#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 3.73 -0.00 -0.89 1.43 -1.26 -4.99 118.68 116.70 1lqp s LEU 2 Ca 0.00 2.00 0.07 0.00 -1.03 0.00 0.00 54.13 55.17 1lqp s LEU 2 Cb 0.00 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 41.57 1lqp s LEU 2 CO 0.00 -1.04 0.28 0.35 0.23 0.00 0.00 176.35 176.18 1lqp n THR 3 N -1.33 0.00 -1.85 5.49 -2.24 -1.26 -5.11 114.28 107.98 1lqp n THR 3 Ca 0.10 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1lqp n THR 3 Cb 0.52 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 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 1.36 -0.00 3.69 3.38 0.00 -1.26 -5.07 105.19 107.29 1lqp n GLY 4 Ca 0.01 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 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 4.26 -0.18 0.99 2.96 -1.26 -4.95 118.68 120.49 1lqp s LEU 5 Ca 0.00 1.48 -0.18 0.00 -0.22 0.00 0.00 54.13 55.21 1lqp s LEU 5 Cb 0.00 -3.49 -0.21 0.00 0.50 0.00 0.00 46.19 42.99 1lqp s LEU 5 CO 0.00 -0.40 0.26 -1.13 -1.32 0.00 0.00 176.35 173.76 1lqp h ASN 6 N 7.07 0.11 -5.00 3.68 -0.73 -1.97 -3.48 115.58 115.26 1lqp h ASN 6 Ca -0.33 -0.62 -0.02 0.00 1.87 0.00 0.00 56.30 57.20 1lqp h ASN 6 Cb 1.16 -0.04 -0.13 0.00 0.27 0.00 0.00 38.32 39.58 1lqp h ASN 6 CO 0.83 1.59 0.21 -1.38 -0.37 0.00 0.00 177.43 178.31 1lqp s HIS 7 N -2.42 -0.55 -0.18 0.67 -3.43 -1.26 -4.45 115.29 103.67 1lqp s HIS 7 Ca -0.27 0.41 -0.02 0.00 -0.80 0.00 0.00 55.06 54.37 1lqp s HIS 7 Cb 0.06 0.54 -0.01 0.00 -1.43 0.00 0.00 32.58 31.74 1lqp s HIS 7 CO 0.64 -0.83 -0.08 -1.17 -2.00 0.00 0.00 174.74 171.31 1lqp s LEU 8 N -2.59 2.86 -0.16 5.38 2.96 -0.39 -5.03 118.68 121.71 1lqp s LEU 8 Ca -0.00 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 53.56 1lqp s LEU 8 Cb -0.01 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 1lqp s LEU 8 CO -0.11 0.06 -0.13 -0.89 -1.32 0.00 0.00 176.35 173.97 1lqp s THR 9 N 0.97 2.88 -0.14 3.68 2.01 -1.26 -0.75 115.64 123.03 1lqp s THR 9 Ca -0.01 -0.70 -0.01 0.00 0.31 0.00 0.00 61.69 61.28 1lqp s THR 9 Cb -0.15 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 1lqp s THR 9 CO -0.00 0.50 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.58 1lqp s LEU 10 N 0.81 2.92 0.18 4.42 1.43 -0.17 -4.98 118.68 123.30 1lqp s LEU 10 Ca -0.04 -0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 52.50 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 0.00 0.17 1.35 0.00 0.23 0.00 0.00 176.35 178.11 1lqp s ALA 11 N 0.32 3.56 -0.04 4.21 0.00 -1.26 -0.98 121.76 127.57 1lqp s ALA 11 Ca -0.08 1.14 0.01 0.00 0.00 0.00 0.00 51.96 53.04 1lqp s ALA 11 Cb -0.15 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.48 1lqp s ALA 11 CO 0.05 -0.59 -0.05 0.14 0.00 0.00 0.00 175.76 175.32 1lqp s VAL 12 N 0.35 0.52 0.19 0.00 -7.23 -0.15 -4.89 120.40 109.18 1lqp s VAL 12 Ca 0.59 -0.13 0.04 0.00 -1.81 0.00 0.00 61.98 60.67 1lqp s VAL 12 Cb -0.37 -0.54 -0.12 0.00 0.56 0.00 0.00 36.38 35.91 1lqp s VAL 12 CO 0.37 0.21 1.43 0.00 -0.31 0.00 0.00 175.10 176.80 1lqp h ALA 13 N 7.07 0.62 -3.29 1.32 0.00 -1.83 0.15 119.26 123.30 1lqp h ALA 13 Ca -0.38 -0.68 -0.63 0.00 0.00 0.00 0.00 54.91 53.22 1lqp h ALA 13 Cb 1.15 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 18.46 1lqp h ALA 13 CO 0.48 0.88 -0.71 0.34 0.00 0.00 0.00 179.25 180.25 1lqp s ASP 14 N -6.90 4.17 0.10 0.00 -1.08 -1.26 -4.25 116.67 107.44 1lqp s ASP 14 Ca -0.03 -2.46 -0.19 0.00 -0.52 0.00 0.00 52.55 49.36 1lqp s ASP 14 Cb 0.11 -1.32 -0.07 0.00 -1.46 0.00 0.00 42.92 40.18 1lqp s ASP 14 CO 0.81 -0.31 1.60 0.25 0.52 0.00 0.00 175.17 178.04 1lqp h LEU 15 N 7.10 0.38 -0.96 -1.34 5.85 -1.97 -1.51 115.31 122.87 1lqp h LEU 15 Ca -0.06 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.47 1lqp h LEU 15 Cb 0.95 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.83 1lqp h LEU 15 CO 0.55 0.50 0.63 -0.65 -0.34 0.00 0.00 178.44 179.13 1lqp h PRO 16 N 0.24 1.19 -0.72 5.25 0.11 -1.99 -0.13 132.00 135.96 1lqp h PRO 16 Ca 0.08 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.07 1lqp h PRO 16 Cb 0.26 -0.27 -0.03 0.00 0.11 0.00 0.00 31.00 31.07 1lqp h PRO 16 CO -0.00 0.79 0.24 0.00 -0.21 0.00 0.00 178.00 178.82 1lqp h ALA 17 N 1.38 0.94 -0.25 -0.75 0.00 -1.93 -2.02 119.26 116.63 1lqp h ALA 17 Ca 0.38 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 1lqp h ALA 17 Cb -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1lqp h ALA 17 CO -0.11 0.60 -0.50 0.77 0.00 0.00 0.00 179.25 180.01 1lqp h SER 18 N 1.05 0.75 -0.22 0.00 0.02 -0.91 -0.86 113.55 113.38 1lqp h SER 18 Ca 0.23 -0.38 0.03 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 62.57 1lqp h SER 18 CO -0.01 1.12 0.02 0.40 -1.14 0.00 0.00 176.83 177.21 1lqp h ILE 19 N 0.53 0.87 -0.76 3.27 2.04 -0.85 -1.36 117.51 121.26 1lqp h ILE 19 Ca 0.02 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 1lqp h ILE 19 Cb 1.06 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1lqp h ILE 19 CO 0.10 0.02 0.28 0.00 0.00 0.00 0.00 178.15 178.55 1lqp h ALA 20 N 1.17 1.04 0.17 1.87 0.00 -1.25 0.10 119.26 122.37 1lqp h ALA 20 Ca 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1lqp h ALA 20 Cb 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1lqp h ALA 20 CO -0.15 0.66 -0.08 0.35 0.00 0.00 0.00 179.25 180.03 1lqp h PHE 21 N 1.12 -0.21 -0.41 0.00 3.57 -0.83 0.19 116.94 120.38 1lqp h PHE 21 Ca 0.25 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.64 1lqp h PHE 21 Cb 0.25 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1lqp h PHE 21 CO 0.02 -0.04 -0.16 1.88 -2.23 0.00 0.00 178.31 177.78 1lqp h TYR 22 N -0.33 0.95 0.36 0.41 -1.99 -1.16 -1.58 116.97 113.62 1lqp h TYR 22 Ca -0.02 -0.22 -0.02 0.00 2.00 0.00 0.00 58.73 60.47 1lqp h TYR 22 Cb 0.26 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 38.77 1lqp h TYR 22 CO -0.03 0.98 -0.17 -0.09 -0.00 0.00 0.00 178.16 178.84 1lqp h ARG 23 N 0.64 -0.46 0.13 4.88 2.43 -0.98 -1.12 114.38 119.91 1lqp h ARG 23 Ca 0.10 0.03 -0.33 0.00 -0.81 0.00 0.00 59.98 58.97 1lqp h ARG 23 Cb 0.70 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 1lqp h ARG 23 CO 0.05 -0.15 -1.67 -0.44 -1.51 0.00 0.00 179.97 176.26 1lqp h ASP 24 N -0.93 0.43 0.35 -3.80 3.32 -0.70 -1.90 116.42 113.19 1lqp h ASP 24 Ca -0.05 -0.66 -0.32 0.00 0.02 0.00 0.00 57.03 56.02 1lqp h ASP 24 Cb 0.53 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1lqp h ASP 24 CO 0.08 1.56 -1.69 -0.07 -1.72 0.00 0.00 179.24 177.40 1lqp h LEU 25 N 0.07 0.36 -0.46 1.55 -0.00 -1.35 -3.39 115.31 112.10 1lqp h LEU 25 Ca -0.30 -0.60 0.00 0.00 -0.00 0.00 0.00 57.88 56.99 1lqp h LEU 25 Cb 2.04 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 42.58 1lqp h LEU 25 CO 0.15 1.51 -0.57 0.18 -0.00 0.00 0.00 178.44 179.72 1lqp n LEU 26 N -3.41 1.24 -0.04 1.67 4.32 -0.99 -5.01 117.00 114.78 1lqp n LEU 26 Ca -0.21 -0.63 -0.01 0.00 -0.02 0.00 0.00 56.01 55.14 1lqp n LEU 26 Cb 1.05 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.85 1lqp n LEU 26 CO 0.48 0.26 -0.01 0.61 -1.22 0.00 0.00 177.39 177.51 1lqp n GLY 27 N 1.30 0.45 3.75 -0.72 0.00 -0.72 -4.97 105.19 104.28 1lqp n GLY 27 Ca 0.05 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.01 2.35 -0.16 1.61 0.40 -0.48 -4.93 117.98 114.77 1lqp s PHE 28 Ca 0.00 1.54 -0.17 0.00 -0.60 0.00 0.00 56.93 57.70 1lqp s PHE 28 Cb 0.00 -3.44 -0.04 0.00 0.51 0.00 0.00 43.02 40.06 1lqp s PHE 28 CO 0.00 -2.22 0.45 0.50 0.70 0.00 0.00 175.22 174.66 1lqp s ARG 29 N -3.55 4.27 -0.25 0.44 3.52 0.10 -4.30 118.95 119.17 1lqp s ARG 29 Ca 0.75 0.36 -0.29 0.00 -0.13 0.00 0.00 55.73 56.42 1lqp s ARG 29 Cb -0.29 -3.48 0.01 0.00 -1.56 0.00 0.00 34.95 29.63 1lqp s ARG 29 CO 0.37 0.06 1.13 -1.17 -0.81 0.00 0.00 175.30 174.87 1lqp s LEU 30 N 0.97 4.04 -0.23 -0.88 2.96 -1.26 -1.25 118.68 123.04 1lqp s LEU 30 Ca 0.23 1.33 0.05 0.00 -0.22 0.00 0.00 54.13 55.52 1lqp s LEU 30 Cb -0.15 -3.54 -0.20 0.00 0.50 0.00 0.00 46.19 42.80 1lqp s LEU 30 CO 0.09 -0.80 -0.08 -0.62 -1.32 0.00 0.00 176.35 173.62 1lqp n GLU 31 N 6.66 0.67 -3.56 1.98 -0.58 0.10 -4.99 120.64 120.92 1lqp n GLU 31 Ca 0.13 0.13 -0.15 0.00 -0.42 0.00 0.00 57.16 56.85 1lqp n GLU 31 Cb 0.46 -1.55 -0.05 0.00 -0.57 0.00 0.00 31.44 29.73 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 -2.52 -1.44 -0.01 0.62 0.00 -0.99 -5.00 121.76 112.42 1lqp s ALA 32 Ca -0.27 0.77 -0.03 0.00 0.00 0.00 0.00 51.96 52.43 1lqp s ALA 32 Cb 0.08 0.30 -0.00 0.00 0.00 0.00 0.00 23.12 23.50 1lqp s ALA 32 CO 0.68 -0.48 0.07 0.50 0.00 0.00 0.00 175.76 176.53 1lqp s ARG 33 N -2.14 0.25 0.13 0.00 3.52 -1.26 -0.77 118.95 118.68 1lqp s ARG 33 Ca -0.07 -0.20 0.02 0.00 -0.13 0.00 0.00 55.73 55.35 1lqp s ARG 33 Cb -0.01 0.10 -0.01 0.00 -1.56 0.00 0.00 34.95 33.48 1lqp s ARG 33 CO 0.01 -0.05 0.13 -2.67 -0.81 0.00 0.00 175.30 171.92 1lqp n TRP 34 N 2.26 -0.45 0.27 5.12 2.14 0.02 -4.99 117.44 121.81 1lqp n TRP 34 Ca -0.18 -1.06 0.14 0.00 2.07 0.00 0.00 57.50 58.46 1lqp n TRP 34 Cb 0.57 0.14 0.74 0.00 -0.81 0.00 0.00 31.31 31.95 1lqp n TRP 34 CO 0.00 0.00 0.00 0.38 2.07 0.00 0.00 177.69 180.14 1lqp h ASP 35 N 0.80 0.00 -0.03 -0.67 2.03 -2.03 -3.01 116.42 113.52 1lqp h ASP 35 Ca -0.10 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.20 1lqp h ASP 35 Cb 0.47 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.97 1lqp h ASP 35 CO 0.14 0.11 0.00 0.00 -1.03 0.00 0.00 179.24 178.46 1lqp n GLN 36 N -3.50 2.03 -3.17 4.15 1.13 -1.26 -4.97 117.38 111.79 1lqp n GLN 36 Ca -0.01 -2.20 0.00 0.00 -1.94 0.00 0.00 57.00 52.85 1lqp n GLN 36 Cb 0.25 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.27 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 -0.99 -1.36 3.25 1.08 0.00 -1.14 -1.41 105.19 104.63 1lqp n GLY 37 Ca 0.11 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.67 -0.83 -0.15 4.61 0.00 -0.71 -0.80 121.76 122.20 1lqp s ALA 38 Ca 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.31 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 -0.28 -0.12 0.71 0.00 0.00 0.00 175.76 176.08 1lqp s TYR 39 N -1.40 2.84 0.20 0.00 4.12 0.05 -0.88 117.35 122.29 1lqp s TYR 39 Ca -0.13 -0.78 0.05 0.00 0.02 0.00 0.00 57.07 56.23 1lqp s TYR 39 Cb -0.05 -1.90 -0.05 0.00 -1.52 0.00 0.00 41.96 38.44 1lqp s TYR 39 CO 0.04 -0.32 -0.07 -0.51 0.02 0.00 0.00 175.55 174.70 1lqp s LEU 40 N 0.64 2.42 -0.00 -1.29 1.02 0.17 -0.72 118.68 120.93 1lqp s LEU 40 Ca -0.06 -1.10 0.01 0.00 0.02 0.00 0.00 54.13 53.00 1lqp s LEU 40 Cb -0.15 -0.41 0.00 0.00 0.02 0.00 0.00 46.19 45.65 1lqp s LEU 40 CO 0.03 -0.36 -0.02 -0.70 0.02 0.00 0.00 176.35 175.31 1lqp s GLU 41 N -3.76 0.21 -0.21 1.70 2.12 -0.38 -1.06 118.70 117.31 1lqp s GLU 41 Ca 0.23 -0.07 -0.02 0.00 0.36 0.00 0.00 54.97 55.46 1lqp s GLU 41 Cb 0.03 -0.22 0.06 0.00 0.26 0.00 0.00 34.13 34.27 1lqp s GLU 41 CO 0.05 0.04 0.03 -1.17 -0.54 0.00 0.00 175.26 173.67 1lqp s LEU 42 N 0.03 1.47 0.00 2.70 2.96 -0.61 -0.73 118.68 124.51 1lqp s LEU 42 Ca 0.00 -0.96 0.00 0.00 -0.22 0.00 0.00 54.13 52.96 1lqp s LEU 42 Cb -0.02 -0.70 0.00 0.00 0.50 0.00 0.00 46.19 45.97 1lqp s LEU 42 CO -0.00 -0.31 0.00 0.61 -1.32 0.00 0.00 176.35 175.33 1lqp n GLY 43 N 4.98 2.74 0.13 7.98 0.00 -1.26 -0.96 105.19 118.80 1lqp n GLY 43 Ca -0.09 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 4.96 0.68 -4.68 1.61 3.41 -1.26 -4.91 113.62 113.44 1lqp n SER 44 Ca 0.00 -0.55 -0.42 0.00 -0.26 0.00 0.00 58.87 57.64 1lqp n SER 44 Cb 0.00 0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 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 -2.66 4.26 -0.43 1.04 2.96 -0.13 -4.99 118.68 118.73 1lqp s LEU 45 Ca 0.21 1.84 -0.20 0.00 -0.22 0.00 0.00 54.13 55.76 1lqp s LEU 45 Cb 0.19 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.35 1lqp s LEU 45 CO 0.56 -0.66 0.58 0.86 -1.32 0.00 0.00 176.35 176.36 1lqp s TRP 46 N 2.64 3.10 -0.21 5.38 -0.00 -1.26 -1.57 118.94 127.02 1lqp s TRP 46 Ca 0.57 -0.13 -0.10 0.00 -0.00 0.00 0.00 56.10 56.45 1lqp s TRP 46 Cb -0.25 -3.19 -0.05 0.00 -0.00 0.00 0.00 33.47 29.98 1lqp s TRP 46 CO 0.21 -0.80 0.13 -1.17 -0.00 0.00 0.00 176.95 175.33 1lqp s LEU 47 N 2.60 4.15 -0.12 5.86 2.96 -0.23 -1.26 118.68 132.64 1lqp s LEU 47 Ca 0.19 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.29 1lqp s LEU 47 Cb -0.15 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.44 1lqp s LEU 47 CO 0.17 0.14 -0.14 0.00 -1.32 0.00 0.00 176.35 175.20 1lqp s LEU 49 N 0.23 3.73 -0.24 0.00 1.43 -0.06 -0.99 118.68 122.78 1lqp s LEU 49 Ca -0.09 -0.10 -0.05 0.00 -1.03 0.00 0.00 54.13 52.86 1lqp s LEU 49 Cb -0.15 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 1lqp s LEU 49 CO 0.05 -0.03 0.00 -0.44 0.23 0.00 0.00 176.35 176.17 1lqp s SER 50 N 1.60 4.61 0.11 2.29 0.01 -0.15 -1.75 113.70 120.43 1lqp s SER 50 Ca 0.07 -0.42 -0.31 0.00 1.31 0.00 0.00 55.95 56.60 1lqp s SER 50 Cb -0.15 -1.80 -0.08 0.00 0.21 0.00 0.00 66.02 64.20 1lqp s SER 50 CO 0.07 -0.05 1.38 -0.60 0.41 0.00 0.00 173.24 174.45 1lqp s ARG 51 N 1.51 4.32 -0.45 12.44 3.52 -0.50 -0.98 118.95 138.81 1lqp s ARG 51 Ca 0.05 2.06 0.05 0.00 -0.13 0.00 0.00 55.73 57.77 1lqp s ARG 51 Cb -0.15 -3.27 0.18 0.00 -1.56 0.00 0.00 34.95 30.15 1lqp s ARG 51 CO -0.01 -0.44 0.49 -1.91 -0.81 0.00 0.00 175.30 172.62 1lqp n GLU 52 N 4.01 0.33 0.15 5.12 2.13 0.53 -4.87 120.64 128.04 1lqp n GLU 52 Ca 0.11 -2.75 0.15 0.00 0.66 0.00 0.00 57.16 55.34 1lqp n GLU 52 Cb 0.42 -1.58 0.72 0.00 0.27 0.00 0.00 31.44 31.27 1lqp n GLU 52 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 1lqp h PRO 53 N 5.34 0.00 -0.25 5.31 0.11 -1.76 -0.50 132.00 140.25 1lqp h PRO 53 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 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 0.24 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.07 1lqp n GLN 54 N -4.24 1.88 -1.83 1.05 1.13 -1.26 -4.81 117.38 109.30 1lqp n GLN 54 Ca 0.03 -1.34 -0.42 0.00 -1.94 0.00 0.00 57.00 53.33 1lqp n GLN 54 Cb 0.34 -1.39 -0.02 0.00 0.11 0.00 0.00 30.24 29.28 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 -1.68 2.85 -1.21 1.08 5.04 -0.20 -4.89 117.35 118.35 1lqp s TYR 55 Ca 0.32 0.77 0.16 0.00 -2.44 0.00 0.00 57.07 55.87 1lqp s TYR 55 Cb 0.17 -4.01 0.47 0.00 0.35 0.00 0.00 41.96 38.94 1lqp s TYR 55 CO 0.25 -3.47 1.40 0.41 -1.34 0.00 0.00 175.55 172.80 1lqp n GLY 56 N 2.52 2.78 0.00 8.97 0.00 -1.26 -4.66 105.19 113.53 1lqp n GLY 56 Ca 0.09 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 0.85 -0.19 3.84 -0.02 0.00 -1.25 -4.99 105.19 103.43 1lqp n GLY 57 Ca 0.18 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.45 2.51 0.69 1.61 0.04 -1.26 -5.04 135.00 131.10 1lqp s PRO 58 Ca 0.00 0.56 -0.17 0.00 0.04 0.00 0.00 61.00 61.44 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 -1.31 0.60 0.00 0.04 0.00 0.00 177.00 176.34 1lqp n ALA 59 N -3.21 -1.21 -2.59 8.56 0.00 -1.26 -4.95 120.51 115.85 1lqp n ALA 59 Ca 0.07 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 1lqp n ALA 59 Cb 0.57 -1.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.10 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 -1.84 2.99 0.16 0.00 0.00 -1.26 -4.94 121.76 116.87 1lqp s ALA 60 Ca 0.68 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 51.61 1lqp s ALA 60 Cb -0.37 -4.02 0.02 0.00 0.00 0.00 0.00 23.12 18.75 1lqp s ALA 60 CO 0.56 -2.71 0.30 -0.40 0.00 0.00 0.00 175.76 173.51 1lqp n ASP 61 N 8.42 -0.88 -0.04 0.00 5.68 -1.26 -5.06 116.55 123.41 1lqp n ASP 61 Ca 0.07 -1.71 0.13 0.00 -0.50 0.00 0.00 54.79 52.77 1lqp n ASP 61 Cb 0.49 1.50 0.43 0.00 -1.14 0.00 0.00 41.12 42.39 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 -0.23 0.00 -1.70 2.11 4.01 -1.26 -4.91 117.16 115.17 1lqp n TYR 62 Ca -0.03 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.28 1lqp n TYR 62 Cb 0.25 -0.29 -0.03 0.00 -0.31 0.00 0.00 39.34 38.96 1lqp n TYR 62 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1lqp n THR 63 N -1.32 0.16 -3.68 -0.72 -1.04 -1.26 -4.96 114.28 101.46 1lqp n THR 63 Ca 0.08 -0.03 -0.09 0.00 -2.04 0.00 0.00 64.05 61.97 1lqp n THR 63 Cb 0.33 -1.98 -0.02 0.00 -1.82 0.00 0.00 70.33 66.84 1lqp n THR 63 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 1lqp s HIS 64 N 1.82 -0.33 -0.14 -1.42 -3.43 -1.26 -4.53 115.29 106.00 1lqp s HIS 64 Ca 0.79 -0.02 0.01 0.00 -0.80 0.00 0.00 55.06 55.04 1lqp s HIS 64 Cb -0.52 0.65 0.02 0.00 -1.43 0.00 0.00 32.58 31.29 1lqp s HIS 64 CO 0.35 -1.07 -0.16 0.71 -2.00 0.00 0.00 174.74 172.58 1lqp s TYR 65 N -3.83 2.25 -0.06 0.38 1.51 -0.37 -5.02 117.35 112.21 1lqp s TYR 65 Ca 0.07 -1.21 0.02 0.00 -1.01 0.00 0.00 57.07 54.95 1lqp s TYR 65 Cb -0.04 -1.62 -0.03 0.00 -0.11 0.00 0.00 41.96 40.17 1lqp s TYR 65 CO -0.01 -0.63 -0.12 0.00 -1.11 0.00 0.00 175.55 173.68 1lqp s ALA 66 N 1.25 2.77 0.00 3.71 0.00 -1.26 -1.29 121.76 126.94 1lqp s ALA 66 Ca 0.00 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.05 1lqp s ALA 66 Cb -0.14 -1.07 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 1lqp s ALA 66 CO -0.08 0.54 -0.07 -0.06 0.00 0.00 0.00 175.76 176.10 1lqp s PHE 67 N -0.70 2.88 0.52 0.00 0.40 0.88 -4.95 117.98 117.02 1lqp s PHE 67 Ca 0.11 -0.04 -0.16 0.00 -0.60 0.00 0.00 56.93 56.23 1lqp s PHE 67 Cb -0.11 -1.60 -0.08 0.00 0.51 0.00 0.00 43.02 41.74 1lqp s PHE 67 CO 0.01 0.37 0.98 0.20 0.70 0.00 0.00 175.22 177.49 1lqp s GLY 68 N -1.42 2.06 -0.06 4.36 0.00 -1.26 -1.04 107.32 109.96 1lqp s GLY 68 Ca 0.17 0.17 -0.18 0.00 0.00 0.00 0.00 44.72 44.88 1lqp s GLY 68 CO 0.07 0.45 0.42 -1.50 0.00 0.00 0.00 173.10 172.54 1lqp s ILE 69 N -2.63 0.03 0.45 0.90 2.07 -0.60 -4.78 121.20 116.65 1lqp s ILE 69 Ca 0.59 -0.27 -0.22 0.00 -1.41 0.00 0.00 60.65 59.34 1lqp s ILE 69 Cb -0.10 -0.70 -0.08 0.00 0.13 0.00 0.00 42.46 41.72 1lqp s ILE 69 CO 0.32 -0.15 1.10 0.00 -1.91 0.00 0.00 174.94 174.30 1lqp s ALA 70 N -0.94 2.96 0.22 1.50 0.00 -1.26 -4.05 121.76 120.18 1lqp s ALA 70 Ca -0.10 0.79 -0.11 0.00 0.00 0.00 0.00 51.96 52.54 1lqp s ALA 70 Cb -0.04 -3.32 0.31 0.00 0.00 0.00 0.00 23.12 20.07 1lqp s ALA 70 CO 0.05 -0.47 1.64 0.00 0.00 0.00 0.00 175.76 176.97 1lqp h ALA 71 N 2.01 0.56 0.00 0.00 0.00 -1.96 -1.41 119.26 118.46 1lqp h ALA 71 Ca -0.49 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1lqp h ALA 71 Cb 1.23 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1lqp h ALA 71 CO 0.60 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1lqp h ALA 72 N 1.64 1.00 0.00 0.00 0.00 -2.05 -2.60 119.26 117.25 1lqp h ALA 72 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1lqp h ALA 72 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1lqp h ALA 72 CO -0.62 0.00 -0.78 -0.25 0.00 0.00 0.00 179.25 177.59 1lqp n ASP 73 N -3.05 0.63 0.22 0.00 8.00 -0.56 -4.58 116.55 117.21 1lqp n ASP 73 Ca -0.00 -0.14 -0.15 0.00 0.71 0.00 0.00 54.79 55.20 1lqp n ASP 73 Cb 0.24 0.48 -0.08 0.00 -0.02 0.00 0.00 41.12 41.75 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 -0.63 -0.83 1.24 3.57 -1.18 -2.13 116.94 116.97 1lqp h PHE 74 Ca 0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1lqp h PHE 74 Cb 0.67 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.60 1lqp h PHE 74 CO 0.00 -0.37 0.55 0.00 -2.23 0.00 0.00 178.31 176.26 1lqp h ALA 75 N 0.01 1.07 -0.67 2.41 0.00 -1.81 -1.04 119.26 119.23 1lqp h ALA 75 Ca -0.03 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1lqp h ALA 75 Cb 0.49 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1lqp h ALA 75 CO 0.02 0.43 0.20 0.00 0.00 0.00 0.00 179.25 179.91 1lqp h ARG 76 N 1.10 1.05 0.01 0.00 3.08 -1.83 -0.99 114.38 116.80 1lqp h ARG 76 Ca 0.31 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 1lqp h ARG 76 Cb -0.09 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.81 1lqp h ARG 76 CO -0.08 0.92 -0.00 0.35 -1.07 0.00 0.00 179.97 180.08 1lqp h PHE 77 N 0.98 -0.01 -0.66 3.04 3.57 -0.73 0.16 116.94 123.30 1lqp h PHE 77 Ca 0.22 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.76 1lqp h PHE 77 Cb 0.31 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 1lqp h PHE 77 CO 0.02 0.13 0.38 0.00 -2.23 0.00 0.00 178.31 176.62 1lqp h ALA 78 N 0.85 0.88 -0.60 2.41 0.00 -1.10 -1.14 119.26 120.56 1lqp h ALA 78 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1lqp h ALA 78 Cb 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1lqp h ALA 78 CO 0.00 0.09 0.23 0.00 0.00 0.00 0.00 179.25 179.57 1lqp h ALA 79 N 1.32 0.78 -0.24 0.00 0.00 -1.02 -0.67 119.26 119.42 1lqp h ALA 79 Ca 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1lqp h ALA 79 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1lqp h ALA 79 CO -0.15 0.41 0.09 0.37 0.00 0.00 0.00 179.25 179.97 1lqp h GLN 80 N 0.83 0.37 -0.38 0.00 4.15 -0.55 0.48 115.11 120.01 1lqp h GLN 80 Ca 0.20 -0.07 -0.13 0.00 0.77 0.00 0.00 58.65 59.42 1lqp h GLN 80 Cb 0.22 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 1lqp h GLN 80 CO -0.01 0.42 -0.28 -0.07 -1.93 0.00 0.00 178.83 176.95 1lqp h LEU 81 N 0.24 0.82 -0.86 -2.39 4.07 -1.11 -2.06 115.31 114.03 1lqp h LEU 81 Ca 0.08 -0.33 -0.01 0.00 0.08 0.00 0.00 57.88 57.70 1lqp h LEU 81 Cb 0.19 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.66 1lqp h LEU 81 CO -0.01 1.06 0.49 0.03 -1.08 0.00 0.00 178.44 178.93 1lqp h ARG 82 N 0.68 1.18 0.00 1.13 3.08 -0.94 -2.24 114.38 117.27 1lqp h ARG 82 Ca 0.08 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1lqp h ARG 82 Cb 0.82 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 1lqp h ARG 82 CO 0.07 0.85 -0.10 0.00 -1.07 0.00 0.00 179.97 179.72 1lqp h ALA 83 N 1.27 1.24 -0.11 0.04 0.00 -0.57 -1.56 119.26 119.57 1lqp h ALA 83 Ca 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1lqp h ALA 83 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1lqp h ALA 83 CO -0.05 0.12 0.00 1.58 0.00 0.00 0.00 179.25 180.90 1lqp n HIS 84 N -3.55 0.13 -1.31 0.00 -0.00 -0.80 -4.93 115.22 104.76 1lqp n HIS 84 Ca -0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 57.72 57.64 1lqp n HIS 84 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.22 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 1.16 0.39 3.77 1.57 0.00 -0.58 -5.03 105.19 106.46 1lqp n GLY 85 Ca 0.17 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 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 3.10 0.13 1.61 1.01 -0.89 -4.99 120.40 118.37 1lqp s VAL 86 Ca 0.00 1.06 -0.20 0.00 0.00 0.00 0.00 61.98 62.85 1lqp s VAL 86 Cb 0.00 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.65 1lqp s VAL 86 CO 0.00 0.22 0.63 -0.60 0.00 0.00 0.00 175.10 175.35 1lqp s ARG 87 N -1.80 4.24 0.13 2.72 3.52 -1.26 -4.72 118.95 121.77 1lqp s ARG 87 Ca 0.49 0.80 -0.02 0.00 -0.13 0.00 0.00 55.73 56.87 1lqp s ARG 87 Cb -0.35 -3.12 -0.05 0.00 -1.56 0.00 0.00 34.95 29.87 1lqp s ARG 87 CO 0.45 0.56 0.32 -1.21 -0.81 0.00 0.00 175.30 174.60 1lqp s GLU 88 N -1.42 3.53 0.00 5.12 2.02 -1.26 -1.32 118.70 125.37 1lqp s GLU 88 Ca 0.34 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.05 1lqp s GLU 88 Cb -0.19 -2.92 0.00 0.00 0.10 0.00 0.00 34.13 31.12 1lqp s GLU 88 CO 0.21 0.51 0.15 -2.67 0.02 0.00 0.00 175.26 173.47 1lqp n TRP 89 N -0.02 0.00 -3.52 1.61 4.27 -0.79 -4.91 117.44 114.08 1lqp n TRP 89 Ca -0.04 0.00 -0.16 0.00 -3.89 0.00 0.00 57.50 53.41 1lqp n TRP 89 Cb 0.52 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.42 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 -0.57 1.02 -0.16 -2.67 2.20 -1.26 -5.06 119.74 113.24 1lqp s LYS 90 Ca 0.00 0.17 -0.05 0.00 -0.36 0.00 0.00 55.97 55.73 1lqp s LYS 90 Cb 0.00 0.48 -0.03 0.00 -1.51 0.00 0.00 37.83 36.77 1lqp s LYS 90 CO 0.00 -0.34 0.00 -1.14 -0.36 0.00 0.00 175.35 173.52 1lqp s GLN 91 N -1.46 3.78 0.24 4.03 0.74 -1.26 -4.27 119.66 121.45 1lqp s GLN 91 Ca -0.09 -0.44 -0.31 0.00 0.05 0.00 0.00 55.36 54.57 1lqp s GLN 91 Cb -0.00 -3.03 -0.11 0.00 1.10 0.00 0.00 33.01 30.97 1lqp s GLN 91 CO 0.07 0.27 1.59 1.21 -0.55 0.00 0.00 175.29 177.88 1lqp s ASN 92 N 0.32 6.47 0.00 6.67 2.47 -1.26 -4.89 114.94 124.72 1lqp s ASN 92 Ca -0.01 2.81 0.00 0.00 0.42 0.00 0.00 52.86 56.08 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 -0.87 0.00 0.54 -3.72 0.00 0.00 177.10 173.07 1lqp n ARG 93 N 3.02 3.94 -3.82 0.43 1.74 -1.26 -5.05 116.66 115.66 1lqp n ARG 93 Ca 0.11 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.97 1lqp n ARG 93 Cb 0.38 -0.39 -0.05 0.00 -1.02 0.00 0.00 32.46 31.38 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 -0.71 4.87 0.24 0.55 1.04 -1.26 -5.06 113.70 113.37 1lqp s SER 94 Ca 0.00 -0.79 -0.31 0.00 0.48 0.00 0.00 55.95 55.33 1lqp s SER 94 Cb 0.00 -0.63 -0.14 0.00 0.10 0.00 0.00 66.02 65.35 1lqp s SER 94 CO 0.00 -0.53 1.18 1.21 0.98 0.00 0.00 173.24 176.08 1lqp n GLU 95 N -1.39 1.50 0.00 4.02 0.00 -1.26 -4.69 120.64 118.83 1lqp n GLU 95 Ca 0.01 0.53 0.00 0.00 0.00 0.00 0.00 57.16 57.70 1lqp n GLU 95 Cb 0.62 -2.03 0.00 0.00 0.00 0.00 0.00 31.44 30.03 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 1.72 -1.83 3.62 8.31 0.00 -1.26 -4.92 105.19 110.82 1lqp n GLY 96 Ca 0.12 -1.19 -0.44 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.59 1.66 -3.80 1.61 8.00 -1.26 -4.71 116.55 117.46 1lqp n ASP 97 Ca 0.00 1.19 -0.12 0.00 0.71 0.00 0.00 54.79 56.56 1lqp n ASP 97 Cb 0.00 -1.33 -0.12 0.00 -0.02 0.00 0.00 41.12 39.65 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 -0.48 -0.20 -0.16 -2.24 0.01 -1.26 -0.82 113.70 108.54 1lqp s SER 98 Ca 0.58 0.36 0.01 0.00 1.31 0.00 0.00 55.95 58.21 1lqp s SER 98 Cb -0.67 0.42 0.02 0.00 0.21 0.00 0.00 66.02 66.00 1lqp s SER 98 CO 0.60 -0.12 -0.16 0.12 0.41 0.00 0.00 173.24 174.09 1lqp s PHE 99 N -0.08 2.38 -0.34 2.43 5.36 -0.47 -4.44 117.98 122.82 1lqp s PHE 99 Ca -0.02 -1.37 -0.06 0.00 -0.96 0.00 0.00 56.93 54.53 1lqp s PHE 99 Cb -0.02 -1.70 0.04 0.00 -0.34 0.00 0.00 43.02 41.00 1lqp s PHE 99 CO 0.01 -0.72 0.09 0.71 -1.46 0.00 0.00 175.22 173.85 1lqp s TYR 100 N 1.42 3.27 0.08 10.12 1.51 -1.26 -1.07 117.35 131.42 1lqp s TYR 100 Ca 0.05 -1.54 0.01 0.00 -1.01 0.00 0.00 57.07 54.58 1lqp s TYR 100 Cb -0.13 -2.30 -0.04 0.00 -0.11 0.00 0.00 41.96 39.38 1lqp s TYR 100 CO -0.11 -0.75 -0.06 -0.59 -1.11 0.00 0.00 175.55 172.92 1lqp s PHE 101 N 1.37 0.78 0.03 2.71 -0.12 -0.52 -1.88 117.98 120.35 1lqp s PHE 101 Ca -0.02 -0.85 -0.06 0.00 -0.05 0.00 0.00 56.93 55.95 1lqp s PHE 101 Cb -0.20 -0.47 -0.05 0.00 -0.63 0.00 0.00 43.02 41.68 1lqp s PHE 101 CO 0.02 -0.17 0.28 -0.51 -0.05 0.00 0.00 175.22 174.79 1lqp s LEU 102 N -2.71 4.36 0.80 -1.99 1.43 -0.43 -0.29 118.68 119.84 1lqp s LEU 102 Ca 0.06 0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 53.63 1lqp s LEU 102 Cb 0.02 -2.78 0.13 0.00 0.03 0.00 0.00 46.19 43.60 1lqp s LEU 102 CO -0.04 0.22 1.12 1.51 0.23 0.00 0.00 176.35 179.39 1lqp s ASP 103 N -1.85 4.04 0.62 2.29 -4.77 -0.49 -4.62 116.67 111.89 1lqp s ASP 103 Ca 0.30 0.12 0.31 0.00 -3.30 0.00 0.00 52.55 49.98 1lqp s ASP 103 Cb -0.13 -0.46 1.76 0.00 -1.09 0.00 0.00 42.92 43.00 1lqp s ASP 103 CO 0.18 -2.10 2.10 -0.65 0.70 0.00 0.00 175.17 175.40 1lqp h PRO 104 N -0.96 0.00 -0.00 2.11 0.11 -1.94 -1.18 132.00 130.14 1lqp h PRO 104 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1lqp h PRO 104 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1lqp h PRO 104 CO 0.46 0.00 -0.77 -0.25 -0.21 0.00 0.00 178.00 177.23 1lqp n ASP 105 N -3.52 1.09 0.00 -2.05 9.92 -1.26 -4.96 116.55 115.77 1lqp n ASP 105 Ca 0.01 -0.94 0.00 0.00 -0.53 0.00 0.00 54.79 53.33 1lqp n ASP 105 Cb 0.32 0.71 0.00 0.00 -0.64 0.00 0.00 41.12 41.51 1lqp n ASP 105 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1lqp n GLY 106 N 1.48 0.76 3.75 0.44 0.00 -0.45 -3.93 105.19 107.24 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 -2.39 2.75 -3.07 1.61 8.25 -1.26 -4.61 115.22 116.50 1lqp n HIS 107 Ca 0.00 0.44 -0.41 0.00 -0.26 0.00 0.00 57.72 57.49 1lqp n HIS 107 Cb 0.00 -2.51 -0.06 0.00 1.12 0.00 0.00 29.99 28.54 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 -1.73 4.05 0.35 -0.41 0.52 -1.26 -1.39 118.95 119.07 1lqp s ARG 108 Ca 0.56 0.53 0.09 0.00 -0.52 0.00 0.00 55.73 56.39 1lqp s ARG 108 Cb -0.51 -3.68 -0.05 0.00 0.52 0.00 0.00 34.95 31.23 1lqp s ARG 108 CO 0.61 -0.50 0.08 -0.51 0.02 0.00 0.00 175.30 175.00 1lqp s LEU 109 N 2.62 3.10 -0.15 2.53 1.43 0.60 -1.23 118.68 127.58 1lqp s LEU 109 Ca 0.28 -0.92 -0.13 0.00 -1.03 0.00 0.00 54.13 52.33 1lqp s LEU 109 Cb -0.15 -1.50 0.04 0.00 0.03 0.00 0.00 46.19 44.60 1lqp s LEU 109 CO 0.10 -0.29 0.39 -0.70 0.23 0.00 0.00 176.35 176.08 1lqp s GLU 110 N -3.78 0.45 -0.21 1.70 2.12 -0.41 -1.44 118.70 117.12 1lqp s GLU 110 Ca 0.36 0.56 -0.05 0.00 0.36 0.00 0.00 54.97 56.20 1lqp s GLU 110 Cb -0.01 0.20 -0.02 0.00 0.26 0.00 0.00 34.13 34.56 1lqp s GLU 110 CO 0.21 -0.06 0.01 0.00 -0.54 0.00 0.00 175.26 174.87 1lqp s ALA 111 N 0.31 3.03 -0.02 6.30 0.00 -0.23 -0.08 121.76 131.07 1lqp s ALA 111 Ca -0.01 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 50.95 1lqp s ALA 111 Cb -0.03 -1.82 -0.00 0.00 0.00 0.00 0.00 23.12 21.26 1lqp s ALA 111 CO -0.01 -0.24 -0.10 -1.58 0.00 0.00 0.00 175.76 173.84 1lqp s HIS 112 N 1.16 0.98 -0.30 0.00 5.04 -0.21 -1.37 115.29 120.60 1lqp s HIS 112 Ca 0.03 -0.23 -0.15 0.00 -1.54 0.00 0.00 55.06 53.17 1lqp s HIS 112 Cb -0.14 -0.68 -0.03 0.00 0.04 0.00 0.00 32.58 31.77 1lqp s HIS 112 CO 0.01 -0.08 0.37 0.08 -2.34 0.00 0.00 174.74 172.78 1lqp s VAL 113 N 0.05 5.17 -0.67 0.89 1.01 -0.00 -1.56 120.40 125.29 1lqp s VAL 113 Ca -0.01 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1lqp s VAL 113 Cb -0.07 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1lqp s VAL 113 CO 0.00 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.78 1lqp n GLY 114 N 4.80 0.64 0.42 4.51 0.00 -1.26 -4.01 105.19 110.29 1lqp n GLY 114 Ca -0.09 -2.27 -0.01 0.00 0.00 0.00 0.00 46.02 43.65 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 0.40 -0.22 -0.30 1.61 5.68 -1.26 -4.92 116.55 117.54 1lqp n ASP 115 Ca 0.00 -1.21 -0.05 0.00 -0.50 0.00 0.00 54.79 53.03 1lqp n ASP 115 Cb 0.00 0.38 0.07 0.00 -1.14 0.00 0.00 41.12 40.43 1lqp n ASP 115 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1lqp h LEU 116 N 0.00 1.09 -0.56 -2.12 5.85 -2.01 -1.46 115.31 116.11 1lqp h LEU 116 Ca -0.04 -0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.41 1lqp h LEU 116 Cb 0.14 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1lqp h LEU 116 CO 0.05 0.93 -0.19 0.03 -0.34 0.00 0.00 178.44 178.92 1lqp h ARG 117 N 1.18 0.96 -0.22 1.25 2.47 -1.99 0.27 114.38 118.31 1lqp h ARG 117 Ca 0.28 -0.39 -0.12 0.00 -1.26 0.00 0.00 59.98 58.49 1lqp h ARG 117 Cb 0.14 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 1lqp h ARG 117 CO -0.03 1.06 -0.39 0.66 0.56 0.00 0.00 179.97 181.82 1lqp h SER 118 N 0.84 0.52 -0.08 7.04 4.64 -1.87 -0.89 113.55 123.74 1lqp h SER 118 Ca 0.12 -0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1lqp h SER 118 Cb 0.75 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1lqp h SER 118 CO 0.06 0.86 0.04 -0.09 -0.87 0.00 0.00 176.83 176.82 1lqp h ARG 119 N 0.41 0.12 -0.58 4.77 9.65 -0.91 -1.48 114.38 126.36 1lqp h ARG 119 Ca 0.04 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 58.91 1lqp h ARG 119 Cb 0.87 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.39 1lqp h ARG 119 CO 0.07 0.22 0.38 -0.07 2.80 0.00 0.00 179.97 183.37 1lqp h LEU 120 N -0.01 0.64 -0.79 3.80 3.38 -0.82 0.23 115.31 121.75 1lqp h LEU 120 Ca 0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1lqp h LEU 120 Cb 0.14 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1lqp h LEU 120 CO -0.00 0.46 0.49 0.00 0.09 0.00 0.00 178.44 179.48 1lqp h ALA 121 N 1.23 1.00 -0.48 1.53 0.00 -1.05 0.17 119.26 121.66 1lqp h ALA 121 Ca 0.22 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1lqp h ALA 121 Cb -0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1lqp h ALA 121 CO -0.06 0.45 -0.15 0.00 0.00 0.00 0.00 179.25 179.48 1lqp h ALA 122 N 1.26 0.81 -0.14 0.00 0.00 -0.88 -2.73 119.26 117.59 1lqp h ALA 122 Ca 0.28 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1lqp h ALA 122 Cb -0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1lqp h ALA 122 CO -0.06 0.65 -0.36 0.00 0.00 0.00 0.00 179.25 179.49 1lqp h ARG 124 N 0.25 0.27 0.00 0.00 3.08 -0.73 -0.27 114.38 116.98 1lqp h ARG 124 Ca 0.03 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1lqp h ARG 124 Cb 0.75 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 1lqp h ARG 124 CO 0.06 0.69 -0.07 1.96 -1.07 0.00 0.00 179.97 181.54 1lqp h GLN 125 N 0.21 0.00 -1.75 0.04 4.20 -1.16 -3.40 115.11 113.25 1lqp h GLN 125 Ca 0.01 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.35 1lqp h GLN 125 Cb 0.93 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 28.43 1lqp h GLN 125 CO 0.08 0.07 -0.73 0.00 -0.67 0.00 0.00 178.83 177.58 1lqp s ALA 126 N -3.32 -0.35 0.35 3.87 0.00 -0.74 -5.12 121.76 116.46 1lqp s ALA 126 Ca 0.05 -1.35 -0.27 0.00 0.00 0.00 0.00 51.96 50.39 1lqp s ALA 126 Cb 0.07 -2.13 -0.09 0.00 0.00 0.00 0.00 23.12 20.97 1lqp s ALA 126 CO 0.65 -2.11 1.17 -2.14 0.00 0.00 0.00 175.76 173.33 1lqp s PRO 127 N 0.68 4.27 1.00 0.00 0.02 -0.16 -4.51 135.00 136.30 1lqp s PRO 127 Ca 0.28 1.89 -0.11 0.00 0.02 0.00 0.00 61.00 63.08 1lqp s PRO 127 Cb -0.02 -2.88 0.19 0.00 0.02 0.00 0.00 34.50 31.81 1lqp s PRO 127 CO -0.11 -0.15 1.09 0.71 -0.33 0.00 0.00 177.00 178.22 1lqp s TYR 128 N -1.30 1.71 0.05 6.54 4.12 -1.26 -4.88 117.35 122.33 1lqp s TYR 128 Ca 0.52 1.45 -0.30 0.00 0.02 0.00 0.00 57.07 58.76 1lqp s TYR 128 Cb -0.32 -3.20 -0.09 0.00 -1.52 0.00 0.00 41.96 36.82 1lqp s TYR 128 CO 0.42 -3.07 1.95 0.00 0.02 0.00 0.00 175.55 174.87 1lqp n ALA 129 N -4.38 1.72 -0.94 3.71 0.00 -1.26 -1.36 120.51 117.99 1lqp n ALA 129 Ca 0.07 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1lqp n ALA 129 Cb 0.54 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.32 1lqp n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lqp n GLY 130 N 4.48 0.68 3.74 0.00 0.00 -1.26 -4.97 105.19 107.86 1lqp n GLY 130 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.06 4.44 0.03 1.61 0.00 -0.47 -5.01 119.30 119.84 1lqp s MET 131 Ca 0.00 1.96 0.06 0.00 0.00 0.00 0.00 55.69 57.71 1lqp s MET 131 Cb 0.00 -3.22 -0.02 0.00 0.00 0.00 0.00 34.83 31.59 1lqp s MET 131 CO 0.00 -0.18 -0.16 1.03 0.00 0.00 0.00 175.02 175.71 1lqp s ARG 132 N -0.13 1.14 0.03 4.11 0.52 -1.26 -4.95 118.95 118.39 1lqp s ARG 132 Ca 0.55 -0.78 0.08 0.00 -0.52 0.00 0.00 55.73 55.06 1lqp s ARG 132 Cb -0.34 -1.17 -0.03 0.00 0.52 0.00 0.00 34.95 33.93 1lqp s ARG 132 CO 0.37 0.30 -0.25 -0.06 0.02 0.00 0.00 175.30 175.68 1lqp s PHE 133 N -0.75 2.19 -0.83 -0.53 0.40 -1.26 -5.17 117.98 112.02 1lqp s PHE 133 Ca 0.04 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.97 1lqp s PHE 133 Cb -0.08 -1.34 0.00 0.00 0.51 0.00 0.00 43.02 42.11 1lqp s PHE 133 CO 0.01 0.07 0.21 0.00 0.70 0.00 0.00 175.22 176.21