#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 5.78 0.00 1.96 0.15 -1.26 -4.95 113.70 115.39 1q5r s SER -48 Ca 0.00 2.28 0.11 0.00 0.70 0.00 0.00 55.95 59.04 1q5r s SER -48 Cb 0.00 -2.59 0.37 0.00 -1.71 0.00 0.00 66.02 62.08 1q5r s SER -48 CO 0.00 -1.18 1.28 0.49 1.20 0.00 0.00 173.24 175.03 1q5r n PHE -47 N -1.05 0.31 -0.58 3.44 3.72 -1.26 -5.04 117.46 117.01 1q5r n PHE -47 Ca 0.10 -0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1q5r n PHE -47 Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 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 0.95 -2.64 3.78 1.37 0.00 -1.26 -4.93 105.19 102.45 1q5r n GLY -46 Ca 0.10 -1.66 -0.37 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.99 7.12 0.42 1.61 0.15 -1.26 -4.95 113.70 114.79 1q5r s SER -45 Ca 0.00 1.99 0.15 0.00 0.70 0.00 0.00 55.95 58.78 1q5r s SER -45 Cb 0.00 -2.59 0.89 0.00 -1.71 0.00 0.00 66.02 62.61 1q5r s SER -45 CO 0.00 -0.23 1.92 -1.13 1.20 0.00 0.00 173.24 174.99 1q5r h ASN -44 N 3.06 0.00 -0.35 5.45 -0.00 -1.91 -2.28 115.58 119.54 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 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.52 1q5r h ASN -44 CO 0.64 0.27 0.00 0.18 -0.00 0.00 0.00 177.43 178.52 1q5r n LEU -43 N -4.16 3.38 -1.50 0.34 4.32 -1.26 -4.94 117.00 113.19 1q5r n LEU -43 Ca -0.02 -1.42 -0.13 0.00 -0.02 0.00 0.00 56.01 54.42 1q5r n LEU -43 Cb 0.32 -0.22 -0.01 0.00 -1.62 0.00 0.00 43.42 41.90 1q5r n LEU -43 CO 0.37 0.71 -0.17 -1.20 -1.22 0.00 0.00 177.39 175.89 1q5r n SER -42 N 1.46 -4.08 -4.40 -1.43 7.64 -0.86 -4.99 113.62 106.96 1q5r n SER -42 Ca 0.19 -0.01 -0.38 0.00 1.01 0.00 0.00 58.87 59.68 1q5r n SER -42 Cb 0.60 -3.27 -0.12 0.00 -1.01 0.00 0.00 64.21 60.41 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 5.34 0.27 6.43 0.15 -1.26 -4.07 113.70 118.14 1q5r s SER -41 Ca 0.00 -0.59 -0.02 0.00 0.70 0.00 0.00 55.95 56.05 1q5r s SER -41 Cb -0.00 -1.94 0.45 0.00 -1.71 0.00 0.00 66.02 62.81 1q5r s SER -41 CO 0.00 -0.18 1.86 0.15 1.20 0.00 0.00 173.24 176.27 1q5r h PHE -40 N 8.29 1.15 0.21 3.44 3.57 -1.90 -1.84 116.94 129.87 1q5r h PHE -40 Ca -0.32 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.22 1q5r h PHE -40 Cb 1.14 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 1q5r h PHE -40 CO 0.63 0.54 -0.24 1.15 -2.23 0.00 0.00 178.31 178.16 1q5r h THR -39 N 1.08 0.47 -0.26 4.41 2.02 -1.93 -1.30 112.91 117.41 1q5r h THR -39 Ca 0.45 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.70 1q5r h THR -39 Cb 0.28 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1q5r h THR -39 CO -0.21 0.00 0.26 -0.78 0.37 0.00 0.00 175.52 175.16 1q5r h ASP -38 N -0.50 0.00 0.11 4.18 3.58 -1.80 0.63 116.42 122.63 1q5r h ASP -38 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 1q5r h ASP -38 Cb 0.48 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.53 1q5r h ASP -38 CO -0.08 0.00 -0.05 0.22 -2.88 0.00 0.00 179.24 176.45 1q5r h TYR -37 N 0.00 -0.14 -0.75 0.28 3.20 -0.48 -3.13 116.97 115.95 1q5r h TYR -37 Ca 0.12 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.08 1q5r h TYR -37 Cb 0.65 0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.89 1q5r h TYR -37 CO 0.00 0.33 0.40 -0.07 -1.64 0.00 0.00 178.16 177.18 1q5r h LEU -36 N -0.69 0.54 -1.79 2.82 3.38 -0.36 0.23 115.31 119.44 1q5r h LEU -36 Ca -0.02 0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.18 1q5r h LEU -36 Cb 0.53 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1q5r h LEU -36 CO 0.02 0.31 0.64 -0.09 0.09 0.00 0.00 178.44 179.41 1q5r h ARG -35 N 0.67 0.00 0.00 1.13 9.65 -0.90 0.52 114.38 125.46 1q5r h ARG -35 Ca 0.37 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.25 1q5r h ARG -35 Cb 0.36 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.94 1q5r h ARG -35 CO -0.26 0.00 -0.04 0.41 2.80 0.00 0.00 179.97 182.88 1q5r n GLY -34 N -1.56 1.91 0.00 2.80 0.00 -0.03 -4.56 105.19 103.75 1q5r n GLY -34 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.54 0.00 -2.75 1.61 8.25 -0.60 -4.95 115.22 116.23 1q5r n HIS -33 Ca 0.03 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 -0.51 -0.33 -1.41 0.00 0.17 -5.00 120.51 113.43 1q5r n ALA -32 Ca 0.00 -1.57 0.30 0.00 0.00 0.00 0.00 53.44 52.17 1q5r n ALA -32 Cb 0.00 -1.14 0.64 0.00 0.00 0.00 0.00 19.45 18.95 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 2.95 0.17 -0.65 0.00 0.11 -1.48 -1.01 132.00 132.10 1q5r h PRO -31 Ca -0.10 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 66.17 1q5r h PRO -31 Cb 1.10 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1q5r h PRO -31 CO 0.14 0.11 0.46 1.05 -0.21 0.00 0.00 178.00 179.55 1q5r h GLU -30 N 0.18 0.10 0.00 1.05 9.09 -1.90 -1.06 114.58 122.04 1q5r h GLU -30 Ca 0.59 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 60.00 1q5r h GLU -30 Cb 1.95 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 29.03 1q5r h GLU -30 CO -0.16 0.07 0.00 1.28 0.05 0.00 0.00 179.01 180.25 1q5r n LEU -29 N -4.39 0.52 -4.83 3.06 4.77 -0.38 -4.84 117.00 110.91 1q5r n LEU -29 Ca 0.12 0.57 -0.33 0.00 -0.03 0.00 0.00 56.01 56.35 1q5r n LEU -29 Cb 0.65 -0.42 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 1q5r n LEU -29 CO 0.36 -0.21 0.67 -0.76 -1.33 0.00 0.00 177.39 176.12 1q5r s LEU -28 N -4.01 3.78 0.15 2.23 1.43 -0.40 -4.98 118.68 116.88 1q5r s LEU -28 Ca 0.10 1.63 -0.13 0.00 -1.03 0.00 0.00 54.13 54.69 1q5r s LEU -28 Cb 0.13 -4.52 0.04 0.00 0.03 0.00 0.00 46.19 41.87 1q5r s LEU -28 CO 0.52 -0.48 1.69 -0.65 0.23 0.00 0.00 176.35 177.66 1q5r h PRO -27 N 1.40 0.78 -1.16 1.29 0.11 -1.88 -2.98 132.00 129.55 1q5r h PRO -27 Ca -0.48 -0.15 0.42 0.00 0.11 0.00 0.00 66.00 65.89 1q5r h PRO -27 Cb 1.18 -0.12 -0.15 0.00 0.11 0.00 0.00 31.00 32.02 1q5r h PRO -27 CO 0.61 0.71 0.70 0.93 -0.21 0.00 0.00 178.00 180.74 1q5r h GLU -26 N 0.69 0.09 -4.36 1.05 5.08 -1.91 -3.33 114.58 111.89 1q5r h GLU -26 Ca 0.17 -0.01 -0.73 0.00 -1.00 0.00 0.00 59.36 57.79 1q5r h GLU -26 Cb 0.24 -0.02 -0.26 0.00 0.50 0.00 0.00 28.75 29.21 1q5r h GLU -26 CO -0.01 0.06 -0.39 -0.80 -1.00 0.00 0.00 179.01 176.86 1q5r s ASN -25 N -4.55 5.86 0.00 1.42 -0.87 -1.13 -5.00 114.94 110.68 1q5r s ASN -25 Ca -0.08 -1.50 0.00 0.00 -1.57 0.00 0.00 52.86 49.71 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 -0.61 0.00 -1.14 -2.57 0.00 0.00 177.10 173.58 1q5r n ARG -24 N 5.04 0.00 -2.64 -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 56.40 1q5r n ARG -24 Cb 0.43 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.31 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 7.20 0.00 6.15 -1.08 -1.26 -4.92 116.67 118.77 1q5r s ASP -6 Ca 0.00 1.59 0.17 0.00 -0.52 0.00 0.00 52.55 53.79 1q5r s ASP -6 Cb 0.00 -2.56 0.12 0.00 -1.46 0.00 0.00 42.92 39.03 1q5r s ASP -6 CO 0.00 -0.48 1.03 0.00 0.52 0.00 0.00 175.17 176.24 1q5r n LEU -5 N 5.07 2.36 -3.60 -1.34 -0.00 -1.26 -4.62 117.00 113.61 1q5r n LEU -5 Ca 0.09 -0.98 -0.16 0.00 -0.00 0.00 0.00 56.01 54.96 1q5r n LEU -5 Cb 0.48 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.83 1q5r n LEU -5 CO 0.53 0.42 0.30 0.00 -0.00 0.00 0.00 177.39 178.64 1q5r s ALA -4 N -1.50 -1.45 0.38 1.47 0.00 -1.26 -5.15 121.76 114.25 1q5r s ALA -4 Ca 0.20 1.05 -0.26 0.00 0.00 0.00 0.00 51.96 52.95 1q5r s ALA -4 Cb 0.14 -0.05 -0.11 0.00 0.00 0.00 0.00 23.12 23.10 1q5r s ALA -4 CO 0.24 -0.33 1.09 -2.30 0.00 0.00 0.00 175.76 174.46 1q5r n PRO -3 N 1.16 1.55 -4.44 0.00 -0.02 -1.26 -4.79 135.00 127.21 1q5r n PRO -3 Ca -0.19 0.55 -0.25 0.00 -2.02 0.00 0.00 63.50 61.59 1q5r n PRO -3 Cb 0.57 -2.10 -0.13 0.00 -0.02 0.00 0.00 33.50 31.82 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 -1.20 1.86 0.23 6.00 -3.43 0.95 -1.14 115.29 118.56 1q5r s HIS -2 Ca 0.61 -0.40 -0.09 0.00 -0.80 0.00 0.00 55.06 54.38 1q5r s HIS -2 Cb -0.58 -1.05 -0.07 0.00 -1.43 0.00 0.00 32.58 29.45 1q5r s HIS -2 CO 0.58 0.18 -0.04 0.41 -2.00 0.00 0.00 174.74 173.87 1q5r n GLY -1 N 1.35 -1.48 3.99 -1.38 0.00 1.49 -3.40 105.19 105.77 1q5r n GLY -1 Ca -0.18 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.92 2.51 0.19 2.61 -4.23 -1.26 -4.32 115.64 110.21 1q5r s THR 1 Ca 0.27 -0.73 -0.30 0.00 -1.18 0.00 0.00 61.69 59.75 1q5r s THR 1 Cb -0.24 -2.77 -0.08 0.00 1.34 0.00 0.00 72.50 70.75 1q5r s THR 1 CO 0.31 0.00 1.04 -0.89 -0.54 0.00 0.00 174.62 174.54 1q5r s THR 2 N -2.79 3.98 -0.03 3.99 2.01 -1.26 -4.45 115.64 117.09 1q5r s THR 2 Ca 0.60 1.78 0.01 0.00 0.31 0.00 0.00 61.69 64.39 1q5r s THR 2 Cb -0.08 -4.14 0.01 0.00 0.01 0.00 0.00 72.50 68.30 1q5r s THR 2 CO 0.39 0.34 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.99 1q5r s ILE 3 N -0.50 0.46 0.03 1.82 1.01 0.32 -1.16 121.20 123.18 1q5r s ILE 3 Ca 0.47 -0.14 0.07 0.00 0.00 0.00 0.00 60.65 61.04 1q5r s ILE 3 Cb -0.28 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 1q5r s ILE 3 CO 0.34 0.18 -0.18 -0.69 0.00 0.00 0.00 174.94 174.59 1q5r s VAL 4 N 0.52 2.78 -0.07 2.92 1.01 0.41 -1.44 120.40 126.53 1q5r s VAL 4 Ca -0.06 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 60.78 1q5r s VAL 4 Cb -0.10 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.15 1q5r s VAL 4 CO -0.00 0.37 -0.07 0.00 0.00 0.00 0.00 175.10 175.39 1q5r s ALA 5 N -0.89 1.03 0.06 5.51 0.00 0.74 -0.97 121.76 127.23 1q5r s ALA 5 Ca 0.14 -0.30 0.08 0.00 0.00 0.00 0.00 51.96 51.88 1q5r s ALA 5 Cb -0.10 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 1q5r s ALA 5 CO 0.05 -0.10 -0.21 -0.51 0.00 0.00 0.00 175.76 174.98 1q5r s LEU 6 N 1.10 2.20 -0.06 0.00 1.02 -0.93 -0.91 118.68 121.10 1q5r s LEU 6 Ca -0.07 -0.56 -0.02 0.00 0.02 0.00 0.00 54.13 53.49 1q5r s LEU 6 Cb -0.14 -0.99 -0.04 0.00 0.02 0.00 0.00 46.19 45.04 1q5r s LEU 6 CO -0.01 0.15 0.06 0.28 0.02 0.00 0.00 176.35 176.85 1q5r s THR 7 N -0.87 4.73 0.32 5.49 -1.32 0.56 -1.15 115.64 123.40 1q5r s THR 7 Ca 0.08 -0.21 -0.15 0.00 -1.21 0.00 0.00 61.69 60.20 1q5r s THR 7 Cb -0.09 -3.07 0.03 0.00 -1.51 0.00 0.00 72.50 67.85 1q5r s THR 7 CO 0.02 0.51 0.67 -0.72 -2.21 0.00 0.00 174.62 172.89 1q5r s TYR 8 N -1.04 0.19 0.00 9.09 -0.85 -0.33 -4.76 117.35 119.65 1q5r s TYR 8 Ca 0.17 -0.68 0.00 0.00 -0.52 0.00 0.00 57.07 56.05 1q5r s TYR 8 Cb -0.12 0.55 0.00 0.00 0.38 0.00 0.00 41.96 42.77 1q5r s TYR 8 CO 0.07 -1.30 0.36 1.17 -1.52 0.00 0.00 175.55 174.33 1q5r n LYS 9 N -0.48 0.00 0.00 -3.49 3.00 -1.11 -3.19 118.16 112.88 1q5r n LYS 9 Ca -0.04 0.36 0.00 0.00 -0.00 0.00 0.00 58.31 58.62 1q5r n LYS 9 Cb 0.60 -0.61 0.00 0.00 0.00 0.00 0.00 35.03 35.02 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 -0.85 -3.06 0.00 3.14 0.00 -1.26 -4.48 105.19 98.67 1q5r n GLY 10 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.61 4.13 3.27 -0.02 0.00 -1.19 -4.68 105.19 106.09 1q5r n GLY 11 Ca 0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 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 3.78 0.55 0.09 1.61 -7.23 -0.65 -1.19 120.40 117.35 1q5r s VAL 12 Ca 0.00 -1.99 -0.08 0.00 -1.81 0.00 0.00 61.98 58.10 1q5r s VAL 12 Cb 0.00 -2.37 -0.01 0.00 0.56 0.00 0.00 36.38 34.56 1q5r s VAL 12 CO 0.00 -0.23 0.17 -1.48 -0.31 0.00 0.00 175.10 173.25 1q5r s LEU 13 N -3.23 1.51 -0.03 1.32 0.05 -0.30 -0.86 118.68 117.15 1q5r s LEU 13 Ca 0.31 -0.70 0.03 0.00 0.05 0.00 0.00 54.13 53.82 1q5r s LEU 13 Cb 0.07 0.95 0.00 0.00 -2.05 0.00 0.00 46.19 45.17 1q5r s LEU 13 CO 0.09 -0.72 -0.10 -0.76 -0.55 0.00 0.00 176.35 174.31 1q5r s LEU 14 N -2.87 1.82 -0.03 1.48 1.43 0.31 -2.20 118.68 118.62 1q5r s LEU 14 Ca 0.06 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1q5r s LEU 14 Cb 0.05 -0.58 0.01 0.00 0.03 0.00 0.00 46.19 45.70 1q5r s LEU 14 CO -0.10 0.08 -0.05 0.00 0.23 0.00 0.00 176.35 176.50 1q5r s ALA 15 N 0.15 0.62 0.10 4.21 0.00 -0.14 -0.57 121.76 126.12 1q5r s ALA 15 Ca -0.03 -0.13 0.06 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 22.70 1q5r s ALA 15 CO 0.00 0.05 -0.15 0.20 0.00 0.00 0.00 175.76 175.87 1q5r s GLY 16 N 0.49 1.00 0.87 0.00 0.00 0.17 -0.44 107.32 109.41 1q5r s GLY 16 Ca -0.06 -1.16 -0.15 0.00 0.00 0.00 0.00 44.72 43.36 1q5r s GLY 16 CO 0.00 -1.19 0.81 1.34 0.00 0.00 0.00 173.10 174.05 1q5r n ASP 17 N 0.94 -1.59 0.00 1.64 4.64 -0.31 -1.16 116.55 120.71 1q5r n ASP 17 Ca -0.19 -1.02 0.00 0.00 -1.38 0.00 0.00 54.79 52.20 1q5r n ASP 17 Cb 0.55 -0.72 0.00 0.00 -1.04 0.00 0.00 41.12 39.91 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 -3.81 -0.58 -2.81 -0.67 5.12 -1.26 -4.38 116.66 108.26 1q5r n ARG 18 Ca 0.11 -0.33 -0.42 0.00 -1.93 0.00 0.00 57.85 55.27 1q5r n ARG 18 Cb 0.42 -0.83 -0.04 0.00 -1.16 0.00 0.00 32.46 30.85 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 -0.01 3.97 -0.19 5.56 6.06 -1.26 -1.84 118.95 131.23 1q5r s ARG 19 Ca 0.00 0.75 -0.02 0.00 -2.50 0.00 0.00 55.73 53.95 1q5r s ARG 19 Cb 0.00 -3.75 -0.01 0.00 0.06 0.00 0.00 34.95 31.25 1q5r s ARG 19 CO 0.00 -0.81 -0.08 0.00 -2.50 0.00 0.00 175.30 171.90 1q5r s ALA 20 N 3.30 2.73 0.10 6.12 0.00 -0.32 -4.42 121.76 129.27 1q5r s ALA 20 Ca 0.38 -1.08 0.09 0.00 0.00 0.00 0.00 51.96 51.35 1q5r s ALA 20 Cb -0.13 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 1q5r s ALA 20 CO 0.15 -0.20 -0.18 -0.08 0.00 0.00 0.00 175.76 175.44 1q5r s THR 21 N 1.09 2.81 -0.32 0.00 -1.32 -1.22 0.84 115.64 117.52 1q5r s THR 21 Ca 0.01 -1.45 -0.02 0.00 -1.21 0.00 0.00 61.69 59.02 1q5r s THR 21 Cb -0.15 -2.26 0.11 0.00 -1.51 0.00 0.00 72.50 68.69 1q5r s THR 21 CO -0.01 0.15 0.14 -1.58 -2.21 0.00 0.00 174.62 171.10 1q5r s GLN 22 N -1.99 0.51 4.07 7.08 0.74 0.11 -0.03 119.66 130.15 1q5r s GLN 22 Ca 0.17 -0.95 0.00 0.00 0.05 0.00 0.00 55.36 54.63 1q5r s GLN 22 Cb -0.11 -1.57 0.00 0.00 1.10 0.00 0.00 33.01 32.43 1q5r s GLN 22 CO 0.09 -1.04 0.00 0.41 -0.55 0.00 0.00 175.29 174.19 1q5r n GLY 23 N 4.81 0.48 0.83 2.59 0.00 -1.26 -2.76 105.19 109.88 1q5r n GLY 23 Ca -0.01 -0.94 0.12 0.00 0.00 0.00 0.00 46.02 45.19 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 4.60 2.73 -4.84 1.61 6.94 -1.26 -4.94 115.26 120.09 1q5r n ASN 24 Ca 0.00 -1.87 -0.33 0.00 -0.02 0.00 0.00 54.58 52.37 1q5r n ASN 24 Cb 0.00 0.13 -0.06 0.00 -2.36 0.00 0.00 39.78 37.49 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 4.07 -0.25 -4.53 1.43 -1.11 -5.03 118.68 111.12 1q5r s LEU 25 Ca 0.25 1.33 -0.17 0.00 -1.03 0.00 0.00 54.13 54.51 1q5r s LEU 25 Cb 0.19 -4.10 -0.03 0.00 0.03 0.00 0.00 46.19 42.28 1q5r s LEU 25 CO 0.37 -0.21 0.49 -0.63 0.23 0.00 0.00 176.35 176.61 1q5r s ILE 26 N -1.98 5.09 -0.11 -0.59 1.01 -1.26 -0.71 121.20 122.65 1q5r s ILE 26 Ca 0.54 0.84 0.07 0.00 0.00 0.00 0.00 60.65 62.11 1q5r s ILE 26 Cb -0.10 -3.81 -0.24 0.00 0.01 0.00 0.00 42.46 38.32 1q5r s ILE 26 CO 0.17 0.11 0.39 0.00 0.00 0.00 0.00 174.94 175.61 1q5r n ALA 27 N 5.38 1.32 -3.31 9.38 0.00 0.25 -4.91 120.51 128.62 1q5r n ALA 27 Ca -0.05 -0.85 -0.15 0.00 0.00 0.00 0.00 53.44 52.39 1q5r n ALA 27 Cb 0.50 -0.61 -0.08 0.00 0.00 0.00 0.00 19.45 19.26 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 -6.28 -0.33 -0.04 0.00 0.15 -0.82 -4.97 113.70 101.40 1q5r s SER 28 Ca -0.13 0.26 0.06 0.00 0.70 0.00 0.00 55.95 56.83 1q5r s SER 28 Cb 0.07 0.38 0.09 0.00 -1.71 0.00 0.00 66.02 64.86 1q5r s SER 28 CO 0.79 -0.51 0.95 -1.14 1.20 0.00 0.00 173.24 174.53 1q5r n ARG 29 N 1.11 1.40 -2.49 5.44 0.63 -1.25 -1.17 116.66 120.33 1q5r n ARG 29 Ca -0.21 -1.56 -0.01 0.00 -0.92 0.00 0.00 57.85 55.16 1q5r n ARG 29 Cb 0.57 -0.97 0.05 0.00 0.45 0.00 0.00 32.46 32.55 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 -0.61 1.70 -4.70 6.15 3.85 -1.14 -4.70 116.55 117.11 1q5r n ASP 30 Ca 0.05 -2.17 -0.42 0.00 -0.71 0.00 0.00 54.79 51.54 1q5r n ASP 30 Cb 0.49 -0.44 -0.03 0.00 -1.35 0.00 0.00 41.12 39.80 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 -3.14 4.31 -0.49 2.12 1.01 -0.77 -4.99 120.40 118.46 1q5r s VAL 31 Ca 0.30 1.64 -0.20 0.00 0.00 0.00 0.00 61.98 63.73 1q5r s VAL 31 Cb 0.34 -4.06 0.04 0.00 0.00 0.00 0.00 36.38 32.71 1q5r s VAL 31 CO -0.06 0.05 0.66 -0.70 0.00 0.00 0.00 175.10 175.05 1q5r s GLU 32 N 1.73 3.19 0.00 2.72 2.12 -1.26 -4.28 118.70 122.93 1q5r s GLU 32 Ca 0.56 -0.65 0.23 0.00 0.36 0.00 0.00 54.97 55.47 1q5r s GLU 32 Cb -0.25 -4.04 0.10 0.00 0.26 0.00 0.00 34.13 30.20 1q5r s GLU 32 CO 0.24 -1.17 1.12 0.00 -0.54 0.00 0.00 175.26 174.92 1q5r n ALA 33 N 6.33 4.10 -2.87 6.30 0.00 -1.26 -4.88 120.51 128.22 1q5r n ALA 33 Ca -0.04 -0.47 -0.34 0.00 0.00 0.00 0.00 53.44 52.59 1q5r n ALA 33 Cb 0.46 -0.94 -0.11 0.00 0.00 0.00 0.00 19.45 18.86 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 -3.03 4.01 0.10 0.00 -7.23 -1.26 -3.25 120.40 109.74 1q5r s VAL 34 Ca 0.09 -0.32 0.07 0.00 -1.81 0.00 0.00 61.98 60.00 1q5r s VAL 34 Cb 0.16 -2.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.33 1q5r s VAL 34 CO 0.79 0.51 -0.18 -0.31 -0.31 0.00 0.00 175.10 175.61 1q5r s TYR 35 N 0.10 1.58 -0.45 2.82 1.51 -0.68 -4.99 117.35 117.24 1q5r s TYR 35 Ca 0.00 -0.44 -0.21 0.00 -1.01 0.00 0.00 57.07 55.40 1q5r s TYR 35 Cb -0.13 -0.86 0.03 0.00 -0.11 0.00 0.00 41.96 40.88 1q5r s TYR 35 CO 0.02 0.16 0.70 0.08 -1.11 0.00 0.00 175.55 175.40 1q5r s VAL 36 N -1.32 4.76 -0.04 0.71 1.01 -1.26 -1.56 120.40 122.70 1q5r s VAL 36 Ca 0.04 0.17 0.12 0.00 0.00 0.00 0.00 61.98 62.31 1q5r s VAL 36 Cb -0.09 -4.26 -0.07 0.00 0.00 0.00 0.00 36.38 31.95 1q5r s VAL 36 CO 0.04 -0.67 1.31 0.71 0.00 0.00 0.00 175.10 176.48 1q5r h THR 37 N 5.92 1.20 -1.44 3.92 1.35 -1.54 -3.48 112.91 118.83 1q5r h THR 37 Ca -0.25 -2.73 0.16 0.00 -0.55 0.00 0.00 66.41 63.04 1q5r h THR 37 Cb 1.09 2.58 -0.23 0.00 -1.73 0.00 0.00 68.15 69.86 1q5r h THR 37 CO 0.93 0.68 0.70 -0.62 -0.25 0.00 0.00 175.52 176.96 1q5r s ASP 38 N -6.51 -0.24 0.04 5.36 2.15 -0.71 -4.64 116.67 112.12 1q5r s ASP 38 Ca 0.02 0.21 0.00 0.00 0.43 0.00 0.00 52.55 53.21 1q5r s ASP 38 Cb 0.09 0.20 0.09 0.00 -0.30 0.00 0.00 42.92 43.00 1q5r s ASP 38 CO 0.78 -0.25 0.18 1.21 -0.17 0.00 0.00 175.17 176.93 1q5r n GLU 39 N 0.49 -0.01 -2.25 4.34 4.07 -1.26 -0.47 120.64 125.55 1q5r n GLU 39 Ca -0.06 0.18 -0.22 0.00 -0.06 0.00 0.00 57.16 57.00 1q5r n GLU 39 Cb 0.58 -0.28 0.02 0.00 -0.06 0.00 0.00 31.44 31.70 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 -3.90 2.74 -3.63 4.31 4.02 -1.26 -1.07 117.16 118.36 1q5r n TYR 40 Ca 0.03 -2.49 -0.06 0.00 -0.01 0.00 0.00 57.90 55.36 1q5r n TYR 40 Cb 0.09 -0.26 -0.06 0.00 -0.02 0.00 0.00 39.34 39.09 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 -3.58 -0.23 0.13 7.72 1.04 0.39 -1.68 113.70 117.48 1q5r s SER 41 Ca 0.47 0.40 -0.01 0.00 0.48 0.00 0.00 55.95 57.29 1q5r s SER 41 Cb 0.40 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.87 1q5r s SER 41 CO -0.03 -0.12 0.06 0.00 0.98 0.00 0.00 173.24 174.13 1q5r s ALA 42 N -0.23 0.88 -0.03 5.32 0.00 -0.55 -1.35 121.76 125.80 1q5r s ALA 42 Ca 0.05 -1.48 -0.21 0.00 0.00 0.00 0.00 51.96 50.31 1q5r s ALA 42 Cb -0.04 0.88 0.04 0.00 0.00 0.00 0.00 23.12 24.01 1q5r s ALA 42 CO -0.09 -0.49 0.46 0.00 0.00 0.00 0.00 175.76 175.65 1q5r s ALA 43 N -4.05 -1.19 0.15 0.00 0.00 -0.60 -0.99 121.76 115.09 1q5r s ALA 43 Ca 0.25 0.75 0.10 0.00 0.00 0.00 0.00 51.96 53.05 1q5r s ALA 43 Cb 0.07 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 1q5r s ALA 43 CO 0.02 -0.30 -0.18 0.20 0.00 0.00 0.00 175.76 175.50 1q5r s GLY 44 N -1.22 1.70 -0.04 0.00 0.00 -0.48 -1.68 107.32 105.59 1q5r s GLY 44 Ca -0.12 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.15 1q5r s GLY 44 CO 0.06 -1.45 -0.01 -0.42 0.00 0.00 0.00 173.10 171.29 1q5r s ILE 45 N -1.38 0.28 0.05 0.90 1.01 -1.20 -0.43 121.20 120.42 1q5r s ILE 45 Ca 0.20 0.05 0.04 0.00 0.00 0.00 0.00 60.65 60.94 1q5r s ILE 45 Cb -0.10 -0.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.97 1q5r s ILE 45 CO 0.11 0.18 -0.04 0.00 0.00 0.00 0.00 174.94 175.19 1q5r s ALA 46 N 1.14 3.14 0.00 9.38 0.00 -0.52 -4.49 121.76 130.40 1q5r s ALA 46 Ca -0.08 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1q5r s ALA 46 Cb -0.14 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.84 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 1.06 0.67 3.48 0.00 0.00 -1.26 -0.56 105.19 108.57 1q5r n GLY 47 Ca -0.13 -2.08 -0.47 0.00 0.00 0.00 0.00 46.02 43.34 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 3.57 0.16 -0.27 2.61 -1.04 -0.91 0.43 114.28 118.84 1q5r n THR 48 Ca 0.00 -0.33 -0.06 0.00 -2.04 0.00 0.00 64.05 61.62 1q5r n THR 48 Cb 0.00 -1.82 -0.01 0.00 -1.82 0.00 0.00 70.33 66.68 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 13.57 -0.15 -0.19 2.41 0.00 -1.43 0.40 119.26 133.86 1q5r h ALA 49 Ca -0.27 0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1q5r h ALA 49 Cb 1.30 0.97 -0.07 0.00 0.00 0.00 0.00 17.79 19.99 1q5r h ALA 49 CO 1.05 -0.75 -0.41 0.78 0.00 0.00 0.00 179.25 179.92 1q5r h GLY 50 N -0.14 -0.64 0.62 0.00 0.00 -1.88 -0.37 103.07 100.67 1q5r h GLY 50 Ca 0.23 0.51 0.04 0.00 0.00 0.00 0.00 47.33 48.11 1q5r h GLY 50 CO -0.78 -0.22 -0.02 -2.22 0.00 0.00 0.00 176.54 173.30 1q5r h ILE 51 N -0.45 0.82 -0.37 2.60 1.08 -1.74 -2.62 117.51 116.83 1q5r h ILE 51 Ca 0.09 -0.01 0.08 0.00 -0.39 0.00 0.00 64.86 64.63 1q5r h ILE 51 Cb 0.61 0.78 -0.08 0.00 -3.07 0.00 0.00 36.82 35.05 1q5r h ILE 51 CO -0.43 0.01 -0.19 0.00 -0.69 0.00 0.00 178.15 176.85 1q5r h ALA 52 N 1.20 0.09 0.28 1.87 0.00 -0.28 -0.07 119.26 122.35 1q5r h ALA 52 Ca 0.10 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1q5r h ALA 52 Cb 0.14 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1q5r h ALA 52 CO -0.20 -0.56 -0.37 0.82 0.00 0.00 0.00 179.25 178.94 1q5r h ILE 53 N -0.12 0.24 -0.49 0.00 2.04 -0.86 -1.42 117.51 116.89 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 0.41 0.24 -0.07 0.00 -0.74 0.00 0.00 36.82 36.65 1q5r h ILE 53 CO -0.45 0.00 0.07 -0.08 0.00 0.00 0.00 178.15 177.69 1q5r h GLU 54 N -0.71 0.19 -0.15 2.37 4.81 -1.13 -2.19 114.58 117.77 1q5r h GLU 54 Ca -0.01 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1q5r h GLU 54 Cb 0.67 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.97 1q5r h GLU 54 CO -0.12 0.13 -0.10 1.25 -0.73 0.00 0.00 179.01 179.44 1q5r h LEU 55 N 0.20 -0.31 -1.11 1.64 5.85 -0.56 -1.96 115.31 119.06 1q5r h LEU 55 Ca 0.25 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 1q5r h LEU 55 Cb 0.34 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1q5r h LEU 55 CO -0.34 -0.13 0.31 1.62 -0.34 0.00 0.00 178.44 179.55 1q5r h VAL 56 N -0.10 1.22 0.50 1.05 3.04 -0.95 -1.45 116.25 119.56 1q5r h VAL 56 Ca 0.09 -0.62 -0.02 0.00 -1.01 0.00 0.00 66.70 65.14 1q5r h VAL 56 Cb 0.23 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 29.90 1q5r h VAL 56 CO -0.21 0.26 -0.27 -0.09 -1.01 0.00 0.00 177.57 176.24 1q5r h ARG 57 N 0.93 -0.69 -0.53 4.17 2.43 -1.04 -0.93 114.38 118.71 1q5r h ARG 57 Ca 0.23 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.52 1q5r h ARG 57 Cb 0.11 0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 29.76 1q5r h ARG 57 CO -0.03 -0.46 0.19 1.25 -1.51 0.00 0.00 179.97 179.41 1q5r h LEU 58 N -0.72 0.20 -0.70 3.80 5.85 -1.23 -1.50 115.31 121.00 1q5r h LEU 58 Ca -0.06 0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.82 1q5r h LEU 58 Cb 0.57 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.57 1q5r h LEU 58 CO 0.09 0.13 0.33 0.15 -0.34 0.00 0.00 178.44 178.80 1q5r h PHE 59 N 0.37 0.58 0.74 1.25 3.57 -0.87 0.29 116.94 122.88 1q5r h PHE 59 Ca 0.26 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.75 1q5r h PHE 59 Cb 0.29 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 38.88 1q5r h PHE 59 CO -0.16 0.19 -0.36 0.00 -2.23 0.00 0.00 178.31 175.75 1q5r h ALA 60 N 1.44 -1.00 -0.81 2.41 0.00 -0.23 -2.02 119.26 119.06 1q5r h ALA 60 Ca 0.35 -0.22 0.15 0.00 0.00 0.00 0.00 54.91 55.20 1q5r h ALA 60 Cb 0.41 0.38 -0.10 0.00 0.00 0.00 0.00 17.79 18.48 1q5r h ALA 60 CO -0.29 -1.05 0.37 0.28 0.00 0.00 0.00 179.25 178.55 1q5r h VAL 61 N -1.00 0.67 -0.30 0.00 2.07 -0.85 -0.61 116.25 116.23 1q5r h VAL 61 Ca -0.10 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.31 1q5r h VAL 61 Cb 0.77 0.11 -0.08 0.00 -1.52 0.00 0.00 31.29 30.56 1q5r h VAL 61 CO 0.17 0.09 -0.35 -0.33 0.02 0.00 0.00 177.57 177.17 1q5r h GLU 62 N 0.51 -0.32 0.39 1.57 4.39 -0.03 0.12 114.58 121.23 1q5r h GLU 62 Ca 0.45 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.15 1q5r h GLU 62 Cb 0.68 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 1q5r h GLU 62 CO -0.40 -0.21 -0.19 -0.07 -1.16 0.00 0.00 179.01 176.98 1q5r h LEU 63 N -0.33 -0.45 -0.65 1.33 3.38 -0.56 -2.56 115.31 115.48 1q5r h LEU 63 Ca 0.14 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1q5r h LEU 63 Cb 0.56 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 1q5r h LEU 63 CO -0.48 -0.25 0.40 -0.08 0.09 0.00 0.00 178.44 178.12 1q5r h GLU 64 N -0.62 0.75 -0.47 1.13 4.81 -0.85 -2.28 114.58 117.06 1q5r h GLU 64 Ca -0.05 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1q5r h GLU 64 Cb 0.46 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1q5r h GLU 64 CO 0.09 0.50 0.27 1.25 -0.73 0.00 0.00 179.01 180.39 1q5r h HIS 65 N 0.78 0.64 -0.89 0.92 2.76 -0.79 -1.24 115.15 117.32 1q5r h HIS 65 Ca 0.26 -0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.55 1q5r h HIS 65 Cb 0.03 -0.21 -0.09 0.00 1.55 0.00 0.00 27.41 28.70 1q5r h HIS 65 CO -0.05 0.46 0.51 -0.92 -1.30 0.00 0.00 177.93 176.63 1q5r h TYR 66 N 0.63 0.92 0.50 5.26 3.20 -0.98 -0.18 116.97 126.31 1q5r h TYR 66 Ca 0.17 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 1q5r h TYR 66 Cb 0.02 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.02 1q5r h TYR 66 CO -0.02 0.31 -0.24 1.49 -1.64 0.00 0.00 178.16 178.05 1q5r h GLU 67 N 0.78 -0.64 -0.19 1.82 4.81 -1.07 0.16 114.58 120.25 1q5r h GLU 67 Ca 0.46 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.79 1q5r h GLU 67 Cb 0.54 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1q5r h GLU 67 CO -0.30 -0.34 0.32 0.87 -0.73 0.00 0.00 179.01 178.83 1q5r h LYS 68 N -0.96 0.00 0.00 1.92 1.57 -0.75 0.89 116.57 119.23 1q5r h LYS 68 Ca -0.07 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1q5r h LYS 68 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1q5r h LYS 68 CO 0.11 0.00 -0.51 0.82 -0.57 0.00 0.00 179.45 179.30 1q5r h ILE 69 N 0.00 0.22 0.00 1.86 1.08 -0.64 -3.38 117.51 116.64 1q5r h ILE 69 Ca 0.09 -1.24 0.00 0.00 -0.39 0.00 0.00 64.86 63.31 1q5r h ILE 69 Cb 0.73 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 1q5r h ILE 69 CO -0.00 0.07 0.00 -0.62 -0.69 0.00 0.00 178.15 176.91 1q5r n GLU 70 N -4.62 0.15 -0.89 2.37 -0.58 0.52 -4.90 120.64 112.70 1q5r n GLU 70 Ca -0.10 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 1q5r n GLU 70 Cb 0.29 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 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 0.71 0.83 3.13 0.62 0.00 0.31 -4.97 105.19 105.82 1q5r n GLY 71 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.41 0.69 0.61 1.61 1.01 -1.23 -4.99 120.40 114.68 1q5r s VAL 72 Ca 0.00 -1.54 -0.05 0.00 0.00 0.00 0.00 61.98 60.40 1q5r s VAL 72 Cb 0.00 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.21 1q5r s VAL 72 CO 0.00 -0.61 0.90 -2.16 0.00 0.00 0.00 175.10 173.23 1q5r s PRO 73 N -2.72 2.65 0.45 2.72 0.04 -1.26 -3.79 135.00 133.09 1q5r s PRO 73 Ca 0.02 -0.23 -0.18 0.00 0.04 0.00 0.00 61.00 60.65 1q5r s PRO 73 Cb -0.02 -2.29 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 1q5r s PRO 73 CO -0.02 -0.84 0.92 -0.51 0.04 0.00 0.00 177.00 176.60 1q5r s LEU 74 N -5.00 3.83 0.83 -3.56 1.43 -1.26 -5.00 118.68 109.94 1q5r s LEU 74 Ca 0.56 1.54 -0.12 0.00 -1.03 0.00 0.00 54.13 55.08 1q5r s LEU 74 Cb -0.11 -4.42 0.09 0.00 0.03 0.00 0.00 46.19 41.79 1q5r s LEU 74 CO 0.43 -0.43 1.15 -0.89 0.23 0.00 0.00 176.35 176.84 1q5r s THR 75 N -2.34 2.45 0.10 5.49 2.01 -1.26 -4.73 115.64 117.36 1q5r s THR 75 Ca 0.59 0.16 -0.22 0.00 0.31 0.00 0.00 61.69 62.53 1q5r s THR 75 Cb -0.10 -2.44 -0.12 0.00 0.01 0.00 0.00 72.50 69.85 1q5r s THR 75 CO 0.22 -0.17 1.73 0.15 -0.69 0.00 0.00 174.62 175.86 1q5r h PHE 76 N -1.25 -0.02 -0.98 4.92 3.57 -1.96 0.76 116.94 122.00 1q5r h PHE 76 Ca -0.44 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.15 1q5r h PHE 76 Cb 1.27 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.95 1q5r h PHE 76 CO 0.51 -0.02 0.62 -0.44 -2.23 0.00 0.00 178.31 176.76 1q5r h ASP 77 N 0.01 0.96 -0.44 0.41 5.19 -1.98 0.24 116.42 120.80 1q5r h ASP 77 Ca 0.02 0.03 0.04 0.00 -0.62 0.00 0.00 57.03 56.50 1q5r h ASP 77 Cb 0.03 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 39.33 1q5r h ASP 77 CO -0.05 0.57 0.22 1.23 -3.12 0.00 0.00 179.24 178.09 1q5r h GLY 78 N 1.07 0.61 1.10 2.75 0.00 -1.62 0.25 103.07 107.23 1q5r h GLY 78 Ca 0.45 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 1q5r h GLY 78 CO -0.21 0.10 0.49 0.50 0.00 0.00 0.00 176.54 177.42 1q5r h LYS 79 N 0.43 1.18 -0.27 4.80 1.57 0.15 -1.80 116.57 122.63 1q5r h LYS 79 Ca 0.19 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.72 1q5r h LYS 79 Cb 0.10 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1q5r h LYS 79 CO -0.14 0.85 -0.37 0.00 -0.57 0.00 0.00 179.45 179.22 1q5r h ALA 80 N 1.34 0.85 0.00 3.86 0.00 0.40 -2.48 119.26 123.23 1q5r h ALA 80 Ca 0.30 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1q5r h ALA 80 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1q5r h ALA 80 CO -0.05 0.64 -0.35 -0.97 0.00 0.00 0.00 179.25 178.52 1q5r h ASN 81 N 0.51 0.00 -0.10 0.00 -0.00 0.00 -2.43 115.58 113.56 1q5r h ASN 81 Ca 0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 56.30 56.27 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 0.35 -0.25 0.03 -0.00 0.00 0.00 177.43 177.63 1q5r h ARG 82 N 0.00 0.35 -0.93 6.67 2.47 -1.07 -2.59 114.38 119.28 1q5r h ARG 82 Ca -0.00 -0.24 0.10 0.00 -1.26 0.00 0.00 59.98 58.58 1q5r h ARG 82 Cb 0.68 0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 28.96 1q5r h ARG 82 CO 0.05 0.85 0.60 1.25 0.56 0.00 0.00 179.97 183.27 1q5r h LEU 83 N -0.09 0.86 0.62 3.04 6.46 -1.20 -0.82 115.31 124.16 1q5r h LEU 83 Ca -0.00 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.76 1q5r h LEU 83 Cb 0.86 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 1q5r h LEU 83 CO 0.05 0.50 -0.32 0.00 -0.62 0.00 0.00 178.44 178.05 1q5r h ALA 84 N 1.54 -0.87 -0.95 1.25 0.00 -1.36 0.65 119.26 119.52 1q5r h ALA 84 Ca 0.44 -0.18 0.30 0.00 0.00 0.00 0.00 54.91 55.46 1q5r h ALA 84 Cb 0.41 0.37 -0.16 0.00 0.00 0.00 0.00 17.79 18.41 1q5r h ALA 84 CO -0.20 -1.00 0.34 0.77 0.00 0.00 0.00 179.25 179.17 1q5r h SER 85 N -0.87 0.10 -0.02 0.00 0.02 -0.78 0.24 113.55 112.24 1q5r h SER 85 Ca -0.08 0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1q5r h SER 85 Cb 0.68 0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.49 1q5r h SER 85 CO 0.12 -0.24 -0.05 0.24 -1.14 0.00 0.00 176.83 175.75 1q5r h MET 86 N 0.16 0.08 -0.32 3.45 2.07 -0.71 -2.89 114.93 116.77 1q5r h MET 86 Ca 0.66 -0.05 0.06 0.00 -2.07 0.00 0.00 59.70 58.30 1q5r h MET 86 Cb 1.49 0.01 -0.06 0.00 -1.87 0.00 0.00 31.60 31.16 1q5r h MET 86 CO -0.71 0.65 -0.07 0.28 1.07 0.00 0.00 176.91 178.13 1q5r h VAL 87 N -0.49 0.69 -0.63 -2.22 2.07 0.95 0.65 116.25 117.27 1q5r h VAL 87 Ca -0.00 -0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.70 1q5r h VAL 87 Cb 0.65 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1q5r h VAL 87 CO 0.01 0.00 0.62 -0.09 0.02 0.00 0.00 177.57 178.13 1q5r h ARG 88 N 0.01 0.00 0.00 1.57 2.43 -0.63 0.44 114.38 118.19 1q5r h ARG 88 Ca 0.15 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.21 1q5r h ARG 88 Cb 0.23 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1q5r h ARG 88 CO -0.32 0.00 -0.52 0.78 -1.51 0.00 0.00 179.97 178.40 1q5r h GLY 89 N 0.00 0.00 0.87 2.80 0.00 -0.65 -3.06 103.07 103.04 1q5r h GLY 89 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 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 -3.31 0.35 -0.34 0.19 5.15 0.15 -3.55 115.26 113.91 1q5r n ASN 90 Ca 0.01 -0.78 0.31 0.00 -0.60 0.00 0.00 54.58 53.52 1q5r n ASN 90 Cb 0.70 -0.07 0.66 0.00 -0.53 0.00 0.00 39.78 40.54 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 0.50 0.18 -0.02 1.20 7.12 -1.45 0.12 115.31 122.96 1q5r h LEU 91 Ca 0.00 0.04 -0.00 0.00 0.13 0.00 0.00 57.88 58.05 1q5r h LEU 91 Cb 0.23 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.37 1q5r h LEU 91 CO 0.00 0.02 -0.00 1.23 -0.13 0.00 0.00 178.44 179.56 1q5r h GLY 92 N 0.15 0.03 2.00 3.75 0.00 -1.85 -2.10 103.07 105.06 1q5r h GLY 92 Ca 0.60 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.86 1q5r h GLY 92 CO -0.14 0.02 -0.21 0.00 0.00 0.00 0.00 176.54 176.21 1q5r h ALA 93 N 0.66 1.34 0.01 3.60 0.00 -1.18 -2.65 119.26 121.04 1q5r h ALA 93 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1q5r h ALA 93 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1q5r h ALA 93 CO 0.00 0.27 -0.00 0.00 0.00 0.00 0.00 179.25 179.52 1q5r h ALA 94 N 1.79 -0.01 0.00 0.00 0.00 -0.69 0.38 119.26 120.72 1q5r h ALA 94 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1q5r h ALA 94 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1q5r h ALA 94 CO 0.03 -0.38 0.00 -1.33 0.00 0.00 0.00 179.25 177.57 1q5r n MET 95 N -4.98 0.02 -0.51 0.00 2.81 -0.81 -1.19 117.12 112.47 1q5r n MET 95 Ca -0.08 0.32 0.08 0.00 -1.81 0.00 0.00 57.70 56.22 1q5r n MET 95 Cb 0.14 -1.50 0.28 0.00 -0.71 0.00 0.00 33.22 31.44 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 -1.47 3.38 -0.21 0.03 6.02 -0.92 -4.94 117.38 119.28 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 0.10 -1.85 0.00 0.00 1.02 0.00 0.00 30.24 29.51 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 0.02 0.86 2.30 1.08 0.00 -0.33 -4.95 105.19 104.17 1q5r n GLY 97 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 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 7.10 -4.79 0.99 4.32 0.13 -4.89 117.00 119.87 1q5r n LEU 98 Ca 0.00 -4.42 -0.32 0.00 -0.02 0.00 0.00 56.01 51.24 1q5r n LEU 98 Cb 0.00 -0.85 0.04 0.00 -1.62 0.00 0.00 43.42 41.00 1q5r n LEU 98 CO 0.00 1.62 0.72 0.00 -1.22 0.00 0.00 177.39 178.52 1q5r s ALA 99 N -3.79 2.55 -0.13 -1.18 0.00 -1.23 -4.19 121.76 113.78 1q5r s ALA 99 Ca 0.61 0.37 -0.12 0.00 0.00 0.00 0.00 51.96 52.83 1q5r s ALA 99 Cb 0.48 -3.26 0.03 0.00 0.00 0.00 0.00 23.12 20.38 1q5r s ALA 99 CO -0.02 -1.21 0.34 0.14 0.00 0.00 0.00 175.76 175.01 1q5r s VAL 100 N -2.59 -0.00 -0.08 0.00 -7.23 -1.26 -2.14 120.40 107.10 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 -0.17 -0.48 0.02 0.00 0.56 0.00 0.00 36.38 36.31 1q5r s VAL 100 CO 0.45 0.00 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.49 1q5r s VAL 101 N 0.20 0.78 0.50 1.32 1.01 0.27 -4.90 120.40 119.59 1q5r s VAL 101 Ca -0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.80 1q5r s VAL 101 Cb -0.02 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.55 1q5r s VAL 101 CO 0.00 0.31 0.74 -2.16 0.00 0.00 0.00 175.10 173.99 1q5r s PRO 102 N 1.47 2.85 -0.14 2.72 0.04 -1.26 -1.43 135.00 139.25 1q5r s PRO 102 Ca -0.01 -0.54 -0.02 0.00 0.04 0.00 0.00 61.00 60.47 1q5r s PRO 102 Cb -0.13 -2.50 0.04 0.00 0.04 0.00 0.00 34.50 31.95 1q5r s PRO 102 CO -0.04 -0.49 0.01 -1.17 0.04 0.00 0.00 177.00 175.35 1q5r s LEU 103 N -4.69 0.96 -0.14 -3.56 0.20 0.43 -3.67 118.68 108.22 1q5r s LEU 103 Ca 0.52 -0.48 -0.04 0.00 0.69 0.00 0.00 54.13 54.82 1q5r s LEU 103 Cb -0.10 -0.57 -0.03 0.00 -0.43 0.00 0.00 46.19 45.06 1q5r s LEU 103 CO 0.39 -0.24 0.01 -0.22 -0.29 0.00 0.00 176.35 176.00 1q5r s LEU 104 N 1.88 3.56 0.11 -0.68 2.96 -0.32 -1.38 118.68 124.80 1q5r s LEU 104 Ca 0.02 0.04 0.05 0.00 -0.22 0.00 0.00 54.13 54.02 1q5r s LEU 104 Cb -0.15 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1q5r s LEU 104 CO -0.07 0.25 -0.13 0.68 -1.32 0.00 0.00 176.35 175.76 1q5r s VAL 105 N -0.10 1.20 0.02 1.68 -7.23 -0.16 -0.12 120.40 115.69 1q5r s VAL 105 Ca 0.04 -1.61 -0.28 0.00 -1.81 0.00 0.00 61.98 58.32 1q5r s VAL 105 Cb -0.13 -1.40 0.10 0.00 0.56 0.00 0.00 36.38 35.51 1q5r s VAL 105 CO 0.02 -0.41 0.94 -0.83 -0.31 0.00 0.00 175.10 174.52 1q5r s GLY 106 N -2.30 -0.40 -0.51 2.32 0.00 -0.90 -1.48 107.32 104.05 1q5r s GLY 106 Ca 0.06 0.83 -0.17 0.00 0.00 0.00 0.00 44.72 45.44 1q5r s GLY 106 CO 0.02 0.26 0.50 -0.47 0.00 0.00 0.00 173.10 173.41 1q5r s TYR 107 N -3.08 3.18 -0.59 1.90 5.04 -0.68 -1.60 117.35 121.52 1q5r s TYR 107 Ca 0.07 -0.97 -0.26 0.00 -2.44 0.00 0.00 57.07 53.47 1q5r s TYR 107 Cb -0.01 -3.52 -0.03 0.00 0.35 0.00 0.00 41.96 38.75 1q5r s TYR 107 CO -0.06 -0.96 2.00 0.34 -1.34 0.00 0.00 175.55 175.53 1q5r s ASP 108 N 3.04 5.04 0.45 4.32 2.15 0.13 -4.82 116.67 126.98 1q5r s ASP 108 Ca 0.06 0.49 0.12 0.00 0.43 0.00 0.00 52.55 53.65 1q5r s ASP 108 Cb -0.25 -2.52 1.02 0.00 -0.30 0.00 0.00 42.92 40.87 1q5r s ASP 108 CO 0.06 -2.53 2.06 -0.07 -0.17 0.00 0.00 175.17 174.53 1q5r h LEU 109 N 17.32 0.31 -3.24 -1.34 4.07 -1.94 -1.74 115.31 128.76 1q5r h LEU 109 Ca -0.24 -0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.40 1q5r h LEU 109 Cb 1.18 -0.07 -0.16 0.00 1.08 0.00 0.00 40.66 42.69 1q5r h LEU 109 CO 1.20 0.21 0.40 0.47 -1.08 0.00 0.00 178.44 179.65 1q5r n ASP 110 N -4.49 4.48 -4.94 -0.43 8.00 -1.26 -4.92 116.55 113.00 1q5r n ASP 110 Ca 0.03 -2.97 -0.22 0.00 0.71 0.00 0.00 54.79 52.34 1q5r n ASP 110 Cb 0.16 -0.81 -0.03 0.00 -0.02 0.00 0.00 41.12 40.42 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 -1.89 3.88 -0.02 2.24 0.00 -0.66 -5.06 121.76 120.25 1q5r s ALA 111 Ca 0.32 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 1q5r s ALA 111 Cb 0.27 -1.67 -0.00 0.00 0.00 0.00 0.00 23.12 21.72 1q5r s ALA 111 CO 0.04 0.31 -0.01 -0.44 0.00 0.00 0.00 175.76 175.66 1q5r h ASP 112 N 1.46 0.00 -1.30 0.00 3.32 -1.91 -3.43 116.42 114.56 1q5r h ASP 112 Ca -0.51 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.19 1q5r h ASP 112 Cb 1.22 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1q5r h ASP 112 CO 0.63 0.09 1.06 -1.81 -1.72 0.00 0.00 179.24 177.48 1q5r s ASP 113 N -3.55 4.69 0.00 6.45 1.01 -1.26 -4.76 116.67 119.25 1q5r s ASP 113 Ca -0.01 0.33 0.00 0.00 0.71 0.00 0.00 52.55 53.58 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 0.01 -2.92 0.91 -0.62 0.21 0.00 0.00 175.17 172.77 1q5r n GLU 114 N 9.00 0.00 -0.01 8.23 -0.58 -1.26 0.36 120.64 136.38 1q5r n GLU 114 Ca 0.35 0.42 -0.01 0.00 -0.42 0.00 0.00 57.16 57.49 1q5r n GLU 114 Cb 0.50 -1.51 -0.12 0.00 -0.57 0.00 0.00 31.44 29.74 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 -1.41 0.48 -1.12 1.62 3.41 -1.26 -4.14 113.62 111.19 1q5r n SER 115 Ca 0.00 0.21 0.08 0.00 -0.26 0.00 0.00 58.87 58.90 1q5r n SER 115 Cb 0.01 0.70 0.27 0.00 -0.26 0.00 0.00 64.21 64.94 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 -2.74 3.32 0.32 4.33 5.12 0.16 -4.51 116.66 122.65 1q5r n ARG 116 Ca -0.15 -2.67 0.21 0.00 -1.93 0.00 0.00 57.85 53.31 1q5r n ARG 116 Cb 0.88 -1.74 1.06 0.00 -1.16 0.00 0.00 32.46 31.51 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 2.77 1.02 -2.79 7.54 0.00 -1.21 -3.43 119.26 123.16 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 1.29 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.09 1q5r h ALA 117 CO 0.18 0.00 0.44 0.20 0.00 0.00 0.00 179.25 180.08 1q5r s GLY 118 N -4.16 3.08 0.03 0.00 0.00 -1.26 0.18 107.32 105.18 1q5r s GLY 118 Ca -0.03 0.82 -0.00 0.00 0.00 0.00 0.00 44.72 45.51 1q5r s GLY 118 CO 0.45 1.42 -0.03 0.50 0.00 0.00 0.00 173.10 175.45 1q5r s ARG 119 N -1.34 0.38 -0.07 2.90 0.52 -0.63 -4.93 118.95 115.79 1q5r s ARG 119 Ca 0.44 -0.75 0.01 0.00 -0.52 0.00 0.00 55.73 54.91 1q5r s ARG 119 Cb -0.30 0.12 0.02 0.00 0.52 0.00 0.00 34.95 35.30 1q5r s ARG 119 CO 0.38 -0.06 -0.08 0.42 0.02 0.00 0.00 175.30 175.98 1q5r s ILE 120 N -1.99 0.92 -0.10 1.52 1.01 -1.26 -2.12 121.20 119.17 1q5r s ILE 120 Ca -0.11 -0.30 0.03 0.00 0.00 0.00 0.00 60.65 60.26 1q5r s ILE 120 Cb -0.06 -0.90 0.01 0.00 0.01 0.00 0.00 42.46 41.52 1q5r s ILE 120 CO -0.03 0.32 -0.18 -0.69 0.00 0.00 0.00 174.94 174.36 1q5r s VAL 121 N 1.09 1.65 0.30 2.92 1.01 0.83 -1.10 120.40 127.10 1q5r s VAL 121 Ca -0.07 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1q5r s VAL 121 Cb -0.14 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 1q5r s VAL 121 CO -0.01 0.47 0.32 -0.94 0.00 0.00 0.00 175.10 174.94 1q5r s SER 122 N 0.71 5.66 0.23 3.32 1.04 -0.47 -1.17 113.70 123.02 1q5r s SER 122 Ca -0.12 -0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.06 1q5r s SER 122 Cb -0.16 -1.27 -0.05 0.00 0.10 0.00 0.00 66.02 64.64 1q5r s SER 122 CO 0.03 -0.25 0.01 -0.31 0.98 0.00 0.00 173.24 173.69 1q5r s TYR 123 N -2.18 1.51 0.59 5.02 1.51 -1.24 -0.92 117.35 121.63 1q5r s TYR 123 Ca 0.39 -0.96 0.10 0.00 -1.01 0.00 0.00 57.07 55.58 1q5r s TYR 123 Cb -0.08 -0.87 0.10 0.00 -0.11 0.00 0.00 41.96 41.00 1q5r s TYR 123 CO 0.28 -0.10 0.81 -0.51 -1.11 0.00 0.00 175.55 174.92 1q5r s ASP 124 N -3.29 5.03 -0.00 2.29 -0.00 -0.75 -4.91 116.67 115.03 1q5r s ASP 124 Ca 0.29 -0.91 0.22 0.00 -0.00 0.00 0.00 52.55 52.14 1q5r s ASP 124 Cb 0.06 0.42 -0.23 0.00 -0.00 0.00 0.00 42.92 43.17 1q5r s ASP 124 CO 0.08 -1.41 0.76 1.33 -0.00 0.00 0.00 175.17 175.94 1q5r n VAL 125 N -2.28 0.02 0.97 -1.27 0.24 -1.26 -4.00 118.33 110.75 1q5r n VAL 125 Ca 0.16 -0.22 0.11 0.00 -2.04 0.00 0.00 64.34 62.36 1q5r n VAL 125 Cb 0.62 0.53 0.32 0.00 -1.47 0.00 0.00 33.84 33.84 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 -1.84 0.27 -0.12 3.34 0.24 -1.26 -4.30 118.33 114.66 1q5r n VAL 126 Ca 0.01 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 1q5r n VAL 126 Cb 0.43 0.62 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 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 0.94 3.85 7.63 0.00 -1.26 -4.66 105.19 112.94 1q5r n GLY 127 Ca 0.17 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.01 2.08 0.09 -0.02 0.00 -1.26 -4.73 107.32 101.47 1q5r s GLY 128 Ca 0.00 0.13 0.08 0.00 0.00 0.00 0.00 44.72 44.92 1q5r s GLY 128 CO 0.00 0.39 -0.20 1.09 0.00 0.00 0.00 173.10 174.38 1q5r s ARG 129 N -3.93 1.09 -0.01 2.90 1.70 -1.26 -1.81 118.95 117.63 1q5r s ARG 129 Ca 0.58 -1.11 0.01 0.00 -0.47 0.00 0.00 55.73 54.74 1q5r s ARG 129 Cb -0.10 -1.30 0.00 0.00 -0.57 0.00 0.00 34.95 32.98 1q5r s ARG 129 CO 0.29 0.30 -0.04 0.71 -1.08 0.00 0.00 175.30 175.48 1q5r s TYR 130 N -1.16 0.44 -0.11 5.89 1.51 -0.10 -4.98 117.35 118.85 1q5r s TYR 130 Ca 0.05 -0.08 -0.27 0.00 -1.01 0.00 0.00 57.07 55.76 1q5r s TYR 130 Cb -0.10 -0.32 -0.02 0.00 -0.11 0.00 0.00 41.96 41.41 1q5r s TYR 130 CO 0.04 -0.04 0.89 -1.21 -1.11 0.00 0.00 175.55 174.12 1q5r s GLU 131 N 0.09 4.40 -0.07 -0.62 0.41 -1.26 -1.37 118.70 120.28 1q5r s GLU 131 Ca -0.01 1.18 -0.04 0.00 -0.41 0.00 0.00 54.97 55.69 1q5r s GLU 131 Cb -0.04 -3.53 -0.02 0.00 -1.78 0.00 0.00 34.13 28.75 1q5r s GLU 131 CO -0.00 -0.23 0.20 0.93 -0.49 0.00 0.00 175.26 175.66 1q5r h GLU 132 N 7.10 -0.15 -6.60 1.61 4.39 -1.50 -3.48 114.58 115.94 1q5r h GLU 132 Ca -0.33 0.01 -0.52 0.00 0.34 0.00 0.00 59.36 58.86 1q5r h GLU 132 Cb 1.16 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.79 1q5r h GLU 132 CO 0.82 -0.10 -0.93 2.89 -1.16 0.00 0.00 179.01 180.54 1q5r n ARG 133 N -4.48 -2.18 0.00 2.33 1.85 -1.26 -4.76 116.66 108.15 1q5r n ARG 133 Ca -0.02 0.32 0.00 0.00 -1.00 0.00 0.00 57.85 57.15 1q5r n ARG 133 Cb 0.06 -4.07 0.00 0.00 -1.05 0.00 0.00 32.46 27.40 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 -4.47 0.33 0.00 2.89 0.00 -1.26 -4.99 120.51 113.01 1q5r n ALA 134 Ca -0.26 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1q5r n ALA 134 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 0.03 3.05 3.48 0.00 0.00 -1.26 -4.99 105.19 105.50 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 -2.38 0.08 0.07 1.61 -0.85 -1.26 -0.32 117.35 114.30 1q5r s TYR 136 Ca 0.00 -0.44 -0.27 0.00 -0.52 0.00 0.00 57.07 55.84 1q5r s TYR 136 Cb 0.00 0.25 0.08 0.00 0.38 0.00 0.00 41.96 42.67 1q5r s TYR 136 CO 0.00 -0.88 0.93 -1.58 -1.52 0.00 0.00 175.55 172.51 1q5r s HIS 137 N -3.92 -0.23 0.22 -3.49 2.46 -0.08 -4.91 115.29 105.33 1q5r s HIS 137 Ca 0.13 0.02 -0.10 0.00 0.47 0.00 0.00 55.06 55.58 1q5r s HIS 137 Cb 0.00 0.59 -0.01 0.00 -0.13 0.00 0.00 32.58 33.03 1q5r s HIS 137 CO -0.00 -0.67 0.36 0.00 -2.47 0.00 0.00 174.74 171.96 1q5r s ALA 138 N -3.18 0.07 -0.01 1.58 0.00 -1.26 -0.19 121.76 118.77 1q5r s ALA 138 Ca 0.09 -1.02 -0.21 0.00 0.00 0.00 0.00 51.96 50.82 1q5r s ALA 138 Cb -0.01 1.07 0.04 0.00 0.00 0.00 0.00 23.12 24.23 1q5r s ALA 138 CO -0.04 -0.75 0.45 0.14 0.00 0.00 0.00 175.76 175.57 1q5r s VAL 139 N -4.03 0.04 0.00 0.00 -7.23 -0.52 -4.93 120.40 103.73 1q5r s VAL 139 Ca 0.24 -0.31 0.00 0.00 -1.81 0.00 0.00 61.98 60.10 1q5r s VAL 139 Cb 0.02 -0.81 0.00 0.00 0.56 0.00 0.00 36.38 36.14 1q5r s VAL 139 CO 0.07 -0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 1q5r n GLY 140 N 0.97 2.21 0.31 2.32 0.00 -1.26 -0.52 105.19 109.23 1q5r n GLY 140 Ca -0.20 -2.00 0.06 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.63 0.51 1.61 4.64 -1.85 0.38 113.55 118.21 1q5r h SER 141 Ca 0.00 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1q5r h SER 141 Cb 0.00 0.48 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1q5r h SER 141 CO 0.00 -0.27 -0.01 0.61 -0.87 0.00 0.00 176.83 176.29 1q5r n GLY 142 N -1.51 -1.24 0.32 -0.77 0.00 -1.26 -4.16 105.19 96.57 1q5r n GLY 142 Ca 0.15 -0.16 0.16 0.00 0.00 0.00 0.00 46.02 46.17 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 0.04 -0.03 -0.07 1.61 4.64 -0.44 0.68 113.55 119.97 1q5r h SER 143 Ca 0.00 0.22 0.03 0.00 -0.47 0.00 0.00 61.79 61.57 1q5r h SER 143 Cb 0.27 0.30 -0.03 0.00 -0.31 0.00 0.00 62.40 62.62 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 0.16 -0.36 0.04 5.97 7.12 -1.76 0.14 115.31 126.62 1q5r h LEU 144 Ca 0.60 0.07 -0.00 0.00 0.13 0.00 0.00 57.88 58.67 1q5r h LEU 144 Cb 1.27 0.17 0.00 0.00 -0.53 0.00 0.00 40.66 41.57 1q5r h LEU 144 CO -0.72 -0.16 -0.02 -0.26 -0.13 0.00 0.00 178.44 177.15 1q5r h PHE 145 N -0.17 -0.05 -0.32 1.25 -1.00 -1.41 -2.90 116.94 112.34 1q5r h PHE 145 Ca 0.07 -0.00 0.07 0.00 2.81 0.00 0.00 57.97 60.92 1q5r h PHE 145 Cb 0.26 0.02 -0.08 0.00 3.61 0.00 0.00 35.95 39.76 1q5r h PHE 145 CO -0.21 0.38 -0.27 0.00 -1.61 0.00 0.00 178.31 176.60 1q5r h ALA 146 N 0.42 -0.12 -0.95 2.45 0.00 -0.85 -0.26 119.26 119.95 1q5r h ALA 146 Ca -0.01 0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.11 1q5r h ALA 146 Cb 0.46 0.57 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 1q5r h ALA 146 CO 0.01 -0.68 0.58 0.87 0.00 0.00 0.00 179.25 180.04 1q5r h LYS 147 N -0.24 0.90 0.00 0.00 1.57 -0.76 -0.80 116.57 117.24 1q5r h LYS 147 Ca 0.16 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1q5r h LYS 147 Cb 0.49 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1q5r h LYS 147 CO -0.45 0.60 -0.24 0.77 -0.57 0.00 0.00 179.45 179.56 1q5r h SER 148 N 0.93 0.00 0.01 0.86 0.02 -0.88 -0.28 113.55 114.20 1q5r h SER 148 Ca 0.47 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.29 1q5r h SER 148 Cb 0.46 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.01 1q5r h SER 148 CO -0.26 0.24 -0.50 0.00 -1.14 0.00 0.00 176.83 175.16 1q5r h ALA 149 N 1.76 0.05 -0.57 3.77 0.00 0.09 -3.14 119.26 121.22 1q5r h ALA 149 Ca -0.00 -0.55 0.02 0.00 0.00 0.00 0.00 54.91 54.38 1q5r h ALA 149 Cb 0.52 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1q5r h ALA 149 CO 0.03 0.27 0.37 -0.07 0.00 0.00 0.00 179.25 179.86 1q5r h LEU 150 N -0.24 0.60 -2.02 0.00 -0.00 -0.91 0.92 115.31 113.65 1q5r h LEU 150 Ca -0.06 -0.01 0.13 0.00 -0.00 0.00 0.00 57.88 57.93 1q5r h LEU 150 Cb 1.24 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 41.74 1q5r h LEU 150 CO 0.10 0.42 0.40 0.50 -0.00 0.00 0.00 178.44 179.86 1q5r h LYS 151 N 0.70 0.00 0.00 1.13 3.64 -1.00 -0.76 116.57 120.27 1q5r h LYS 151 Ca 0.22 0.00 -0.42 0.00 -1.27 0.00 0.00 60.65 59.18 1q5r h LYS 151 Cb 0.03 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.78 1q5r h LYS 151 CO -0.06 0.00 -2.42 1.63 -2.27 0.00 0.00 179.45 176.33 1q5r n LYS 152 N -3.94 0.55 0.00 1.90 4.76 0.14 -4.66 118.16 116.90 1q5r n LYS 152 Ca 0.08 0.23 0.13 0.00 -2.87 0.00 0.00 58.31 55.88 1q5r n LYS 152 Cb 0.59 -1.42 0.45 0.00 -1.84 0.00 0.00 35.03 32.82 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 -4.04 0.00 -3.04 -0.18 -5.35 -0.15 -4.88 119.36 101.72 1q5r n ILE 153 Ca -0.50 -0.10 -0.40 0.00 -0.27 0.00 0.00 62.75 61.48 1q5r n ILE 153 Cb 0.87 0.23 -0.05 0.00 -1.74 0.00 0.00 39.64 38.95 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 -0.30 -4.94 117.35 122.33 1q5r s TYR 154 Ca 0.26 1.13 0.03 0.00 -2.44 0.00 0.00 57.07 56.05 1q5r s TYR 154 Cb 0.19 -2.85 -0.02 0.00 0.35 0.00 0.00 41.96 39.64 1q5r s TYR 154 CO 0.51 -0.08 -0.16 -1.54 -1.34 0.00 0.00 175.55 172.93 1q5r s SER 155 N 1.02 3.85 0.00 4.32 1.04 -1.26 -4.94 113.70 117.73 1q5r s SER 155 Ca 0.34 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1q5r s SER 155 Cb -0.17 -1.00 0.00 0.00 0.10 0.00 0.00 66.02 64.95 1q5r s SER 155 CO 0.14 0.29 0.00 -2.65 0.98 0.00 0.00 173.24 172.00 1q5r n PRO 156 N 2.68 1.91 -1.62 4.02 -0.02 -1.26 -4.55 135.00 136.16 1q5r n PRO 156 Ca -0.17 0.00 -0.57 0.00 -2.02 0.00 0.00 63.50 60.73 1q5r n PRO 156 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.92 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 2.10 -3.10 2.55 9.92 -1.26 -4.66 116.55 122.10 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 -1.12 0.02 0.00 -0.64 0.00 0.00 41.12 39.37 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 -0.04 0.98 -2.24 1.04 -1.26 -4.72 113.70 111.99 1q5r s SER 158 Ca 1.03 -1.03 -0.15 0.00 0.48 0.00 0.00 55.95 56.28 1q5r s SER 158 Cb -1.10 0.81 -0.02 0.00 0.10 0.00 0.00 66.02 65.81 1q5r s SER 158 CO 0.64 -1.60 -0.06 0.47 0.98 0.00 0.00 173.24 173.67 1q5r n ASP 159 N -1.24 -3.34 0.17 7.02 9.92 -1.26 -2.77 116.55 125.05 1q5r n ASP 159 Ca -0.07 0.24 0.07 0.00 -0.53 0.00 0.00 54.79 54.49 1q5r n ASP 159 Cb 0.60 -1.03 0.09 0.00 -0.64 0.00 0.00 41.12 40.13 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 -1.41 0.00 0.00 -1.24 4.81 -1.99 -2.77 114.58 111.98 1q5r h GLU 160 Ca -0.44 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.64 1q5r h GLU 160 Cb 1.30 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 1q5r h GLU 160 CO 0.31 0.28 -1.02 1.49 -0.73 0.00 0.00 179.01 179.34 1q5r h GLU 161 N 0.00 0.00 -0.12 1.92 4.81 -1.98 -2.37 114.58 116.84 1q5r h GLU 161 Ca -0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1q5r h GLU 161 Cb 1.22 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.61 1q5r h GLU 161 CO 0.04 0.45 -0.47 1.15 -0.73 0.00 0.00 179.01 179.45 1q5r h THR 162 N 0.00 1.36 -0.29 0.32 2.02 -1.88 -1.82 112.91 112.63 1q5r h THR 162 Ca -0.09 -1.78 -0.10 0.00 0.77 0.00 0.00 66.41 65.21 1q5r h THR 162 Cb 1.54 2.15 -0.01 0.00 -1.74 0.00 0.00 68.15 70.09 1q5r h THR 162 CO 0.06 0.54 -0.22 0.00 0.37 0.00 0.00 175.52 176.27 1q5r h ALA 163 N 0.49 0.42 0.00 6.16 0.00 -1.59 -0.84 119.26 123.90 1q5r h ALA 163 Ca -0.03 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1q5r h ALA 163 Cb 1.11 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1q5r h ALA 163 CO 0.10 0.38 -0.15 1.25 0.00 0.00 0.00 179.25 180.83 1q5r h LEU 164 N 0.40 0.00 -0.03 0.00 5.85 -1.47 -0.46 115.31 119.61 1q5r h LEU 164 Ca 0.05 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.61 1q5r h LEU 164 Cb 0.77 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.81 1q5r h LEU 164 CO 0.06 0.15 -0.63 -0.09 -0.34 0.00 0.00 178.44 177.58 1q5r h ARG 165 N 0.00 0.49 -0.76 1.25 2.43 -1.07 -2.20 114.38 114.53 1q5r h ARG 165 Ca -0.00 -0.48 0.01 0.00 -0.81 0.00 0.00 59.98 58.70 1q5r h ARG 165 Cb 0.28 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 1q5r h ARG 165 CO 0.02 1.12 0.50 0.00 -1.51 0.00 0.00 179.97 180.10 1q5r h ALA 166 N 0.38 0.97 0.86 2.80 0.00 -0.47 -0.86 119.26 122.95 1q5r h ALA 166 Ca -0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1q5r h ALA 166 Cb 1.32 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.83 1q5r h ALA 166 CO 0.13 0.35 -0.41 0.00 0.00 0.00 0.00 179.25 179.31 1q5r h ALA 167 N 1.29 -1.18 -0.70 0.00 0.00 -1.12 -0.21 119.26 117.35 1q5r h ALA 167 Ca 0.29 -0.25 0.20 0.00 0.00 0.00 0.00 54.91 55.15 1q5r h ALA 167 Cb -0.08 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1q5r h ALA 167 CO -0.08 -1.09 0.54 0.82 0.00 0.00 0.00 179.25 179.44 1q5r h ILE 168 N -1.28 0.56 -0.10 0.00 2.04 -1.27 0.36 117.51 117.83 1q5r h ILE 168 Ca -0.12 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.62 1q5r h ILE 168 Cb 0.88 0.62 0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1q5r h ILE 168 CO 0.19 0.00 -0.42 -0.08 0.00 0.00 0.00 178.15 177.85 1q5r h GLU 169 N 0.00 0.45 -0.34 2.37 4.81 -0.75 -3.02 114.58 118.10 1q5r h GLU 169 Ca 0.33 -0.36 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1q5r h GLU 169 Cb 1.41 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.84 1q5r h GLU 169 CO -0.00 0.99 0.21 0.66 -0.73 0.00 0.00 179.01 180.13 1q5r h SER 170 N 0.02 0.40 0.49 1.04 4.64 0.90 0.24 113.55 121.28 1q5r h SER 170 Ca -0.02 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 1q5r h SER 170 Cb 1.06 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 1q5r h SER 170 CO 0.09 0.31 -0.30 -0.07 -0.87 0.00 0.00 176.83 175.98 1q5r h LEU 171 N 0.47 0.00 -0.21 5.97 3.38 -1.36 0.74 115.31 124.30 1q5r h LEU 171 Ca 0.12 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 1q5r h LEU 171 Cb -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1q5r h LEU 171 CO -0.02 0.30 -0.18 1.88 0.09 0.00 0.00 178.44 180.51 1q5r h TYR 172 N 0.00 0.58 -0.15 1.13 -1.99 -0.44 -1.93 116.97 114.17 1q5r h TYR 172 Ca -0.00 -0.17 -0.09 0.00 2.00 0.00 0.00 58.73 60.47 1q5r h TYR 172 Cb 0.63 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 39.22 1q5r h TYR 172 CO 0.00 0.82 -0.33 -0.44 -0.00 0.00 0.00 178.16 178.22 1q5r h ASP 173 N 0.17 0.30 -0.24 3.88 3.32 -0.80 -2.76 116.42 120.29 1q5r h ASP 173 Ca 0.04 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 1q5r h ASP 173 Cb 0.71 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1q5r h ASP 173 CO 0.05 0.62 -0.03 0.00 -1.72 0.00 0.00 179.24 178.15 1q5r h ALA 174 N 1.40 0.32 -0.18 3.45 0.00 -0.78 -2.56 119.26 120.91 1q5r h ALA 174 Ca 0.03 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.75 1q5r h ALA 174 Cb 0.71 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1q5r h ALA 174 CO 0.05 0.09 0.21 0.00 0.00 0.00 0.00 179.25 179.61 1q5r h ALA 175 N 0.77 1.78 -0.48 0.00 0.00 -1.12 -0.26 119.26 119.95 1q5r h ALA 175 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1q5r h ALA 175 Cb 0.47 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1q5r h ALA 175 CO 0.02 -0.31 0.24 -0.44 0.00 0.00 0.00 179.25 178.76 1q5r h ASP 176 N 0.00 0.63 0.00 0.00 3.32 -1.17 -3.33 116.42 115.86 1q5r h ASP 176 Ca 0.09 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1q5r h ASP 176 Cb 0.51 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1q5r h ASP 176 CO -0.00 0.58 -0.65 0.47 -1.72 0.00 0.00 179.24 177.92 1q5r n ASP 177 N -4.63 0.72 -4.17 6.45 8.00 -0.77 -4.93 116.55 117.22 1q5r n ASP 177 Ca 0.02 -0.70 -0.34 0.00 0.71 0.00 0.00 54.79 54.47 1q5r n ASP 177 Cb 0.11 1.05 -0.14 0.00 -0.02 0.00 0.00 41.12 42.13 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 -2.23 4.64 0.16 -2.24 3.68 -0.18 -4.96 116.67 115.55 1q5r s ASP 178 Ca 0.04 -1.14 0.20 0.00 2.13 0.00 0.00 52.55 53.77 1q5r s ASP 178 Cb 0.09 -1.68 0.83 0.00 -1.45 0.00 0.00 42.92 40.71 1q5r s ASP 178 CO 0.48 -0.21 1.60 -1.54 0.13 0.00 0.00 175.17 175.63 1q5r n SER 179 N 4.62 0.41 -0.25 -0.34 3.41 -1.26 -1.67 113.62 118.53 1q5r n SER 179 Ca -0.14 0.61 0.14 0.00 -0.26 0.00 0.00 58.87 59.21 1q5r n SER 179 Cb 0.44 -0.69 0.60 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.67 2.73 -2.00 7.33 0.00 -1.26 -4.64 120.51 121.00 1q5r n ALA 180 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1q5r n ALA 180 Cb 0.19 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 -0.50 0.00 -2.93 0.00 -1.04 -0.67 -4.80 114.28 104.34 1q5r n THR 181 Ca 0.17 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 62.08 1q5r n THR 181 Cb 0.29 -0.20 0.05 0.00 -1.82 0.00 0.00 70.33 68.65 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 4.11 -0.87 0.00 3.41 0.00 -1.22 -4.58 105.19 106.04 1q5r n GLY 182 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.34 -2.82 3.65 -0.02 0.00 -1.25 -4.78 105.19 98.63 1q5r n GLY 183 Ca -0.05 -0.31 -0.47 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 1.95 -3.67 1.61 -0.02 -1.26 -4.83 135.00 128.78 1q5r n PRO 184 Ca 0.00 0.70 -0.30 0.00 -2.02 0.00 0.00 63.50 61.89 1q5r n PRO 184 Cb 0.00 -2.44 -0.15 0.00 -0.02 0.00 0.00 33.50 30.89 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 0.80 3.87 0.34 2.55 -1.08 -0.80 -4.99 116.67 117.36 1q5r s ASP 185 Ca 0.79 -1.54 0.03 0.00 -0.52 0.00 0.00 52.55 51.31 1q5r s ASP 185 Cb -0.73 -0.70 0.62 0.00 -1.46 0.00 0.00 42.92 40.65 1q5r s ASP 185 CO 0.40 -0.42 1.96 -0.07 0.52 0.00 0.00 175.17 177.55 1q5r h LEU 186 N 8.18 0.64 -0.23 -1.34 3.38 -1.94 0.67 115.31 124.67 1q5r h LEU 186 Ca -0.15 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1q5r h LEU 186 Cb 1.01 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1q5r h LEU 186 CO 0.46 0.55 0.07 0.74 0.09 0.00 0.00 178.44 180.35 1q5r h THR 187 N 0.72 1.19 0.00 0.22 2.02 -1.97 -3.19 112.91 111.90 1q5r h THR 187 Ca 0.18 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1q5r h THR 187 Cb 0.07 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1q5r h THR 187 CO -0.03 0.20 -0.74 0.03 0.37 0.00 0.00 175.52 175.35 1q5r h ARG 188 N 0.21 0.00 -3.04 6.66 3.08 -1.99 -3.48 114.38 115.82 1q5r h ARG 188 Ca 0.07 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.02 1q5r h ARG 188 Cb 0.24 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.34 1q5r h ARG 188 CO -0.00 0.00 -0.23 0.41 -1.07 0.00 0.00 179.97 179.08 1q5r n GLY 189 N 1.28 0.23 3.29 0.04 0.00 0.20 -5.03 105.19 105.19 1q5r n GLY 189 Ca 0.02 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.11 3.58 0.08 -0.61 -1.09 -1.02 -5.01 121.20 114.03 1q5r s ILE 190 Ca 0.02 -0.84 0.08 0.00 -2.23 0.00 0.00 60.65 57.67 1q5r s ILE 190 Cb -0.01 -2.86 -0.03 0.00 -1.58 0.00 0.00 42.46 37.98 1q5r s ILE 190 CO 0.22 0.10 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.50 1q5r s TYR 191 N 1.43 1.86 0.72 3.97 1.51 -1.26 -1.90 117.35 123.68 1q5r s TYR 191 Ca 0.01 -0.40 -0.16 0.00 -1.01 0.00 0.00 57.07 55.52 1q5r s TYR 191 Cb -0.17 -1.05 -0.02 0.00 -0.11 0.00 0.00 41.96 40.60 1q5r s TYR 191 CO 0.00 0.17 0.70 -2.30 -1.11 0.00 0.00 175.55 173.00 1q5r n PRO 192 N 1.40 0.37 -3.98 -1.71 -0.02 -1.26 -4.86 135.00 124.94 1q5r n PRO 192 Ca -0.18 0.17 -0.35 0.00 -2.02 0.00 0.00 63.50 61.12 1q5r n PRO 192 Cb 0.53 -1.97 -0.06 0.00 -0.02 0.00 0.00 33.50 31.98 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 5.22 0.13 3.45 2.01 -0.31 -4.91 115.64 119.35 1q5r s THR 193 Ca 0.68 -0.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.59 1q5r s THR 193 Cb -0.35 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1q5r s THR 193 CO 0.55 0.46 0.07 0.00 -0.69 0.00 0.00 174.62 175.01 1q5r s ALA 194 N -1.15 0.80 -0.20 7.40 0.00 -1.26 0.45 121.76 127.79 1q5r s ALA 194 Ca 0.21 -1.43 -0.13 0.00 0.00 0.00 0.00 51.96 50.61 1q5r s ALA 194 Cb -0.12 0.85 0.06 0.00 0.00 0.00 0.00 23.12 23.91 1q5r s ALA 194 CO 0.11 -0.49 0.51 0.08 0.00 0.00 0.00 175.76 175.96 1q5r s VAL 195 N -4.04 -0.01 0.08 0.00 1.01 0.27 -2.13 120.40 115.57 1q5r s VAL 195 Ca 0.23 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.34 1q5r s VAL 195 Cb 0.07 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 1q5r s VAL 195 CO 0.01 0.02 -0.19 0.42 0.00 0.00 0.00 175.10 175.36 1q5r s THR 196 N 1.20 2.75 -0.08 3.92 -4.23 -0.61 -0.53 115.64 118.07 1q5r s THR 196 Ca -0.07 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1q5r s THR 196 Cb -0.06 -2.21 0.02 0.00 1.34 0.00 0.00 72.50 71.59 1q5r s THR 196 CO -0.12 0.22 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.50 1q5r s ILE 197 N -1.03 0.73 0.27 2.99 1.01 -0.04 -0.67 121.20 124.47 1q5r s ILE 197 Ca 0.16 -0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.70 1q5r s ILE 197 Cb -0.10 -0.77 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 1q5r s ILE 197 CO 0.07 0.30 0.26 1.07 0.00 0.00 0.00 174.94 176.64 1q5r n THR 198 N 4.59 0.00 0.11 2.92 5.66 -0.58 -1.64 114.28 125.33 1q5r n THR 198 Ca -0.16 -1.85 0.19 0.00 -3.05 0.00 0.00 64.05 59.18 1q5r n THR 198 Cb 0.50 0.96 0.60 0.00 -1.55 0.00 0.00 70.33 70.84 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 0.70 115.11 119.10 1q5r h GLN 199 Ca -0.19 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.17 1q5r h GLN 199 Cb 0.96 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.64 1q5r h GLN 199 CO 0.28 0.00 -0.26 0.00 -1.93 0.00 0.00 178.83 176.92 1q5r h ALA 200 N 1.05 0.86 0.00 3.38 0.00 -1.97 -3.50 119.26 119.09 1q5r h ALA 200 Ca 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1q5r h ALA 200 Cb 1.53 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1q5r h ALA 200 CO -0.00 0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.98 1q5r n GLY 201 N 0.93 0.49 3.76 0.00 0.00 0.24 -5.03 105.19 105.58 1q5r n GLY 201 Ca 0.02 -2.21 -0.36 0.00 0.00 0.00 0.00 46.02 43.48 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 -1.76 3.69 0.00 4.61 0.00 -0.23 -1.53 121.76 126.55 1q5r s ALA 202 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1q5r s ALA 202 Cb 0.00 -2.22 -0.00 0.00 0.00 0.00 0.00 23.12 20.90 1q5r s ALA 202 CO 0.00 0.23 -0.03 0.08 0.00 0.00 0.00 175.76 176.04 1q5r s VAL 203 N 0.09 0.26 -0.02 0.00 1.01 0.16 -4.99 120.40 116.91 1q5r s VAL 203 Ca 0.13 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 1q5r s VAL 203 Cb -0.12 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 1q5r s VAL 203 CO 0.02 0.01 1.19 -1.00 0.00 0.00 0.00 175.10 175.31 1q5r s HIS 204 N -0.23 3.28 0.42 5.22 3.76 -1.26 -1.58 115.29 124.90 1q5r s HIS 204 Ca -0.00 1.27 -0.24 0.00 -0.15 0.00 0.00 55.06 55.93 1q5r s HIS 204 Cb -0.02 -3.40 -0.08 0.00 1.11 0.00 0.00 32.58 30.18 1q5r s HIS 204 CO -0.00 -1.22 1.14 0.08 -0.85 0.00 0.00 174.74 173.89 1q5r s VAL 205 N 1.85 3.26 0.41 -0.90 1.01 -0.91 -4.96 120.40 120.16 1q5r s VAL 205 Ca 0.56 1.00 -0.19 0.00 0.00 0.00 0.00 61.98 63.35 1q5r s VAL 205 Cb -0.26 -3.53 -0.10 0.00 0.00 0.00 0.00 36.38 32.49 1q5r s VAL 205 CO 0.24 0.04 0.90 -0.94 0.00 0.00 0.00 175.10 175.34 1q5r s SER 206 N -1.30 6.88 0.49 3.32 1.04 -1.26 -4.68 113.70 118.18 1q5r s SER 206 Ca 0.59 1.59 0.20 0.00 0.48 0.00 0.00 55.95 58.81 1q5r s SER 206 Cb -0.28 -2.50 1.23 0.00 0.10 0.00 0.00 66.02 64.57 1q5r s SER 206 CO 0.35 -0.34 1.98 -0.08 0.98 0.00 0.00 173.24 176.13 1q5r h GLU 207 N 1.92 0.18 0.67 4.02 4.81 -1.94 -1.90 114.58 122.33 1q5r h GLU 207 Ca -0.49 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.70 1q5r h GLU 207 Cb 1.18 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.53 1q5r h GLU 207 CO 0.62 0.12 -0.32 0.93 -0.73 0.00 0.00 179.01 179.63 1q5r h GLU 208 N 0.18 -0.86 -0.85 1.92 5.08 -1.99 0.74 114.58 118.81 1q5r h GLU 208 Ca 0.28 0.06 0.20 0.00 -1.00 0.00 0.00 59.36 58.90 1q5r h GLU 208 Cb 0.83 0.20 -0.06 0.00 0.50 0.00 0.00 28.75 30.23 1q5r h GLU 208 CO -0.05 -0.55 0.57 1.15 -1.00 0.00 0.00 179.01 179.14 1q5r h THR 209 N -0.98 0.68 0.17 1.13 2.02 -1.75 0.96 112.91 115.14 1q5r h THR 209 Ca -0.09 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1q5r h THR 209 Cb 0.71 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1q5r h THR 209 CO 0.15 0.06 -0.08 0.74 0.37 0.00 0.00 175.52 176.75 1q5r h THR 210 N 0.30 0.00 -0.96 3.16 2.02 -1.14 -2.47 112.91 113.83 1q5r h THR 210 Ca 0.43 -0.42 0.17 0.00 0.77 0.00 0.00 66.41 67.36 1q5r h THR 210 Cb 1.20 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.53 1q5r h THR 210 CO -0.13 0.00 0.61 0.77 0.37 0.00 0.00 175.52 177.14 1q5r h SER 211 N -0.65 0.70 0.57 4.18 4.64 -0.61 0.21 113.55 122.59 1q5r h SER 211 Ca -0.02 0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 1q5r h SER 211 Cb 0.18 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1q5r h SER 211 CO 0.04 0.30 -0.28 -0.08 -0.87 0.00 0.00 176.83 175.94 1q5r h GLU 212 N 0.71 -0.74 -0.40 4.77 4.22 -0.92 -1.53 114.58 120.69 1q5r h GLU 212 Ca 0.51 0.05 0.12 0.00 0.08 0.00 0.00 59.36 60.12 1q5r h GLU 212 Cb 0.86 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1q5r h GLU 212 CO -0.28 -0.44 0.31 -0.07 -2.18 0.00 0.00 179.01 176.36 1q5r h LEU 213 N -0.97 0.00 0.20 1.64 3.38 -0.85 -1.62 115.31 117.09 1q5r h LEU 213 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1q5r h LEU 213 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1q5r h LEU 213 CO 0.13 0.00 -0.09 0.00 0.09 0.00 0.00 178.44 178.56 1q5r h ALA 214 N 1.75 -0.26 -0.76 1.53 0.00 -0.05 -2.43 119.26 119.04 1q5r h ALA 214 Ca 0.19 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1q5r h ALA 214 Cb 0.82 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1q5r h ALA 214 CO -0.00 -0.50 0.40 0.00 0.00 0.00 0.00 179.25 179.14 1q5r h ARG 215 N -0.56 1.07 -0.96 0.00 3.08 -0.49 -2.22 114.38 114.31 1q5r h ARG 215 Ca -0.03 -0.14 0.05 0.00 0.07 0.00 0.00 59.98 59.94 1q5r h ARG 215 Cb 0.42 -0.20 -0.06 0.00 0.08 0.00 0.00 29.97 30.20 1q5r h ARG 215 CO 0.04 0.81 0.63 -0.09 -1.07 0.00 0.00 179.97 180.29 1q5r h ARG 216 N 1.05 1.13 -0.52 0.04 2.43 -1.33 -2.05 114.38 115.13 1q5r h ARG 216 Ca 0.26 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1q5r h ARG 216 Cb 0.06 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.33 1q5r h ARG 216 CO -0.04 0.75 0.33 0.82 -1.51 0.00 0.00 179.97 180.32 1q5r h ILE 217 N 1.17 1.15 -1.46 1.20 2.04 -0.89 -3.39 117.51 117.33 1q5r h ILE 217 Ca 0.40 -0.30 -0.52 0.00 1.00 0.00 0.00 64.86 65.44 1q5r h ILE 217 Cb 0.08 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1q5r h ILE 217 CO -0.14 0.15 1.60 0.52 0.00 0.00 0.00 178.15 180.28 1q5r n VAL 218 N -4.70 0.05 -0.14 1.67 0.31 -0.77 -5.13 118.33 109.62 1q5r n VAL 218 Ca 0.03 -0.58 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 1q5r n VAL 218 Cb 0.04 -2.38 0.00 0.00 -0.91 0.00 0.00 33.84 30.59 1q5r n VAL 218 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51