#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wqp s VAL 2 N 0.00 4.01 0.59 3.15 1.01 -1.26 -1.23 120.40 126.67 1wqp s VAL 2 Ca 0.00 -1.42 -0.18 0.00 0.00 0.00 0.00 61.98 60.38 1wqp s VAL 2 Cb 0.00 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1wqp s VAL 2 CO 0.00 -0.45 1.13 -0.36 0.00 0.00 0.00 175.10 175.42 1wqp s PHE 3 N 1.39 2.61 0.22 5.22 0.40 -0.18 -5.00 117.98 122.64 1wqp s PHE 3 Ca 0.02 1.55 -0.08 0.00 -0.60 0.00 0.00 56.93 57.82 1wqp s PHE 3 Cb -0.22 -3.27 -0.07 0.00 0.51 0.00 0.00 43.02 39.97 1wqp s PHE 3 CO 0.01 -1.69 0.51 -1.21 0.70 0.00 0.00 175.22 173.55 1wqp s GLU 4 N -3.57 3.75 0.03 0.44 2.02 -1.26 -4.85 118.70 115.25 1wqp s GLU 4 Ca 0.71 0.17 -0.07 0.00 0.02 0.00 0.00 54.97 55.80 1wqp s GLU 4 Cb -0.23 -2.69 -0.02 0.00 0.10 0.00 0.00 34.13 31.29 1wqp s GLU 4 CO 0.33 0.34 1.13 -0.09 0.02 0.00 0.00 175.26 176.98 1wqp h ARG 5 N 2.52 -0.04 -0.24 1.61 2.43 -1.96 -1.38 114.38 117.32 1wqp h ARG 5 Ca -0.47 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.67 1wqp h ARG 5 Cb 1.17 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1wqp h ARG 5 CO 0.70 -0.03 -0.00 0.00 -1.51 0.00 0.00 179.97 179.13 1wqp h GLU 7 N 0.35 0.48 -0.44 0.00 4.81 -1.85 -1.51 114.58 116.42 1wqp h GLU 7 Ca 0.08 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1wqp h GLU 7 Cb 0.24 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1wqp h GLU 7 CO 0.01 0.32 0.12 1.25 -0.73 0.00 0.00 179.01 179.97 1wqp h LEU 8 N 0.50 0.66 -0.58 1.64 5.85 -0.68 -2.30 115.31 120.39 1wqp h LEU 8 Ca 0.16 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.71 1wqp h LEU 8 Cb -0.01 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 1wqp h LEU 8 CO -0.07 0.71 0.29 0.00 -0.34 0.00 0.00 178.44 179.03 1wqp h ALA 9 N 0.97 0.75 -0.47 1.25 0.00 -0.92 -0.03 119.26 120.81 1wqp h ALA 9 Ca 0.14 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1wqp h ALA 9 Cb 0.30 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1wqp h ALA 9 CO -0.00 -0.06 -0.09 0.00 0.00 0.00 0.00 179.25 179.10 1wqp h ARG 10 N 0.55 0.85 -0.26 0.00 3.08 -1.18 -2.23 114.38 115.20 1wqp h ARG 10 Ca 0.26 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1wqp h ARG 10 Cb 0.19 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1wqp h ARG 10 CO -0.19 0.91 0.05 1.15 -1.07 0.00 0.00 179.97 180.83 1wqp h THR 11 N 0.77 1.22 -0.75 2.04 2.02 -0.80 -2.27 112.91 115.14 1wqp h THR 11 Ca 0.13 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 1wqp h THR 11 Cb 0.60 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 1wqp h THR 11 CO 0.04 0.24 0.35 -0.07 0.37 0.00 0.00 175.52 176.45 1wqp h LEU 12 N 0.24 0.97 -0.66 2.58 3.38 -0.94 -1.89 115.31 119.00 1wqp h LEU 12 Ca 0.08 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1wqp h LEU 12 Cb 0.30 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1wqp h LEU 12 CO 0.00 0.83 0.26 0.50 0.09 0.00 0.00 178.44 180.12 1wqp h LYS 13 N 1.07 0.99 0.00 1.13 3.64 -1.21 -1.82 116.57 120.37 1wqp h LYS 13 Ca 0.26 -0.18 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1wqp h LYS 13 Cb 0.12 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1wqp h LYS 13 CO -0.03 0.84 -0.32 -0.09 -2.27 0.00 0.00 179.45 177.58 1wqp h ARG 14 N 0.94 0.00 -0.09 1.90 2.43 -0.98 -1.42 114.38 117.15 1wqp h ARG 14 Ca 0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1wqp h ARG 14 Cb 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1wqp h ARG 14 CO -0.02 0.32 0.00 1.28 -1.51 0.00 0.00 179.97 180.04 1wqp n LEU 15 N -4.01 0.95 -1.09 3.80 4.77 -0.75 -4.92 117.00 115.75 1wqp n LEU 15 Ca -0.02 -0.39 -0.06 0.00 -0.03 0.00 0.00 56.01 55.51 1wqp n LEU 15 Cb 0.37 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1wqp n LEU 15 CO 0.37 0.20 0.03 0.61 -1.33 0.00 0.00 177.39 177.27 1wqp n GLY 16 N 0.99 0.48 0.11 -0.72 0.00 -0.54 -4.97 105.19 100.55 1wqp n GLY 16 Ca 0.15 -0.51 0.09 0.00 0.00 0.00 0.00 46.02 45.76 1wqp n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1wqp h MET 17 N -0.50 0.00 -6.10 1.61 2.86 -1.52 -3.41 114.93 107.87 1wqp h MET 17 Ca -0.14 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 56.95 1wqp h MET 17 Cb 1.09 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 1wqp h MET 17 CO 0.14 0.07 1.38 0.34 1.06 0.00 0.00 176.91 179.90 1wqp s ASP 18 N -5.49 5.56 0.00 1.22 2.15 -1.26 -1.88 116.67 116.97 1wqp s ASP 18 Ca -0.01 1.32 0.00 0.00 0.43 0.00 0.00 52.55 54.29 1wqp s ASP 18 Cb 0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1wqp s ASP 18 CO 0.79 -1.97 0.00 0.61 -0.17 0.00 0.00 175.17 174.43 1wqp n GLY 19 N 5.60 0.60 3.66 2.66 0.00 0.33 -4.88 105.19 113.16 1wqp n GLY 19 Ca 0.26 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1wqp n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wqp s TYR 20 N -2.00 1.79 -1.47 1.61 5.04 -0.79 -1.80 117.35 119.74 1wqp s TYR 20 Ca 0.00 0.04 -0.05 0.00 -2.44 0.00 0.00 57.07 54.62 1wqp s TYR 20 Cb 0.00 -4.00 0.02 0.00 0.35 0.00 0.00 41.96 38.33 1wqp s TYR 20 CO 0.00 -4.27 0.42 0.54 -1.34 0.00 0.00 175.55 170.90 1wqp n ARG 21 N 7.27 -3.79 -0.90 4.97 5.12 -1.26 -1.17 116.66 126.89 1wqp n ARG 21 Ca 0.18 0.79 0.00 0.00 -1.93 0.00 0.00 57.85 56.89 1wqp n ARG 21 Cb 0.42 -5.56 0.00 0.00 -1.16 0.00 0.00 32.46 26.16 1wqp n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wqp n GLY 22 N -1.29 0.74 3.55 -0.13 0.00 -0.74 -5.00 105.19 102.32 1wqp n GLY 22 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1wqp n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wqp s ILE 23 N -2.88 5.18 0.66 -0.61 1.01 -0.32 -4.89 121.20 119.36 1wqp s ILE 23 Ca 0.00 0.06 -0.16 0.00 0.00 0.00 0.00 60.65 60.55 1wqp s ILE 23 Cb 0.00 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.68 1wqp s ILE 23 CO 0.00 -0.06 1.16 -0.94 0.00 0.00 0.00 174.94 175.10 1wqp s SER 24 N 1.73 4.86 0.23 3.58 1.04 -1.26 -0.51 113.70 123.36 1wqp s SER 24 Ca 0.11 2.19 -0.07 0.00 0.48 0.00 0.00 55.95 58.67 1wqp s SER 24 Cb -0.17 -2.57 0.36 0.00 0.10 0.00 0.00 66.02 63.74 1wqp s SER 24 CO 0.11 -1.81 1.76 0.25 0.98 0.00 0.00 173.24 174.53 1wqp h LEU 25 N 0.14 0.35 -1.80 2.42 5.85 -1.90 -1.28 115.31 119.10 1wqp h LEU 25 Ca -0.48 0.08 0.11 0.00 0.84 0.00 0.00 57.88 58.43 1wqp h LEU 25 Cb 1.27 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 1wqp h LEU 25 CO 0.53 0.19 0.36 0.00 -0.34 0.00 0.00 178.44 179.17 1wqp h ALA 26 N 1.46 2.19 -0.18 1.25 0.00 -1.92 -0.40 119.26 121.66 1wqp h ALA 26 Ca 0.36 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.08 1wqp h ALA 26 Cb 0.44 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wqp h ALA 26 CO -0.32 -0.32 -0.61 -0.91 0.00 0.00 0.00 179.25 177.09 1wqp h ASN 27 N 0.22 0.72 -0.29 0.00 2.35 -1.56 -0.78 115.58 116.24 1wqp h ASN 27 Ca 0.24 -0.41 -0.12 0.00 -0.55 0.00 0.00 56.30 55.46 1wqp h ASN 27 Cb 0.67 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1wqp h ASN 27 CO -0.05 1.16 -0.25 -0.50 -1.65 0.00 0.00 177.43 176.14 1wqp h TRP 28 N 0.47 0.89 -0.41 1.19 4.06 -1.01 -1.20 115.95 119.95 1wqp h TRP 28 Ca -0.01 -0.21 -0.07 0.00 2.06 0.00 0.00 58.89 60.66 1wqp h TRP 28 Cb 1.19 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 29.13 1wqp h TRP 28 CO 0.06 0.95 -0.01 0.52 -3.56 0.00 0.00 178.44 176.39 1wqp h MET 29 N 0.67 0.74 -0.80 0.49 2.86 -1.00 -1.32 114.93 116.57 1wqp h MET 29 Ca 0.09 -0.24 -0.03 0.00 -2.06 0.00 0.00 59.70 57.46 1wqp h MET 29 Cb 0.77 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.33 1wqp h MET 29 CO 0.06 0.83 0.39 0.00 1.06 0.00 0.00 176.91 179.25 1wqp h LEU 31 N 1.13 -0.17 -1.19 0.00 5.85 -1.01 -2.35 115.31 117.58 1wqp h LEU 31 Ca 0.28 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.92 1wqp h LEU 31 Cb 0.11 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1wqp h LEU 31 CO -0.04 -0.02 0.55 0.00 -0.34 0.00 0.00 178.44 178.59 1wqp h ALA 32 N 0.52 1.42 0.11 1.25 0.00 -1.07 -0.37 119.26 121.12 1wqp h ALA 32 Ca -0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1wqp h ALA 32 Cb 0.25 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1wqp h ALA 32 CO 0.03 0.53 -0.06 -0.22 0.00 0.00 0.00 179.25 179.53 1wqp h LYS 33 N 1.11 -0.16 0.00 0.00 1.63 -1.07 -1.68 116.57 116.40 1wqp h LYS 33 Ca 0.31 0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 60.07 1wqp h LYS 33 Cb -0.11 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1wqp h LYS 33 CO -0.07 -0.11 -0.25 -1.49 -3.45 0.00 0.00 179.45 174.08 1wqp h TRP 34 N -0.17 0.00 0.07 1.91 4.06 -1.26 -1.83 115.95 118.74 1wqp h TRP 34 Ca -0.01 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.83 1wqp h TRP 34 Cb 0.14 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.31 1wqp h TRP 34 CO -0.08 0.25 -0.49 0.93 -3.56 0.00 0.00 178.44 175.49 1wqp h GLU 35 N 0.00 0.15 0.00 0.49 4.39 -0.99 -3.43 114.58 115.19 1wqp h GLU 35 Ca -0.00 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1wqp h GLU 35 Cb 1.15 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1wqp h GLU 35 CO 0.03 1.13 0.00 -1.13 -1.16 0.00 0.00 179.01 177.88 1wqp n SER 36 N -4.34 0.12 -1.23 1.42 3.41 -0.68 -4.84 113.62 107.48 1wqp n SER 36 Ca -0.13 -0.48 -0.09 0.00 -0.26 0.00 0.00 58.87 57.91 1wqp n SER 36 Cb 0.67 0.18 0.01 0.00 -0.26 0.00 0.00 64.21 64.80 1wqp n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wqp n GLY 37 N 0.18 0.14 2.33 5.00 0.00 -0.69 -2.89 105.19 109.25 1wqp n GLY 37 Ca 0.00 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 1wqp n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wqp n TYR 38 N -3.83 -0.61 -3.75 1.61 4.01 -1.17 -4.78 117.16 108.64 1wqp n TYR 38 Ca -0.06 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.31 1wqp n TYR 38 Cb 0.56 -3.15 -0.13 0.00 -0.31 0.00 0.00 39.34 36.31 1wqp n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1wqp s ASN 39 N -2.39 5.14 0.47 7.72 2.47 -1.14 -1.01 114.94 126.20 1wqp s ASN 39 Ca 0.00 -0.25 0.27 0.00 0.42 0.00 0.00 52.86 53.30 1wqp s ASN 39 Cb 0.00 -1.92 0.85 0.00 -1.45 0.00 0.00 41.25 38.72 1wqp s ASN 39 CO 0.00 -0.05 1.79 0.71 -3.72 0.00 0.00 177.10 175.83 1wqp h THR 40 N 5.57 0.18 -0.59 -5.21 1.35 -1.49 -3.13 112.91 109.58 1wqp h THR 40 Ca -0.38 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 1wqp h THR 40 Cb 1.17 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1wqp h THR 40 CO 0.58 0.08 0.00 -2.11 -0.25 0.00 0.00 175.52 173.82 1wqp n ARG 41 N -3.16 2.48 -2.07 4.72 1.85 -1.26 -4.05 116.66 115.16 1wqp n ARG 41 Ca 0.02 -2.28 -0.42 0.00 -1.00 0.00 0.00 57.85 54.17 1wqp n ARG 41 Cb 0.44 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.31 1wqp n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1wqp s ALA 42 N -1.22 3.65 0.02 2.89 0.00 -1.22 -4.81 121.76 121.07 1wqp s ALA 42 Ca 0.42 1.23 0.03 0.00 0.00 0.00 0.00 51.96 53.64 1wqp s ALA 42 Cb 0.23 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 1wqp s ALA 42 CO 0.30 -0.68 -0.08 0.95 0.00 0.00 0.00 175.76 176.25 1wqp s THR 43 N 0.76 0.62 -0.18 0.00 -4.23 -1.26 -0.36 115.64 110.98 1wqp s THR 43 Ca 0.64 -0.69 -0.05 0.00 -1.18 0.00 0.00 61.69 60.42 1wqp s THR 43 Cb -0.40 -0.59 0.07 0.00 1.34 0.00 0.00 72.50 72.92 1wqp s THR 43 CO 0.34 -0.07 0.11 0.21 -0.54 0.00 0.00 174.62 174.67 1wqp s ASN 44 N -0.83 2.29 0.02 3.99 2.47 -0.31 -4.96 114.94 117.61 1wqp s ASN 44 Ca -0.02 -0.61 -0.30 0.00 0.42 0.00 0.00 52.86 52.35 1wqp s ASN 44 Cb -0.06 -0.16 -0.04 0.00 -1.45 0.00 0.00 41.25 39.54 1wqp s ASN 44 CO 0.00 -0.35 1.00 0.12 -3.72 0.00 0.00 177.10 174.15 1wqp s PHE 45 N 2.16 3.65 -0.62 0.43 5.36 -1.26 -0.71 117.98 126.99 1wqp s PHE 45 Ca 0.03 1.67 -0.12 0.00 -0.96 0.00 0.00 56.93 57.55 1wqp s PHE 45 Cb -0.16 -3.15 0.16 0.00 -0.34 0.00 0.00 43.02 39.53 1wqp s PHE 45 CO -0.11 -0.12 0.53 -0.80 -1.46 0.00 0.00 175.22 173.25 1wqp s ASN 46 N 0.93 6.10 0.44 6.13 0.01 0.15 -4.94 114.94 123.76 1wqp s ASN 46 Ca 0.52 -2.23 0.18 0.00 -0.71 0.00 0.00 52.86 50.63 1wqp s ASN 46 Cb -0.22 -2.11 1.13 0.00 0.41 0.00 0.00 41.25 40.46 1wqp s ASN 46 CO 0.28 -0.67 1.91 0.00 -1.51 0.00 0.00 177.10 177.12 1wqp h ALA 47 N 8.20 2.23 -0.87 0.60 0.00 -1.95 0.59 119.26 128.06 1wqp h ALA 47 Ca -0.12 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1wqp h ALA 47 Cb 1.06 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1wqp h ALA 47 CO 0.86 -0.46 0.55 0.78 0.00 0.00 0.00 179.25 180.99 1wqp h GLY 48 N 0.34 1.28 0.00 0.00 0.00 -1.95 -3.27 103.07 99.47 1wqp h GLY 48 Ca 0.39 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1wqp h GLY 48 CO -0.11 0.33 0.00 2.09 0.00 0.00 0.00 176.54 178.84 1wqp n ASP 49 N -4.57 1.32 -1.17 0.19 5.75 -1.00 -5.01 116.55 112.06 1wqp n ASP 49 Ca 0.12 -1.52 -0.15 0.00 -0.01 0.00 0.00 54.79 53.22 1wqp n ASP 49 Cb 0.12 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.15 1wqp n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1wqp n ARG 50 N -0.26 -1.04 -3.62 0.11 1.74 0.17 -4.77 116.66 108.98 1wqp n ARG 50 Ca 0.00 1.00 -0.20 0.00 -0.77 0.00 0.00 57.85 57.88 1wqp n ARG 50 Cb 0.21 -5.14 -0.02 0.00 -1.02 0.00 0.00 32.46 26.50 1wqp n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wqp s SER 51 N -2.81 5.76 0.01 0.55 1.04 -1.22 -4.51 113.70 112.53 1wqp s SER 51 Ca 0.00 -0.27 0.04 0.00 0.48 0.00 0.00 55.95 56.19 1wqp s SER 51 Cb 0.00 -1.19 -0.01 0.00 0.10 0.00 0.00 66.02 64.92 1wqp s SER 51 CO 0.00 -0.38 -0.12 -0.89 0.98 0.00 0.00 173.24 172.83 1wqp s THR 52 N -2.20 0.94 -0.16 2.02 2.01 -1.26 -0.68 115.64 116.31 1wqp s THR 52 Ca 0.43 -0.71 -0.14 0.00 0.31 0.00 0.00 61.69 61.58 1wqp s THR 52 Cb -0.08 -0.83 -0.05 0.00 0.01 0.00 0.00 72.50 71.55 1wqp s THR 52 CO 0.29 0.11 0.29 -1.81 -0.69 0.00 0.00 174.62 172.82 1wqp s ASP 53 N -0.68 6.43 -0.06 3.53 1.01 0.11 -1.42 116.67 125.60 1wqp s ASP 53 Ca 0.02 0.51 0.06 0.00 0.71 0.00 0.00 52.55 53.85 1wqp s ASP 53 Cb -0.06 -2.18 -0.01 0.00 1.01 0.00 0.00 42.92 41.68 1wqp s ASP 53 CO 0.00 0.11 -0.24 -0.31 0.21 0.00 0.00 175.17 174.94 1wqp s TYR 54 N 0.43 2.46 0.00 4.23 1.51 -0.11 -1.16 117.35 124.70 1wqp s TYR 54 Ca 0.16 -0.68 0.00 0.00 -1.01 0.00 0.00 57.07 55.55 1wqp s TYR 54 Cb -0.13 -1.60 0.00 0.00 -0.11 0.00 0.00 41.96 40.12 1wqp s TYR 54 CO 0.04 -0.19 0.00 0.41 -1.11 0.00 0.00 175.55 174.70 1wqp n GLY 55 N 2.91 -1.40 0.35 0.71 0.00 0.52 -1.72 105.19 106.55 1wqp n GLY 55 Ca -0.17 -1.25 0.13 0.00 0.00 0.00 0.00 46.02 44.73 1wqp n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1wqp h ILE 56 N 0.00 0.87 -0.19 -0.61 2.10 -1.68 -1.06 117.51 116.94 1wqp h ILE 56 Ca 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.84 1wqp h ILE 56 Cb 0.00 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 36.30 1wqp h ILE 56 CO 0.00 0.05 0.00 0.49 -1.08 0.00 0.00 178.15 177.61 1wqp n PHE 57 N -4.46 0.23 -3.75 2.19 3.72 -1.26 -3.99 117.46 110.14 1wqp n PHE 57 Ca 0.08 -0.14 -0.30 0.00 -0.05 0.00 0.00 57.45 57.05 1wqp n PHE 57 Cb 0.39 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.95 1wqp n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1wqp n GLN 58 N 1.15 -1.90 -2.66 -1.08 1.13 -0.40 -4.92 117.38 108.71 1wqp n GLN 58 Ca 0.14 0.45 -0.42 0.00 -1.94 0.00 0.00 57.00 55.23 1wqp n GLN 58 Cb 0.51 -4.25 -0.03 0.00 0.11 0.00 0.00 30.24 26.58 1wqp n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1wqp s ILE 59 N -3.59 4.72 0.12 5.09 1.01 -0.70 -4.44 121.20 123.41 1wqp s ILE 59 Ca 0.34 1.95 -0.30 0.00 0.00 0.00 0.00 60.65 62.65 1wqp s ILE 59 Cb -0.12 -4.25 -0.06 0.00 0.01 0.00 0.00 42.46 38.03 1wqp s ILE 59 CO 0.87 0.14 1.04 0.21 0.00 0.00 0.00 174.94 177.20 1wqp s ASN 60 N 1.03 7.35 0.15 3.58 3.84 -1.26 -0.94 114.94 128.69 1wqp s ASN 60 Ca 0.53 1.93 0.21 0.00 0.21 0.00 0.00 52.86 55.74 1wqp s ASN 60 Cb -0.22 -2.59 0.86 0.00 -0.55 0.00 0.00 41.25 38.74 1wqp s ASN 60 CO 0.28 -0.18 1.64 -1.54 -2.79 0.00 0.00 177.10 174.50 1wqp n SER 61 N 2.82 0.41 0.14 -4.21 3.41 -0.51 -2.08 113.62 113.60 1wqp n SER 61 Ca 0.03 0.59 -0.01 0.00 -0.26 0.00 0.00 58.87 59.22 1wqp n SER 61 Cb 0.48 -0.68 0.19 0.00 -0.26 0.00 0.00 64.21 63.94 1wqp n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1wqp h ARG 62 N 0.00 0.04 0.00 4.33 2.43 -1.84 -3.40 114.38 115.94 1wqp h ARG 62 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1wqp h ARG 62 Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1wqp h ARG 62 CO 0.00 0.60 -0.84 0.66 -1.51 0.00 0.00 179.97 178.88 1wqp n TYR 63 N -3.87 0.00 -0.05 2.20 4.01 -1.20 -0.23 117.16 118.03 1wqp n TYR 63 Ca -0.01 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.57 1wqp n TYR 63 Cb 0.58 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.47 1wqp n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1wqp n TRP 64 N -2.20 0.72 -4.22 -0.72 7.02 -0.89 -0.77 117.44 116.38 1wqp n TRP 64 Ca 0.00 0.19 -0.13 0.00 -1.02 0.00 0.00 57.50 56.54 1wqp n TRP 64 Cb 0.42 -1.11 -0.10 0.00 -2.42 0.00 0.00 31.31 28.10 1wqp n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1wqp s ASN 66 N -3.14 5.11 0.00 0.00 2.47 -0.40 -4.53 114.94 114.45 1wqp s ASN 66 Ca 0.20 -0.15 0.00 0.00 0.42 0.00 0.00 52.86 53.33 1wqp s ASN 66 Cb 0.05 -1.89 0.00 0.00 -1.45 0.00 0.00 41.25 37.97 1wqp s ASN 66 CO 0.01 0.04 0.61 -0.90 -3.72 0.00 0.00 177.10 173.15 1wqp n ASP 67 N 4.39 1.23 0.00 -4.21 5.68 -1.26 -1.47 116.55 120.90 1wqp n ASP 67 Ca -0.17 -1.21 0.00 0.00 -0.50 0.00 0.00 54.79 52.91 1wqp n ASP 67 Cb 0.52 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1wqp n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wqp n GLY 68 N -0.08 1.67 0.46 6.12 0.00 -1.26 -4.72 105.19 107.38 1wqp n GLY 68 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1wqp n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wqp n LYS 69 N -1.60 1.40 -2.92 1.61 2.85 -1.26 -4.93 118.16 113.31 1wqp n LYS 69 Ca 0.00 -0.95 -0.41 0.00 -1.05 0.00 0.00 58.31 55.90 1wqp n LYS 69 Cb 0.00 -1.41 -0.04 0.00 -0.65 0.00 0.00 35.03 32.93 1wqp n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1wqp s THR 70 N -2.26 4.93 0.28 0.58 2.01 -1.26 -4.99 115.64 114.92 1wqp s THR 70 Ca 0.17 1.60 -0.29 0.00 0.31 0.00 0.00 61.69 63.47 1wqp s THR 70 Cb 0.16 -4.12 -0.10 0.00 0.01 0.00 0.00 72.50 68.45 1wqp s THR 70 CO 0.51 0.09 1.37 -2.84 -0.69 0.00 0.00 174.62 173.06 1wqp s PRO 71 N 1.73 4.31 -1.41 4.92 0.02 -1.26 -3.53 135.00 139.78 1wqp s PRO 71 Ca 0.39 2.25 -0.11 0.00 0.02 0.00 0.00 61.00 63.54 1wqp s PRO 71 Cb -0.17 -3.10 0.08 0.00 0.02 0.00 0.00 34.50 31.33 1wqp s PRO 71 CO 0.15 -0.31 0.64 0.41 -0.33 0.00 0.00 177.00 177.56 1wqp n GLY 72 N 1.60 -0.49 3.91 0.52 0.00 -1.26 -4.95 105.19 104.53 1wqp n GLY 72 Ca 0.04 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1wqp n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqp s ALA 73 N -3.07 3.73 0.47 4.61 0.00 -1.23 -4.99 121.76 121.28 1wqp s ALA 73 Ca 0.49 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 51.86 1wqp s ALA 73 Cb -0.25 -2.16 -0.02 0.00 0.00 0.00 0.00 23.12 20.68 1wqp s ALA 73 CO 0.60 0.42 0.18 0.14 0.00 0.00 0.00 175.76 177.11 1wqp s VAL 74 N -1.90 1.88 -0.46 0.00 -7.23 0.68 -4.99 120.40 108.39 1wqp s VAL 74 Ca 0.42 -1.73 0.07 0.00 -1.81 0.00 0.00 61.98 58.92 1wqp s VAL 74 Cb -0.11 -2.61 0.24 0.00 0.56 0.00 0.00 36.38 34.45 1wqp s VAL 74 CO 0.28 0.00 0.54 -3.20 -0.31 0.00 0.00 175.10 172.41 1wqp n ASN 75 N -1.35 0.93 -0.16 4.85 5.15 -1.22 -3.91 115.26 119.55 1wqp n ASN 75 Ca -0.05 -2.82 0.01 0.00 -0.60 0.00 0.00 54.58 51.11 1wqp n ASN 75 Cb 0.65 -0.64 0.27 0.00 -0.53 0.00 0.00 39.78 39.53 1wqp n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wqp h ALA 76 N 4.29 1.46 0.00 5.20 0.00 -0.95 -0.71 119.26 128.56 1wqp h ALA 76 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1wqp h ALA 76 Cb 0.83 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1wqp h ALA 76 CO 0.54 0.47 0.00 0.00 0.00 0.00 0.00 179.25 180.25 1wqp n HIS 78 N -1.37 -1.93 -4.00 0.00 -0.00 -0.27 -4.99 115.22 102.66 1wqp n HIS 78 Ca 0.11 0.62 -0.08 0.00 -0.00 0.00 0.00 57.72 58.37 1wqp n HIS 78 Cb 0.28 -3.77 -0.10 0.00 -0.00 0.00 0.00 29.99 26.40 1wqp n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1wqp s LEU 79 N -6.48 2.18 0.28 2.41 1.43 -1.26 -5.08 118.68 112.16 1wqp s LEU 79 Ca 0.30 -0.68 -0.26 0.00 -1.03 0.00 0.00 54.13 52.46 1wqp s LEU 79 Cb -0.09 0.30 -0.09 0.00 0.03 0.00 0.00 46.19 46.33 1wqp s LEU 79 CO 0.84 -0.47 0.90 -0.55 0.23 0.00 0.00 176.35 177.31 1wqp s SER 80 N -2.17 7.38 0.64 2.29 0.15 -1.26 -1.27 113.70 119.45 1wqp s SER 80 Ca -0.05 1.80 0.41 0.00 0.70 0.00 0.00 55.95 58.81 1wqp s SER 80 Cb -0.01 -2.56 2.17 0.00 -1.71 0.00 0.00 66.02 63.91 1wqp s SER 80 CO -0.05 0.02 2.29 0.00 1.20 0.00 0.00 173.24 176.69 1wqp h SER 82 N 0.00 0.35 -0.06 0.00 0.87 -1.91 -1.29 113.55 111.51 1wqp h SER 82 Ca -0.00 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.57 1wqp h SER 82 Cb 0.11 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1wqp h SER 82 CO 0.00 0.24 0.04 0.00 -0.53 0.00 0.00 176.83 176.59 1wqp h ALA 83 N 1.79 1.97 -0.24 6.23 0.00 -1.56 -1.25 119.26 126.21 1wqp h ALA 83 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1wqp h ALA 83 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1wqp h ALA 83 CO -0.03 -0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.42 1wqp n LEU 84 N -4.39 1.47 -0.21 0.00 4.77 -0.49 -3.45 117.00 114.69 1wqp n LEU 84 Ca -0.02 -0.74 0.02 0.00 -0.03 0.00 0.00 56.01 55.25 1wqp n LEU 84 Cb 0.15 -0.22 0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1wqp n LEU 84 CO 0.33 0.33 0.55 0.18 -1.33 0.00 0.00 177.39 177.45 1wqp n LEU 85 N 0.21 2.33 -4.88 2.23 4.77 -0.47 -3.34 117.00 117.85 1wqp n LEU 85 Ca 0.08 -2.05 -0.30 0.00 -0.03 0.00 0.00 56.01 53.71 1wqp n LEU 85 Cb 0.25 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1wqp n LEU 85 CO 0.06 0.58 0.73 -1.10 -1.33 0.00 0.00 177.39 176.34 1wqp s GLN 86 N -1.09 3.21 0.15 3.23 -0.21 -1.22 -4.54 119.66 119.20 1wqp s GLN 86 Ca 0.09 0.59 -0.02 0.00 0.02 0.00 0.00 55.36 56.04 1wqp s GLN 86 Cb 0.05 -2.05 -0.02 0.00 1.00 0.00 0.00 33.01 31.99 1wqp s GLN 86 CO 0.05 -0.81 1.37 -0.44 -2.12 0.00 0.00 175.29 173.34 1wqp h ASP 87 N -0.49 0.44 -3.27 5.90 5.19 -1.93 -3.41 116.42 118.86 1wqp h ASP 87 Ca -0.44 -0.33 -0.57 0.00 -0.62 0.00 0.00 57.03 55.06 1wqp h ASP 87 Cb 1.22 -0.13 -0.06 0.00 0.18 0.00 0.00 39.33 40.54 1wqp h ASP 87 CO 0.63 1.11 0.85 0.21 -3.12 0.00 0.00 179.24 178.92 1wqp s ASN 88 N -7.01 6.94 -0.03 6.45 3.84 -1.26 -4.93 114.94 118.95 1wqp s ASN 88 Ca -0.05 1.11 0.07 0.00 0.21 0.00 0.00 52.86 54.20 1wqp s ASN 88 Cb 0.10 -2.54 0.26 0.00 -0.55 0.00 0.00 41.25 38.52 1wqp s ASN 88 CO 0.85 -0.86 1.12 2.30 -2.79 0.00 0.00 177.10 177.71 1wqp n ILE 89 N 5.81 0.60 -0.10 -5.21 -5.35 -1.26 -4.44 119.36 109.41 1wqp n ILE 89 Ca 0.12 -0.42 -0.06 0.00 -0.27 0.00 0.00 62.75 62.13 1wqp n ILE 89 Cb 0.47 -0.03 0.02 0.00 -1.74 0.00 0.00 39.64 38.35 1wqp n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wqp h ALA 90 N 3.23 0.35 -0.37 -1.28 0.00 -1.95 -0.47 119.26 118.76 1wqp h ALA 90 Ca 0.00 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1wqp h ALA 90 Cb 0.61 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1wqp h ALA 90 CO 0.06 -0.36 -0.21 -0.44 0.00 0.00 0.00 179.25 178.30 1wqp h ASP 91 N 0.15 0.74 -0.44 0.00 3.32 -1.88 -2.05 116.42 116.26 1wqp h ASP 91 Ca 0.17 -0.26 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 1wqp h ASP 91 Cb 0.21 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1wqp h ASP 91 CO -0.24 0.94 0.02 0.00 -1.72 0.00 0.00 179.24 178.23 1wqp h ALA 92 N 1.12 1.09 -0.35 3.45 0.00 -1.68 -1.57 119.26 121.32 1wqp h ALA 92 Ca 0.09 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 1wqp h ALA 92 Cb 0.71 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1wqp h ALA 92 CO 0.05 0.58 -0.45 0.28 0.00 0.00 0.00 179.25 179.72 1wqp h VAL 93 N 0.78 1.27 -0.57 0.00 2.07 -0.94 -0.67 116.25 118.19 1wqp h VAL 93 Ca 0.15 -1.62 -0.05 0.00 0.82 0.00 0.00 66.70 66.00 1wqp h VAL 93 Cb 0.44 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 1wqp h VAL 93 CO 0.02 0.54 0.17 0.00 0.02 0.00 0.00 177.57 178.31 1wqp h ALA 94 N 0.75 1.22 -0.10 1.67 0.00 -1.11 -0.72 119.26 120.97 1wqp h ALA 94 Ca 0.04 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.55 1wqp h ALA 94 Cb 1.04 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1wqp h ALA 94 CO 0.10 0.55 -0.79 0.00 0.00 0.00 0.00 179.25 179.11 1wqp h ALA 96 N 0.72 1.23 -0.85 0.00 0.00 -0.74 -0.48 119.26 119.14 1wqp h ALA 96 Ca -0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1wqp h ALA 96 Cb 1.40 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1wqp h ALA 96 CO 0.15 0.60 0.41 0.87 0.00 0.00 0.00 179.25 181.28 1wqp h LYS 97 N 1.08 1.23 -0.32 0.00 1.57 -1.05 -2.36 116.57 116.72 1wqp h LYS 97 Ca 0.26 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1wqp h LYS 97 Cb 0.09 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1wqp h LYS 97 CO -0.04 0.94 0.15 -0.09 -0.57 0.00 0.00 179.45 179.84 1wqp h ARG 98 N 1.22 0.46 -0.21 3.15 9.65 -0.97 -2.80 114.38 124.87 1wqp h ARG 98 Ca 0.29 -0.07 0.05 0.00 -1.10 0.00 0.00 59.98 59.15 1wqp h ARG 98 Cb 0.12 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.56 1wqp h ARG 98 CO -0.04 0.44 -0.14 0.28 2.80 0.00 0.00 179.97 183.31 1wqp h VAL 99 N 0.37 0.58 0.00 0.20 2.07 -0.67 -1.95 116.25 116.86 1wqp h VAL 99 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1wqp h VAL 99 Cb 0.13 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1wqp h VAL 99 CO -0.01 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.91 1wqp n VAL 100 N -5.30 0.22 0.56 2.57 0.24 -0.93 -2.47 118.33 113.22 1wqp n VAL 100 Ca -0.01 0.05 0.13 0.00 -2.04 0.00 0.00 64.34 62.47 1wqp n VAL 100 Cb 0.22 -0.69 0.44 0.00 -1.47 0.00 0.00 33.84 32.34 1wqp n VAL 100 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1wqp n ARG 101 N -1.20 0.23 -1.83 7.34 0.63 -0.73 -4.17 116.66 116.93 1wqp n ARG 101 Ca 0.13 0.27 -0.31 0.00 -0.92 0.00 0.00 57.85 57.02 1wqp n ARG 101 Cb 0.15 -1.82 0.02 0.00 0.45 0.00 0.00 32.46 31.26 1wqp n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1wqp s ASP 102 N -4.39 5.92 0.37 6.15 1.11 -1.03 -4.96 116.67 119.84 1wqp s ASP 102 Ca 0.09 1.54 0.16 0.00 0.18 0.00 0.00 52.55 54.51 1wqp s ASP 102 Cb 0.12 -2.49 1.04 0.00 1.07 0.00 0.00 42.92 42.66 1wqp s ASP 102 CO 0.53 -1.07 1.74 1.55 1.18 0.00 0.00 175.17 179.10 1wqp h PRO 103 N -0.28 0.43 -0.15 8.23 0.13 -1.89 -1.32 132.00 137.15 1wqp h PRO 103 Ca -0.44 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1wqp h PRO 103 Cb 1.20 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1wqp h PRO 103 CO 0.60 0.28 -0.08 1.96 -0.23 0.00 0.00 178.00 180.53 1wqp h GLN 104 N 0.44 0.22 0.00 0.86 4.20 -1.91 -3.48 115.11 115.45 1wqp h GLN 104 Ca 0.63 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.30 1wqp h GLN 104 Cb 1.47 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.22 1wqp h GLN 104 CO -0.38 0.32 0.00 0.41 -0.67 0.00 0.00 178.83 178.51 1wqp n GLY 105 N -1.02 2.03 0.30 3.46 0.00 -0.50 -2.34 105.19 107.12 1wqp n GLY 105 Ca -0.01 -0.54 0.18 0.00 0.00 0.00 0.00 46.02 45.66 1wqp n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1wqp h ILE 106 N 0.00 0.17 0.00 -0.61 6.09 -1.91 -2.70 117.51 118.56 1wqp h ILE 106 Ca 0.00 -0.30 0.00 0.00 -1.37 0.00 0.00 64.86 63.19 1wqp h ILE 106 Cb 0.00 1.25 0.00 0.00 0.47 0.00 0.00 36.82 38.54 1wqp h ILE 106 CO 0.00 0.03 0.00 0.54 -3.07 0.00 0.00 178.15 175.65 1wqp n ARG 107 N -3.26 0.02 0.19 2.19 1.74 -0.99 -2.80 116.66 113.75 1wqp n ARG 107 Ca -0.02 0.33 0.10 0.00 -0.77 0.00 0.00 57.85 57.50 1wqp n ARG 107 Cb 0.19 -1.50 0.63 0.00 -1.02 0.00 0.00 32.46 30.76 1wqp n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wqp h ALA 108 N 2.31 2.07 -2.44 7.54 0.00 -1.65 -3.37 119.26 123.72 1wqp h ALA 108 Ca 0.00 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 1wqp h ALA 108 Cb 0.14 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.78 1wqp h ALA 108 CO 0.00 -0.10 0.01 -1.58 0.00 0.00 0.00 179.25 177.58 1wqp s TRP 109 N -5.09 3.19 0.38 0.00 0.51 -1.12 -4.94 118.94 111.86 1wqp s TRP 109 Ca -0.05 0.32 0.06 0.00 -2.12 0.00 0.00 56.10 54.31 1wqp s TRP 109 Cb 0.18 -2.94 0.75 0.00 -0.81 0.00 0.00 33.47 30.64 1wqp s TRP 109 CO 0.69 -0.51 1.96 0.28 -0.51 0.00 0.00 176.95 178.86 1wqp h VAL 110 N 5.59 1.15 -0.20 4.03 2.07 -1.89 -2.08 116.25 124.92 1wqp h VAL 110 Ca -0.28 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 66.74 1wqp h VAL 110 Cb 1.12 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1wqp h VAL 110 CO 0.78 0.19 0.14 0.00 0.02 0.00 0.00 177.57 178.69 1wqp h ALA 111 N 1.63 1.92 -0.54 1.67 0.00 -1.93 -1.41 119.26 120.60 1wqp h ALA 111 Ca 0.11 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1wqp h ALA 111 Cb 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1wqp h ALA 111 CO -0.01 0.06 0.14 2.35 0.00 0.00 0.00 179.25 181.79 1wqp h TRP 112 N 0.22 0.90 -0.61 0.00 7.01 -1.70 0.04 115.95 121.80 1wqp h TRP 112 Ca 0.08 -0.10 -0.04 0.00 2.11 0.00 0.00 58.89 60.94 1wqp h TRP 112 Cb 0.06 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 26.83 1wqp h TRP 112 CO -0.00 0.78 0.22 0.00 -2.79 0.00 0.00 178.44 176.65 1wqp h ARG 113 N 0.76 0.93 -0.08 2.65 3.08 -1.31 0.17 114.38 120.57 1wqp h ARG 113 Ca 0.17 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1wqp h ARG 113 Cb 0.32 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1wqp h ARG 113 CO -0.00 0.81 -0.12 -0.91 -1.07 0.00 0.00 179.97 178.68 1wqp h ASN 114 N 0.87 0.25 -0.00 7.04 2.35 -1.19 -3.35 115.58 121.55 1wqp h ASN 114 Ca 0.20 -0.52 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 1wqp h ASN 114 Cb 0.24 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1wqp h ASN 114 CO -0.01 0.72 -0.49 0.54 -1.65 0.00 0.00 177.43 176.54 1wqp n ARG 115 N -4.64 2.17 0.00 0.81 5.12 -0.02 -4.83 116.66 115.27 1wqp n ARG 115 Ca -0.07 -0.34 0.00 0.00 -1.93 0.00 0.00 57.85 55.51 1wqp n ARG 115 Cb 0.35 -1.18 0.00 0.00 -1.16 0.00 0.00 32.46 30.47 1wqp n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wqp n GLN 117 N -2.44 1.70 -1.46 0.00 7.27 0.04 -2.03 117.38 120.46 1wqp n GLN 117 Ca 0.00 0.61 -0.16 0.00 0.07 0.00 0.00 57.00 57.52 1wqp n GLN 117 Cb 0.40 -2.33 -0.07 0.00 2.41 0.00 0.00 30.24 30.65 1wqp n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1wqp n ASN 118 N 3.10 -4.92 -4.71 1.69 5.03 -1.26 -4.96 115.26 109.22 1wqp n ASN 118 Ca 0.18 0.39 -0.25 0.00 0.87 0.00 0.00 54.58 55.77 1wqp n ASN 118 Cb 0.24 -3.82 -0.08 0.00 -1.02 0.00 0.00 39.78 35.10 1wqp n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1wqp s ARG 119 N -3.35 2.18 -0.65 3.52 0.52 -0.86 -5.07 118.95 115.25 1wqp s ARG 119 Ca 0.00 -1.86 -0.24 0.00 -0.52 0.00 0.00 55.73 53.11 1wqp s ARG 119 Cb 0.00 -1.94 0.06 0.00 0.52 0.00 0.00 34.95 33.59 1wqp s ARG 119 CO 0.00 -0.07 1.02 0.34 0.02 0.00 0.00 175.30 176.61 1wqp s ASP 120 N -3.86 6.21 0.00 0.23 -1.08 -1.26 -4.86 116.67 112.05 1wqp s ASP 120 Ca 0.39 -0.74 0.21 0.00 -0.52 0.00 0.00 52.55 51.89 1wqp s ASP 120 Cb 0.04 -2.45 0.53 0.00 -1.46 0.00 0.00 42.92 39.58 1wqp s ASP 120 CO 0.22 -1.47 1.44 1.33 0.52 0.00 0.00 175.17 177.22 1wqp n VAL 121 N 6.07 0.54 -0.36 1.11 0.24 -1.26 -4.48 118.33 120.19 1wqp n VAL 121 Ca -0.01 -0.67 0.07 0.00 -2.04 0.00 0.00 64.34 61.69 1wqp n VAL 121 Cb 0.47 0.62 0.24 0.00 -1.47 0.00 0.00 33.84 33.70 1wqp n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1wqp h ARG 122 N 3.56 0.96 -0.48 7.34 3.08 -1.92 -2.33 114.38 124.60 1wqp h ARG 122 Ca 0.00 -0.06 0.14 0.00 0.07 0.00 0.00 59.98 60.13 1wqp h ARG 122 Cb 0.80 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1wqp h ARG 122 CO 0.00 0.64 0.51 -0.56 -1.07 0.00 0.00 179.97 179.49 1wqp h GLN 123 N 0.99 0.00 0.00 0.04 3.07 -1.97 -1.27 115.11 115.97 1wqp h GLN 123 Ca 0.49 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 59.18 1wqp h GLN 123 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.04 1wqp h GLN 123 CO -0.26 0.00 -0.26 1.88 0.09 0.00 0.00 178.83 180.28 1wqp h TYR 124 N 0.00 0.00 -0.02 0.06 0.05 -1.76 -3.27 116.97 112.03 1wqp h TYR 124 Ca 0.23 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.01 1wqp h TYR 124 Cb 1.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.99 1wqp h TYR 124 CO 0.00 0.26 0.00 1.33 -1.05 0.00 0.00 178.16 178.70 1wqp n VAL 125 N -3.42 0.17 -1.96 -2.88 0.24 -0.53 -4.83 118.33 105.12 1wqp n VAL 125 Ca 0.00 -0.58 -0.42 0.00 -2.04 0.00 0.00 64.34 61.30 1wqp n VAL 125 Cb 0.45 0.96 -0.03 0.00 -1.47 0.00 0.00 33.84 33.75 1wqp n VAL 125 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1wqp s GLN 126 N -0.36 4.21 0.00 7.34 2.00 -0.89 -2.50 119.66 129.47 1wqp s GLN 126 Ca 0.04 2.30 0.00 0.00 -2.00 0.00 0.00 55.36 55.70 1wqp s GLN 126 Cb 0.02 -3.45 0.00 0.00 0.80 0.00 0.00 33.01 30.38 1wqp s GLN 126 CO 0.03 -0.67 0.00 0.41 -0.50 0.00 0.00 175.29 174.56 1wqp n GLY 127 N 3.88 0.88 0.05 2.59 0.00 -1.26 -4.92 105.19 106.42 1wqp n GLY 127 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1wqp n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqp n GLY 129 N 1.41 0.08 0.02 0.00 0.00 -1.26 -4.83 105.19 100.61 1wqp n GLY 129 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1wqp n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65