#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q5r s SER -48 N 0.00 5.80 0.00 1.96 0.15 -1.26 -4.95 113.70 115.40 1q5r s SER -48 Ca 0.00 2.24 0.11 0.00 0.70 0.00 0.00 55.95 59.00 1q5r s SER -48 Cb 0.00 -2.59 0.39 0.00 -1.71 0.00 0.00 66.02 62.11 1q5r s SER -48 CO 0.00 -1.17 1.29 0.49 1.20 0.00 0.00 173.24 175.05 1q5r n PHE -47 N -1.09 0.29 -0.39 3.44 3.72 -1.26 -5.04 117.46 117.14 1q5r n PHE -47 Ca 0.11 -0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1q5r n PHE -47 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 1q5r n PHE -47 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1q5r n GLY -46 N 0.94 -2.71 3.77 1.37 0.00 -1.26 -4.94 105.19 102.36 1q5r n GLY -46 Ca 0.10 -1.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.07 1q5r n GLY -46 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1q5r s SER -45 N -1.82 7.10 0.43 1.61 0.15 -1.26 -4.95 113.70 114.96 1q5r s SER -45 Ca 0.00 2.06 0.15 0.00 0.70 0.00 0.00 55.95 58.87 1q5r s SER -45 Cb 0.00 -2.60 0.96 0.00 -1.71 0.00 0.00 66.02 62.68 1q5r s SER -45 CO 0.00 -0.25 1.95 -1.13 1.20 0.00 0.00 173.24 175.01 1q5r h ASN -44 N 3.18 0.00 -0.33 5.45 -0.00 -1.92 -2.39 115.58 119.58 1q5r h ASN -44 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.83 1q5r h ASN -44 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.53 1q5r h ASN -44 CO 0.65 0.24 0.00 0.18 -0.00 0.00 0.00 177.43 178.49 1q5r n LEU -43 N -4.16 3.31 -1.49 0.34 4.32 -1.26 -4.94 117.00 113.12 1q5r n LEU -43 Ca -0.02 -1.38 -0.13 0.00 -0.02 0.00 0.00 56.01 54.46 1q5r n LEU -43 Cb 0.30 -0.21 -0.01 0.00 -1.62 0.00 0.00 43.42 41.88 1q5r n LEU -43 CO 0.36 0.69 -0.16 -1.20 -1.22 0.00 0.00 177.39 175.86 1q5r n SER -42 N 1.42 -4.06 -4.41 -1.43 7.64 -0.90 -4.99 113.62 106.88 1q5r n SER -42 Ca 0.19 -0.02 -0.38 0.00 1.01 0.00 0.00 58.87 59.67 1q5r n SER -42 Cb 0.59 -3.25 -0.12 0.00 -1.01 0.00 0.00 64.21 60.43 1q5r n SER -42 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1q5r s SER -41 N -2.42 5.39 0.28 6.43 0.15 -1.26 -4.06 113.70 118.22 1q5r s SER -41 Ca 0.00 -0.54 -0.01 0.00 0.70 0.00 0.00 55.95 56.11 1q5r s SER -41 Cb -0.00 -1.96 0.47 0.00 -1.71 0.00 0.00 66.02 62.82 1q5r s SER -41 CO 0.00 -0.18 1.89 0.15 1.20 0.00 0.00 173.24 176.31 1q5r h PHE -40 N 8.31 1.13 0.29 3.44 3.57 -1.89 -1.75 116.94 130.04 1q5r h PHE -40 Ca -0.33 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.20 1q5r h PHE -40 Cb 1.14 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 1q5r h PHE -40 CO 0.64 0.58 -0.28 1.15 -2.23 0.00 0.00 178.31 178.16 1q5r h THR -39 N 1.10 0.40 -0.53 4.41 2.02 -1.93 -1.39 112.91 117.00 1q5r h THR -39 Ca 0.42 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.76 1q5r h THR -39 Cb 0.21 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1q5r h THR -39 CO -0.17 0.00 0.41 -0.78 0.37 0.00 0.00 175.52 175.35 1q5r h ASP -38 N -0.60 0.00 0.04 4.18 3.58 -1.83 0.80 116.42 122.59 1q5r h ASP -38 Ca -0.01 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1q5r h ASP -38 Cb 0.55 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.60 1q5r h ASP -38 CO -0.06 0.00 -0.02 0.22 -2.88 0.00 0.00 179.24 176.50 1q5r h TYR -37 N 0.00 -0.05 -0.76 0.28 3.20 -0.42 -3.08 116.97 116.13 1q5r h TYR -37 Ca 0.25 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.17 1q5r h TYR -37 Cb 1.07 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 39.31 1q5r h TYR -37 CO 0.00 0.37 0.47 -0.07 -1.64 0.00 0.00 178.16 177.29 1q5r h LEU -36 N -0.49 0.74 -1.80 2.82 3.38 -0.19 -0.86 115.31 118.91 1q5r h LEU -36 Ca -0.01 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.16 1q5r h LEU -36 Cb 0.44 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1q5r h LEU -36 CO 0.01 0.49 0.65 -0.09 0.09 0.00 0.00 178.44 179.59 1q5r h ARG -35 N 0.88 0.00 0.00 1.13 9.65 -0.86 0.46 114.38 125.64 1q5r h ARG -35 Ca 0.32 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.20 1q5r h ARG -35 Cb 0.11 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 1q5r h ARG -35 CO -0.15 0.00 -0.04 0.41 2.80 0.00 0.00 179.97 182.99 1q5r n GLY -34 N -1.57 2.12 0.00 2.80 0.00 -0.42 -4.56 105.19 103.57 1q5r n GLY -34 Ca 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1q5r n GLY -34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1q5r n HIS -33 N -0.58 0.00 -2.76 1.61 8.25 -0.67 -4.96 115.22 116.11 1q5r n HIS -33 Ca 0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.40 1q5r n HIS -33 Cb 0.42 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.61 1q5r n HIS -33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1q5r n ALA -32 N 0.00 -0.36 -0.35 -1.41 0.00 0.15 -4.99 120.51 113.55 1q5r n ALA -32 Ca 0.00 -1.60 0.31 0.00 0.00 0.00 0.00 53.44 52.15 1q5r n ALA -32 Cb 0.00 -1.13 0.64 0.00 0.00 0.00 0.00 19.45 18.96 1q5r n ALA -32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1q5r h PRO -31 N 2.91 0.17 -0.67 0.00 0.11 -1.44 -0.80 132.00 132.28 1q5r h PRO -31 Ca -0.10 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 66.16 1q5r h PRO -31 Cb 1.11 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1q5r h PRO -31 CO 0.14 0.11 0.47 1.05 -0.21 0.00 0.00 178.00 179.56 1q5r h GLU -30 N 0.18 0.17 0.00 1.05 9.09 -1.90 -1.08 114.58 122.09 1q5r h GLU -30 Ca 0.62 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 60.02 1q5r h GLU -30 Cb 2.04 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 29.10 1q5r h GLU -30 CO -0.19 0.11 0.00 1.28 0.05 0.00 0.00 179.01 180.26 1q5r n LEU -29 N -4.41 0.45 -4.83 3.06 4.77 -0.31 -4.83 117.00 110.90 1q5r n LEU -29 Ca 0.13 0.56 -0.33 0.00 -0.03 0.00 0.00 56.01 56.34 1q5r n LEU -29 Cb 0.62 -0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 1q5r n LEU -29 CO 0.35 -0.21 0.65 -0.76 -1.33 0.00 0.00 177.39 176.10 1q5r s LEU -28 N -3.89 3.84 0.17 2.23 1.43 -0.41 -4.97 118.68 117.08 1q5r s LEU -28 Ca 0.10 1.64 -0.13 0.00 -1.03 0.00 0.00 54.13 54.71 1q5r s LEU -28 Cb 0.13 -4.52 0.07 0.00 0.03 0.00 0.00 46.19 41.90 1q5r s LEU -28 CO 0.50 -0.43 1.75 -0.65 0.23 0.00 0.00 176.35 177.75 1q5r h PRO -27 N 1.61 0.82 -1.13 1.29 0.11 -1.88 -2.93 132.00 129.89 1q5r h PRO -27 Ca -0.48 -0.13 0.40 0.00 0.11 0.00 0.00 66.00 65.90 1q5r h PRO -27 Cb 1.18 -0.15 -0.15 0.00 0.11 0.00 0.00 31.00 31.99 1q5r h PRO -27 CO 0.61 0.68 0.67 0.93 -0.21 0.00 0.00 178.00 180.68 1q5r h GLU -26 N 0.77 0.11 -4.39 1.05 5.08 -1.92 -3.33 114.58 111.95 1q5r h GLU -26 Ca 0.19 -0.01 -0.73 0.00 -1.00 0.00 0.00 59.36 57.82 1q5r h GLU -26 Cb 0.13 -0.02 -0.25 0.00 0.50 0.00 0.00 28.75 29.11 1q5r h GLU -26 CO -0.02 0.07 -0.41 -0.80 -1.00 0.00 0.00 179.01 176.85 1q5r s ASN -25 N -4.59 5.87 0.00 1.42 -0.87 -1.11 -5.00 114.94 110.66 1q5r s ASN -25 Ca -0.09 -1.39 0.00 0.00 -1.57 0.00 0.00 52.86 49.81 1q5r s ASN -25 Cb 0.31 -2.08 0.00 0.00 -0.02 0.00 0.00 41.25 39.47 1q5r s ASN -25 CO 0.80 -0.58 0.00 -1.14 -2.57 0.00 0.00 177.10 173.61 1q5r n ARG -24 N 5.05 0.00 -2.65 -0.60 0.63 -1.25 -4.77 116.66 113.07 1q5r n ARG -24 Ca -0.11 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.39 1q5r n ARG -24 Cb 0.43 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.32 1q5r n ARG -24 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1q5r s ASP -6 N -4.00 7.24 0.00 6.15 3.68 -1.26 -4.92 116.67 123.56 1q5r s ASP -6 Ca 0.00 1.61 0.18 0.00 2.13 0.00 0.00 52.55 56.47 1q5r s ASP -6 Cb 0.00 -2.56 0.16 0.00 -1.45 0.00 0.00 42.92 39.07 1q5r s ASP -6 CO 0.00 -0.43 1.08 0.00 0.13 0.00 0.00 175.17 175.95 1q5r n LEU -5 N 4.76 2.52 -3.59 -1.34 -0.00 -1.26 -4.62 117.00 113.47 1q5r n LEU -5 Ca 0.08 -1.05 -0.17 0.00 -0.00 0.00 0.00 56.01 54.88 1q5r n LEU -5 Cb 0.49 -0.02 -0.07 0.00 -0.00 0.00 0.00 43.42 43.82 1q5r n LEU -5 CO 0.53 0.46 0.32 0.00 -0.00 0.00 0.00 177.39 178.69 1q5r s ALA -4 N -1.45 -1.50 0.45 1.47 0.00 -1.26 -5.15 121.76 114.32 1q5r s ALA -4 Ca 0.21 1.07 -0.23 0.00 0.00 0.00 0.00 51.96 53.01 1q5r s ALA -4 Cb 0.15 -0.01 -0.10 0.00 0.00 0.00 0.00 23.12 23.16 1q5r s ALA -4 CO 0.22 -0.34 0.98 -2.30 0.00 0.00 0.00 175.76 174.33 1q5r n PRO -3 N 1.07 1.26 -4.36 0.00 -0.02 -1.26 -4.79 135.00 126.91 1q5r n PRO -3 Ca -0.20 0.46 -0.22 0.00 -2.02 0.00 0.00 63.50 61.52 1q5r n PRO -3 Cb 0.57 -2.04 -0.13 0.00 -0.02 0.00 0.00 33.50 31.87 1q5r n PRO -3 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1q5r s HIS -2 N -1.32 1.53 0.19 6.00 -3.43 0.96 -1.07 115.29 118.15 1q5r s HIS -2 Ca 0.65 -0.40 -0.07 0.00 -0.80 0.00 0.00 55.06 54.43 1q5r s HIS -2 Cb -0.53 -0.87 -0.06 0.00 -1.43 0.00 0.00 32.58 29.68 1q5r s HIS -2 CO 0.56 0.11 -0.03 0.41 -2.00 0.00 0.00 174.74 173.78 1q5r n GLY -1 N 1.50 -1.23 3.99 -1.38 0.00 1.19 -3.40 105.19 105.87 1q5r n GLY -1 Ca -0.19 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 1q5r n GLY -1 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q5r s THR 1 N -0.76 2.44 0.20 2.61 -4.23 -1.26 -4.35 115.64 110.28 1q5r s THR 1 Ca 0.23 -0.70 -0.30 0.00 -1.18 0.00 0.00 61.69 59.74 1q5r s THR 1 Cb -0.21 -2.74 -0.08 0.00 1.34 0.00 0.00 72.50 70.81 1q5r s THR 1 CO 0.26 0.00 1.01 -0.89 -0.54 0.00 0.00 174.62 174.46 1q5r s THR 2 N -2.86 4.04 -0.02 3.99 2.01 -1.26 -4.41 115.64 117.12 1q5r s THR 2 Ca 0.61 1.88 0.01 0.00 0.31 0.00 0.00 61.69 64.50 1q5r s THR 2 Cb -0.08 -4.20 0.01 0.00 0.01 0.00 0.00 72.50 68.24 1q5r s THR 2 CO 0.40 0.38 -0.04 -0.63 -0.69 0.00 0.00 174.62 174.04 1q5r s ILE 3 N -0.66 0.42 0.04 1.82 1.01 0.49 -1.03 121.20 123.29 1q5r s ILE 3 Ca 0.45 -0.13 0.07 0.00 0.00 0.00 0.00 60.65 61.04 1q5r s ILE 3 Cb -0.27 -0.42 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 1q5r s ILE 3 CO 0.34 0.17 -0.18 -0.69 0.00 0.00 0.00 174.94 174.57 1q5r s VAL 4 N 0.50 2.82 -0.06 2.92 1.01 0.23 -1.31 120.40 126.51 1q5r s VAL 4 Ca -0.06 -1.19 0.01 0.00 0.00 0.00 0.00 61.98 60.74 1q5r s VAL 4 Cb -0.09 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.11 1q5r s VAL 4 CO -0.00 0.32 -0.07 0.00 0.00 0.00 0.00 175.10 175.35 1q5r s ALA 5 N -0.94 0.94 0.06 5.51 0.00 0.93 -1.04 121.76 127.22 1q5r s ALA 5 Ca 0.15 -0.23 0.07 0.00 0.00 0.00 0.00 51.96 51.95 1q5r s ALA 5 Cb -0.11 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 1q5r s ALA 5 CO 0.06 -0.04 -0.19 -0.51 0.00 0.00 0.00 175.76 175.07 1q5r s LEU 6 N 0.98 2.20 -0.05 0.00 1.02 -0.94 -1.04 118.68 120.85 1q5r s LEU 6 Ca -0.10 -0.55 -0.02 0.00 0.02 0.00 0.00 54.13 53.49 1q5r s LEU 6 Cb -0.15 -0.88 -0.04 0.00 0.02 0.00 0.00 46.19 45.15 1q5r s LEU 6 CO 0.00 0.11 0.06 0.28 0.02 0.00 0.00 176.35 176.82 1q5r s THR 7 N -0.90 4.68 0.32 5.49 -1.32 0.54 -1.18 115.64 123.28 1q5r s THR 7 Ca 0.06 -0.25 -0.15 0.00 -1.21 0.00 0.00 61.69 60.14 1q5r s THR 7 Cb -0.09 -3.05 0.03 0.00 -1.51 0.00 0.00 72.50 67.87 1q5r s THR 7 CO 0.02 0.49 0.66 -0.72 -2.21 0.00 0.00 174.62 172.87 1q5r s TYR 8 N -1.04 0.22 0.00 9.09 -0.85 -0.47 -4.76 117.35 119.53 1q5r s TYR 8 Ca 0.18 -0.71 0.00 0.00 -0.52 0.00 0.00 57.07 56.02 1q5r s TYR 8 Cb -0.12 0.54 0.00 0.00 0.38 0.00 0.00 41.96 42.76 1q5r s TYR 8 CO 0.08 -1.30 0.43 1.17 -1.52 0.00 0.00 175.55 174.41 1q5r n LYS 9 N -0.49 0.00 0.00 -3.49 3.00 -1.12 -3.18 118.16 112.88 1q5r n LYS 9 Ca -0.04 0.43 0.00 0.00 -0.00 0.00 0.00 58.31 58.70 1q5r n LYS 9 Cb 0.60 -0.72 0.00 0.00 0.00 0.00 0.00 35.03 34.92 1q5r n LYS 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1q5r n GLY 10 N -0.90 -3.11 0.00 3.14 0.00 -1.26 -4.47 105.19 98.59 1q5r n GLY 10 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1q5r n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q5r n GLY 11 N -0.62 4.34 3.30 -0.02 0.00 -1.19 -4.68 105.19 106.31 1q5r n GLY 11 Ca 0.00 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 1q5r n GLY 11 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1q5r s VAL 12 N 3.79 0.61 0.08 1.61 -7.23 -0.65 -1.37 120.40 117.24 1q5r s VAL 12 Ca 0.00 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.09 1q5r s VAL 12 Cb 0.00 -2.48 -0.00 0.00 0.56 0.00 0.00 36.38 34.46 1q5r s VAL 12 CO 0.00 -0.15 0.18 -1.48 -0.31 0.00 0.00 175.10 173.34 1q5r s LEU 13 N -3.27 1.48 -0.03 1.32 0.05 -0.32 -0.67 118.68 117.24 1q5r s LEU 13 Ca 0.34 -0.65 0.03 0.00 0.05 0.00 0.00 54.13 53.89 1q5r s LEU 13 Cb 0.07 0.98 0.00 0.00 -2.05 0.00 0.00 46.19 45.19 1q5r s LEU 13 CO 0.11 -0.71 -0.10 -0.76 -0.55 0.00 0.00 176.35 174.34 1q5r s LEU 14 N -2.82 1.83 -0.03 1.48 1.43 0.43 -2.20 118.68 118.80 1q5r s LEU 14 Ca 0.04 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 1q5r s LEU 14 Cb 0.05 -0.59 0.01 0.00 0.03 0.00 0.00 46.19 45.68 1q5r s LEU 14 CO -0.11 0.08 -0.05 0.00 0.23 0.00 0.00 176.35 176.51 1q5r s ALA 15 N 0.12 0.62 0.10 4.21 0.00 -0.20 -0.66 121.76 125.95 1q5r s ALA 15 Ca -0.02 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 51.86 1q5r s ALA 15 Cb -0.08 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1q5r s ALA 15 CO 0.01 0.05 -0.14 0.20 0.00 0.00 0.00 175.76 175.88 1q5r s GLY 16 N 0.51 0.97 0.97 0.00 0.00 0.14 -0.60 107.32 109.31 1q5r s GLY 16 Ca -0.07 -1.18 -0.16 0.00 0.00 0.00 0.00 44.72 43.31 1q5r s GLY 16 CO 0.00 -1.23 0.99 1.34 0.00 0.00 0.00 173.10 174.20 1q5r n ASP 17 N 0.79 -1.28 0.00 1.64 4.64 -0.20 -1.27 116.55 120.87 1q5r n ASP 17 Ca -0.18 -1.17 0.00 0.00 -1.38 0.00 0.00 54.79 52.06 1q5r n ASP 17 Cb 0.56 -0.85 0.00 0.00 -1.04 0.00 0.00 41.12 39.79 1q5r n ASP 17 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1q5r n ARG 18 N -4.02 -0.55 -2.85 -0.67 5.12 -1.26 -4.38 116.66 108.06 1q5r n ARG 18 Ca 0.13 -0.41 -0.42 0.00 -1.93 0.00 0.00 57.85 55.22 1q5r n ARG 18 Cb 0.49 -0.86 -0.04 0.00 -1.16 0.00 0.00 32.46 30.90 1q5r n ARG 18 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1q5r s ARG 19 N -0.04 4.00 -0.19 5.56 6.06 -1.26 -1.91 118.95 131.16 1q5r s ARG 19 Ca 0.00 0.75 -0.02 0.00 -2.50 0.00 0.00 55.73 53.96 1q5r s ARG 19 Cb 0.00 -3.73 -0.01 0.00 0.06 0.00 0.00 34.95 31.27 1q5r s ARG 19 CO 0.00 -0.74 -0.08 0.00 -2.50 0.00 0.00 175.30 171.98 1q5r s ALA 20 N 3.16 2.72 0.12 6.12 0.00 -0.10 -4.40 121.76 129.38 1q5r s ALA 20 Ca 0.36 -1.09 0.09 0.00 0.00 0.00 0.00 51.96 51.32 1q5r s ALA 20 Cb -0.14 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 1q5r s ALA 20 CO 0.13 -0.23 -0.17 -0.08 0.00 0.00 0.00 175.76 175.40 1q5r s THR 21 N 1.14 2.87 -0.31 0.00 -1.32 -1.22 0.10 115.64 116.90 1q5r s THR 21 Ca 0.01 -1.53 -0.03 0.00 -1.21 0.00 0.00 61.69 58.94 1q5r s THR 21 Cb -0.14 -2.33 0.11 0.00 -1.51 0.00 0.00 72.50 68.63 1q5r s THR 21 CO -0.02 0.08 0.15 -1.58 -2.21 0.00 0.00 174.62 171.03 1q5r s GLN 22 N -2.21 0.33 3.62 7.08 0.74 0.07 -0.03 119.66 129.27 1q5r s GLN 22 Ca 0.19 -0.77 0.00 0.00 0.05 0.00 0.00 55.36 54.82 1q5r s GLN 22 Cb -0.10 -1.29 0.00 0.00 1.10 0.00 0.00 33.01 32.72 1q5r s GLN 22 CO 0.11 -1.06 0.00 0.41 -0.55 0.00 0.00 175.29 174.20 1q5r n GLY 23 N 4.93 0.52 0.81 2.59 0.00 -1.26 -2.89 105.19 109.90 1q5r n GLY 23 Ca -0.02 -1.01 0.12 0.00 0.00 0.00 0.00 46.02 45.12 1q5r n GLY 23 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1q5r n ASN 24 N 4.04 2.67 -4.84 1.61 6.94 -1.26 -4.94 115.26 119.47 1q5r n ASN 24 Ca 0.00 -1.84 -0.33 0.00 -0.02 0.00 0.00 54.58 52.39 1q5r n ASN 24 Cb 0.00 0.12 -0.06 0.00 -2.36 0.00 0.00 39.78 37.48 1q5r n ASN 24 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1q5r s LEU 25 N -2.13 4.11 -0.23 -4.53 1.43 -1.14 -5.03 118.68 111.15 1q5r s LEU 25 Ca 0.26 1.33 -0.20 0.00 -1.03 0.00 0.00 54.13 54.49 1q5r s LEU 25 Cb 0.20 -4.01 -0.02 0.00 0.03 0.00 0.00 46.19 42.38 1q5r s LEU 25 CO 0.37 -0.17 0.59 -0.63 0.23 0.00 0.00 176.35 176.75 1q5r s ILE 26 N -1.91 5.03 -0.13 -0.59 1.01 -1.26 -0.75 121.20 122.59 1q5r s ILE 26 Ca 0.52 1.07 0.06 0.00 0.00 0.00 0.00 60.65 62.30 1q5r s ILE 26 Cb -0.11 -3.90 -0.23 0.00 0.01 0.00 0.00 42.46 38.22 1q5r s ILE 26 CO 0.18 0.08 0.30 0.00 0.00 0.00 0.00 174.94 175.50 1q5r n ALA 27 N 5.39 1.30 -3.31 9.38 0.00 0.28 -4.91 120.51 128.64 1q5r n ALA 27 Ca -0.02 -0.88 -0.14 0.00 0.00 0.00 0.00 53.44 52.39 1q5r n ALA 27 Cb 0.49 -0.54 -0.08 0.00 0.00 0.00 0.00 19.45 19.32 1q5r n ALA 27 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1q5r s SER 28 N -6.33 -0.32 -0.03 0.00 0.15 -0.77 -4.97 113.70 101.42 1q5r s SER 28 Ca -0.16 0.29 0.05 0.00 0.70 0.00 0.00 55.95 56.83 1q5r s SER 28 Cb 0.07 0.41 0.08 0.00 -1.71 0.00 0.00 66.02 64.87 1q5r s SER 28 CO 0.77 -0.47 0.95 -1.14 1.20 0.00 0.00 173.24 174.55 1q5r n ARG 29 N 1.29 1.68 -2.43 5.44 0.63 -1.25 -0.92 116.66 121.10 1q5r n ARG 29 Ca -0.20 -1.54 -0.01 0.00 -0.92 0.00 0.00 57.85 55.18 1q5r n ARG 29 Cb 0.56 -0.98 0.04 0.00 0.45 0.00 0.00 32.46 32.53 1q5r n ARG 29 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1q5r n ASP 30 N -0.60 1.69 -4.69 6.15 3.85 -1.12 -4.68 116.55 117.15 1q5r n ASP 30 Ca 0.04 -2.18 -0.42 0.00 -0.71 0.00 0.00 54.79 51.51 1q5r n ASP 30 Cb 0.45 -0.43 -0.03 0.00 -1.35 0.00 0.00 41.12 39.76 1q5r n ASP 30 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1q5r s VAL 31 N -3.02 4.32 -0.49 2.12 1.01 -0.81 -4.99 120.40 118.55 1q5r s VAL 31 Ca 0.31 1.64 -0.21 0.00 0.00 0.00 0.00 61.98 63.72 1q5r s VAL 31 Cb 0.34 -4.05 0.04 0.00 0.00 0.00 0.00 36.38 32.71 1q5r s VAL 31 CO -0.06 0.03 0.70 -0.70 0.00 0.00 0.00 175.10 175.06 1q5r s GLU 32 N 1.92 3.23 0.00 2.72 2.12 -1.26 -4.27 118.70 123.16 1q5r s GLU 32 Ca 0.55 -0.54 0.22 0.00 0.36 0.00 0.00 54.97 55.56 1q5r s GLU 32 Cb -0.25 -4.03 0.02 0.00 0.26 0.00 0.00 34.13 30.14 1q5r s GLU 32 CO 0.23 -1.19 1.08 0.00 -0.54 0.00 0.00 175.26 174.84 1q5r n ALA 33 N 6.47 4.30 -2.84 6.30 0.00 -1.26 -4.88 120.51 128.61 1q5r n ALA 33 Ca -0.03 -0.52 -0.34 0.00 0.00 0.00 0.00 53.44 52.55 1q5r n ALA 33 Cb 0.47 -0.88 -0.11 0.00 0.00 0.00 0.00 19.45 18.92 1q5r n ALA 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1q5r s VAL 34 N -2.96 4.06 0.08 0.00 -7.23 -1.26 -3.28 120.40 109.81 1q5r s VAL 34 Ca 0.10 -0.31 0.06 0.00 -1.81 0.00 0.00 61.98 60.02 1q5r s VAL 34 Cb 0.17 -2.76 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 1q5r s VAL 34 CO 0.80 0.53 -0.17 -0.31 -0.31 0.00 0.00 175.10 175.63 1q5r s TYR 35 N -0.05 1.46 -0.46 2.82 1.51 -0.67 -4.99 117.35 116.96 1q5r s TYR 35 Ca 0.02 -0.43 -0.23 0.00 -1.01 0.00 0.00 57.07 55.42 1q5r s TYR 35 Cb -0.13 -0.82 0.03 0.00 -0.11 0.00 0.00 41.96 40.93 1q5r s TYR 35 CO 0.02 0.12 0.78 0.08 -1.11 0.00 0.00 175.55 175.44 1q5r s VAL 36 N -1.18 4.65 -0.05 0.71 1.01 -1.26 -1.29 120.40 122.99 1q5r s VAL 36 Ca 0.02 0.32 0.12 0.00 0.00 0.00 0.00 61.98 62.44 1q5r s VAL 36 Cb -0.10 -4.33 -0.06 0.00 0.00 0.00 0.00 36.38 31.89 1q5r s VAL 36 CO 0.03 -0.76 1.31 0.71 0.00 0.00 0.00 175.10 176.39 1q5r h THR 37 N 5.97 1.15 -1.48 3.92 1.35 -1.57 -3.48 112.91 118.77 1q5r h THR 37 Ca -0.25 -2.67 0.15 0.00 -0.55 0.00 0.00 66.41 63.09 1q5r h THR 37 Cb 1.09 2.55 -0.23 0.00 -1.73 0.00 0.00 68.15 69.83 1q5r h THR 37 CO 0.97 0.66 0.68 -0.62 -0.25 0.00 0.00 175.52 176.96 1q5r s ASP 38 N -6.49 -0.25 0.05 5.36 2.15 -0.73 -4.64 116.67 112.11 1q5r s ASP 38 Ca 0.02 0.22 0.00 0.00 0.43 0.00 0.00 52.55 53.22 1q5r s ASP 38 Cb 0.09 0.22 0.11 0.00 -0.30 0.00 0.00 42.92 43.04 1q5r s ASP 38 CO 0.78 -0.27 0.24 1.21 -0.17 0.00 0.00 175.17 176.96 1q5r n GLU 39 N 0.48 -0.01 -2.36 4.34 4.07 -1.26 -0.59 120.64 125.31 1q5r n GLU 39 Ca -0.06 0.23 -0.23 0.00 -0.06 0.00 0.00 57.16 57.04 1q5r n GLU 39 Cb 0.59 -0.36 0.01 0.00 -0.06 0.00 0.00 31.44 31.62 1q5r n GLU 39 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1q5r n TYR 40 N -3.97 2.85 -3.64 4.31 4.02 -1.26 -1.21 117.16 118.26 1q5r n TYR 40 Ca 0.03 -2.71 -0.05 0.00 -0.01 0.00 0.00 57.90 55.17 1q5r n TYR 40 Cb 0.11 -0.21 -0.06 0.00 -0.02 0.00 0.00 39.34 39.16 1q5r n TYR 40 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1q5r s SER 41 N -3.54 -0.16 0.14 7.72 1.04 0.25 -1.76 113.70 117.39 1q5r s SER 41 Ca 0.46 0.28 -0.01 0.00 0.48 0.00 0.00 55.95 57.16 1q5r s SER 41 Cb 0.40 0.27 -0.04 0.00 0.10 0.00 0.00 66.02 66.75 1q5r s SER 41 CO -0.08 -0.08 0.07 0.00 0.98 0.00 0.00 173.24 174.13 1q5r s ALA 42 N -0.21 0.92 -0.04 5.32 0.00 -0.45 -1.42 121.76 125.88 1q5r s ALA 42 Ca 0.06 -1.51 -0.21 0.00 0.00 0.00 0.00 51.96 50.30 1q5r s ALA 42 Cb -0.04 0.97 0.04 0.00 0.00 0.00 0.00 23.12 24.09 1q5r s ALA 42 CO -0.11 -0.51 0.45 0.00 0.00 0.00 0.00 175.76 175.59 1q5r s ALA 43 N -4.07 -1.15 0.12 0.00 0.00 -0.41 -0.96 121.76 115.28 1q5r s ALA 43 Ca 0.27 0.73 0.09 0.00 0.00 0.00 0.00 51.96 53.05 1q5r s ALA 43 Cb 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 1q5r s ALA 43 CO 0.04 -0.30 -0.18 0.20 0.00 0.00 0.00 175.76 175.52 1q5r s GLY 44 N -1.20 1.70 -0.05 0.00 0.00 -0.23 -1.68 107.32 105.86 1q5r s GLY 44 Ca -0.12 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.25 1q5r s GLY 44 CO 0.06 -1.33 -0.03 -0.42 0.00 0.00 0.00 173.10 171.38 1q5r s ILE 45 N -1.15 0.49 0.03 0.90 1.01 -1.20 -0.07 121.20 121.20 1q5r s ILE 45 Ca 0.18 -0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.81 1q5r s ILE 45 Cb -0.11 -0.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 1q5r s ILE 45 CO 0.10 0.23 -0.02 0.00 0.00 0.00 0.00 174.94 175.26 1q5r s ALA 46 N 1.25 3.21 0.00 9.38 0.00 -0.34 -4.50 121.76 130.76 1q5r s ALA 46 Ca -0.06 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1q5r s ALA 46 Cb -0.14 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.75 1q5r s ALA 46 CO -0.02 0.65 0.00 0.41 0.00 0.00 0.00 175.76 176.81 1q5r n GLY 47 N 1.18 0.73 3.43 0.00 0.00 -1.26 -0.14 105.19 109.13 1q5r n GLY 47 Ca -0.14 -2.10 -0.49 0.00 0.00 0.00 0.00 46.02 43.30 1q5r n GLY 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1q5r n THR 48 N 4.24 0.07 -0.32 2.61 -1.04 -0.88 0.37 114.28 119.33 1q5r n THR 48 Ca 0.00 -0.22 -0.09 0.00 -2.04 0.00 0.00 64.05 61.70 1q5r n THR 48 Cb 0.00 -1.32 -0.05 0.00 -1.82 0.00 0.00 70.33 67.14 1q5r n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1q5r h ALA 49 N 12.58 -0.37 -0.39 2.41 0.00 -1.40 0.49 119.26 132.58 1q5r h ALA 49 Ca -0.18 0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1q5r h ALA 49 Cb 1.33 1.16 -0.09 0.00 0.00 0.00 0.00 17.79 20.19 1q5r h ALA 49 CO 1.13 -0.87 -0.41 0.78 0.00 0.00 0.00 179.25 179.88 1q5r h GLY 50 N -0.11 -0.50 0.76 0.00 0.00 -1.87 0.29 103.07 101.63 1q5r h GLY 50 Ca 0.19 0.52 0.03 0.00 0.00 0.00 0.00 47.33 48.07 1q5r h GLY 50 CO -0.84 -0.19 0.05 -2.22 0.00 0.00 0.00 176.54 173.34 1q5r h ILE 51 N -0.32 0.90 -0.35 2.60 1.08 -1.68 -2.64 117.51 117.11 1q5r h ILE 51 Ca 0.14 -0.05 0.08 0.00 -0.39 0.00 0.00 64.86 64.64 1q5r h ILE 51 Cb 0.58 0.76 -0.08 0.00 -3.07 0.00 0.00 36.82 35.00 1q5r h ILE 51 CO -0.56 0.02 -0.20 0.00 -0.69 0.00 0.00 178.15 176.72 1q5r h ALA 52 N 1.16 0.04 0.25 1.87 0.00 0.15 -0.08 119.26 122.65 1q5r h ALA 52 Ca 0.10 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1q5r h ALA 52 Cb 0.09 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1q5r h ALA 52 CO -0.13 -0.59 -0.35 0.82 0.00 0.00 0.00 179.25 179.00 1q5r h ILE 53 N -0.15 0.27 -0.51 0.00 2.04 -0.79 -1.39 117.51 116.98 1q5r h ILE 53 Ca 0.18 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.13 1q5r h ILE 53 Cb 0.42 0.27 -0.08 0.00 -0.74 0.00 0.00 36.82 36.69 1q5r h ILE 53 CO -0.44 0.00 0.07 -0.08 0.00 0.00 0.00 178.15 177.70 1q5r h GLU 54 N -0.67 0.19 -0.15 2.37 4.81 -1.10 -2.19 114.58 117.84 1q5r h GLU 54 Ca -0.00 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1q5r h GLU 54 Cb 0.64 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 1q5r h GLU 54 CO -0.13 0.12 -0.07 1.25 -0.73 0.00 0.00 179.01 179.46 1q5r h LEU 55 N 0.19 -0.23 -0.93 1.64 5.85 -0.46 -1.73 115.31 119.65 1q5r h LEU 55 Ca 0.26 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 59.02 1q5r h LEU 55 Cb 0.37 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1q5r h LEU 55 CO -0.36 -0.09 0.47 1.62 -0.34 0.00 0.00 178.44 179.74 1q5r h VAL 56 N -0.05 1.26 0.52 1.05 3.04 -0.94 -1.47 116.25 119.66 1q5r h VAL 56 Ca 0.08 -0.65 -0.02 0.00 -1.01 0.00 0.00 66.70 65.11 1q5r h VAL 56 Cb 0.17 0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 29.52 1q5r h VAL 56 CO -0.19 0.29 -0.37 -0.09 -1.01 0.00 0.00 177.57 176.20 1q5r h ARG 57 N 1.24 -0.84 -0.61 4.17 2.43 -1.04 -0.90 114.38 118.83 1q5r h ARG 57 Ca 0.31 0.06 0.11 0.00 -0.81 0.00 0.00 59.98 59.65 1q5r h ARG 57 Cb 0.04 0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 29.70 1q5r h ARG 57 CO -0.05 -0.56 0.16 1.25 -1.51 0.00 0.00 179.97 179.26 1q5r h LEU 58 N -0.87 0.07 -0.83 3.80 5.85 -1.23 -1.01 115.31 121.09 1q5r h LEU 58 Ca -0.06 0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.86 1q5r h LEU 58 Cb 0.73 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.81 1q5r h LEU 58 CO 0.03 0.04 0.47 0.15 -0.34 0.00 0.00 178.44 178.79 1q5r h PHE 59 N 0.30 0.86 0.64 1.25 3.57 -0.73 0.24 116.94 123.07 1q5r h PHE 59 Ca 0.32 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.82 1q5r h PHE 59 Cb 0.46 -0.26 0.01 0.00 2.79 0.00 0.00 35.95 38.94 1q5r h PHE 59 CO -0.22 0.35 -0.31 0.00 -2.23 0.00 0.00 178.31 175.89 1q5r h ALA 60 N 1.46 -0.87 -0.87 2.41 0.00 0.08 -2.13 119.26 119.35 1q5r h ALA 60 Ca 0.40 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 55.28 1q5r h ALA 60 Cb 0.38 0.33 -0.10 0.00 0.00 0.00 0.00 17.79 18.40 1q5r h ALA 60 CO -0.25 -0.91 0.42 0.28 0.00 0.00 0.00 179.25 178.79 1q5r h VAL 61 N -1.02 0.64 -0.25 0.00 2.07 -0.85 0.23 116.25 117.07 1q5r h VAL 61 Ca -0.09 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.31 1q5r h VAL 61 Cb 0.70 0.05 -0.08 0.00 -1.52 0.00 0.00 31.29 30.45 1q5r h VAL 61 CO 0.15 0.10 -0.32 -0.33 0.02 0.00 0.00 177.57 177.19 1q5r h GLU 62 N 0.54 -0.31 0.38 1.57 4.39 -0.20 0.12 114.58 121.07 1q5r h GLU 62 Ca 0.50 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.20 1q5r h GLU 62 Cb 0.80 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1q5r h GLU 62 CO -0.42 -0.21 -0.18 -0.07 -1.16 0.00 0.00 179.01 176.97 1q5r h LEU 63 N -0.32 -0.43 -0.50 1.33 3.38 -0.47 -2.67 115.31 115.63 1q5r h LEU 63 Ca 0.13 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1q5r h LEU 63 Cb 0.53 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1q5r h LEU 63 CO -0.43 -0.21 0.25 -0.08 0.09 0.00 0.00 178.44 178.06 1q5r h GLU 64 N -0.63 0.48 -0.50 1.13 4.81 -0.72 -2.31 114.58 116.84 1q5r h GLU 64 Ca -0.05 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1q5r h GLU 64 Cb 0.46 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 1q5r h GLU 64 CO 0.09 0.32 0.32 1.25 -0.73 0.00 0.00 179.01 180.25 1q5r h HIS 65 N 0.50 0.60 -0.89 0.92 2.76 -0.81 -1.17 115.15 117.06 1q5r h HIS 65 Ca 0.22 0.02 0.13 0.00 -2.20 0.00 0.00 60.37 58.54 1q5r h HIS 65 Cb 0.12 -0.20 -0.09 0.00 1.55 0.00 0.00 27.41 28.79 1q5r h HIS 65 CO -0.10 0.36 0.50 -0.92 -1.30 0.00 0.00 177.93 176.47 1q5r h TYR 66 N 0.64 0.88 0.44 5.26 3.20 -1.06 -0.15 116.97 126.19 1q5r h TYR 66 Ca 0.19 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1q5r h TYR 66 Cb -0.03 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 37.98 1q5r h TYR 66 CO -0.05 0.27 -0.21 1.49 -1.64 0.00 0.00 178.16 178.02 1q5r h GLU 67 N 0.74 -0.57 -0.18 1.82 4.81 -1.01 0.17 114.58 120.36 1q5r h GLU 67 Ca 0.47 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.79 1q5r h GLU 67 Cb 0.58 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 1q5r h GLU 67 CO -0.32 -0.27 0.27 0.87 -0.73 0.00 0.00 179.01 178.84 1q5r h LYS 68 N -0.89 0.00 0.00 1.92 1.57 -0.75 0.78 116.57 119.20 1q5r h LYS 68 Ca -0.06 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1q5r h LYS 68 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1q5r h LYS 68 CO 0.10 0.00 -0.35 0.82 -0.57 0.00 0.00 179.45 179.45 1q5r h ILE 69 N 0.00 0.03 0.00 1.86 1.08 -0.70 -3.38 117.51 116.39 1q5r h ILE 69 Ca 0.08 -1.03 0.00 0.00 -0.39 0.00 0.00 64.86 63.53 1q5r h ILE 69 Cb 0.63 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.44 1q5r h ILE 69 CO -0.00 0.01 0.00 -0.62 -0.69 0.00 0.00 178.15 176.85 1q5r n GLU 70 N -4.67 0.13 -0.88 2.37 -0.58 0.56 -4.89 120.64 112.69 1q5r n GLU 70 Ca -0.05 0.26 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 1q5r n GLU 70 Cb 0.19 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.36 1q5r n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1q5r n GLY 71 N 0.53 0.86 3.13 0.62 0.00 0.27 -4.97 105.19 105.63 1q5r n GLY 71 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1q5r n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q5r s VAL 72 N -3.42 0.71 0.63 1.61 1.01 -1.23 -4.99 120.40 114.72 1q5r s VAL 72 Ca 0.00 -1.52 -0.05 0.00 0.00 0.00 0.00 61.98 60.40 1q5r s VAL 72 Cb 0.00 -1.18 0.03 0.00 0.00 0.00 0.00 36.38 35.23 1q5r s VAL 72 CO 0.00 -0.59 0.93 -2.16 0.00 0.00 0.00 175.10 173.28 1q5r s PRO 73 N -2.66 2.59 0.49 2.72 0.04 -1.26 -3.75 135.00 133.16 1q5r s PRO 73 Ca 0.02 -0.19 -0.18 0.00 0.04 0.00 0.00 61.00 60.69 1q5r s PRO 73 Cb -0.03 -2.26 -0.09 0.00 0.04 0.00 0.00 34.50 32.16 1q5r s PRO 73 CO -0.01 -0.91 0.97 -0.51 0.04 0.00 0.00 177.00 176.58 1q5r s LEU 74 N -5.06 3.73 0.84 -3.56 1.43 -1.26 -5.00 118.68 109.79 1q5r s LEU 74 Ca 0.57 1.61 -0.11 0.00 -1.03 0.00 0.00 54.13 55.16 1q5r s LEU 74 Cb -0.11 -4.51 0.10 0.00 0.03 0.00 0.00 46.19 41.70 1q5r s LEU 74 CO 0.44 -0.51 1.14 -0.89 0.23 0.00 0.00 176.35 176.76 1q5r s THR 75 N -2.48 2.44 0.09 5.49 2.01 -1.26 -4.74 115.64 117.19 1q5r s THR 75 Ca 0.60 0.16 -0.24 0.00 0.31 0.00 0.00 61.69 62.51 1q5r s THR 75 Cb -0.10 -2.40 -0.13 0.00 0.01 0.00 0.00 72.50 69.88 1q5r s THR 75 CO 0.25 -0.17 1.72 0.15 -0.69 0.00 0.00 174.62 175.87 1q5r h PHE 76 N -1.37 -0.16 -0.95 4.92 3.57 -1.96 0.77 116.94 121.77 1q5r h PHE 76 Ca -0.44 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.18 1q5r h PHE 76 Cb 1.26 0.06 -0.08 0.00 2.79 0.00 0.00 35.95 39.98 1q5r h PHE 76 CO 0.52 -0.10 0.57 -0.44 -2.23 0.00 0.00 178.31 176.63 1q5r h ASP 77 N -0.14 0.82 -0.49 0.41 5.19 -1.99 0.25 116.42 120.48 1q5r h ASP 77 Ca 0.00 0.05 0.03 0.00 -0.62 0.00 0.00 57.03 56.50 1q5r h ASP 77 Cb 0.13 -0.11 -0.04 0.00 0.18 0.00 0.00 39.33 39.50 1q5r h ASP 77 CO -0.02 0.43 0.27 1.23 -3.12 0.00 0.00 179.24 178.04 1q5r h GLY 78 N 0.90 0.68 1.16 2.75 0.00 -1.64 0.24 103.07 107.16 1q5r h GLY 78 Ca 0.47 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.58 1q5r h GLY 78 CO -0.28 0.16 0.38 0.50 0.00 0.00 0.00 176.54 177.30 1q5r h LYS 79 N 0.54 1.09 -0.32 4.80 1.57 0.16 -1.68 116.57 122.73 1q5r h LYS 79 Ca 0.20 -0.15 -0.13 0.00 -1.87 0.00 0.00 60.65 58.70 1q5r h LYS 79 Cb 0.06 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1q5r h LYS 79 CO -0.11 0.83 -0.35 0.00 -0.57 0.00 0.00 179.45 179.25 1q5r h ALA 80 N 1.33 0.79 0.00 3.86 0.00 0.31 -2.47 119.26 123.08 1q5r h ALA 80 Ca 0.27 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1q5r h ALA 80 Cb 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1q5r h ALA 80 CO -0.04 0.65 -0.30 -0.97 0.00 0.00 0.00 179.25 178.59 1q5r h ASN 81 N 0.60 0.00 -0.12 0.00 -0.00 0.03 -2.26 115.58 113.84 1q5r h ASN 81 Ca 0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 56.30 56.25 1q5r h ASN 81 Cb 0.87 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.20 1q5r h ASN 81 CO 0.08 0.30 -0.35 0.03 -0.00 0.00 0.00 177.43 177.49 1q5r h ARG 82 N 0.00 0.45 -0.91 6.67 2.47 -1.09 -2.62 114.38 119.34 1q5r h ARG 82 Ca -0.00 -0.32 0.09 0.00 -1.26 0.00 0.00 59.98 58.48 1q5r h ARG 82 Cb 0.57 0.05 -0.06 0.00 -1.65 0.00 0.00 29.97 28.87 1q5r h ARG 82 CO 0.04 0.94 0.59 1.25 0.56 0.00 0.00 179.97 183.35 1q5r h LEU 83 N 0.04 0.85 0.74 3.04 6.46 -1.12 -1.23 115.31 124.09 1q5r h LEU 83 Ca -0.01 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.74 1q5r h LEU 83 Cb 0.96 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.74 1q5r h LEU 83 CO 0.07 0.51 -0.40 0.00 -0.62 0.00 0.00 178.44 178.00 1q5r h ALA 84 N 1.54 -1.07 -0.97 1.25 0.00 -1.33 0.17 119.26 118.83 1q5r h ALA 84 Ca 0.42 -0.22 0.33 0.00 0.00 0.00 0.00 54.91 55.43 1q5r h ALA 84 Cb 0.35 0.47 -0.17 0.00 0.00 0.00 0.00 17.79 18.44 1q5r h ALA 84 CO -0.18 -1.11 0.34 0.77 0.00 0.00 0.00 179.25 179.07 1q5r h SER 85 N -1.06 0.07 -0.07 0.00 0.02 -0.87 0.39 113.55 112.03 1q5r h SER 85 Ca -0.10 0.24 -0.08 0.00 -0.84 0.00 0.00 61.79 61.02 1q5r h SER 85 Cb 0.83 0.31 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1q5r h SER 85 CO 0.13 -0.31 -0.25 0.24 -1.14 0.00 0.00 176.83 175.50 1q5r h MET 86 N 0.10 0.29 -0.21 3.45 2.07 -0.79 -2.85 114.93 117.00 1q5r h MET 86 Ca 0.70 -0.22 0.03 0.00 -2.07 0.00 0.00 59.70 58.15 1q5r h MET 86 Cb 1.64 0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 31.38 1q5r h MET 86 CO -0.76 0.85 0.00 0.28 1.07 0.00 0.00 176.91 178.35 1q5r h VAL 87 N -0.22 0.85 -0.78 -2.22 2.07 0.13 -0.45 116.25 115.64 1q5r h VAL 87 Ca -0.01 -0.02 0.23 0.00 0.82 0.00 0.00 66.70 67.71 1q5r h VAL 87 Cb 0.89 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1q5r h VAL 87 CO 0.05 0.01 0.67 -0.09 0.02 0.00 0.00 177.57 178.24 1q5r h ARG 88 N 0.07 0.00 0.00 1.57 2.43 -0.39 0.46 114.38 118.52 1q5r h ARG 88 Ca 0.10 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.15 1q5r h ARG 88 Cb 0.12 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1q5r h ARG 88 CO -0.16 0.00 -0.58 0.78 -1.51 0.00 0.00 179.97 178.50 1q5r h GLY 89 N 0.00 0.00 0.91 2.80 0.00 -0.83 -3.06 103.07 102.90 1q5r h GLY 89 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1q5r h GLY 89 CO -0.00 0.00 -0.04 -2.01 0.00 0.00 0.00 176.54 174.49 1q5r n ASN 90 N -3.43 0.34 -0.36 0.19 5.15 0.16 -3.67 115.26 113.63 1q5r n ASN 90 Ca 0.00 -0.73 0.32 0.00 -0.60 0.00 0.00 54.58 53.57 1q5r n ASN 90 Cb 0.68 -0.08 0.66 0.00 -0.53 0.00 0.00 39.78 40.51 1q5r n ASN 90 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1q5r h LEU 91 N 0.47 0.18 -0.17 1.20 7.12 -1.45 0.25 115.31 122.91 1q5r h LEU 91 Ca 0.00 0.05 -0.04 0.00 0.13 0.00 0.00 57.88 58.02 1q5r h LEU 91 Cb 0.24 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.39 1q5r h LEU 91 CO 0.00 0.01 -0.04 1.23 -0.13 0.00 0.00 178.44 179.50 1q5r h GLY 92 N 0.14 0.36 2.00 3.75 0.00 -1.85 -2.14 103.07 105.34 1q5r h GLY 92 Ca 0.63 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.60 1q5r h GLY 92 CO -0.16 0.28 -0.27 0.00 0.00 0.00 0.00 176.54 176.39 1q5r h ALA 93 N 0.72 1.08 0.09 3.60 0.00 -0.93 -2.89 119.26 120.93 1q5r h ALA 93 Ca 0.04 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1q5r h ALA 93 Cb 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1q5r h ALA 93 CO 0.02 0.33 -0.04 0.00 0.00 0.00 0.00 179.25 179.56 1q5r h ALA 94 N 1.73 -0.12 0.00 0.00 0.00 -0.69 0.48 119.26 120.65 1q5r h ALA 94 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1q5r h ALA 94 Cb 0.72 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1q5r h ALA 94 CO 0.03 -0.44 0.00 -1.33 0.00 0.00 0.00 179.25 177.51 1q5r n MET 95 N -5.03 0.00 -0.53 0.00 2.81 -0.82 -0.85 117.12 112.70 1q5r n MET 95 Ca -0.08 0.38 0.08 0.00 -1.81 0.00 0.00 57.70 56.27 1q5r n MET 95 Cb 0.17 -1.50 0.30 0.00 -0.71 0.00 0.00 33.22 31.48 1q5r n MET 95 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1q5r n GLN 96 N -1.50 3.50 -0.37 0.03 6.02 -0.94 -4.93 117.38 119.19 1q5r n GLN 96 Ca 0.02 -2.80 0.00 0.00 -0.01 0.00 0.00 57.00 54.21 1q5r n GLN 96 Cb 0.08 -1.85 0.00 0.00 1.02 0.00 0.00 30.24 29.49 1q5r n GLN 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1q5r n GLY 97 N 0.23 0.84 2.24 1.08 0.00 -0.03 -4.95 105.19 104.60 1q5r n GLY 97 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 1q5r n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q5r n LEU 98 N 0.00 7.04 -4.78 0.99 4.32 0.16 -4.88 117.00 119.85 1q5r n LEU 98 Ca 0.00 -4.34 -0.32 0.00 -0.02 0.00 0.00 56.01 51.33 1q5r n LEU 98 Cb 0.00 -0.84 0.06 0.00 -1.62 0.00 0.00 43.42 41.02 1q5r n LEU 98 CO 0.00 1.58 0.72 0.00 -1.22 0.00 0.00 177.39 178.47 1q5r s ALA 99 N -3.75 2.47 -0.15 -1.18 0.00 -1.23 -4.21 121.76 113.71 1q5r s ALA 99 Ca 0.61 0.37 -0.14 0.00 0.00 0.00 0.00 51.96 52.80 1q5r s ALA 99 Cb 0.49 -3.27 0.04 0.00 0.00 0.00 0.00 23.12 20.38 1q5r s ALA 99 CO 0.01 -1.36 0.41 0.14 0.00 0.00 0.00 175.76 174.95 1q5r s VAL 100 N -2.64 -0.00 -0.07 0.00 -7.23 -1.26 -2.07 120.40 107.13 1q5r s VAL 100 Ca 0.63 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.81 1q5r s VAL 100 Cb -0.18 -0.57 0.02 0.00 0.56 0.00 0.00 36.38 36.21 1q5r s VAL 100 CO 0.47 0.00 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.53 1q5r s VAL 101 N 0.25 0.66 0.45 1.32 1.01 0.80 -4.90 120.40 119.99 1q5r s VAL 101 Ca -0.00 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1q5r s VAL 101 Cb -0.03 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.65 1q5r s VAL 101 CO 0.00 0.28 0.65 -2.16 0.00 0.00 0.00 175.10 173.87 1q5r s PRO 102 N 1.30 2.96 -0.14 2.72 0.04 -1.26 -1.20 135.00 139.43 1q5r s PRO 102 Ca -0.04 -0.67 -0.02 0.00 0.04 0.00 0.00 61.00 60.31 1q5r s PRO 102 Cb -0.14 -2.60 0.04 0.00 0.04 0.00 0.00 34.50 31.84 1q5r s PRO 102 CO -0.02 -0.30 -0.01 -1.17 0.04 0.00 0.00 177.00 175.55 1q5r s LEU 103 N -4.52 1.07 -0.13 -3.56 0.20 0.90 -3.61 118.68 109.03 1q5r s LEU 103 Ca 0.50 -0.48 -0.03 0.00 0.69 0.00 0.00 54.13 54.80 1q5r s LEU 103 Cb -0.10 -0.63 -0.03 0.00 -0.43 0.00 0.00 46.19 45.00 1q5r s LEU 103 CO 0.37 -0.22 -0.01 -0.22 -0.29 0.00 0.00 176.35 175.97 1q5r s LEU 104 N 1.84 3.46 0.10 -0.68 2.96 -0.27 -1.07 118.68 125.02 1q5r s LEU 104 Ca 0.02 0.01 0.05 0.00 -0.22 0.00 0.00 54.13 53.99 1q5r s LEU 104 Cb -0.15 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 1q5r s LEU 104 CO -0.07 0.25 -0.14 0.68 -1.32 0.00 0.00 176.35 175.76 1q5r s VAL 105 N -0.13 1.22 -0.02 1.68 -7.23 -0.14 -0.13 120.40 115.66 1q5r s VAL 105 Ca 0.04 -1.57 -0.29 0.00 -1.81 0.00 0.00 61.98 58.34 1q5r s VAL 105 Cb -0.13 -1.36 0.10 0.00 0.56 0.00 0.00 36.38 35.55 1q5r s VAL 105 CO 0.02 -0.37 0.94 -0.83 -0.31 0.00 0.00 175.10 174.55 1q5r s GLY 106 N -2.22 -0.42 -0.55 2.32 0.00 -0.93 -1.34 107.32 104.18 1q5r s GLY 106 Ca 0.05 1.01 -0.18 0.00 0.00 0.00 0.00 44.72 45.60 1q5r s GLY 106 CO 0.02 0.33 0.61 -0.47 0.00 0.00 0.00 173.10 173.60 1q5r s TYR 107 N -3.03 3.08 -0.60 1.90 5.04 -0.72 -1.46 117.35 121.55 1q5r s TYR 107 Ca 0.06 -0.93 -0.26 0.00 -2.44 0.00 0.00 57.07 53.50 1q5r s TYR 107 Cb -0.01 -3.78 -0.04 0.00 0.35 0.00 0.00 41.96 38.48 1q5r s TYR 107 CO -0.07 -1.13 2.07 0.34 -1.34 0.00 0.00 175.55 175.41 1q5r s ASP 108 N 3.31 4.93 0.48 4.32 2.15 0.11 -4.81 116.67 127.16 1q5r s ASP 108 Ca 0.10 0.50 0.15 0.00 0.43 0.00 0.00 52.55 53.72 1q5r s ASP 108 Cb -0.24 -2.52 1.14 0.00 -0.30 0.00 0.00 42.92 41.00 1q5r s ASP 108 CO 0.07 -2.63 2.08 -0.07 -0.17 0.00 0.00 175.17 174.44 1q5r h LEU 109 N 17.82 0.18 -3.24 -1.34 4.07 -1.94 -1.46 115.31 129.40 1q5r h LEU 109 Ca -0.22 -0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.42 1q5r h LEU 109 Cb 1.18 -0.04 -0.17 0.00 1.08 0.00 0.00 40.66 42.70 1q5r h LEU 109 CO 1.19 0.12 0.40 0.47 -1.08 0.00 0.00 178.44 179.55 1q5r n ASP 110 N -4.49 4.17 -4.96 -0.43 8.00 -1.26 -4.92 116.55 112.66 1q5r n ASP 110 Ca 0.03 -2.98 -0.22 0.00 0.71 0.00 0.00 54.79 52.33 1q5r n ASP 110 Cb 0.21 -0.77 -0.02 0.00 -0.02 0.00 0.00 41.12 40.51 1q5r n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q5r s ALA 111 N -1.95 3.92 -0.02 2.24 0.00 -0.55 -5.06 121.76 120.33 1q5r s ALA 111 Ca 0.34 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 1q5r s ALA 111 Cb 0.28 -1.72 -0.00 0.00 0.00 0.00 0.00 23.12 21.68 1q5r s ALA 111 CO 0.05 0.28 -0.02 -0.44 0.00 0.00 0.00 175.76 175.63 1q5r h ASP 112 N 1.32 0.00 -1.36 0.00 3.32 -1.91 -3.43 116.42 114.36 1q5r h ASP 112 Ca -0.51 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.17 1q5r h ASP 112 Cb 1.23 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1q5r h ASP 112 CO 0.62 0.13 1.12 -1.81 -1.72 0.00 0.00 179.24 177.57 1q5r s ASP 113 N -3.73 4.72 0.00 6.45 1.01 -1.26 -4.76 116.67 119.10 1q5r s ASP 113 Ca -0.01 0.37 0.00 0.00 0.71 0.00 0.00 52.55 53.62 1q5r s ASP 113 Cb 0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 1q5r s ASP 113 CO 0.02 -2.88 0.95 -0.62 0.21 0.00 0.00 175.17 172.85 1q5r n GLU 114 N 9.01 0.00 -0.01 8.23 -0.58 -1.26 0.11 120.64 136.14 1q5r n GLU 114 Ca 0.34 0.45 -0.03 0.00 -0.42 0.00 0.00 57.16 57.50 1q5r n GLU 114 Cb 0.51 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.75 1q5r n GLU 114 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1q5r n SER 115 N -1.45 0.55 -1.18 1.62 3.41 -1.26 -4.13 113.62 111.17 1q5r n SER 115 Ca 0.00 0.25 0.08 0.00 -0.26 0.00 0.00 58.87 58.94 1q5r n SER 115 Cb 0.00 0.55 0.29 0.00 -0.26 0.00 0.00 64.21 64.78 1q5r n SER 115 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1q5r n ARG 116 N -2.80 3.39 0.28 4.33 5.12 0.12 -4.50 116.66 122.60 1q5r n ARG 116 Ca -0.16 -2.71 0.19 0.00 -1.93 0.00 0.00 57.85 53.24 1q5r n ARG 116 Cb 0.92 -1.77 0.93 0.00 -1.16 0.00 0.00 32.46 31.38 1q5r n ARG 116 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1q5r h ALA 117 N 2.91 1.00 -2.75 7.54 0.00 -1.23 -3.43 119.26 123.31 1q5r h ALA 117 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 1q5r h ALA 117 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1q5r h ALA 117 CO 0.20 0.00 0.43 0.20 0.00 0.00 0.00 179.25 180.08 1q5r s GLY 118 N -4.03 3.03 0.03 0.00 0.00 -1.26 0.09 107.32 105.19 1q5r s GLY 118 Ca -0.02 0.78 0.01 0.00 0.00 0.00 0.00 44.72 45.49 1q5r s GLY 118 CO 0.42 1.44 -0.06 0.50 0.00 0.00 0.00 173.10 175.40 1q5r s ARG 119 N -1.06 0.43 -0.08 2.90 0.52 -0.54 -4.93 118.95 116.20 1q5r s ARG 119 Ca 0.45 -0.70 0.02 0.00 -0.52 0.00 0.00 55.73 54.97 1q5r s ARG 119 Cb -0.29 -0.10 0.02 0.00 0.52 0.00 0.00 34.95 35.09 1q5r s ARG 119 CO 0.36 0.00 -0.11 0.42 0.02 0.00 0.00 175.30 175.99 1q5r s ILE 120 N -1.48 1.13 -0.10 1.52 1.01 -1.26 -2.18 121.20 119.85 1q5r s ILE 120 Ca -0.12 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.10 1q5r s ILE 120 Cb -0.10 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 41.33 1q5r s ILE 120 CO -0.00 0.36 -0.15 -0.69 0.00 0.00 0.00 174.94 174.45 1q5r s VAL 121 N 0.90 1.48 0.29 2.92 1.01 0.82 -1.20 120.40 126.62 1q5r s VAL 121 Ca -0.10 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.30 1q5r s VAL 121 Cb -0.15 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 1q5r s VAL 121 CO 0.01 0.44 0.35 -0.94 0.00 0.00 0.00 175.10 174.95 1q5r s SER 122 N 0.89 5.86 0.22 3.32 1.04 -0.52 -1.11 113.70 123.41 1q5r s SER 122 Ca -0.09 -0.18 0.03 0.00 0.48 0.00 0.00 55.95 56.20 1q5r s SER 122 Cb -0.15 -1.42 -0.05 0.00 0.10 0.00 0.00 66.02 64.50 1q5r s SER 122 CO 0.00 -0.22 -0.01 -0.31 0.98 0.00 0.00 173.24 173.68 1q5r s TYR 123 N -2.13 1.52 0.54 5.02 1.51 -1.24 -1.10 117.35 121.47 1q5r s TYR 123 Ca 0.38 -0.92 0.08 0.00 -1.01 0.00 0.00 57.07 55.60 1q5r s TYR 123 Cb -0.08 -0.87 0.09 0.00 -0.11 0.00 0.00 41.96 40.98 1q5r s TYR 123 CO 0.28 -0.05 0.74 -0.25 -1.11 0.00 0.00 175.55 175.17 1q5r n ASP 124 N -0.39 1.88 -0.00 2.29 10.43 -0.83 -4.91 116.55 125.02 1q5r n ASP 124 Ca -0.05 -2.38 0.10 0.00 2.57 0.00 0.00 54.79 55.02 1q5r n ASP 124 Cb 0.64 -0.40 -0.13 0.00 1.84 0.00 0.00 41.12 43.06 1q5r n ASP 124 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 1q5r n VAL 125 N -2.19 0.00 0.91 2.53 0.24 -1.26 -4.00 118.33 114.56 1q5r n VAL 125 Ca 0.15 -0.22 0.11 0.00 -2.04 0.00 0.00 64.34 62.33 1q5r n VAL 125 Cb 0.55 0.57 0.31 0.00 -1.47 0.00 0.00 33.84 33.80 1q5r n VAL 125 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1q5r n VAL 126 N -1.80 0.32 -0.28 3.34 0.24 -1.26 -4.31 118.33 114.59 1q5r n VAL 126 Ca 0.00 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 1q5r n VAL 126 Cb 0.41 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 1q5r n VAL 126 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q5r n GLY 127 N 1.25 0.85 3.85 7.63 0.00 -1.26 -4.66 105.19 112.86 1q5r n GLY 127 Ca 0.17 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1q5r n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1q5r s GLY 128 N -2.09 2.01 0.07 -0.02 0.00 -1.26 -4.73 107.32 101.30 1q5r s GLY 128 Ca 0.00 0.09 0.07 0.00 0.00 0.00 0.00 44.72 44.88 1q5r s GLY 128 CO 0.00 0.35 -0.18 1.09 0.00 0.00 0.00 173.10 174.36 1q5r s ARG 129 N -4.12 1.07 -0.01 2.90 1.70 -1.26 -1.96 118.95 117.27 1q5r s ARG 129 Ca 0.57 -1.00 0.01 0.00 -0.47 0.00 0.00 55.73 54.85 1q5r s ARG 129 Cb -0.10 -1.20 0.00 0.00 -0.57 0.00 0.00 34.95 33.08 1q5r s ARG 129 CO 0.33 0.29 -0.05 0.71 -1.08 0.00 0.00 175.30 175.50 1q5r s TYR 130 N -1.06 0.52 -0.13 5.89 1.51 -0.26 -4.98 117.35 118.85 1q5r s TYR 130 Ca 0.04 -0.10 -0.27 0.00 -1.01 0.00 0.00 57.07 55.72 1q5r s TYR 130 Cb -0.09 -0.39 -0.02 0.00 -0.11 0.00 0.00 41.96 41.36 1q5r s TYR 130 CO 0.03 -0.05 0.90 -1.21 -1.11 0.00 0.00 175.55 174.11 1q5r s GLU 131 N 0.15 4.37 -0.06 -0.62 0.41 -1.26 -1.44 118.70 120.24 1q5r s GLU 131 Ca -0.01 1.18 -0.07 0.00 -0.41 0.00 0.00 54.97 55.66 1q5r s GLU 131 Cb -0.05 -3.55 -0.04 0.00 -1.78 0.00 0.00 34.13 28.72 1q5r s GLU 131 CO -0.00 -0.28 0.29 0.93 -0.49 0.00 0.00 175.26 175.71 1q5r h GLU 132 N 7.16 -0.23 -6.68 1.61 4.39 -1.55 -3.48 114.58 115.81 1q5r h GLU 132 Ca -0.31 0.02 -0.54 0.00 0.34 0.00 0.00 59.36 58.86 1q5r h GLU 132 Cb 1.15 0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 29.76 1q5r h GLU 132 CO 0.83 -0.15 -0.92 2.89 -1.16 0.00 0.00 179.01 180.50 1q5r n ARG 133 N -4.63 -2.31 0.00 2.33 1.85 -1.26 -4.77 116.66 107.87 1q5r n ARG 133 Ca -0.03 0.30 0.00 0.00 -1.00 0.00 0.00 57.85 57.12 1q5r n ARG 133 Cb 0.09 -4.12 0.00 0.00 -1.05 0.00 0.00 32.46 27.39 1q5r n ARG 133 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1q5r n ALA 134 N -4.48 0.50 0.00 2.89 0.00 -1.26 -4.99 120.51 113.17 1q5r n ALA 134 Ca -0.29 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1q5r n ALA 134 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 1q5r n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q5r n GLY 135 N 0.02 2.96 3.48 0.00 0.00 -1.26 -4.98 105.19 105.40 1q5r n GLY 135 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1q5r n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1q5r s TYR 136 N -2.18 0.23 0.03 1.61 -0.85 -1.26 -0.34 117.35 114.60 1q5r s TYR 136 Ca 0.00 -0.59 -0.28 0.00 -0.52 0.00 0.00 57.07 55.68 1q5r s TYR 136 Cb 0.00 0.16 0.09 0.00 0.38 0.00 0.00 41.96 42.59 1q5r s TYR 136 CO 0.00 -0.87 0.99 -1.58 -1.52 0.00 0.00 175.55 172.57 1q5r s HIS 137 N -3.96 -0.22 0.25 -3.49 2.46 -0.21 -4.91 115.29 105.23 1q5r s HIS 137 Ca 0.17 0.03 -0.08 0.00 0.47 0.00 0.00 55.06 55.65 1q5r s HIS 137 Cb 0.01 0.57 -0.01 0.00 -0.13 0.00 0.00 32.58 33.02 1q5r s HIS 137 CO 0.02 -0.58 0.39 0.00 -2.47 0.00 0.00 174.74 172.10 1q5r s ALA 138 N -3.04 0.31 -0.01 1.58 0.00 -1.26 -0.05 121.76 119.29 1q5r s ALA 138 Ca 0.09 -1.21 -0.26 0.00 0.00 0.00 0.00 51.96 50.58 1q5r s ALA 138 Cb -0.01 1.17 0.06 0.00 0.00 0.00 0.00 23.12 24.34 1q5r s ALA 138 CO -0.04 -0.78 0.57 0.14 0.00 0.00 0.00 175.76 175.65 1q5r s VAL 139 N -3.87 0.02 0.00 0.00 -7.23 -0.43 -4.94 120.40 103.95 1q5r s VAL 139 Ca 0.28 -0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.31 1q5r s VAL 139 Cb 0.01 -0.93 0.00 0.00 0.56 0.00 0.00 36.38 36.02 1q5r s VAL 139 CO 0.12 -0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 1q5r n GLY 140 N 0.77 2.01 0.30 2.32 0.00 -1.26 -0.38 105.19 108.95 1q5r n GLY 140 Ca -0.19 -2.01 0.04 0.00 0.00 0.00 0.00 46.02 43.86 1q5r n GLY 140 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1q5r h SER 141 N 0.00 -0.64 0.68 1.61 4.64 -1.85 0.32 113.55 118.30 1q5r h SER 141 Ca 0.00 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1q5r h SER 141 Cb 0.00 0.47 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1q5r h SER 141 CO 0.00 -0.26 0.00 0.61 -0.87 0.00 0.00 176.83 176.31 1q5r n GLY 142 N -1.51 -1.31 0.32 -0.77 0.00 -1.26 -4.13 105.19 96.53 1q5r n GLY 142 Ca 0.13 -0.12 0.19 0.00 0.00 0.00 0.00 46.02 46.22 1q5r n GLY 142 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1q5r h SER 143 N 0.00 0.12 0.03 1.61 4.64 -0.56 0.64 113.55 120.03 1q5r h SER 143 Ca 0.00 0.22 0.02 0.00 -0.47 0.00 0.00 61.79 61.55 1q5r h SER 143 Cb 0.34 0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 1q5r h SER 143 CO 0.00 -0.22 -0.12 0.25 -0.87 0.00 0.00 176.83 175.87 1q5r h LEU 144 N 0.18 -0.34 0.23 5.97 7.12 -1.76 0.32 115.31 127.03 1q5r h LEU 144 Ca 0.66 0.05 -0.01 0.00 0.13 0.00 0.00 57.88 58.70 1q5r h LEU 144 Cb 1.47 0.14 0.00 0.00 -0.53 0.00 0.00 40.66 41.74 1q5r h LEU 144 CO -0.70 -0.17 -0.11 -0.26 -0.13 0.00 0.00 178.44 177.07 1q5r h PHE 145 N -0.22 -0.28 -0.54 1.25 -1.00 -1.34 -2.88 116.94 111.93 1q5r h PHE 145 Ca 0.03 -0.01 0.10 0.00 2.81 0.00 0.00 57.97 60.91 1q5r h PHE 145 Cb 0.26 0.09 -0.11 0.00 3.61 0.00 0.00 35.95 39.80 1q5r h PHE 145 CO -0.16 0.06 -0.25 0.00 -1.61 0.00 0.00 178.31 176.35 1q5r h ALA 146 N -0.02 0.12 -0.90 2.45 0.00 -0.88 0.13 119.26 120.16 1q5r h ALA 146 Ca -0.03 0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.15 1q5r h ALA 146 Cb 0.47 0.61 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 1q5r h ALA 146 CO 0.05 -0.58 0.55 0.87 0.00 0.00 0.00 179.25 180.14 1q5r h LYS 147 N -0.12 0.91 0.00 0.00 1.57 -0.96 -0.93 116.57 117.03 1q5r h LYS 147 Ca 0.24 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1q5r h LYS 147 Cb 0.50 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1q5r h LYS 147 CO -0.61 0.60 -0.29 0.77 -0.57 0.00 0.00 179.45 179.35 1q5r h SER 148 N 0.93 0.00 -0.06 0.86 0.02 -0.58 -0.10 113.55 114.62 1q5r h SER 148 Ca 0.42 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.25 1q5r h SER 148 Cb 0.33 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.87 1q5r h SER 148 CO -0.23 0.29 -0.43 0.00 -1.14 0.00 0.00 176.83 175.33 1q5r h ALA 149 N 1.71 0.13 -0.44 3.77 0.00 0.07 -3.13 119.26 121.37 1q5r h ALA 149 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1q5r h ALA 149 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1q5r h ALA 149 CO 0.04 0.27 0.29 -0.07 0.00 0.00 0.00 179.25 179.78 1q5r h LEU 150 N -0.09 0.51 -2.09 0.00 -0.00 -0.85 0.87 115.31 113.66 1q5r h LEU 150 Ca -0.04 -0.01 0.09 0.00 -0.00 0.00 0.00 57.88 57.92 1q5r h LEU 150 Cb 1.09 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.62 1q5r h LEU 150 CO 0.09 0.37 0.32 0.50 -0.00 0.00 0.00 178.44 179.72 1q5r h LYS 151 N 0.60 0.00 0.00 1.13 3.64 -0.96 -1.07 116.57 119.91 1q5r h LYS 151 Ca 0.16 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 59.14 1q5r h LYS 151 Cb -0.07 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.69 1q5r h LYS 151 CO -0.03 0.00 -2.32 1.63 -2.27 0.00 0.00 179.45 176.46 1q5r n LYS 152 N -3.85 0.56 0.00 1.90 4.76 0.12 -4.66 118.16 116.98 1q5r n LYS 152 Ca 0.05 0.24 0.14 0.00 -2.87 0.00 0.00 58.31 55.87 1q5r n LYS 152 Cb 0.48 -1.44 0.51 0.00 -1.84 0.00 0.00 35.03 32.74 1q5r n LYS 152 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1q5r n ILE 153 N -4.22 0.00 -3.06 -0.18 -5.35 -0.13 -4.87 119.36 101.56 1q5r n ILE 153 Ca -0.48 -0.09 -0.40 0.00 -0.27 0.00 0.00 62.75 61.51 1q5r n ILE 153 Cb 0.83 0.11 -0.05 0.00 -1.74 0.00 0.00 39.64 38.79 1q5r n ILE 153 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1q5r s TYR 154 N -2.50 3.46 -0.07 4.28 5.04 -0.41 -4.94 117.35 122.20 1q5r s TYR 154 Ca 0.26 1.10 0.03 0.00 -2.44 0.00 0.00 57.07 56.03 1q5r s TYR 154 Cb 0.20 -2.83 -0.02 0.00 0.35 0.00 0.00 41.96 39.65 1q5r s TYR 154 CO 0.50 -0.08 -0.16 -1.54 -1.34 0.00 0.00 175.55 172.93 1q5r s SER 155 N 1.02 3.88 0.00 4.32 1.04 -1.26 -4.94 113.70 117.76 1q5r s SER 155 Ca 0.34 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1q5r s SER 155 Cb -0.17 -1.08 0.00 0.00 0.10 0.00 0.00 66.02 64.88 1q5r s SER 155 CO 0.13 0.28 0.00 -2.65 0.98 0.00 0.00 173.24 171.98 1q5r n PRO 156 N 2.77 1.69 -1.62 4.02 -0.02 -1.26 -4.55 135.00 136.03 1q5r n PRO 156 Ca -0.17 0.00 -0.57 0.00 -2.02 0.00 0.00 63.50 60.74 1q5r n PRO 156 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.93 1q5r n PRO 156 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1q5r n ASP 157 N 0.00 2.18 -3.09 2.55 9.92 -1.26 -4.67 116.55 122.18 1q5r n ASP 157 Ca 0.00 0.91 -0.08 0.00 -0.53 0.00 0.00 54.79 55.09 1q5r n ASP 157 Cb 0.00 -1.14 0.02 0.00 -0.64 0.00 0.00 41.12 39.36 1q5r n ASP 157 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1q5r s SER 158 N 4.53 -0.03 0.98 -2.24 1.04 -1.26 -4.73 113.70 111.99 1q5r s SER 158 Ca 1.03 -1.04 -0.15 0.00 0.48 0.00 0.00 55.95 56.27 1q5r s SER 158 Cb -1.07 0.81 -0.02 0.00 0.10 0.00 0.00 66.02 65.84 1q5r s SER 158 CO 0.63 -1.60 -0.02 0.47 0.98 0.00 0.00 173.24 173.70 1q5r n ASP 159 N -1.26 -3.26 0.17 7.02 9.92 -1.26 -2.81 116.55 125.07 1q5r n ASP 159 Ca -0.07 0.25 0.06 0.00 -0.53 0.00 0.00 54.79 54.49 1q5r n ASP 159 Cb 0.60 -1.04 0.08 0.00 -0.64 0.00 0.00 41.12 40.11 1q5r n ASP 159 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1q5r h GLU 160 N -1.42 0.00 0.00 -1.24 4.81 -1.99 -2.77 114.58 111.97 1q5r h GLU 160 Ca -0.44 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.63 1q5r h GLU 160 Cb 1.30 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.65 1q5r h GLU 160 CO 0.31 0.31 -1.04 1.49 -0.73 0.00 0.00 179.01 179.36 1q5r h GLU 161 N 0.00 0.00 -0.12 1.92 4.81 -1.98 -2.48 114.58 116.73 1q5r h GLU 161 Ca -0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1q5r h GLU 161 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1q5r h GLU 161 CO 0.04 0.47 -0.27 1.15 -0.73 0.00 0.00 179.01 179.67 1q5r h THR 162 N 0.00 1.38 -0.34 0.32 2.02 -1.88 -1.71 112.91 112.70 1q5r h THR 162 Ca -0.09 -1.56 -0.10 0.00 0.77 0.00 0.00 66.41 65.43 1q5r h THR 162 Cb 1.56 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 70.05 1q5r h THR 162 CO 0.07 0.46 -0.16 0.00 0.37 0.00 0.00 175.52 176.26 1q5r h ALA 163 N 0.52 0.48 0.00 6.16 0.00 -1.60 -0.70 119.26 124.13 1q5r h ALA 163 Ca 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1q5r h ALA 163 Cb 0.87 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1q5r h ALA 163 CO 0.06 0.40 -0.18 1.25 0.00 0.00 0.00 179.25 180.77 1q5r h LEU 164 N 0.49 0.00 -0.04 0.00 5.85 -1.48 -0.44 115.31 119.69 1q5r h LEU 164 Ca 0.08 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.64 1q5r h LEU 164 Cb 0.69 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.73 1q5r h LEU 164 CO 0.05 0.18 -0.58 -0.09 -0.34 0.00 0.00 178.44 177.66 1q5r h ARG 165 N 0.00 0.47 -0.73 1.25 2.43 -1.03 -2.14 114.38 114.62 1q5r h ARG 165 Ca -0.00 -0.45 0.02 0.00 -0.81 0.00 0.00 59.98 58.74 1q5r h ARG 165 Cb 0.35 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 1q5r h ARG 165 CO 0.02 1.09 0.47 0.00 -1.51 0.00 0.00 179.97 180.05 1q5r h ALA 166 N 0.38 0.94 0.87 2.80 0.00 -0.57 -0.61 119.26 123.08 1q5r h ALA 166 Ca -0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1q5r h ALA 166 Cb 1.26 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.79 1q5r h ALA 166 CO 0.12 0.30 -0.42 0.00 0.00 0.00 0.00 179.25 179.25 1q5r h ALA 167 N 1.29 -1.19 -0.66 0.00 0.00 -1.11 0.30 119.26 117.88 1q5r h ALA 167 Ca 0.28 -0.25 0.19 0.00 0.00 0.00 0.00 54.91 55.13 1q5r h ALA 167 Cb -0.05 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1q5r h ALA 167 CO -0.08 -1.11 0.51 0.82 0.00 0.00 0.00 179.25 179.39 1q5r h ILE 168 N -1.28 0.57 -0.12 0.00 2.04 -1.27 0.74 117.51 118.20 1q5r h ILE 168 Ca -0.12 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.61 1q5r h ILE 168 Cb 0.89 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1q5r h ILE 168 CO 0.20 0.00 -0.43 -0.08 0.00 0.00 0.00 178.15 177.84 1q5r h GLU 169 N 0.00 0.50 -0.24 2.37 4.81 -0.65 -2.99 114.58 118.39 1q5r h GLU 169 Ca 0.31 -0.38 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1q5r h GLU 169 Cb 1.33 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.77 1q5r h GLU 169 CO -0.00 1.00 0.11 0.66 -0.73 0.00 0.00 179.01 180.04 1q5r h SER 170 N 0.11 0.29 0.50 1.04 4.64 0.13 0.13 113.55 120.38 1q5r h SER 170 Ca -0.02 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 1q5r h SER 170 Cb 1.06 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 1q5r h SER 170 CO 0.09 0.26 -0.34 -0.07 -0.87 0.00 0.00 176.83 175.90 1q5r h LEU 171 N 0.33 0.00 -0.18 5.97 3.38 -1.33 -0.01 115.31 123.47 1q5r h LEU 171 Ca 0.08 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1q5r h LEU 171 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1q5r h LEU 171 CO -0.01 0.34 -0.12 1.88 0.09 0.00 0.00 178.44 180.61 1q5r h TYR 172 N 0.00 0.47 -0.26 1.13 -1.99 -0.63 -1.93 116.97 113.76 1q5r h TYR 172 Ca -0.00 -0.13 -0.08 0.00 2.00 0.00 0.00 58.73 60.52 1q5r h TYR 172 Cb 0.68 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 39.29 1q5r h TYR 172 CO 0.00 0.73 -0.19 -0.44 -0.00 0.00 0.00 178.16 178.27 1q5r h ASP 173 N 0.07 0.46 -0.28 3.88 3.32 -1.01 -2.78 116.42 120.08 1q5r h ASP 173 Ca 0.04 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 56.89 1q5r h ASP 173 Cb 0.63 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1q5r h ASP 173 CO 0.03 0.66 -0.05 0.00 -1.72 0.00 0.00 179.24 178.16 1q5r h ALA 174 N 1.38 0.39 -0.15 3.45 0.00 -0.94 -2.57 119.26 120.83 1q5r h ALA 174 Ca 0.07 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1q5r h ALA 174 Cb 0.57 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1q5r h ALA 174 CO 0.04 0.19 0.18 0.00 0.00 0.00 0.00 179.25 179.66 1q5r h ALA 175 N 0.79 1.71 -0.40 0.00 0.00 -1.13 0.83 119.26 121.07 1q5r h ALA 175 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1q5r h ALA 175 Cb 0.52 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1q5r h ALA 175 CO 0.03 -0.26 0.18 -0.44 0.00 0.00 0.00 179.25 178.76 1q5r h ASP 176 N 0.00 0.53 0.00 0.00 3.32 -1.19 -3.32 116.42 115.76 1q5r h ASP 176 Ca 0.07 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1q5r h ASP 176 Cb 0.43 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1q5r h ASP 176 CO -0.00 0.52 -0.70 0.47 -1.72 0.00 0.00 179.24 177.81 1q5r n ASP 177 N -4.68 0.75 -4.21 6.45 8.00 -0.79 -4.92 116.55 117.15 1q5r n ASP 177 Ca -0.00 -0.71 -0.35 0.00 0.71 0.00 0.00 54.79 54.44 1q5r n ASP 177 Cb 0.12 1.06 -0.14 0.00 -0.02 0.00 0.00 41.12 42.15 1q5r n ASP 177 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1q5r s ASP 178 N -2.32 4.85 0.17 -2.24 3.68 0.22 -4.96 116.67 116.07 1q5r s ASP 178 Ca 0.04 -1.10 0.20 0.00 2.13 0.00 0.00 52.55 53.81 1q5r s ASP 178 Cb 0.09 -1.74 0.85 0.00 -1.45 0.00 0.00 42.92 40.67 1q5r s ASP 178 CO 0.51 -0.23 1.61 -1.54 0.13 0.00 0.00 175.17 175.65 1q5r n SER 179 N 4.69 0.42 -0.29 -0.34 3.41 -1.26 -1.68 113.62 118.57 1q5r n SER 179 Ca -0.14 0.61 0.14 0.00 -0.26 0.00 0.00 58.87 59.22 1q5r n SER 179 Cb 0.45 -0.70 0.57 0.00 -0.26 0.00 0.00 64.21 64.27 1q5r n SER 179 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q5r n ALA 180 N -1.68 2.73 -2.00 7.33 0.00 -1.26 -4.65 120.51 120.98 1q5r n ALA 180 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1q5r n ALA 180 Cb 0.20 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1q5r n ALA 180 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1q5r n THR 181 N -0.38 0.00 -2.80 0.00 -1.04 -0.67 -4.80 114.28 104.59 1q5r n THR 181 Ca 0.17 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 62.10 1q5r n THR 181 Cb 0.30 -0.19 0.04 0.00 -1.82 0.00 0.00 70.33 68.66 1q5r n THR 181 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1q5r n GLY 182 N 4.12 -0.78 0.00 3.41 0.00 -1.21 -4.58 105.19 106.14 1q5r n GLY 182 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1q5r n GLY 182 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q5r n GLY 183 N -1.38 -2.85 3.66 -0.02 0.00 -1.25 -4.79 105.19 98.57 1q5r n GLY 183 Ca -0.04 -0.33 -0.46 0.00 0.00 0.00 0.00 46.02 45.19 1q5r n GLY 183 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1q5r n PRO 184 N 0.00 2.03 -3.67 1.61 -0.02 -1.26 -4.83 135.00 128.86 1q5r n PRO 184 Ca 0.00 0.73 -0.29 0.00 -2.02 0.00 0.00 63.50 61.92 1q5r n PRO 184 Cb 0.00 -2.47 -0.15 0.00 -0.02 0.00 0.00 33.50 30.86 1q5r n PRO 184 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1q5r s ASP 185 N 0.76 3.79 0.32 2.55 -1.08 -0.82 -4.99 116.67 117.21 1q5r s ASP 185 Ca 0.77 -1.47 0.01 0.00 -0.52 0.00 0.00 52.55 51.35 1q5r s ASP 185 Cb -0.70 -0.67 0.55 0.00 -1.46 0.00 0.00 42.92 40.64 1q5r s ASP 185 CO 0.41 -0.42 1.93 -0.07 0.52 0.00 0.00 175.17 177.54 1q5r h LEU 186 N 8.21 0.70 -0.23 -1.34 3.38 -1.94 0.83 115.31 124.93 1q5r h LEU 186 Ca -0.16 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1q5r h LEU 186 Cb 1.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1q5r h LEU 186 CO 0.45 0.61 0.08 0.74 0.09 0.00 0.00 178.44 180.42 1q5r h THR 187 N 0.78 1.18 0.00 0.22 2.02 -1.97 -3.16 112.91 111.98 1q5r h THR 187 Ca 0.19 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1q5r h THR 187 Cb 0.10 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1q5r h THR 187 CO -0.02 0.18 -0.72 0.03 0.37 0.00 0.00 175.52 175.36 1q5r h ARG 188 N 0.21 0.00 -3.25 6.66 3.08 -1.99 -3.48 114.38 115.61 1q5r h ARG 188 Ca 0.08 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.01 1q5r h ARG 188 Cb 0.20 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.31 1q5r h ARG 188 CO -0.00 0.00 -0.27 0.41 -1.07 0.00 0.00 179.97 179.04 1q5r n GLY 189 N 1.32 0.18 3.32 0.04 0.00 0.25 -5.03 105.19 105.27 1q5r n GLY 189 Ca 0.03 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 1q5r n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q5r s ILE 190 N -3.13 3.82 0.09 -0.61 -1.09 -0.98 -5.00 121.20 114.29 1q5r s ILE 190 Ca 0.01 -0.74 0.08 0.00 -2.23 0.00 0.00 60.65 57.78 1q5r s ILE 190 Cb -0.01 -2.97 -0.03 0.00 -1.58 0.00 0.00 42.46 37.88 1q5r s ILE 190 CO 0.26 0.10 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.54 1q5r s TYR 191 N 1.48 1.83 0.73 3.97 1.51 -1.26 -1.94 117.35 123.66 1q5r s TYR 191 Ca 0.02 -0.40 -0.16 0.00 -1.01 0.00 0.00 57.07 55.52 1q5r s TYR 191 Cb -0.17 -1.03 -0.01 0.00 -0.11 0.00 0.00 41.96 40.64 1q5r s TYR 191 CO 0.02 0.18 0.75 -2.30 -1.11 0.00 0.00 175.55 173.08 1q5r n PRO 192 N 1.31 0.38 -3.96 -1.71 -0.02 -1.26 -4.86 135.00 124.89 1q5r n PRO 192 Ca -0.19 0.18 -0.35 0.00 -2.02 0.00 0.00 63.50 61.13 1q5r n PRO 192 Cb 0.53 -2.03 -0.06 0.00 -0.02 0.00 0.00 33.50 31.93 1q5r n PRO 192 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1q5r s THR 193 N -1.88 5.26 0.14 3.45 2.01 -0.39 -4.91 115.64 119.31 1q5r s THR 193 Ca 0.69 -0.09 -0.02 0.00 0.31 0.00 0.00 61.69 62.58 1q5r s THR 193 Cb -0.34 -3.38 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 1q5r s THR 193 CO 0.54 0.45 0.10 0.00 -0.69 0.00 0.00 174.62 175.01 1q5r s ALA 194 N -1.18 0.73 -0.22 7.40 0.00 -1.26 0.24 121.76 127.47 1q5r s ALA 194 Ca 0.22 -1.38 -0.14 0.00 0.00 0.00 0.00 51.96 50.66 1q5r s ALA 194 Cb -0.12 0.88 0.07 0.00 0.00 0.00 0.00 23.12 23.94 1q5r s ALA 194 CO 0.12 -0.52 0.54 0.08 0.00 0.00 0.00 175.76 175.98 1q5r s VAL 195 N -4.04 -0.01 0.10 0.00 1.01 0.16 -2.17 120.40 115.45 1q5r s VAL 195 Ca 0.23 0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.34 1q5r s VAL 195 Cb 0.07 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1q5r s VAL 195 CO 0.02 0.02 -0.19 0.42 0.00 0.00 0.00 175.10 175.36 1q5r s THR 196 N 1.25 2.75 -0.07 3.92 -4.23 -0.65 -0.43 115.64 118.19 1q5r s THR 196 Ca -0.08 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 1q5r s THR 196 Cb -0.06 -2.23 0.02 0.00 1.34 0.00 0.00 72.50 71.57 1q5r s THR 196 CO -0.12 0.16 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.44 1q5r s ILE 197 N -1.08 0.64 0.31 2.99 1.01 0.15 -0.74 121.20 124.48 1q5r s ILE 197 Ca 0.17 -0.11 0.05 0.00 0.00 0.00 0.00 60.65 60.76 1q5r s ILE 197 Cb -0.10 -0.69 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 1q5r s ILE 197 CO 0.08 0.28 0.31 1.07 0.00 0.00 0.00 174.94 176.68 1q5r n THR 198 N 4.58 0.00 0.11 2.92 5.66 -0.64 -1.63 114.28 125.28 1q5r n THR 198 Ca -0.16 -2.03 0.18 0.00 -3.05 0.00 0.00 64.05 58.98 1q5r n THR 198 Cb 0.50 1.07 0.55 0.00 -1.55 0.00 0.00 70.33 70.90 1q5r n THR 198 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 1q5r h GLN 199 N 0.00 0.00 0.00 1.09 4.15 -1.94 0.79 115.11 119.19 1q5r h GLN 199 Ca -0.22 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.15 1q5r h GLN 199 Cb 1.08 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 1q5r h GLN 199 CO 0.32 0.00 -0.24 0.00 -1.93 0.00 0.00 178.83 176.97 1q5r h ALA 200 N 0.93 0.85 0.00 3.38 0.00 -1.97 -3.50 119.26 118.95 1q5r h ALA 200 Ca 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1q5r h ALA 200 Cb 1.64 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1q5r h ALA 200 CO -0.00 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.96 1q5r n GLY 201 N 1.06 0.47 3.76 0.00 0.00 0.27 -5.04 105.19 105.71 1q5r n GLY 201 Ca 0.03 -2.19 -0.36 0.00 0.00 0.00 0.00 46.02 43.49 1q5r n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q5r s ALA 202 N -1.72 3.69 0.00 4.61 0.00 -0.35 -1.62 121.76 126.38 1q5r s ALA 202 Ca 0.00 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1q5r s ALA 202 Cb 0.00 -2.23 -0.01 0.00 0.00 0.00 0.00 23.12 20.89 1q5r s ALA 202 CO 0.00 0.23 -0.04 0.08 0.00 0.00 0.00 175.76 176.03 1q5r s VAL 203 N 0.10 0.30 -0.04 0.00 1.01 0.09 -4.99 120.40 116.86 1q5r s VAL 203 Ca 0.13 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 1q5r s VAL 203 Cb -0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 1q5r s VAL 203 CO 0.02 -0.01 1.17 -1.00 0.00 0.00 0.00 175.10 175.28 1q5r s HIS 204 N -0.32 3.28 0.41 5.22 3.76 -1.26 -1.63 115.29 124.74 1q5r s HIS 204 Ca -0.01 1.28 -0.24 0.00 -0.15 0.00 0.00 55.06 55.94 1q5r s HIS 204 Cb -0.03 -3.39 -0.08 0.00 1.11 0.00 0.00 32.58 30.19 1q5r s HIS 204 CO -0.00 -1.15 1.13 0.08 -0.85 0.00 0.00 174.74 173.95 1q5r s VAL 205 N 1.96 3.31 0.39 -0.90 1.01 -0.92 -4.97 120.40 120.27 1q5r s VAL 205 Ca 0.55 1.05 -0.21 0.00 0.00 0.00 0.00 61.98 63.37 1q5r s VAL 205 Cb -0.25 -3.56 -0.10 0.00 0.00 0.00 0.00 36.38 32.47 1q5r s VAL 205 CO 0.23 0.05 0.91 -0.94 0.00 0.00 0.00 175.10 175.35 1q5r s SER 206 N -1.30 6.98 0.45 3.32 1.04 -1.26 -4.67 113.70 118.27 1q5r s SER 206 Ca 0.58 1.64 0.19 0.00 0.48 0.00 0.00 55.95 58.84 1q5r s SER 206 Cb -0.28 -2.52 1.15 0.00 0.10 0.00 0.00 66.02 64.48 1q5r s SER 206 CO 0.35 -0.27 1.93 -0.08 0.98 0.00 0.00 173.24 176.14 1q5r h GLU 207 N 2.22 0.29 0.83 4.02 4.81 -1.94 -1.69 114.58 123.13 1q5r h GLU 207 Ca -0.48 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.69 1q5r h GLU 207 Cb 1.18 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 30.50 1q5r h GLU 207 CO 0.62 0.19 -0.40 0.93 -0.73 0.00 0.00 179.01 179.63 1q5r h GLU 208 N 0.30 -1.07 -0.84 1.92 5.08 -1.99 0.99 114.58 118.98 1q5r h GLU 208 Ca 0.35 0.07 0.23 0.00 -1.00 0.00 0.00 59.36 59.01 1q5r h GLU 208 Cb 0.94 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 1q5r h GLU 208 CO -0.09 -0.71 0.59 1.15 -1.00 0.00 0.00 179.01 178.95 1q5r h THR 209 N -1.14 0.61 0.12 1.13 2.02 -1.71 0.69 112.91 114.63 1q5r h THR 209 Ca -0.11 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1q5r h THR 209 Cb 0.86 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1q5r h THR 209 CO 0.19 0.02 -0.06 0.74 0.37 0.00 0.00 175.52 176.78 1q5r h THR 210 N 0.10 0.00 -0.97 3.16 2.02 -1.04 -2.64 112.91 113.54 1q5r h THR 210 Ca 0.41 -0.56 0.15 0.00 0.77 0.00 0.00 66.41 67.18 1q5r h THR 210 Cb 1.46 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.78 1q5r h THR 210 CO -0.05 0.00 0.61 0.77 0.37 0.00 0.00 175.52 177.22 1q5r h SER 211 N -0.72 0.77 0.74 4.18 4.64 -0.52 0.21 113.55 122.85 1q5r h SER 211 Ca -0.02 0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 1q5r h SER 211 Cb 0.13 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1q5r h SER 211 CO 0.03 0.36 -0.36 -0.08 -0.87 0.00 0.00 176.83 175.91 1q5r h GLU 212 N 0.80 -0.96 -0.47 4.77 4.22 -0.99 -1.41 114.58 120.53 1q5r h GLU 212 Ca 0.50 0.07 0.14 0.00 0.08 0.00 0.00 59.36 60.15 1q5r h GLU 212 Cb 0.72 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1q5r h GLU 212 CO -0.27 -0.62 0.39 -0.07 -2.18 0.00 0.00 179.01 176.26 1q5r h LEU 213 N -1.15 0.00 0.22 1.64 3.38 -1.01 -1.61 115.31 116.78 1q5r h LEU 213 Ca -0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1q5r h LEU 213 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1q5r h LEU 213 CO 0.17 0.00 -0.11 0.00 0.09 0.00 0.00 178.44 178.59 1q5r h ALA 214 N 1.66 -0.29 -0.68 1.53 0.00 0.03 -2.56 119.26 118.94 1q5r h ALA 214 Ca 0.22 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1q5r h ALA 214 Cb 1.00 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1q5r h ALA 214 CO -0.00 -0.50 0.41 0.00 0.00 0.00 0.00 179.25 179.16 1q5r h ARG 215 N -0.62 0.93 -0.85 0.00 3.08 -0.38 -2.10 114.38 114.44 1q5r h ARG 215 Ca -0.03 -0.08 0.08 0.00 0.07 0.00 0.00 59.98 60.01 1q5r h ARG 215 Cb 0.45 -0.19 -0.06 0.00 0.08 0.00 0.00 29.97 30.25 1q5r h ARG 215 CO 0.05 0.66 0.56 -0.09 -1.07 0.00 0.00 179.97 180.08 1q5r h ARG 216 N 0.93 0.87 -0.53 0.04 2.43 -1.35 -1.68 114.38 115.10 1q5r h ARG 216 Ca 0.25 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1q5r h ARG 216 Cb -0.03 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 1q5r h ARG 216 CO -0.05 0.58 0.22 0.82 -1.51 0.00 0.00 179.97 180.03 1q5r h ILE 217 N 0.90 1.21 -1.48 1.20 2.04 -0.95 -3.39 117.51 117.04 1q5r h ILE 217 Ca 0.38 -0.66 -0.51 0.00 1.00 0.00 0.00 64.86 65.07 1q5r h ILE 217 Cb 0.30 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1q5r h ILE 217 CO -0.15 0.25 1.61 0.52 0.00 0.00 0.00 178.15 180.38 1q5r n VAL 218 N -4.53 0.02 -0.17 1.67 0.31 -0.63 -5.13 118.33 109.87 1q5r n VAL 218 Ca 0.02 -0.62 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 1q5r n VAL 218 Cb 0.15 -2.45 0.00 0.00 -0.91 0.00 0.00 33.84 30.63 1q5r n VAL 218 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51