#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqp s ARG 2 N 0.00 1.45 0.15 1.61 1.81 -1.26 -5.16 118.95 117.55 1sqp s ARG 2 Ca 0.00 -1.53 0.04 0.00 -1.72 0.00 0.00 55.73 52.52 1sqp s ARG 2 Cb 0.00 -1.62 -0.04 0.00 -0.45 0.00 0.00 34.95 32.84 1sqp s ARG 2 CO 0.00 0.33 -0.08 -0.65 -0.68 0.00 0.00 175.30 174.22 1sqp s GLN 3 N -2.90 1.05 0.46 3.54 1.11 -1.26 -5.08 119.66 116.58 1sqp s GLN 3 Ca 0.21 -1.46 -0.25 0.00 0.01 0.00 0.00 55.36 53.87 1sqp s GLN 3 Cb -0.06 -0.53 -0.08 0.00 -1.01 0.00 0.00 33.01 31.33 1sqp s GLN 3 CO 0.09 0.03 1.33 1.19 0.01 0.00 0.00 175.29 177.94 1sqp n PHE 4 N -0.20 2.32 -0.36 0.91 3.72 -1.26 -2.61 117.46 119.97 1sqp n PHE 4 Ca -0.10 0.47 0.00 0.00 -0.05 0.00 0.00 57.45 57.77 1sqp n PHE 4 Cb 0.61 -2.40 0.00 0.00 -0.94 0.00 0.00 39.48 36.75 1sqp n PHE 4 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sqp n GLY 5 N 0.74 0.92 0.00 1.37 0.00 -1.26 -4.84 105.19 102.11 1sqp n GLY 5 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1sqp n GLY 5 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1sqp n HIS 6 N -2.00 0.00 0.16 1.61 8.25 -1.07 -4.97 115.22 117.20 1sqp n HIS 6 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 1sqp n HIS 6 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 1sqp n HIS 6 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1sqp h LEU 7 N 0.00 -0.37 -7.29 2.41 3.38 -1.89 -3.48 115.31 108.08 1sqp h LEU 7 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1sqp h LEU 7 Cb 0.24 0.10 -0.10 0.00 0.09 0.00 0.00 40.66 40.99 1sqp h LEU 7 CO 0.00 -0.17 0.21 0.28 0.09 0.00 0.00 178.44 178.84 1sqp s THR 8 N -3.33 0.00 0.01 0.22 -1.32 -1.26 -5.13 115.64 104.83 1sqp s THR 8 Ca -0.06 -0.29 -0.30 0.00 -1.21 0.00 0.00 61.69 59.82 1sqp s THR 8 Cb 0.01 -1.28 -0.04 0.00 -1.51 0.00 0.00 72.50 69.67 1sqp s THR 8 CO 0.19 -0.01 1.10 -0.60 -2.21 0.00 0.00 174.62 173.10 1sqp s ARG 9 N -3.80 4.47 -0.04 7.08 3.52 -1.26 -5.04 118.95 123.87 1sqp s ARG 9 Ca 0.04 1.59 -0.01 0.00 -0.13 0.00 0.00 55.73 57.22 1sqp s ARG 9 Cb -0.02 -3.44 0.03 0.00 -1.56 0.00 0.00 34.95 29.96 1sqp s ARG 9 CO -0.07 -0.22 0.08 0.08 -0.81 0.00 0.00 175.30 174.36 1sqp s VAL 10 N 1.30 -0.08 0.00 7.11 1.01 -1.26 -5.16 120.40 123.33 1sqp s VAL 10 Ca 0.55 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.82 1sqp s VAL 10 Cb -0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 1sqp s VAL 10 CO 0.27 0.10 -0.16 -0.13 0.00 0.00 0.00 175.10 175.17 1sqp s ARG 11 N 1.31 1.25 -0.38 2.72 0.52 -1.26 -4.91 118.95 118.20 1sqp s ARG 11 Ca -0.07 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 1sqp s ARG 11 Cb -0.12 -1.24 0.00 0.00 0.52 0.00 0.00 34.95 34.11 1sqp s ARG 11 CO -0.04 0.33 0.00 0.72 0.02 0.00 0.00 175.30 176.33 1sqp n HIS 12 N 2.49 -0.05 -3.88 -0.53 8.25 -1.26 -5.04 115.22 115.21 1sqp n HIS 12 Ca -0.15 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 56.96 1sqp n HIS 12 Cb 0.54 -1.17 -0.13 0.00 1.12 0.00 0.00 29.99 30.35 1sqp n HIS 12 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1sqp s VAL 13 N -2.15 3.04 0.14 1.59 1.01 -1.26 -5.09 120.40 117.69 1sqp s VAL 13 Ca 0.00 -1.59 -0.27 0.00 0.00 0.00 0.00 61.98 60.12 1sqp s VAL 13 Cb 0.00 -2.86 -0.07 0.00 0.00 0.00 0.00 36.38 33.45 1sqp s VAL 13 CO 0.00 -0.27 0.83 -0.63 0.00 0.00 0.00 175.10 175.03 1sqp s ILE 14 N 1.21 4.41 -0.11 2.22 1.01 -1.26 -5.08 121.20 123.60 1sqp s ILE 14 Ca -0.01 1.81 0.02 0.00 0.00 0.00 0.00 60.65 62.47 1sqp s ILE 14 Cb -0.20 -4.20 0.02 0.00 0.01 0.00 0.00 42.46 38.08 1sqp s ILE 14 CO -0.02 0.45 -0.15 -0.89 0.00 0.00 0.00 174.94 174.33 1sqp s THR 15 N -0.74 1.52 -0.27 2.92 2.01 -1.26 -5.12 115.64 114.69 1sqp s THR 15 Ca 0.39 -0.65 -0.08 0.00 0.31 0.00 0.00 61.69 61.66 1sqp s THR 15 Cb -0.23 -1.39 -0.02 0.00 0.01 0.00 0.00 72.50 70.87 1sqp s THR 15 CO 0.27 0.45 0.09 -0.31 -0.69 0.00 0.00 174.62 174.43 1sqp s TYR 16 N 1.05 3.12 0.21 4.92 1.51 -1.26 -5.09 117.35 121.81 1sqp s TYR 16 Ca -0.05 -0.55 0.10 0.00 -1.01 0.00 0.00 57.07 55.56 1sqp s TYR 16 Cb -0.15 -2.27 -0.04 0.00 -0.11 0.00 0.00 41.96 39.39 1sqp s TYR 16 CO -0.03 -0.42 -0.16 -1.12 -1.11 0.00 0.00 175.55 172.72 1sqp s SER 17 N 1.60 3.87 0.09 2.29 0.01 -1.26 -5.15 113.70 115.14 1sqp s SER 17 Ca 0.05 -0.77 0.10 0.00 1.31 0.00 0.00 55.95 56.64 1sqp s SER 17 Cb -0.16 -0.49 -0.03 0.00 0.21 0.00 0.00 66.02 65.55 1sqp s SER 17 CO 0.04 0.09 -0.26 -0.22 0.41 0.00 0.00 173.24 173.30 1sqp s LEU 18 N -2.98 2.27 0.43 2.44 0.20 -1.26 -5.14 118.68 114.64 1sqp s LEU 18 Ca 0.25 -0.67 -0.26 0.00 0.69 0.00 0.00 54.13 54.15 1sqp s LEU 18 Cb -0.08 -1.27 -0.08 0.00 -0.43 0.00 0.00 46.19 44.33 1sqp s LEU 18 CO 0.14 0.22 1.37 -0.55 -0.29 0.00 0.00 176.35 177.23 1sqp s SER 19 N -1.70 6.07 0.52 3.68 0.15 -1.26 -4.94 113.70 116.22 1sqp s SER 19 Ca 0.13 2.79 0.28 0.00 0.70 0.00 0.00 55.95 59.86 1sqp s SER 19 Cb -0.10 -2.65 1.39 0.00 -1.71 0.00 0.00 66.02 62.95 1sqp s SER 19 CO 0.04 -1.03 2.03 -0.65 1.20 0.00 0.00 173.24 174.83 1sqp h PRO 20 N 2.47 0.00 0.00 5.44 0.11 -2.01 -1.38 132.00 136.64 1sqp h PRO 20 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1sqp h PRO 20 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1sqp h PRO 20 CO 0.62 0.12 0.00 0.74 -0.21 0.00 0.00 178.00 179.27 1sqp h PHE 21 N 0.00 0.00 0.00 0.65 0.04 -2.02 -3.20 116.94 112.41 1sqp h PHE 21 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1sqp h PHE 21 Cb 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1sqp h PHE 21 CO 0.00 0.00 -1.06 0.39 -0.60 0.00 0.00 178.31 177.04 1sqp n GLU 22 N -2.50 0.37 -4.57 1.51 -0.58 -0.53 -4.98 120.64 109.36 1sqp n GLU 22 Ca 0.04 0.01 -0.26 0.00 -0.42 0.00 0.00 57.16 56.53 1sqp n GLU 22 Cb 0.41 -1.64 -0.11 0.00 -0.57 0.00 0.00 31.44 29.54 1sqp n GLU 22 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 1sqp s GLN 23 N -3.25 1.86 -0.07 3.49 -2.07 -1.16 -5.04 119.66 113.43 1sqp s GLN 23 Ca 0.02 -2.02 -0.11 0.00 -1.82 0.00 0.00 55.36 51.43 1sqp s GLN 23 Cb 0.13 -1.58 -0.05 0.00 -1.09 0.00 0.00 33.01 30.43 1sqp s GLN 23 CO 0.80 0.01 0.29 -0.98 -1.32 0.00 0.00 175.29 174.08 1sqp s ARG 24 N -3.69 3.76 0.28 9.60 1.70 -1.26 -4.91 118.95 124.43 1sqp s ARG 24 Ca 0.34 0.15 0.00 0.00 -0.47 0.00 0.00 55.73 55.76 1sqp s ARG 24 Cb 0.07 -3.23 0.40 0.00 -0.57 0.00 0.00 34.95 31.62 1sqp s ARG 24 CO 0.17 0.68 1.77 0.00 -1.08 0.00 0.00 175.30 176.83 1sqp h ALA 25 N 5.04 1.15 -3.15 7.88 0.00 -2.01 -3.33 119.26 124.82 1sqp h ALA 25 Ca -0.52 -0.27 -0.63 0.00 0.00 0.00 0.00 54.91 53.49 1sqp h ALA 25 Cb 1.22 -0.17 -0.42 0.00 0.00 0.00 0.00 17.79 18.43 1sqp h ALA 25 CO 0.62 0.54 -0.60 -0.06 0.00 0.00 0.00 179.25 179.75 1sqp s PHE 26 N -4.86 3.39 0.06 0.00 0.40 -1.26 -5.00 117.98 110.70 1sqp s PHE 26 Ca -0.08 -3.26 -0.22 0.00 -0.60 0.00 0.00 56.93 52.77 1sqp s PHE 26 Cb 0.15 -2.69 -0.10 0.00 0.51 0.00 0.00 43.02 40.88 1sqp s PHE 26 CO 0.80 -0.61 1.34 -1.00 0.70 0.00 0.00 175.22 176.44 1sqp h PRO 27 N 5.74 -0.54 -2.03 0.24 0.13 -2.01 -3.38 132.00 130.15 1sqp h PRO 27 Ca 0.08 0.04 -0.56 0.00 -0.87 0.00 0.00 66.00 64.69 1sqp h PRO 27 Cb 0.80 0.12 -0.39 0.00 0.13 0.00 0.00 31.00 31.66 1sqp h PRO 27 CO 0.70 -0.36 -1.06 0.72 -0.23 0.00 0.00 178.00 177.77 1sqp n HIS 28 N -4.26 0.21 -0.29 1.56 8.25 -1.26 -5.01 115.22 114.42 1sqp n HIS 28 Ca -0.07 -3.66 0.01 0.00 -0.26 0.00 0.00 57.72 53.74 1sqp n HIS 28 Cb 0.27 -0.38 0.14 0.00 1.12 0.00 0.00 29.99 31.14 1sqp n HIS 28 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1sqp h TYR 29 N 3.88 0.88 0.00 4.41 3.20 -1.99 -1.86 116.97 125.49 1sqp h TYR 29 Ca 0.09 0.03 -0.33 0.00 3.14 0.00 0.00 58.73 61.66 1sqp h TYR 29 Cb 0.86 -0.27 -0.06 0.00 1.54 0.00 0.00 36.73 38.79 1sqp h TYR 29 CO 0.43 0.41 -2.24 1.19 -1.64 0.00 0.00 178.16 176.31 1sqp n PHE 30 N -4.70 0.00 0.33 -3.82 3.72 -1.26 -2.93 117.46 108.80 1sqp n PHE 30 Ca 0.12 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.67 1sqp n PHE 30 Cb 0.21 -0.87 0.62 0.00 -0.94 0.00 0.00 39.48 38.49 1sqp n PHE 30 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1sqp h SER 31 N 0.00 0.00 0.00 4.37 4.64 -1.98 -2.90 113.55 117.69 1sqp h SER 31 Ca -0.49 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.81 1sqp h SER 31 Cb 1.98 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.07 1sqp h SER 31 CO -0.01 0.00 -1.06 1.17 -0.87 0.00 0.00 176.83 176.05 1sqp n LYS 32 N -2.76 1.61 0.07 4.77 4.81 -0.70 -4.69 118.16 121.26 1sqp n LYS 32 Ca 0.01 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.33 1sqp n LYS 32 Cb 0.28 -1.02 -0.08 0.00 0.02 0.00 0.00 35.03 34.22 1sqp n LYS 32 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1sqp h GLY 33 N 0.13 -0.13 0.97 3.14 0.00 -1.59 -2.11 103.07 103.48 1sqp h GLY 33 Ca -0.03 0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 1sqp h GLY 33 CO -0.00 -0.05 -0.04 -2.22 0.00 0.00 0.00 176.54 174.23 1sqp h ILE 34 N -0.28 0.94 -0.93 2.60 2.04 -1.69 0.17 117.51 120.35 1sqp h ILE 34 Ca -0.01 -0.07 0.22 0.00 1.00 0.00 0.00 64.86 66.00 1sqp h ILE 34 Cb 0.23 0.98 -0.12 0.00 -0.74 0.00 0.00 36.82 37.18 1sqp h ILE 34 CO 0.02 0.02 0.48 -0.65 0.00 0.00 0.00 178.15 178.02 1sqp h PRO 35 N -0.14 0.50 -0.28 2.37 0.11 -1.78 -1.25 132.00 131.53 1sqp h PRO 35 Ca -0.01 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.01 1sqp h PRO 35 Cb 0.11 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1sqp h PRO 35 CO 0.02 0.33 -0.04 -0.97 -0.21 0.00 0.00 178.00 177.13 1sqp h ASN 36 N 0.51 0.51 -0.22 -2.05 -0.73 -1.01 -2.47 115.58 110.12 1sqp h ASN 36 Ca 0.58 -0.34 -0.10 0.00 1.87 0.00 0.00 56.30 58.31 1sqp h ASN 36 Cb 1.05 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 39.49 1sqp h ASN 36 CO -0.48 0.74 -0.19 -0.37 -0.37 0.00 0.00 177.43 176.76 1sqp h VAL 37 N 0.28 1.26 -0.02 2.57 -1.51 0.52 0.96 116.25 120.31 1sqp h VAL 37 Ca 0.07 -1.24 -0.00 0.00 -1.23 0.00 0.00 66.70 64.30 1sqp h VAL 37 Cb 0.50 1.20 -0.00 0.00 -2.13 0.00 0.00 31.29 30.85 1sqp h VAL 37 CO 0.02 0.41 -0.00 -0.07 -1.23 0.00 0.00 177.57 176.70 1sqp h LEU 38 N 0.59 0.04 -0.91 4.19 3.38 -1.49 -1.48 115.31 119.63 1sqp h LEU 38 Ca 0.09 -0.36 0.20 0.00 0.09 0.00 0.00 57.88 57.90 1sqp h LEU 38 Cb 0.65 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.27 1sqp h LEU 38 CO 0.05 0.40 0.46 -0.09 0.09 0.00 0.00 178.44 179.35 1sqp h ARG 39 N -0.31 0.51 -0.46 1.13 2.43 -1.03 0.27 114.38 116.92 1sqp h ARG 39 Ca 0.01 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.01 1sqp h ARG 39 Cb 0.38 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1sqp h ARG 39 CO 0.00 0.34 -0.24 0.00 -1.51 0.00 0.00 179.97 178.56 1sqp h ARG 40 N 0.53 0.97 0.07 0.20 2.47 -0.66 -2.25 114.38 115.70 1sqp h ARG 40 Ca 0.55 -0.43 -0.00 0.00 -1.26 0.00 0.00 59.98 58.84 1sqp h ARG 40 Cb 0.97 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.26 1sqp h ARG 40 CO -0.46 1.10 -0.03 1.15 0.56 0.00 0.00 179.97 182.28 1sqp h THR 41 N 0.83 1.19 -0.79 2.04 2.02 0.08 -3.17 112.91 115.11 1sqp h THR 41 Ca 0.10 -0.97 0.12 0.00 0.77 0.00 0.00 66.41 66.43 1sqp h THR 41 Cb 0.82 1.81 -0.06 0.00 -1.74 0.00 0.00 68.15 68.98 1sqp h THR 41 CO 0.07 0.24 0.52 -0.09 0.37 0.00 0.00 175.52 176.63 1sqp h ARG 42 N -0.54 0.59 -0.02 6.66 2.43 -0.59 0.14 114.38 123.04 1sqp h ARG 42 Ca -0.01 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1sqp h ARG 42 Cb 0.46 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1sqp h ARG 42 CO 0.02 0.39 -0.08 0.00 -1.51 0.00 0.00 179.97 178.79 1sqp h ALA 43 N 1.62 1.83 0.00 2.80 0.00 -1.39 -3.35 119.26 120.78 1sqp h ALA 43 Ca 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1sqp h ALA 43 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1sqp h ALA 43 CO -0.14 0.13 -0.58 0.00 0.00 0.00 0.00 179.25 178.65 1sqp h ILE 45 N 0.00 0.86 0.00 0.00 3.07 -0.90 0.72 117.51 121.26 1sqp h ILE 45 Ca 0.00 -0.23 0.00 0.00 1.55 0.00 0.00 64.86 66.18 1sqp h ILE 45 Cb 0.08 0.12 0.00 0.00 -0.27 0.00 0.00 36.82 36.75 1sqp h ILE 45 CO 0.00 0.12 0.00 0.18 -1.05 0.00 0.00 178.15 177.40 1sqp n LEU 46 N -4.54 0.00 -0.00 0.16 7.99 -1.26 -2.05 117.00 117.29 1sqp n LEU 46 Ca 0.16 0.09 0.02 0.00 -0.01 0.00 0.00 56.01 56.27 1sqp n LEU 46 Cb 0.44 -0.09 -0.03 0.00 -0.11 0.00 0.00 43.42 43.64 1sqp n LEU 46 CO 0.30 -0.02 -0.52 0.54 -1.51 0.00 0.00 177.39 176.18 1sqp n ARG 47 N -1.09 0.33 -0.04 3.23 1.74 0.18 -4.70 116.66 116.31 1sqp n ARG 47 Ca 0.17 -0.03 -0.06 0.00 -0.77 0.00 0.00 57.85 57.16 1sqp n ARG 47 Cb 0.12 -1.07 -0.03 0.00 -1.02 0.00 0.00 32.46 30.46 1sqp n ARG 47 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1sqp n VAL 48 N -1.61 0.42 0.02 1.55 0.31 -0.80 -4.83 118.33 113.39 1sqp n VAL 48 Ca -0.01 -0.15 -0.12 0.00 -0.01 0.00 0.00 64.34 64.05 1sqp n VAL 48 Cb 0.10 -0.97 -0.08 0.00 -0.91 0.00 0.00 33.84 31.97 1sqp n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sqp h ALA 49 N -0.07 -0.01 -1.02 3.52 0.00 -1.63 -3.37 119.26 116.68 1sqp h ALA 49 Ca -0.17 -0.11 0.25 0.00 0.00 0.00 0.00 54.91 54.88 1sqp h ALA 49 Cb 1.23 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 1sqp h ALA 49 CO -0.05 -0.40 0.63 -1.35 0.00 0.00 0.00 179.25 178.08 1sqp h PRO 50 N -0.22 0.51 -0.12 0.00 0.11 -1.84 -0.90 132.00 129.55 1sqp h PRO 50 Ca -0.00 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.93 1sqp h PRO 50 Cb 0.21 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 1sqp h PRO 50 CO 0.00 0.34 -0.58 -1.00 -0.21 0.00 0.00 178.00 176.56 1sqp h PRO 51 N 0.53 0.37 -0.51 1.05 0.13 -1.91 -2.64 132.00 129.02 1sqp h PRO 51 Ca 0.61 -0.24 -0.07 0.00 -0.87 0.00 0.00 66.00 65.43 1sqp h PRO 51 Cb 1.30 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 1sqp h PRO 51 CO -0.39 0.84 0.05 0.74 -0.23 0.00 0.00 178.00 179.02 1sqp h PHE 52 N 0.28 0.94 -0.07 1.56 0.04 -1.36 0.35 116.94 118.68 1sqp h PHE 52 Ca -0.00 -0.14 0.02 0.00 2.80 0.00 0.00 57.97 60.65 1sqp h PHE 52 Cb 1.09 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.97 1sqp h PHE 52 CO 0.03 0.86 -0.06 0.28 -0.60 0.00 0.00 178.31 178.82 1sqp h VAL 53 N 0.74 0.82 -1.01 -0.55 2.07 -1.37 0.18 116.25 117.13 1sqp h VAL 53 Ca 0.15 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.75 1sqp h VAL 53 Cb 0.45 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 30.97 1sqp h VAL 53 CO 0.02 0.00 0.65 0.00 0.02 0.00 0.00 177.57 178.26 1sqp h ALA 54 N 0.98 1.42 0.43 1.67 0.00 -1.21 0.10 119.26 122.65 1sqp h ALA 54 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1sqp h ALA 54 Cb 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1sqp h ALA 54 CO -0.11 0.41 -0.21 0.35 0.00 0.00 0.00 179.25 179.69 1sqp h PHE 55 N 1.15 -0.54 -0.53 0.00 3.57 -0.17 -2.78 116.94 117.64 1sqp h PHE 55 Ca 0.45 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 62.04 1sqp h PHE 55 Cb 0.23 0.18 -0.10 0.00 2.79 0.00 0.00 35.95 39.04 1sqp h PHE 55 CO -0.00 -0.24 -0.14 -0.92 -2.23 0.00 0.00 178.31 174.77 1sqp h TYR 56 N -0.77 -0.32 -0.31 0.41 3.20 0.11 0.29 116.97 119.59 1sqp h TYR 56 Ca -0.06 0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 1sqp h TYR 56 Cb 0.54 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 1sqp h TYR 56 CO -0.00 -0.24 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.16 1sqp h LEU 57 N -0.01 0.46 -0.42 2.82 3.38 -1.16 0.48 115.31 120.85 1sqp h LEU 57 Ca 0.25 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 1sqp h LEU 57 Cb 0.40 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1sqp h LEU 57 CO -0.55 0.56 -0.12 0.58 0.09 0.00 0.00 178.44 179.00 1sqp h VAL 58 N 0.46 1.28 -0.13 1.22 2.07 -0.70 -1.92 116.25 118.53 1sqp h VAL 58 Ca 0.10 -1.23 0.01 0.00 0.82 0.00 0.00 66.70 66.39 1sqp h VAL 58 Cb 0.37 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1sqp h VAL 58 CO 0.02 0.41 0.06 0.22 0.02 0.00 0.00 177.57 178.30 1sqp h TYR 59 N 0.64 0.12 -0.32 1.57 3.20 -0.08 0.14 116.97 122.23 1sqp h TYR 59 Ca 0.10 0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.80 1sqp h TYR 59 Cb 0.66 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.89 1sqp h TYR 59 CO 0.05 0.07 -0.49 1.79 -1.64 0.00 0.00 178.16 177.94 1sqp h THR 60 N 0.14 1.27 0.04 1.81 1.35 -0.93 -2.58 112.91 114.02 1sqp h THR 60 Ca 0.05 -1.67 -0.00 0.00 -0.55 0.00 0.00 66.41 64.24 1sqp h THR 60 Cb 0.01 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1sqp h THR 60 CO -0.04 0.55 -0.02 -0.25 -0.25 0.00 0.00 175.52 175.51 1sqp h TRP 61 N 0.70 -0.05 -0.75 4.73 7.01 -1.37 -2.54 115.95 123.67 1sqp h TRP 61 Ca 0.03 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.10 1sqp h TRP 61 Cb 1.10 0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 28.11 1sqp h TRP 61 CO 0.07 0.19 0.42 0.78 -2.79 0.00 0.00 178.44 177.11 1sqp h GLY 62 N -0.29 1.12 1.25 2.65 0.00 -0.75 0.27 103.07 107.32 1sqp h GLY 62 Ca -0.01 -0.29 -0.20 0.00 0.00 0.00 0.00 47.33 46.84 1sqp h GLY 62 CO 0.01 0.15 -0.66 -0.84 0.00 0.00 0.00 176.54 175.20 1sqp h THR 63 N 0.75 1.29 -0.34 4.70 2.02 -1.54 -1.41 112.91 118.38 1sqp h THR 63 Ca 0.35 -1.87 -0.08 0.00 0.77 0.00 0.00 66.41 65.57 1sqp h THR 63 Cb 0.26 1.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 1sqp h THR 63 CO -0.21 0.60 -0.15 -0.61 0.37 0.00 0.00 175.52 175.52 1sqp h GLN 64 N 0.56 0.59 0.00 6.66 4.15 -0.99 -2.59 115.11 123.50 1sqp h GLN 64 Ca -0.02 -0.19 -0.07 0.00 0.77 0.00 0.00 58.65 59.14 1sqp h GLN 64 Cb 1.27 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.89 1sqp h GLN 64 CO 0.14 0.72 -0.35 1.49 -1.93 0.00 0.00 178.83 178.90 1sqp h GLU 65 N 0.54 0.00 0.50 1.69 4.57 -0.40 -2.98 114.58 118.51 1sqp h GLU 65 Ca 0.09 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 1sqp h GLU 65 Cb 0.56 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1sqp h GLU 65 CO 0.04 0.35 -0.24 0.35 -1.18 0.00 0.00 179.01 178.33 1sqp h PHE 66 N 0.00 -0.62 -0.16 0.92 3.57 -0.85 -3.34 116.94 116.46 1sqp h PHE 66 Ca -0.00 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 1sqp h PHE 66 Cb 0.95 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.89 1sqp h PHE 66 CO 0.00 -0.30 -0.15 1.05 -2.23 0.00 0.00 178.31 176.68 1sqp h GLU 67 N -0.94 0.39 -3.16 1.11 4.11 -1.64 -3.26 114.58 111.19 1sqp h GLU 67 Ca -0.07 -0.20 -0.63 0.00 0.07 0.00 0.00 59.36 58.53 1sqp h GLU 67 Cb 0.60 0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.88 1sqp h GLU 67 CO 0.11 0.75 3.61 1.63 0.07 0.00 0.00 179.01 185.18 1sqp n LYS 68 N -4.54 3.37 0.00 1.06 4.76 -1.12 -3.59 118.16 118.10 1sqp n LYS 68 Ca -0.06 -2.11 0.00 0.00 -2.87 0.00 0.00 58.31 53.27 1sqp n LYS 68 Cb 0.37 -2.78 0.00 0.00 -1.84 0.00 0.00 35.03 30.77 1sqp n LYS 68 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1sqp n SER 69 N 3.91 0.00 0.07 4.39 2.88 -1.23 -4.80 113.62 118.85 1sqp n SER 69 Ca 0.71 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 58.18 1sqp n SER 69 Cb 0.23 0.06 -0.09 0.00 -0.75 0.00 0.00 64.21 63.66 1sqp n SER 69 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1sqp h LYS 70 N 0.00 0.04 -6.96 -1.46 1.63 -1.74 -3.45 116.57 104.63 1sqp h LYS 70 Ca 0.00 -0.06 -0.52 0.00 -0.85 0.00 0.00 60.65 59.22 1sqp h LYS 70 Cb 0.00 0.02 0.08 0.00 -0.60 0.00 0.00 32.23 31.73 1sqp h LYS 70 CO 0.00 0.99 0.56 -0.98 -3.45 0.00 0.00 179.45 176.57 1sqp s ARG 71 N -2.81 3.88 0.04 1.90 1.70 -1.26 -5.05 118.95 117.34 1sqp s ARG 71 Ca 0.00 2.01 -0.00 0.00 -0.47 0.00 0.00 55.73 57.27 1sqp s ARG 71 Cb 0.10 -2.63 0.01 0.00 -0.57 0.00 0.00 34.95 31.86 1sqp s ARG 71 CO 0.82 -0.52 0.05 1.63 -1.08 0.00 0.00 175.30 176.20 1sqp n LYS 72 N -0.10 0.50 0.00 3.89 4.01 -1.26 -5.06 118.16 120.14 1sqp n LYS 72 Ca 0.05 -0.12 0.00 0.00 -0.51 0.00 0.00 58.31 57.73 1sqp n LYS 72 Cb 0.45 -0.04 0.00 0.00 -0.51 0.00 0.00 35.03 34.94 1sqp n LYS 72 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1sqp n ASN 73 N -3.00 0.00 -3.52 4.39 3.02 -1.26 -5.12 115.26 109.76 1sqp n ASN 73 Ca 0.01 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.45 1sqp n ASN 73 Cb 0.03 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.22 1sqp n ASN 73 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1sqp n PRO 74 N -1.23 0.87 0.00 3.52 -0.04 -1.26 -5.37 135.00 131.49 1sqp n PRO 74 Ca 0.00 -1.68 0.12 0.00 -0.04 0.00 0.00 63.50 61.90 1sqp n PRO 74 Cb 0.00 -0.04 0.69 0.00 -0.04 0.00 0.00 33.50 34.12 1sqp n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46