#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hyb s SER -8 N 0.00 2.85 -0.15 4.04 0.15 -1.26 -5.02 113.70 114.30 3hyb s SER -8 Ca 0.00 -0.63 0.16 0.00 0.70 0.00 0.00 55.95 56.18 3hyb s SER -8 Cb 0.00 -1.05 0.43 0.00 -1.71 0.00 0.00 66.02 63.69 3hyb s SER -8 CO 0.00 -0.13 1.20 0.61 1.20 0.00 0.00 173.24 176.11 3hyb n GLY -7 N 4.81 3.80 0.12 9.45 0.00 -1.26 -4.32 105.19 117.80 3hyb n GLY -7 Ca -0.14 -1.28 0.12 0.00 0.00 0.00 0.00 46.02 44.72 3hyb n GLY -7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hyb h LEU -6 N 1.19 0.00 -9.57 0.99 3.38 -2.09 -3.47 115.31 105.74 3hyb h LEU -6 Ca -0.05 -0.07 -0.55 0.00 0.09 0.00 0.00 57.88 57.31 3hyb h LEU -6 Cb 1.34 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.05 3hyb h LEU -6 CO 0.11 0.03 0.14 0.54 0.09 0.00 0.00 178.44 179.35 3hyb s VAL -5 N -3.24 4.70 0.47 1.22 0.11 -1.26 -5.04 120.40 117.36 3hyb s VAL -5 Ca 0.05 1.58 -0.24 0.00 -2.93 0.00 0.00 61.98 60.44 3hyb s VAL -5 Cb 0.10 -4.09 -0.07 0.00 -1.53 0.00 0.00 36.38 30.79 3hyb s VAL -5 CO 0.72 0.40 1.29 -2.84 -3.33 0.00 0.00 175.10 171.34 3hyb s PRO -4 N -0.27 3.64 0.36 1.54 0.02 -1.26 -4.94 135.00 134.09 3hyb s PRO -4 Ca 0.37 2.10 0.10 0.00 0.02 0.00 0.00 61.00 63.59 3hyb s PRO -4 Cb -0.21 -2.51 0.69 0.00 0.02 0.00 0.00 34.50 32.50 3hyb s PRO -4 CO 0.23 -0.75 1.84 0.07 -0.33 0.00 0.00 177.00 178.06 3hyb h ARG -3 N 2.12 0.14 -4.78 5.54 -0.00 -1.98 -3.46 114.38 111.95 3hyb h ARG -3 Ca -0.50 -0.05 -0.31 0.00 -0.00 0.00 0.00 59.98 59.12 3hyb h ARG -3 Cb 1.26 -0.01 -0.15 0.00 -0.00 0.00 0.00 29.97 31.08 3hyb h ARG -3 CO 0.60 0.42 -0.62 0.20 -0.00 0.00 0.00 179.97 180.57 3hyb s GLY -2 N -4.19 1.59 0.00 0.08 0.00 -1.26 -5.04 107.32 98.50 3hyb s GLY -2 Ca -0.04 -1.79 0.26 0.00 0.00 0.00 0.00 44.72 43.15 3hyb s GLY -2 CO 0.74 -1.53 1.56 -1.14 0.00 0.00 0.00 173.10 172.72 3hyb n SER -1 N -0.38 0.39 -2.26 1.64 3.41 -1.26 -4.98 113.62 110.17 3hyb n SER -1 Ca -0.00 -0.08 -0.16 0.00 -0.26 0.00 0.00 58.87 58.36 3hyb n SER -1 Cb 0.66 0.05 0.03 0.00 -0.26 0.00 0.00 64.21 64.69 3hyb n SER -1 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3hyb n HIS 0 N -1.47 -1.45 -3.67 7.33 8.25 -1.26 -4.99 115.22 117.96 3hyb n HIS 0 Ca 0.06 0.39 -0.38 0.00 -0.26 0.00 0.00 57.72 57.54 3hyb n HIS 0 Cb 0.34 -3.56 -0.09 0.00 1.12 0.00 0.00 29.99 27.80 3hyb n HIS 0 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3hyb s MET 1 N -5.40 2.72 -0.89 -0.41 -1.94 -1.26 -5.00 119.30 107.13 3hyb s MET 1 Ca 0.23 -2.55 -0.23 0.00 -1.71 0.00 0.00 55.69 51.42 3hyb s MET 1 Cb -0.10 -3.83 0.06 0.00 2.01 0.00 0.00 34.83 32.97 3hyb s MET 1 CO 0.28 -1.19 1.30 1.21 -0.01 0.00 0.00 175.02 176.61 3hyb s ASN 2 N 0.83 6.39 0.06 3.03 3.04 -1.26 -4.86 114.94 122.17 3hyb s ASN 2 Ca 0.17 -1.22 -0.18 0.00 0.04 0.00 0.00 52.86 51.67 3hyb s ASN 2 Cb -0.19 -2.52 -0.12 0.00 -1.54 0.00 0.00 41.25 36.88 3hyb s ASN 2 CO -0.04 -1.52 1.37 -0.07 -3.04 0.00 0.00 177.10 173.80 3hyb h LEU 3 N 12.31 0.54 -1.12 3.21 3.38 -1.98 -0.51 115.31 131.13 3hyb h LEU 3 Ca 0.01 -0.49 -0.08 0.00 0.09 0.00 0.00 57.88 57.41 3hyb h LEU 3 Cb 1.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3hyb h LEU 3 CO 1.31 0.91 -0.26 0.07 0.09 0.00 0.00 178.44 180.56 3hyb h LYS 4 N 0.17 0.29 -0.61 1.13 2.10 -1.99 -0.73 116.57 116.93 3hyb h LYS 4 Ca 0.03 -0.10 -0.07 0.00 -2.00 0.00 0.00 60.65 58.51 3hyb h LYS 4 Cb 0.77 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.05 3hyb h LYS 4 CO 0.05 0.54 0.11 0.37 -2.00 0.00 0.00 179.45 178.52 3hyb h GLN 5 N 0.26 1.01 -0.50 0.07 5.75 -1.91 -1.37 115.11 118.42 3hyb h GLN 5 Ca 0.04 -0.26 -0.08 0.00 -0.15 0.00 0.00 58.65 58.20 3hyb h GLN 5 Cb 0.60 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.01 3hyb h GLN 5 CO 0.04 0.94 -0.00 0.82 -2.65 0.00 0.00 178.83 177.98 3hyb h ILE 6 N 0.92 1.26 -0.01 2.39 2.04 -0.86 0.10 117.51 123.36 3hyb h ILE 6 Ca 0.19 -1.09 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 3hyb h ILE 6 Cb 0.41 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3hyb h ILE 6 CO 0.01 0.38 -0.00 0.00 0.00 0.00 0.00 178.15 178.54 3hyb h ALA 7 N 0.94 0.01 -0.52 1.87 0.00 -1.14 0.13 119.26 120.54 3hyb h ALA 7 Ca 0.14 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.00 3hyb h ALA 7 Cb 0.52 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 3hyb h ALA 7 CO 0.03 -0.33 -0.08 -0.22 0.00 0.00 0.00 179.25 178.65 3hyb h LYS 8 N -0.31 0.04 -0.31 0.00 3.64 -1.18 0.15 116.57 118.60 3hyb h LYS 8 Ca 0.00 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 3hyb h LYS 8 Cb 0.32 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 3hyb h LYS 8 CO 0.00 0.03 -0.18 -0.44 -2.27 0.00 0.00 179.45 176.59 3hyb h ASP 9 N 0.04 0.56 -0.16 4.20 3.32 -0.65 -2.83 116.42 120.91 3hyb h ASP 9 Ca 0.26 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 3hyb h ASP 9 Cb 0.40 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 3hyb h ASP 9 CO -0.50 0.76 -0.14 0.74 -1.72 0.00 0.00 179.24 178.38 3hyb h THR 10 N 0.51 1.34 -0.58 0.35 2.02 -0.15 -2.81 112.91 113.59 3hyb h THR 10 Ca 0.08 -1.27 0.03 0.00 0.77 0.00 0.00 66.41 66.02 3hyb h THR 10 Cb 0.60 1.81 -0.04 0.00 -1.74 0.00 0.00 68.15 68.79 3hyb h THR 10 CO 0.04 0.38 0.36 0.00 0.37 0.00 0.00 175.52 176.66 3hyb h ALA 11 N 0.63 0.76 -0.18 6.16 0.00 -0.71 -0.52 119.26 125.40 3hyb h ALA 11 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3hyb h ALA 11 Cb 0.66 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3hyb h ALA 11 CO 0.04 0.09 0.01 -0.22 0.00 0.00 0.00 179.25 179.16 3hyb h LYS 12 N 0.70 0.26 0.05 0.00 3.64 -1.54 0.63 116.57 120.31 3hyb h LYS 12 Ca 0.24 -0.04 -0.24 0.00 -1.27 0.00 0.00 60.65 59.34 3hyb h LYS 12 Cb 0.02 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3hyb h LYS 12 CO -0.10 0.28 -1.05 1.15 -2.27 0.00 0.00 179.45 177.46 3hyb h THR 13 N 0.25 1.43 -0.50 1.00 2.02 -1.19 -2.01 112.91 113.90 3hyb h THR 13 Ca 0.06 -2.63 -0.12 0.00 0.77 0.00 0.00 66.41 64.49 3hyb h THR 13 Cb 0.17 2.59 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 3hyb h THR 13 CO 0.00 0.78 -0.16 -0.07 0.37 0.00 0.00 175.52 176.44 3hyb h LEU 14 N 0.18 1.01 -1.10 2.58 3.38 -0.58 -1.69 115.31 119.09 3hyb h LEU 14 Ca -0.10 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.43 3hyb h LEU 14 Cb 1.71 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.17 3hyb h LEU 14 CO 0.18 1.16 -0.07 1.56 0.09 0.00 0.00 178.44 181.36 3hyb h GLN 15 N 0.86 0.55 -0.04 1.13 4.20 -0.88 0.72 115.11 121.66 3hyb h GLN 15 Ca 0.12 -0.14 -0.26 0.00 0.06 0.00 0.00 58.65 58.43 3hyb h GLN 15 Cb 0.73 -0.07 0.02 0.00 0.30 0.00 0.00 27.48 28.47 3hyb h GLN 15 CO 0.06 0.63 -0.98 0.77 -0.67 0.00 0.00 178.83 178.63 3hyb h SER 16 N 0.52 0.92 0.21 1.46 0.02 -1.29 -2.31 113.55 113.07 3hyb h SER 16 Ca 0.10 -0.70 -0.10 0.00 -0.84 0.00 0.00 61.79 60.25 3hyb h SER 16 Cb 0.44 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3hyb h SER 16 CO 0.02 1.51 -0.38 0.22 -1.14 0.00 0.00 176.83 177.06 3hyb h TYR 17 N 0.43 0.28 0.00 3.45 3.20 -1.06 -2.05 116.97 121.22 3hyb h TYR 17 Ca -0.11 -0.07 -0.16 0.00 3.14 0.00 0.00 58.73 61.53 3hyb h TYR 17 Cb 1.63 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.81 3hyb h TYR 17 CO 0.10 0.59 -0.76 -0.07 -1.64 0.00 0.00 178.16 176.37 3hyb h LEU 18 N 0.21 0.00 -0.94 2.82 3.38 -0.88 -0.46 115.31 119.43 3hyb h LEU 18 Ca 0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3hyb h LEU 18 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3hyb h LEU 18 CO 0.06 0.76 -0.31 0.74 0.09 0.00 0.00 178.44 179.78 3hyb h THR 19 N 0.00 1.28 -0.18 0.22 2.02 -1.36 0.39 112.91 115.28 3hyb h THR 19 Ca -0.01 -1.35 -0.21 0.00 0.77 0.00 0.00 66.41 65.61 3hyb h THR 19 Cb 1.44 1.47 0.01 0.00 -1.74 0.00 0.00 68.15 69.32 3hyb h THR 19 CO 0.10 0.42 -0.73 0.22 0.37 0.00 0.00 175.52 175.90 3hyb h TYR 20 N 0.35 1.03 -0.68 3.16 3.20 -1.15 -1.69 116.97 121.19 3hyb h TYR 20 Ca 0.04 -0.44 -0.04 0.00 3.14 0.00 0.00 58.73 61.44 3hyb h TYR 20 Cb 0.73 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 3hyb h TYR 20 CO 0.02 1.26 0.26 1.96 -1.64 0.00 0.00 178.16 180.02 3hyb h GLN 21 N 0.55 1.02 -0.51 1.82 1.08 -0.87 -1.23 115.11 116.97 3hyb h GLN 21 Ca -0.04 -0.19 -0.06 0.00 -1.45 0.00 0.00 58.65 56.91 3hyb h GLN 21 Cb 1.35 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 28.59 3hyb h GLN 21 CO 0.15 0.86 0.07 0.00 -0.95 0.00 0.00 178.83 178.95 3hyb h ALA 22 N 1.11 0.68 -0.50 3.87 0.00 -0.93 -1.23 119.26 122.26 3hyb h ALA 22 Ca 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hyb h ALA 22 Cb 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3hyb h ALA 22 CO -0.02 0.43 0.27 1.25 0.00 0.00 0.00 179.25 181.19 3hyb h LEU 23 N 0.73 0.60 -0.73 0.00 5.85 -1.14 -0.14 115.31 120.48 3hyb h LEU 23 Ca 0.15 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 3hyb h LEU 23 Cb 0.42 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3hyb h LEU 23 CO 0.01 0.49 -0.10 0.03 -0.34 0.00 0.00 178.44 178.53 3hyb h ARG 24 N 0.69 0.87 0.60 1.25 2.47 -0.78 -2.11 114.38 117.36 3hyb h ARG 24 Ca 0.18 -0.30 -0.03 0.00 -1.26 0.00 0.00 59.98 58.57 3hyb h ARG 24 Cb 0.02 -0.07 0.01 0.00 -1.65 0.00 0.00 29.97 28.27 3hyb h ARG 24 CO -0.03 0.93 -0.29 1.15 0.56 0.00 0.00 179.97 182.29 3hyb h THR 25 N 0.78 0.00 -1.01 2.04 2.02 -0.19 -2.03 112.91 114.53 3hyb h THR 25 Ca 0.13 -0.25 0.25 0.00 0.77 0.00 0.00 66.41 67.32 3hyb h THR 25 Cb 0.61 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.90 3hyb h THR 25 CO 0.04 0.00 0.61 0.58 0.37 0.00 0.00 175.52 177.12 3hyb h VAL 26 N -1.05 0.52 -0.56 3.16 2.07 -1.17 0.17 116.25 119.39 3hyb h VAL 26 Ca -0.08 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 3hyb h VAL 26 Cb 0.62 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3hyb h VAL 26 CO 0.14 0.10 -0.01 0.25 0.02 0.00 0.00 177.57 178.06 3hyb h LEU 27 N 0.54 0.99 -0.63 2.57 5.85 -1.37 -1.41 115.31 121.85 3hyb h LEU 27 Ca 0.64 -0.31 -0.14 0.00 0.84 0.00 0.00 57.88 58.91 3hyb h LEU 27 Cb 1.30 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 3hyb h LEU 27 CO -0.45 1.06 -0.68 0.00 -0.34 0.00 0.00 178.44 178.03 3hyb h ALA 28 N 0.96 0.87 -0.05 1.25 0.00 0.05 -2.21 119.26 120.14 3hyb h ALA 28 Ca 0.16 -0.62 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 3hyb h ALA 28 Cb 0.56 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.25 3hyb h ALA 28 CO 0.03 0.85 -0.50 1.96 0.00 0.00 0.00 179.25 181.58 3hyb h GLN 29 N 0.01 0.42 0.00 0.00 1.08 -1.06 -2.68 115.11 112.89 3hyb h GLN 29 Ca -0.01 -0.39 0.00 0.00 -1.45 0.00 0.00 58.65 56.80 3hyb h GLN 29 Cb 1.21 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 3hyb h GLN 29 CO 0.09 1.04 0.00 -0.07 -0.95 0.00 0.00 178.83 178.94 3hyb h LEU 30 N -0.06 0.00 -0.47 1.46 4.07 -1.29 0.16 115.31 119.19 3hyb h LEU 30 Ca -0.05 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.77 3hyb h LEU 30 Cb 1.18 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.91 3hyb h LEU 30 CO 0.10 0.00 -0.31 1.23 -1.08 0.00 0.00 178.44 178.39 3hyb h GLY 31 N 0.19 1.02 0.76 0.83 0.00 -1.04 0.49 103.07 105.32 3hyb h GLY 31 Ca 0.00 -0.97 -0.19 0.00 0.00 0.00 0.00 47.33 46.18 3hyb h GLY 31 CO 0.00 0.88 -0.80 0.83 0.00 0.00 0.00 176.54 177.45 3hyb h GLU 32 N 0.78 0.36 0.01 4.80 5.08 -1.15 -3.41 114.58 121.05 3hyb h GLU 32 Ca 0.08 -0.52 -0.20 0.00 -1.00 0.00 0.00 59.36 57.72 3hyb h GLU 32 Cb 0.88 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 3hyb h GLU 32 CO 0.08 1.22 -1.09 1.15 -1.00 0.00 0.00 179.01 179.36 3hyb h THR 33 N -0.24 1.05 -2.03 1.13 2.02 -0.76 -3.44 112.91 110.64 3hyb h THR 33 Ca -0.13 -2.22 -0.46 0.00 0.77 0.00 0.00 66.41 64.37 3hyb h THR 33 Cb 1.58 2.45 -0.32 0.00 -1.74 0.00 0.00 68.15 70.12 3hyb h THR 33 CO 0.15 0.40 -0.81 0.21 0.37 0.00 0.00 175.52 175.84 3hyb s ASN 34 N -6.77 0.92 0.21 4.18 3.84 0.12 -5.01 114.94 112.42 3hyb s ASN 34 Ca -0.27 -2.43 -0.10 0.00 0.21 0.00 0.00 52.86 50.27 3hyb s ASN 34 Cb 0.04 0.23 0.26 0.00 -0.55 0.00 0.00 41.25 41.24 3hyb s ASN 34 CO 0.62 -0.18 1.76 -0.65 -2.79 0.00 0.00 177.10 175.87 3hyb h PRO 35 N 5.91 0.45 -0.09 0.43 0.11 -1.67 0.11 132.00 137.24 3hyb h PRO 35 Ca 0.17 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.29 3hyb h PRO 35 Cb 0.98 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 31.93 3hyb h PRO 35 CO 0.25 0.30 -0.37 -1.35 -0.21 0.00 0.00 178.00 176.63 3hyb h PRO 36 N 0.46 -0.45 -0.22 1.05 0.11 -1.96 -2.04 132.00 128.95 3hyb h PRO 36 Ca 0.30 0.03 0.06 0.00 0.11 0.00 0.00 66.00 66.50 3hyb h PRO 36 Cb 0.33 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 3hyb h PRO 36 CO -0.27 -0.30 0.21 1.25 -0.21 0.00 0.00 178.00 178.68 3hyb h LEU 37 N -0.46 0.00 -0.31 2.35 5.85 -1.67 -1.69 115.31 119.39 3hyb h LEU 37 Ca 0.08 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 3hyb h LEU 37 Cb 0.59 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3hyb h LEU 37 CO -0.35 0.00 -0.08 0.00 -0.34 0.00 0.00 178.44 177.67 3hyb h ALA 38 N 1.79 0.42 -0.42 1.25 0.00 -0.49 -2.32 119.26 119.49 3hyb h ALA 38 Ca 0.10 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 3hyb h ALA 38 Cb 0.52 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3hyb h ALA 38 CO -0.00 0.26 -0.18 1.25 0.00 0.00 0.00 179.25 180.58 3hyb h LEU 39 N 0.36 0.80 0.09 0.00 5.85 -0.96 -0.58 115.31 120.88 3hyb h LEU 39 Ca 0.08 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 3hyb h LEU 39 Cb 0.57 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.39 3hyb h LEU 39 CO 0.03 0.97 -0.04 -0.25 -0.34 0.00 0.00 178.44 178.81 3hyb h TRP 40 N 0.70 -0.11 -0.15 1.25 7.01 -1.28 -2.66 115.95 120.71 3hyb h TRP 40 Ca 0.11 -0.00 -0.08 0.00 2.11 0.00 0.00 58.89 61.03 3hyb h TRP 40 Cb 0.68 0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.77 3hyb h TRP 40 CO 0.04 -0.07 -0.24 1.25 -2.79 0.00 0.00 178.44 176.62 3hyb h LEU 41 N -0.12 0.27 -0.35 0.65 5.85 -1.15 0.12 115.31 120.56 3hyb h LEU 41 Ca -0.01 -0.08 -0.19 0.00 0.84 0.00 0.00 57.88 58.44 3hyb h LEU 41 Cb 0.10 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 3hyb h LEU 41 CO 0.02 0.52 -0.63 -0.74 -0.34 0.00 0.00 178.44 177.27 3hyb h HIS 42 N 0.24 0.88 0.12 1.25 2.76 -1.08 -1.63 115.15 117.70 3hyb h HIS 42 Ca 0.04 -0.34 -0.28 0.00 -2.20 0.00 0.00 60.37 57.59 3hyb h HIS 42 Cb 0.57 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.38 3hyb h HIS 42 CO 0.01 1.13 -1.31 -0.91 -1.30 0.00 0.00 177.93 175.55 3hyb h ASN 43 N 0.51 0.41 -0.77 3.26 4.21 -1.33 -2.93 115.58 118.94 3hyb h ASN 43 Ca -0.01 -0.46 -0.00 0.00 1.21 0.00 0.00 56.30 57.03 3hyb h ASN 43 Cb 1.21 -0.13 -0.04 0.00 -1.12 0.00 0.00 38.32 38.24 3hyb h ASN 43 CO 0.13 1.37 0.47 0.15 -1.29 0.00 0.00 177.43 178.25 3hyb h PHE 44 N 0.07 1.01 0.00 1.19 3.57 -0.78 -3.29 116.94 118.71 3hyb h PHE 44 Ca -0.16 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.24 3hyb h PHE 44 Cb 1.98 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 40.37 3hyb h PHE 44 CO 0.06 0.67 -0.79 1.03 -2.23 0.00 0.00 178.31 177.05 3hyb h SER 45 N 1.05 0.00 -1.57 0.41 0.87 -1.37 -3.43 113.55 109.51 3hyb h SER 45 Ca 0.28 0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 60.21 3hyb h SER 45 Cb -0.05 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3hyb h SER 45 CO -0.05 0.41 1.42 0.00 -0.53 0.00 0.00 176.83 178.08 3hyb n ALA 46 N -2.26 1.38 0.00 6.23 0.00 -1.10 -0.87 120.51 123.88 3hyb n ALA 46 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3hyb n ALA 46 Cb 0.72 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 17.46 3hyb n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hyb n GLY 47 N 6.00 2.45 0.09 0.00 0.00 -1.26 -4.87 105.19 107.60 3hyb n GLY 47 Ca 0.34 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.49 3hyb n GLY 47 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hyb h LYS 48 N 2.80 0.00 0.00 1.61 1.63 -1.27 -3.38 116.57 117.96 3hyb h LYS 48 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3hyb h LYS 48 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 3hyb h LYS 48 CO 0.00 0.00 0.00 1.33 -3.45 0.00 0.00 179.45 177.33 3hyb n VAL 49 N -2.24 0.13 0.00 2.00 0.24 -1.21 -4.27 118.33 112.99 3hyb n VAL 49 Ca 0.05 0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 3hyb n VAL 49 Cb 0.44 -0.93 0.00 0.00 -1.47 0.00 0.00 33.84 31.88 3hyb n VAL 49 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hyb n GLN 50 N -1.04 0.00 -3.54 7.34 6.02 -1.26 -4.55 117.38 120.35 3hyb n GLN 50 Ca 0.05 0.21 -0.38 0.00 -0.01 0.00 0.00 57.00 56.87 3hyb n GLN 50 Cb 0.03 -0.79 -0.10 0.00 1.02 0.00 0.00 30.24 30.40 3hyb n GLN 50 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3hyb s ASP 51 N -2.73 6.13 0.31 1.08 3.68 -1.26 -4.95 116.67 118.93 3hyb s ASP 51 Ca 0.00 0.14 0.04 0.00 2.13 0.00 0.00 52.55 54.85 3hyb s ASP 51 Cb 0.00 -2.15 0.52 0.00 -1.45 0.00 0.00 42.92 39.84 3hyb s ASP 51 CO 0.00 -0.05 1.80 1.23 0.13 0.00 0.00 175.17 178.27 3hyb h GLY 52 N 8.14 0.51 1.77 2.66 0.00 -1.84 -0.05 103.07 114.25 3hyb h GLY 52 Ca -0.35 -0.36 -0.25 0.00 0.00 0.00 0.00 47.33 46.37 3hyb h GLY 52 CO 0.61 0.33 -1.13 1.05 0.00 0.00 0.00 176.54 177.41 3hyb h GLU 53 N 0.43 0.17 -0.33 4.80 -0.00 -1.94 -2.43 114.58 115.29 3hyb h GLU 53 Ca 0.08 -0.28 -0.16 0.00 -0.00 0.00 0.00 59.36 58.99 3hyb h GLU 53 Cb 0.51 0.10 -0.00 0.00 -0.00 0.00 0.00 28.75 29.36 3hyb h GLU 53 CO 0.03 1.12 -0.42 -0.22 -0.00 0.00 0.00 179.01 179.52 3hyb h LYS 54 N 0.05 0.86 -0.74 1.06 3.64 -1.95 -2.53 116.57 116.96 3hyb h LYS 54 Ca -0.08 -0.49 0.02 0.00 -1.27 0.00 0.00 60.65 58.83 3hyb h LYS 54 Cb 1.86 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.67 3hyb h LYS 54 CO 0.17 1.13 0.47 -0.92 -2.27 0.00 0.00 179.45 178.04 3hyb h TYR 55 N 0.65 0.89 -0.11 1.91 3.20 -1.02 -1.91 116.97 120.58 3hyb h TYR 55 Ca 0.04 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3hyb h TYR 55 Cb 1.02 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.99 3hyb h TYR 55 CO 0.07 0.52 -0.00 0.82 -1.64 0.00 0.00 178.16 177.93 3hyb h ILE 56 N 0.94 1.26 -0.20 1.81 1.08 -1.40 -0.07 117.51 120.92 3hyb h ILE 56 Ca 0.29 -0.82 -0.02 0.00 -0.39 0.00 0.00 64.86 63.92 3hyb h ILE 56 Cb -0.02 1.60 -0.01 0.00 -3.07 0.00 0.00 36.82 35.31 3hyb h ILE 56 CO -0.10 0.23 0.04 -0.33 -0.69 0.00 0.00 178.15 177.31 3hyb h GLU 57 N -0.09 0.28 -0.00 2.37 4.39 -1.41 0.10 114.58 120.22 3hyb h GLU 57 Ca 0.03 -0.03 -0.20 0.00 0.34 0.00 0.00 59.36 59.50 3hyb h GLU 57 Cb 0.36 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3hyb h GLU 57 CO 0.01 0.27 -0.87 0.93 -1.16 0.00 0.00 179.01 178.19 3hyb h GLU 58 N 0.28 0.23 0.00 2.33 5.08 -1.18 -3.03 114.58 118.30 3hyb h GLU 58 Ca 0.07 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 3hyb h GLU 58 Cb 0.12 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3hyb h GLU 58 CO -0.00 0.97 -0.38 1.25 -1.00 0.00 0.00 179.01 179.84 3hyb h LEU 59 N 0.13 0.00 -0.80 1.33 5.85 -0.60 -3.15 115.31 118.07 3hyb h LEU 59 Ca -0.05 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.55 3hyb h LEU 59 Cb 1.49 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 3hyb h LEU 59 CO 0.14 0.38 -0.48 0.15 -0.34 0.00 0.00 178.44 178.29 3hyb h PHE 60 N 0.00 0.35 -0.07 1.25 3.57 -0.99 0.76 116.94 121.81 3hyb h PHE 60 Ca -0.00 -0.11 -0.10 0.00 3.53 0.00 0.00 57.97 61.29 3hyb h PHE 60 Cb 1.14 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 3hyb h PHE 60 CO 0.00 0.71 -0.40 -0.07 -2.23 0.00 0.00 178.31 176.33 3hyb h LEU 61 N 0.23 0.15 0.00 0.59 3.38 -1.49 -3.24 115.31 114.94 3hyb h LEU 61 Ca 0.01 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 3hyb h LEU 61 Cb 0.93 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 3hyb h LEU 61 CO 0.08 0.54 -1.03 -0.62 0.09 0.00 0.00 178.44 177.50 3hyb n GLU 62 N -4.04 0.52 -3.46 1.13 -0.58 -1.15 -4.89 120.64 108.15 3hyb n GLU 62 Ca -0.02 0.50 -0.28 0.00 -0.42 0.00 0.00 57.16 56.95 3hyb n GLU 62 Cb 0.46 -1.68 -0.11 0.00 -0.57 0.00 0.00 31.44 29.53 3hyb n GLU 62 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3hyb s LYS 63 N -2.36 0.72 0.46 3.49 1.02 0.25 -5.02 119.74 118.31 3hyb s LYS 63 Ca -0.24 -1.63 0.19 0.00 0.02 0.00 0.00 55.97 54.31 3hyb s LYS 63 Cb 0.05 -1.42 1.17 0.00 -0.52 0.00 0.00 37.83 37.11 3hyb s LYS 63 CO 0.41 -1.26 1.95 -1.35 -0.92 0.00 0.00 175.35 174.18 3hyb h PRO 64 N 6.56 0.26 -0.26 -1.68 0.11 -1.69 -1.93 132.00 133.36 3hyb h PRO 64 Ca 0.12 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.07 3hyb h PRO 64 Cb 0.95 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 3hyb h PRO 64 CO 0.31 0.17 -0.42 -0.44 -0.21 0.00 0.00 178.00 177.42 3hyb h ASP 65 N 0.27 0.69 0.21 -2.05 3.32 -1.91 -2.74 116.42 114.21 3hyb h ASP 65 Ca 0.32 -0.32 -0.31 0.00 0.02 0.00 0.00 57.03 56.75 3hyb h ASP 65 Cb 0.90 -0.19 0.03 0.00 0.22 0.00 0.00 39.33 40.28 3hyb h ASP 65 CO -0.07 1.02 -1.31 0.25 -1.72 0.00 0.00 179.24 177.40 3hyb h LEU 66 N 0.53 0.83 -0.99 1.55 5.85 -1.71 -2.49 115.31 118.89 3hyb h LEU 66 Ca 0.04 -0.81 0.16 0.00 0.84 0.00 0.00 57.88 58.11 3hyb h LEU 66 Cb 0.94 -0.27 -0.10 0.00 0.37 0.00 0.00 40.66 41.61 3hyb h LEU 66 CO 0.09 1.62 0.60 0.00 -0.34 0.00 0.00 178.44 180.40 3hyb h ALA 67 N 0.28 1.57 -0.22 1.25 0.00 -1.56 -1.30 119.26 119.28 3hyb h ALA 67 Ca -0.20 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 3hyb h ALA 67 Cb 1.99 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 3hyb h ALA 67 CO 0.25 0.03 -0.29 -0.07 0.00 0.00 0.00 179.25 179.17 3hyb h LEU 68 N 0.82 0.44 -0.63 0.00 3.38 -1.34 -0.30 115.31 117.68 3hyb h LEU 68 Ca 0.54 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.30 3hyb h LEU 68 Cb 0.74 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 3hyb h LEU 68 CO -0.34 0.72 0.17 0.03 0.09 0.00 0.00 178.44 179.10 3hyb h ARG 69 N 0.38 1.00 -0.11 1.13 2.47 -0.80 -1.54 114.38 116.91 3hyb h ARG 69 Ca 0.05 -0.23 -0.19 0.00 -1.26 0.00 0.00 59.98 58.35 3hyb h ARG 69 Cb 0.70 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.88 3hyb h ARG 69 CO 0.05 0.90 -0.72 0.82 0.56 0.00 0.00 179.97 181.58 3hyb h ILE 70 N 0.93 1.35 -0.24 2.04 2.04 -1.23 -2.78 117.51 119.62 3hyb h ILE 70 Ca 0.20 -2.06 -0.00 0.00 1.00 0.00 0.00 64.86 64.00 3hyb h ILE 70 Cb 0.34 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 3hyb h ILE 70 CO -0.00 0.63 0.15 0.24 0.00 0.00 0.00 178.15 179.17 3hyb h MET 71 N 0.36 0.32 -0.27 2.37 2.86 -0.86 -0.84 114.93 118.87 3hyb h MET 71 Ca -0.03 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3hyb h MET 71 Cb 1.31 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.89 3hyb h MET 71 CO 0.13 0.25 0.16 1.15 1.06 0.00 0.00 176.91 179.67 3hyb h THR 72 N 0.30 1.10 0.04 2.22 2.02 -1.33 -2.99 112.91 114.28 3hyb h THR 72 Ca 0.09 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 3hyb h THR 72 Cb 0.01 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 3hyb h THR 72 CO -0.02 0.10 -0.02 0.58 0.37 0.00 0.00 175.52 176.54 3hyb h VAL 73 N 0.34 1.24 -0.99 3.16 2.07 -1.36 -0.29 116.25 120.43 3hyb h VAL 73 Ca 0.10 -0.88 0.24 0.00 0.82 0.00 0.00 66.70 66.97 3hyb h VAL 73 Cb 0.02 1.82 -0.12 0.00 -1.52 0.00 0.00 31.29 31.49 3hyb h VAL 73 CO -0.02 0.22 0.56 0.08 0.02 0.00 0.00 177.57 178.44 3hyb h ARG 74 N -0.44 0.55 0.01 1.57 0.11 -1.22 0.30 114.38 115.25 3hyb h ARG 74 Ca -0.00 -0.03 -0.22 0.00 0.10 0.00 0.00 59.98 59.82 3hyb h ARG 74 Cb 0.40 -0.12 -0.00 0.00 1.11 0.00 0.00 29.97 31.36 3hyb h ARG 74 CO 0.01 0.37 -0.94 1.49 0.10 0.00 0.00 179.97 180.99 3hyb h GLU 75 N 0.57 0.35 -0.31 0.08 4.81 -1.37 -1.91 114.58 116.81 3hyb h GLU 75 Ca 0.63 -0.39 -0.06 0.00 -0.13 0.00 0.00 59.36 59.41 3hyb h GLU 75 Cb 1.17 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 3hyb h GLU 75 CO -0.47 1.07 -0.03 1.25 -0.73 0.00 0.00 179.01 180.10 3hyb h HIS 76 N 0.19 0.63 0.16 0.92 2.76 0.81 -2.04 115.15 118.59 3hyb h HIS 76 Ca -0.07 -0.12 -0.01 0.00 -2.20 0.00 0.00 60.37 57.97 3hyb h HIS 76 Cb 1.58 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 30.38 3hyb h HIS 76 CO 0.05 0.72 -0.08 0.82 -1.30 0.00 0.00 177.93 178.15 3hyb h ILE 77 N 0.35 0.86 -0.61 6.26 2.04 -1.03 -2.50 117.51 122.88 3hyb h ILE 77 Ca 0.08 -0.05 0.10 0.00 1.00 0.00 0.00 64.86 65.99 3hyb h ILE 77 Cb 0.49 0.89 -0.08 0.00 -0.74 0.00 0.00 36.82 37.39 3hyb h ILE 77 CO 0.02 0.01 0.20 0.00 0.00 0.00 0.00 178.15 178.39 3hyb h ALA 78 N 0.60 0.77 0.00 1.87 0.00 -1.32 0.52 119.26 121.70 3hyb h ALA 78 Ca -0.02 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3hyb h ALA 78 Cb 0.19 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3hyb h ALA 78 CO 0.04 -0.23 -0.21 0.93 0.00 0.00 0.00 179.25 179.78 3hyb h GLU 79 N 0.37 0.00 0.13 0.00 5.08 -1.25 -1.89 114.58 117.02 3hyb h GLU 79 Ca 0.31 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.34 3hyb h GLU 79 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3hyb h GLU 79 CO -0.34 0.21 -1.76 0.93 -1.00 0.00 0.00 179.01 177.06 3hyb h GLU 80 N 0.00 0.28 0.00 2.33 5.08 -0.59 -3.43 114.58 118.26 3hyb h GLU 80 Ca -0.00 -0.48 -0.08 0.00 -1.00 0.00 0.00 59.36 57.80 3hyb h GLU 80 Cb 0.46 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3hyb h GLU 80 CO 0.03 1.16 -1.78 0.44 -1.00 0.00 0.00 179.01 177.86 3hyb n ILE 81 N -3.47 0.29 -0.03 3.13 -5.35 -0.01 -4.71 119.36 109.20 3hyb n ILE 81 Ca -0.24 -0.42 0.03 0.00 -0.27 0.00 0.00 62.75 61.85 3hyb n ILE 81 Cb 1.06 -0.08 0.37 0.00 -1.74 0.00 0.00 39.64 39.25 3hyb n ILE 81 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hyb h ALA 82 N 1.19 1.61 0.00 -1.28 0.00 -1.54 -1.13 119.26 118.10 3hyb h ALA 82 Ca -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3hyb h ALA 82 Cb 1.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3hyb h ALA 82 CO 0.01 0.34 0.00 -0.85 0.00 0.00 0.00 179.25 178.74 3hyb n GLU 83 N -4.43 0.09 -0.01 0.00 0.28 -1.26 -2.50 120.64 112.81 3hyb n GLU 83 Ca 0.03 0.38 0.10 0.00 -0.16 0.00 0.00 57.16 57.52 3hyb n GLU 83 Cb 0.09 -1.69 -0.15 0.00 1.43 0.00 0.00 31.44 31.13 3hyb n GLU 83 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3hyb n PHE 84 N -1.86 0.00 -0.22 -1.84 3.72 -0.43 -4.53 117.46 112.31 3hyb n PHE 84 Ca 0.02 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.35 3hyb n PHE 84 Cb 0.16 -0.28 0.03 0.00 -0.94 0.00 0.00 39.48 38.46 3hyb n PHE 84 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3hyb h LEU 85 N 0.00 0.85 0.18 4.37 3.38 -1.51 -2.70 115.31 119.88 3hyb h LEU 85 Ca 0.00 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.81 3hyb h LEU 85 Cb 0.77 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3hyb h LEU 85 CO 0.00 0.79 -0.38 -0.65 0.09 0.00 0.00 178.44 178.29 3hyb h PRO 86 N 0.86 -0.62 -0.86 1.13 0.11 -1.80 -0.16 132.00 130.65 3hyb h PRO 86 Ca 0.21 0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.38 3hyb h PRO 86 Cb 0.20 0.14 -0.05 0.00 0.11 0.00 0.00 31.00 31.41 3hyb h PRO 86 CO -0.02 -0.42 0.57 1.49 -0.21 0.00 0.00 178.00 179.41 3hyb h GLU 87 N -0.65 1.10 -0.81 1.05 4.81 -1.86 -1.47 114.58 116.75 3hyb h GLU 87 Ca 0.01 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3hyb h GLU 87 Cb 0.65 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 3hyb h GLU 87 CO -0.19 0.73 0.40 0.52 -0.73 0.00 0.00 179.01 179.74 3hyb h MET 88 N 1.13 1.16 0.07 1.92 2.86 -1.20 -0.42 114.93 120.46 3hyb h MET 88 Ca 0.33 -0.16 -0.23 0.00 -2.06 0.00 0.00 59.70 57.58 3hyb h MET 88 Cb -0.07 -0.21 0.02 0.00 0.06 0.00 0.00 31.60 31.40 3hyb h MET 88 CO -0.09 0.89 -0.94 -0.24 1.06 0.00 0.00 176.91 177.59 3hyb h VAL 89 N 1.14 1.37 0.24 -2.22 3.04 -0.74 0.24 116.25 119.32 3hyb h VAL 89 Ca 0.28 -2.32 -0.01 0.00 -1.01 0.00 0.00 66.70 63.64 3hyb h VAL 89 Cb 0.10 2.71 0.00 0.00 -2.01 0.00 0.00 31.29 32.09 3hyb h VAL 89 CO -0.04 0.69 -0.12 0.58 -1.01 0.00 0.00 177.57 177.68 3hyb h VAL 90 N 0.06 0.81 -0.03 1.51 2.07 -1.27 0.10 116.25 119.49 3hyb h VAL 90 Ca -0.14 -0.31 -0.15 0.00 0.82 0.00 0.00 66.70 66.92 3hyb h VAL 90 Cb 1.65 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 3hyb h VAL 90 CO 0.18 0.07 -0.65 0.71 0.02 0.00 0.00 177.57 177.90 3hyb h THR 91 N -0.49 1.43 -0.23 2.57 1.35 -1.18 -1.72 112.91 114.65 3hyb h THR 91 Ca -0.03 -2.15 0.05 0.00 -0.55 0.00 0.00 66.41 63.73 3hyb h THR 91 Cb 0.36 2.13 -0.04 0.00 -1.73 0.00 0.00 68.15 68.87 3hyb h THR 91 CO 0.05 0.62 -0.06 1.23 -0.25 0.00 0.00 175.52 177.11 3hyb h GLY 92 N 1.71 0.15 0.81 5.82 0.00 -0.86 -0.28 103.07 110.43 3hyb h GLY 92 Ca -0.01 0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 3hyb h GLY 92 CO 0.09 -0.09 -0.01 -2.22 0.00 0.00 0.00 176.54 174.31 3hyb h ILE 93 N -0.01 1.26 -0.75 2.60 2.04 -0.85 -0.60 117.51 121.20 3hyb h ILE 93 Ca 0.11 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.08 3hyb h ILE 93 Cb 0.18 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 3hyb h ILE 93 CO -0.24 0.28 0.50 1.56 0.00 0.00 0.00 178.15 180.25 3hyb h GLN 94 N 0.11 0.93 -0.07 2.37 4.20 -1.23 0.86 115.11 122.28 3hyb h GLN 94 Ca 0.05 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 3hyb h GLN 94 Cb 0.42 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 28.00 3hyb h GLN 94 CO 0.01 0.61 -0.55 0.37 -0.67 0.00 0.00 178.83 178.61 3hyb h GLN 95 N 0.96 0.49 -0.77 1.46 5.75 -0.90 -0.65 115.11 121.44 3hyb h GLN 95 Ca 0.29 -0.44 -0.05 0.00 -0.15 0.00 0.00 58.65 58.31 3hyb h GLN 95 Cb -0.01 0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 3hyb h GLN 95 CO -0.08 1.07 0.30 0.00 -2.65 0.00 0.00 178.83 177.48 3hyb h ALA 96 N 0.42 1.00 -0.30 3.38 0.00 -0.88 -1.95 119.26 120.94 3hyb h ALA 96 Ca -0.05 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 3hyb h ALA 96 Cb 1.21 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3hyb h ALA 96 CO 0.11 0.63 -0.17 -0.91 0.00 0.00 0.00 179.25 178.92 3hyb h ASN 97 N 1.12 0.66 -0.65 0.00 2.35 -0.87 -3.11 115.58 115.09 3hyb h ASN 97 Ca 0.26 -0.42 0.03 0.00 -0.55 0.00 0.00 56.30 55.62 3hyb h ASN 97 Cb 0.22 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 3hyb h ASN 97 CO -0.02 0.94 0.43 -0.03 -1.65 0.00 0.00 177.43 177.10 3hyb h MET 98 N 0.39 0.75 -0.36 0.81 4.05 -0.98 -0.48 114.93 119.11 3hyb h MET 98 Ca 0.06 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.44 3hyb h MET 98 Cb 0.70 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.31 3hyb h MET 98 CO 0.05 0.50 0.22 0.93 0.23 0.00 0.00 176.91 178.83 3hyb h GLU 99 N 0.77 0.49 0.16 0.39 4.39 -1.29 -2.69 114.58 116.80 3hyb h GLU 99 Ca 0.26 -0.05 -0.31 0.00 0.34 0.00 0.00 59.36 59.61 3hyb h GLU 99 Cb 0.08 -0.10 0.03 0.00 -0.10 0.00 0.00 28.75 28.66 3hyb h GLU 99 CO -0.07 0.38 -1.31 0.87 -1.16 0.00 0.00 179.01 177.71 3hyb h LYS 100 N 0.47 0.54 0.00 2.33 1.57 -1.17 -2.62 116.57 117.69 3hyb h LYS 100 Ca 0.13 -0.80 -0.01 0.00 -1.87 0.00 0.00 60.65 58.09 3hyb h LYS 100 Cb 0.01 0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3hyb h LYS 100 CO -0.02 1.37 -0.06 0.00 -0.57 0.00 0.00 179.45 180.17 3hyb h ARG 101 N 0.21 0.00 0.04 3.15 3.08 -1.23 -0.44 114.38 119.18 3hyb h ARG 101 Ca -0.20 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 3hyb h ARG 101 Cb 2.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.05 3hyb h ARG 101 CO 0.24 0.06 -0.02 -0.09 -1.07 0.00 0.00 179.97 179.10 3hyb h ARG 102 N 0.00 -0.05 0.11 0.04 2.43 -1.20 -2.44 114.38 113.28 3hyb h ARG 102 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3hyb h ARG 102 Cb 0.17 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3hyb h ARG 102 CO 0.01 0.59 -0.05 -0.56 -1.51 0.00 0.00 179.97 178.44 3hyb h GLN 103 N -0.76 -0.14 0.02 0.20 3.07 -1.38 -3.39 115.11 112.73 3hyb h GLN 103 Ca -0.01 0.01 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 3hyb h GLN 103 Cb 0.66 0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.25 3hyb h GLN 103 CO 0.01 0.31 -0.01 0.45 0.09 0.00 0.00 178.83 179.68 3hyb h HIS 104 N -0.67 -0.03 0.00 0.06 3.86 -1.25 -3.52 115.15 113.61 3hyb h HIS 104 Ca -0.02 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3hyb h HIS 104 Cb 0.52 0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.99 3hyb h HIS 104 CO 0.08 -0.02 0.00 1.28 0.86 0.00 0.00 177.93 180.14