 0.00 -0.05 0.00 0.00 27.48 27.18 1lqp h GLN 125 CO -0.03 0.80 -0.85 0.00 -0.95 0.00 0.00 178.83 177.81 1lqp s ALA 126 N -3.17 0.47 0.44 3.87 0.00 -0.38 -5.11 121.76 117.88 1lqp s ALA 126 Ca -0.00 -1.89 -0.25 0.00 0.00 0.00 0.00 51.96 49.82 1lqp s ALA 126 Cb 0.11 -1.88 -0.08 0.00 0.00 0.00 0.00 23.12 21.28 1lqp s ALA 126 CO 0.79 -2.05 1.32 -2.14 0.00 0.00 0.00 175.76 173.68 1lqp s PRO 127 N 0.35 3.78 0.97 0.00 0.02 0.35 -4.41 135.00 136.06 1lqp s PRO 127 Ca 0.31 2.17 -0.11 0.00 0.02 0.00 0.00 61.00 63.38 1lqp s PRO 127 Cb 0.01 -2.63 0.17 0.00 0.02 0.00 0.00 34.50 32.07 1lqp s PRO 127 CO -0.15 -0.65 1.09 0.71 -0.33 0.00 0.00 177.00 177.67 1lqp s TYR 128 N -1.29 1.91 0.16 6.54 4.12 -1.26 -4.90 117.35 122.64 1lqp s TYR 128 Ca 0.60 1.37 -0.32 0.00 0.02 0.00 0.00 57.07 58.75 1lqp s TYR 128 Cb -0.38 -3.18 -0.11 0.00 -1.52 0.00 0.00 41.96 36.77 1lqp s TYR 128 CO 0.48 -2.86 1.66 0.00 0.02 0.00 0.00 175.55 174.86 1lqp s ALA 129 N -2.75 3.82 -0.35 3.71 0.00 -1.26 -1.27 121.76 123.67 1lqp s ALA 129 Ca 0.65 1.44 0.00 0.00 0.00 0.00 0.00 51.96 54.05 1lqp s ALA 129 Cb -0.21 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.24 1lqp s ALA 129 CO 0.59 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1lqp n GLY 130 N 3.92 0.57 3.74 0.00 0.00 -1.26 -4.95 105.19 107.21 1lqp n GLY 130 Ca 0.15 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1lqp n GLY 130 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1lqp s MET 131 N -1.55 4.52 -0.02 1.61 0.00 -0.39 -5.02 119.30 118.46 1lqp s MET 131 Ca 0.00 1.83 0.04 0.00 0.00 0.00 0.00 55.69 57.57 1lqp s MET 131 Cb 0.00 -3.25 -0.01 0.00 0.00 0.00 0.00 34.83 31.57 1lqp s MET 131 CO 0.00 -0.04 -0.15 1.03 0.00 0.00 0.00 175.02 175.86 1lqp s ARG 132 N -0.30 1.25 -0.00 4.11 0.52 -1.26 -4.95 118.95 118.31 1lqp s ARG 132 Ca 0.52 -0.52 0.05 0.00 -0.52 0.00 0.00 55.73 55.25 1lqp s ARG 132 Cb -0.32 -1.18 -0.03 0.00 0.52 0.00 0.00 34.95 33.94 1lqp s ARG 132 CO 0.36 0.29 -0.12 -0.06 0.02 0.00 0.00 175.30 175.79 1lqp s PHE 133 N -0.26 2.73 0.00 -0.53 0.40 -1.26 -5.19 117.98 113.87 1lqp s PHE 133 Ca 0.04 -0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.23 1lqp s PHE 133 Cb -0.07 -1.57 0.00 0.00 0.51 0.00 0.00 43.02 41.89 1lqp s PHE 133 CO -0.00 0.28 0.00 0.00 0.70 0.00 0.00 175.22 176.20