#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 5.86 0.00 1.96 0.15 -1.26 -4.94 113.70 115.47 1q5r s SER -48 Ca 0.00 2.24 0.10 0.00 0.70 0.00 0.00 55.95 59.00 1q5r s SER -48 Cb 0.00 -2.59 0.33 0.00 -1.71 0.00 0.00 66.02 62.05 1q5r s SER -48 CO 0.00 -1.13 1.26 0.49 1.20 0.00 0.00 173.24 175.06 1q5r n PHE -47 N -1.00 0.32 -0.46 3.44 3.72 -1.26 -5.04 117.46 117.18 1q5r n PHE -47 Ca 0.10 -0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 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 -2.60 3.78 1.37 0.00 -1.26 -4.93 105.19 102.48 1q5r n GLY -46 Ca 0.10 -1.64 -0.38 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.95 7.03 0.41 1.61 0.15 -1.26 -4.95 113.70 114.75 1q5r s SER -45 Ca 0.00 2.04 0.15 0.00 0.70 0.00 0.00 55.95 58.83 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 -0.30 1.91 -1.13 1.20 0.00 0.00 173.24 174.93 1q5r h ASN -44 N 3.00 0.00 -0.45 5.45 -0.00 -1.92 -2.44 115.58 119.22 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 0.64 0.27 0.00 0.18 -0.00 0.00 0.00 177.43 178.52 1q5r n LEU -43 N -4.14 3.56 -1.63 0.34 4.32 -1.26 -4.94 117.00 113.25 1q5r n LEU -43 Ca -0.02 -1.60 -0.14 0.00 -0.02 0.00 0.00 56.01 54.22 1q5r n LEU -43 Cb 0.33 -0.29 -0.01 0.00 -1.62 0.00 0.00 43.42 41.82 1q5r n LEU -43 CO 0.37 0.79 -0.18 -1.20 -1.22 0.00 0.00 177.39 175.95 1q5r n SER -42 N 1.52 -4.41 -4.43 -1.43 7.64 -0.92 -4.98 113.62 106.61 1q5r n SER -42 Ca 0.20 -0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.69 1q5r n SER -42 Cb 0.61 -3.56 -0.12 0.00 -1.01 0.00 0.00 64.21 60.14 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 -2.36 5.55 0.26 6.43 0.15 -1.26 -4.06 113.70 118.40 1q5r s SER -41 Ca 0.00 -0.56 -0.03 0.00 0.70 0.00 0.00 55.95 56.06 1q5r s SER -41 Cb 0.00 -2.00 0.41 0.00 -1.71 0.00 0.00 66.02 62.72 1q5r s SER -41 CO 0.00 -0.21 1.85 0.15 1.20 0.00 0.00 173.24 176.23 1q5r h PHE -40 N 8.35 1.03 0.10 3.44 3.57 -1.89 -1.61 116.94 129.94 1q5r h PHE -40 Ca -0.32 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.23 1q5r h PHE -40 Cb 1.14 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 1q5r h PHE -40 CO 0.64 0.48 -0.26 1.15 -2.23 0.00 0.00 178.31 178.09 1q5r h THR -39 N 0.98 0.42 -0.41 4.41 2.02 -1.93 -1.19 112.91 117.21 1q5r h THR -39 Ca 0.42 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.71 1q5r h THR -39 Cb 0.28 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1q5r h THR -39 CO -0.21 0.00 0.33 -0.78 0.37 0.00 0.00 175.52 175.23 1q5r h ASP -38 N -0.46 0.00 0.03 4.18 3.58 -1.79 0.77 116.42 122.73 1q5r h ASP -38 Ca 0.03 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 1q5r h ASP -38 Cb 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1q5r h ASP -38 CO -0.16 0.00 -0.01 0.22 -2.88 0.00 0.00 179.24 176.40 1q5r h TYR -37 N 0.00 -0.04 -0.80 0.28 3.20 -0.32 -3.08 116.97 116.21 1q5r h TYR -37 Ca 0.19 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.12 1q5r h TYR -37 Cb 0.84 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 39.07 1q5r h TYR -37 CO 0.00 0.43 0.49 -0.07 -1.64 0.00 0.00 178.16 177.37 1q5r h LEU -36 N -0.52 0.76 -1.80 2.82 3.38 -0.41 -0.78 115.31 118.78 1q5r h LEU -36 Ca -0.00 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.12 1q5r h LEU -36 Cb 0.48 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1q5r h LEU -36 CO 0.01 0.49 0.57 -0.09 0.09 0.00 0.00 178.44 179.51 1q5r h ARG -35 N 0.90 0.00 0.00 1.13 9.65 -0.85 0.36 114.38 125.58 1q5r h ARG -35 Ca 0.35 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.23 1q5r h ARG -35 Cb 0.15 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.73 1q5r h ARG -35 CO -0.17 0.00 -0.08 0.41 2.80 0.00 0.00 179.97 182.94 1q5r n GLY -34 N -1.50 1.92 0.00 2.80 0.00 -0.38 -4.57 105.19 103.46 1q5r n GLY -34 Ca 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.75 1.61 8.25 -0.70 -4.96 115.22 116.09 1q5r n HIS -33 Ca 0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.41 1q5r n HIS -33 Cb 0.48 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.68 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 -0.32 -0.34 -1.41 0.00 0.11 -5.00 120.51 113.55 1q5r n ALA -32 Ca 0.00 -1.56 0.30 0.00 0.00 0.00 0.00 53.44 52.18 1q5r n ALA -32 Cb 0.00 -1.12 0.63 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 2.87 0.19 -0.68 0.00 0.11 -1.44 -1.09 132.00 131.96 1q5r h PRO -31 Ca -0.11 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 66.16 1q5r h PRO -31 Cb 1.12 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1q5r h PRO -31 CO 0.13 0.13 0.48 1.05 -0.21 0.00 0.00 178.00 179.57 1q5r h GLU -30 N 0.20 0.13 0.00 1.05 9.09 -1.90 -1.24 114.58 121.91 1q5r h GLU -30 Ca 0.61 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 60.02 1q5r h GLU -30 Cb 1.97 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 29.04 1q5r h GLU -30 CO -0.19 0.09 0.00 1.28 0.05 0.00 0.00 179.01 180.24 1q5r n LEU -29 N -4.39 0.61 -4.83 3.06 4.77 -0.41 -4.84 117.00 110.97 1q5r n LEU -29 Ca 0.13 0.58 -0.33 0.00 -0.03 0.00 0.00 56.01 56.37 1q5r n LEU -29 Cb 0.66 -0.42 -0.05 0.00 -2.33 0.00 0.00 43.42 41.28 1q5r n LEU -29 CO 0.36 -0.25 0.67 -0.76 -1.33 0.00 0.00 177.39 176.08 1q5r s LEU -28 N -4.19 3.78 0.14 2.23 1.43 -0.47 -4.98 118.68 116.63 1q5r s LEU -28 Ca 0.09 1.67 -0.14 0.00 -1.03 0.00 0.00 54.13 54.72 1q5r s LEU -28 Cb 0.12 -4.53 0.02 0.00 0.03 0.00 0.00 46.19 41.83 1q5r s LEU -28 CO 0.51 -0.53 1.67 -0.65 0.23 0.00 0.00 176.35 177.59 1q5r h PRO -27 N 1.39 0.72 -1.19 1.29 0.11 -1.88 -2.96 132.00 129.48 1q5r h PRO -27 Ca -0.48 -0.15 0.43 0.00 0.11 0.00 0.00 66.00 65.91 1q5r h PRO -27 Cb 1.19 -0.11 -0.15 0.00 0.11 0.00 0.00 31.00 32.04 1q5r h PRO -27 CO 0.61 0.68 0.72 0.93 -0.21 0.00 0.00 178.00 180.73 1q5r h GLU -26 N 0.62 0.05 -4.40 1.05 5.08 -1.92 -3.33 114.58 111.74 1q5r h GLU -26 Ca 0.15 -0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.78 1q5r h GLU -26 Cb 0.25 -0.01 -0.25 0.00 0.50 0.00 0.00 28.75 29.24 1q5r h GLU -26 CO -0.01 0.04 -0.41 -0.80 -1.00 0.00 0.00 179.01 176.83 1q5r s ASN -25 N -4.48 5.87 0.00 1.42 -0.87 -1.12 -5.00 114.94 110.75 1q5r s ASN -25 Ca -0.08 -1.38 0.00 0.00 -1.57 0.00 0.00 52.86 49.82 1q5r s ASN -25 Cb 0.32 -2.08 0.00 0.00 -0.02 0.00 0.00 41.25 39.47 1q5r s ASN -25 CO 0.80 -0.57 0.00 -1.14 -2.57 0.00 0.00 177.10 173.62 1q5r n ARG -24 N 5.05 0.00 -2.62 -0.60 0.63 -1.25 -4.77 116.66 113.09 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 33.32 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 7.22 0.00 6.15 2.15 -1.26 -4.92 116.67 122.01 1q5r s ASP -6 Ca 0.00 1.66 0.17 0.00 0.43 0.00 0.00 52.55 54.81 1q5r s ASP -6 Cb 0.00 -2.56 0.07 0.00 -0.30 0.00 0.00 42.92 40.13 1q5r s ASP -6 CO 0.00 -0.44 0.96 0.00 -0.17 0.00 0.00 175.17 175.53 1q5r n LEU -5 N 4.73 2.06 -3.64 -1.34 -0.00 -1.26 -4.62 117.00 112.93 1q5r n LEU -5 Ca 0.09 -0.88 -0.16 0.00 -0.00 0.00 0.00 56.01 55.06 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 0.37 0.24 0.00 -0.00 0.00 0.00 177.39 178.53 1q5r s ALA -4 N -1.71 -1.30 0.42 1.47 0.00 -1.26 -5.15 121.76 114.24 1q5r s ALA -4 Ca 0.17 0.89 -0.24 0.00 0.00 0.00 0.00 51.96 52.77 1q5r s ALA -4 Cb 0.14 -0.03 -0.11 0.00 0.00 0.00 0.00 23.12 23.13 1q5r s ALA -4 CO 0.32 -0.31 1.01 -2.30 0.00 0.00 0.00 175.76 174.48 1q5r n PRO -3 N 1.20 1.36 -4.40 0.00 -0.02 -1.26 -4.79 135.00 127.09 1q5r n PRO -3 Ca -0.20 0.49 -0.23 0.00 -2.02 0.00 0.00 63.50 61.54 1q5r n PRO -3 Cb 0.56 -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 -1.27 1.64 0.20 6.00 -3.43 0.79 -1.02 115.29 118.21 1q5r s HIS -2 Ca 0.63 -0.40 -0.08 0.00 -0.80 0.00 0.00 55.06 54.41 1q5r s HIS -2 Cb -0.56 -0.94 -0.07 0.00 -1.43 0.00 0.00 32.58 29.59 1q5r s HIS -2 CO 0.57 0.13 -0.02 0.41 -2.00 0.00 0.00 174.74 173.83 1q5r n GLY -1 N 1.47 -1.31 3.98 -1.38 0.00 1.30 -3.34 105.19 105.92 1q5r n GLY -1 Ca -0.19 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.81 2.45 0.16 2.61 -4.23 -1.26 -4.31 115.64 110.25 1q5r s THR 1 Ca 0.25 -0.67 -0.30 0.00 -1.18 0.00 0.00 61.69 59.80 1q5r s THR 1 Cb -0.24 -2.79 -0.07 0.00 1.34 0.00 0.00 72.50 70.74 1q5r s THR 1 CO 0.28 0.00 1.00 -0.89 -0.54 0.00 0.00 174.62 174.47 1q5r s THR 2 N -2.88 4.20 -0.03 3.99 2.01 -1.26 -4.43 115.64 117.24 1q5r s THR 2 Ca 0.61 1.92 0.01 0.00 0.31 0.00 0.00 61.69 64.54 1q5r s THR 2 Cb -0.08 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.21 1q5r s THR 2 CO 0.40 0.34 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.99 1q5r s ILE 3 N -0.31 0.54 0.03 1.82 1.01 0.48 -1.09 121.20 123.67 1q5r s ILE 3 Ca 0.47 -0.18 0.07 0.00 0.00 0.00 0.00 60.65 61.00 1q5r s ILE 3 Cb -0.26 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.66 1q5r s ILE 3 CO 0.32 0.20 -0.20 -0.69 0.00 0.00 0.00 174.94 174.57 1q5r s VAL 4 N 0.51 2.66 -0.07 2.92 1.01 0.29 -1.36 120.40 126.35 1q5r s VAL 4 Ca -0.07 -1.19 0.01 0.00 0.00 0.00 0.00 61.98 60.73 1q5r s VAL 4 Cb -0.10 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.20 1q5r s VAL 4 CO 0.00 0.37 -0.08 0.00 0.00 0.00 0.00 175.10 175.39 1q5r s ALA 5 N -0.88 1.10 0.06 5.51 0.00 0.84 -1.01 121.76 127.38 1q5r s ALA 5 Ca 0.14 -0.34 0.08 0.00 0.00 0.00 0.00 51.96 51.83 1q5r s ALA 5 Cb -0.10 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 1q5r s ALA 5 CO 0.04 -0.10 -0.22 -0.51 0.00 0.00 0.00 175.76 174.97 1q5r s LEU 6 N 1.10 2.19 -0.07 0.00 1.02 -0.91 -1.03 118.68 120.99 1q5r s LEU 6 Ca -0.07 -0.57 -0.03 0.00 0.02 0.00 0.00 54.13 53.48 1q5r s LEU 6 Cb -0.14 -1.04 -0.04 0.00 0.02 0.00 0.00 46.19 44.99 1q5r s LEU 6 CO -0.01 0.17 0.07 0.28 0.02 0.00 0.00 176.35 176.88 1q5r s THR 7 N -0.86 4.83 0.32 5.49 -1.32 0.13 -1.09 115.64 123.15 1q5r s THR 7 Ca 0.09 -0.17 -0.14 0.00 -1.21 0.00 0.00 61.69 60.26 1q5r s THR 7 Cb -0.09 -3.12 0.02 0.00 -1.51 0.00 0.00 72.50 67.80 1q5r s THR 7 CO 0.02 0.52 0.65 -0.72 -2.21 0.00 0.00 174.62 172.88 1q5r s TYR 8 N -1.04 0.25 0.00 9.09 -0.85 -0.46 -4.75 117.35 119.59 1q5r s TYR 8 Ca 0.17 -0.73 0.00 0.00 -0.52 0.00 0.00 57.07 55.99 1q5r s TYR 8 Cb -0.12 0.51 0.00 0.00 0.38 0.00 0.00 41.96 42.74 1q5r s TYR 8 CO 0.07 -1.29 0.42 1.17 -1.52 0.00 0.00 175.55 174.40 1q5r n LYS 9 N -0.49 0.00 0.00 -3.49 3.00 -1.12 -3.27 118.16 112.80 1q5r n LYS 9 Ca -0.04 0.42 0.00 0.00 -0.00 0.00 0.00 58.31 58.69 1q5r n LYS 9 Cb 0.60 -0.70 0.00 0.00 0.00 0.00 0.00 35.03 34.93 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 -0.89 -2.85 0.00 3.14 0.00 -1.26 -4.46 105.19 98.86 1q5r n GLY 10 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.51 3.93 3.29 -0.02 0.00 -1.20 -4.67 105.19 106.00 1q5r n GLY 11 Ca 0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 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 3.80 0.52 0.09 1.61 -7.23 -0.55 -1.35 120.40 117.30 1q5r s VAL 12 Ca 0.00 -1.99 -0.09 0.00 -1.81 0.00 0.00 61.98 58.08 1q5r s VAL 12 Cb 0.00 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.43 1q5r s VAL 12 CO 0.00 -0.10 0.21 -1.48 -0.31 0.00 0.00 175.10 173.41 1q5r s LEU 13 N -3.27 1.34 -0.03 1.32 0.05 -0.25 -0.68 118.68 117.17 1q5r s LEU 13 Ca 0.35 -0.62 0.03 0.00 0.05 0.00 0.00 54.13 53.93 1q5r s LEU 13 Cb 0.07 1.10 0.00 0.00 -2.05 0.00 0.00 46.19 45.32 1q5r s LEU 13 CO 0.11 -0.74 -0.10 -0.76 -0.55 0.00 0.00 176.35 174.31 1q5r s LEU 14 N -2.86 1.80 -0.03 1.48 1.43 0.36 -2.15 118.68 118.72 1q5r s LEU 14 Ca 0.05 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 1q5r s LEU 14 Cb 0.05 -0.63 0.01 0.00 0.03 0.00 0.00 46.19 45.65 1q5r s LEU 14 CO -0.11 0.08 -0.07 0.00 0.23 0.00 0.00 176.35 176.48 1q5r s ALA 15 N 0.18 0.73 0.10 4.21 0.00 -0.18 -0.55 121.76 126.26 1q5r s ALA 15 Ca -0.03 -0.20 0.06 0.00 0.00 0.00 0.00 51.96 51.78 1q5r s ALA 15 Cb -0.09 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1q5r s ALA 15 CO 0.01 0.08 -0.14 0.20 0.00 0.00 0.00 175.76 175.90 1q5r s GLY 16 N 0.44 0.99 0.84 0.00 0.00 0.16 -0.55 107.32 109.20 1q5r s GLY 16 Ca -0.06 -1.17 -0.14 0.00 0.00 0.00 0.00 44.72 43.35 1q5r s GLY 16 CO 0.00 -1.21 0.84 1.34 0.00 0.00 0.00 173.10 174.07 1q5r n ASP 17 N 0.87 -1.27 0.00 1.64 4.64 -0.25 -1.12 116.55 121.05 1q5r n ASP 17 Ca -0.18 -1.09 0.00 0.00 -1.38 0.00 0.00 54.79 52.14 1q5r n ASP 17 Cb 0.56 -0.73 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 -3.67 -0.07 -2.92 -0.67 5.12 -1.26 -4.39 116.66 108.80 1q5r n ARG 18 Ca 0.11 -0.50 -0.42 0.00 -1.93 0.00 0.00 57.85 55.11 1q5r n ARG 18 Cb 0.42 -0.82 -0.05 0.00 -1.16 0.00 0.00 32.46 30.86 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 -0.14 3.92 -0.20 5.56 6.06 -1.26 -1.94 118.95 130.95 1q5r s ARG 19 Ca 0.00 0.57 -0.03 0.00 -2.50 0.00 0.00 55.73 53.77 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 -0.75 -0.07 0.00 -2.50 0.00 0.00 175.30 171.99 1q5r s ALA 20 N 3.07 2.77 0.10 6.12 0.00 0.02 -4.42 121.76 129.42 1q5r s ALA 20 Ca 0.33 -1.10 0.08 0.00 0.00 0.00 0.00 51.96 51.28 1q5r s ALA 20 Cb -0.14 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 1q5r s ALA 20 CO 0.14 -0.26 -0.16 -0.08 0.00 0.00 0.00 175.76 175.40 1q5r s THR 21 N 1.20 2.98 -0.31 0.00 -1.32 -1.21 0.84 115.64 117.81 1q5r s THR 21 Ca 0.02 -1.40 -0.02 0.00 -1.21 0.00 0.00 61.69 59.08 1q5r s THR 21 Cb -0.14 -2.36 0.11 0.00 -1.51 0.00 0.00 72.50 68.59 1q5r s THR 21 CO -0.02 0.13 0.14 -1.58 -2.21 0.00 0.00 174.62 171.08 1q5r s GLN 22 N -2.07 0.43 4.33 7.08 0.74 0.01 -0.15 119.66 130.04 1q5r s GLN 22 Ca 0.18 -0.87 0.00 0.00 0.05 0.00 0.00 55.36 54.73 1q5r s GLN 22 Cb -0.11 -1.45 0.00 0.00 1.10 0.00 0.00 33.01 32.55 1q5r s GLN 22 CO 0.10 -1.05 0.00 0.41 -0.55 0.00 0.00 175.29 174.21 1q5r n GLY 23 N 4.88 0.46 0.92 2.59 0.00 -1.26 -2.70 105.19 110.07 1q5r n GLY 23 Ca -0.01 -0.90 0.11 0.00 0.00 0.00 0.00 46.02 45.21 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 4.96 2.93 -4.85 1.61 6.94 -1.26 -4.95 115.26 120.64 1q5r n ASN 24 Ca 0.00 -1.94 -0.33 0.00 -0.02 0.00 0.00 54.58 52.29 1q5r n ASN 24 Cb 0.00 -0.03 -0.06 0.00 -2.36 0.00 0.00 39.78 37.33 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 -1.82 4.10 -0.24 -4.53 1.43 -1.10 -5.03 118.68 111.48 1q5r s LEU 25 Ca 0.27 1.23 -0.19 0.00 -1.03 0.00 0.00 54.13 54.42 1q5r s LEU 25 Cb 0.19 -3.99 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 1q5r s LEU 25 CO 0.28 -0.17 0.55 -0.63 0.23 0.00 0.00 176.35 176.61 1q5r s ILE 26 N -1.93 5.06 -0.12 -0.59 1.01 -1.26 -0.81 121.20 122.55 1q5r s ILE 26 Ca 0.52 0.97 0.06 0.00 0.00 0.00 0.00 60.65 62.20 1q5r s ILE 26 Cb -0.11 -3.86 -0.24 0.00 0.01 0.00 0.00 42.46 38.27 1q5r s ILE 26 CO 0.18 0.10 0.35 0.00 0.00 0.00 0.00 174.94 175.56 1q5r n ALA 27 N 5.37 1.29 -3.32 9.38 0.00 0.25 -4.91 120.51 128.56 1q5r n ALA 27 Ca -0.03 -0.85 -0.15 0.00 0.00 0.00 0.00 53.44 52.41 1q5r n ALA 27 Cb 0.50 -0.58 -0.08 0.00 0.00 0.00 0.00 19.45 19.28 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 -6.36 -0.34 -0.03 0.00 0.15 -0.75 -4.97 113.70 101.39 1q5r s SER 28 Ca -0.15 0.32 0.04 0.00 0.70 0.00 0.00 55.95 56.86 1q5r s SER 28 Cb 0.07 0.42 0.07 0.00 -1.71 0.00 0.00 66.02 64.87 1q5r s SER 28 CO 0.78 -0.47 0.95 -1.14 1.20 0.00 0.00 173.24 174.55 1q5r n ARG 29 N 1.29 1.80 -2.64 5.44 0.63 -1.25 -0.80 116.66 121.14 1q5r n ARG 29 Ca -0.20 -1.53 -0.02 0.00 -0.92 0.00 0.00 57.85 55.17 1q5r n ARG 29 Cb 0.56 -0.99 0.05 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 -0.59 1.88 -4.70 6.15 3.85 -1.12 -4.69 116.55 117.34 1q5r n ASP 30 Ca 0.04 -2.22 -0.42 0.00 -0.71 0.00 0.00 54.79 51.48 1q5r n ASP 30 Cb 0.43 -0.45 -0.03 0.00 -1.35 0.00 0.00 41.12 39.71 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 -3.62 4.42 -0.49 2.12 1.01 -0.82 -4.99 120.40 118.04 1q5r s VAL 31 Ca 0.30 1.73 -0.20 0.00 0.00 0.00 0.00 61.98 63.81 1q5r s VAL 31 Cb 0.33 -4.11 0.05 0.00 0.00 0.00 0.00 36.38 32.65 1q5r s VAL 31 CO -0.04 0.06 0.65 -0.70 0.00 0.00 0.00 175.10 175.07 1q5r s GLU 32 N 1.65 3.18 0.01 2.72 2.12 -1.26 -4.29 118.70 122.81 1q5r s GLU 32 Ca 0.54 -0.70 0.23 0.00 0.36 0.00 0.00 54.97 55.41 1q5r s GLU 32 Cb -0.24 -4.05 0.17 0.00 0.26 0.00 0.00 34.13 30.27 1q5r s GLU 32 CO 0.24 -1.17 1.17 0.00 -0.54 0.00 0.00 175.26 174.96 1q5r n ALA 33 N 6.27 4.00 -2.87 6.30 0.00 -1.26 -4.88 120.51 128.08 1q5r n ALA 33 Ca -0.05 -0.45 -0.34 0.00 0.00 0.00 0.00 53.44 52.60 1q5r n ALA 33 Cb 0.46 -0.97 -0.12 0.00 0.00 0.00 0.00 19.45 18.83 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 -3.02 3.96 0.08 0.00 -7.23 -1.26 -3.18 120.40 109.74 1q5r s VAL 34 Ca 0.09 -0.34 0.07 0.00 -1.81 0.00 0.00 61.98 59.98 1q5r s VAL 34 Cb 0.17 -2.72 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 1q5r s VAL 34 CO 0.78 0.52 -0.18 -0.31 -0.31 0.00 0.00 175.10 175.60 1q5r s TYR 35 N 0.08 1.51 -0.48 2.82 1.51 -0.67 -4.99 117.35 117.13 1q5r s TYR 35 Ca -0.00 -0.42 -0.23 0.00 -1.01 0.00 0.00 57.07 55.41 1q5r s TYR 35 Cb -0.13 -0.85 0.03 0.00 -0.11 0.00 0.00 41.96 40.90 1q5r s TYR 35 CO 0.03 0.12 0.81 0.08 -1.11 0.00 0.00 175.55 175.47 1q5r s VAL 36 N -1.12 4.61 -0.04 0.71 1.01 -1.26 -1.51 120.40 122.80 1q5r s VAL 36 Ca 0.03 0.33 0.12 0.00 0.00 0.00 0.00 61.98 62.46 1q5r s VAL 36 Cb -0.10 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 1q5r s VAL 36 CO 0.03 -0.81 1.40 0.71 0.00 0.00 0.00 175.10 176.43 1q5r h THR 37 N 5.98 1.19 -1.44 3.92 1.35 -1.53 -3.48 112.91 118.90 1q5r h THR 37 Ca -0.25 -2.63 0.17 0.00 -0.55 0.00 0.00 66.41 63.14 1q5r h THR 37 Cb 1.08 2.56 -0.23 0.00 -1.73 0.00 0.00 68.15 69.83 1q5r h THR 37 CO 0.99 0.67 0.72 -0.62 -0.25 0.00 0.00 175.52 177.03 1q5r s ASP 38 N -6.56 -0.22 0.04 5.36 2.15 -0.71 -4.64 116.67 112.09 1q5r s ASP 38 Ca 0.03 0.18 -0.00 0.00 0.43 0.00 0.00 52.55 53.19 1q5r s ASP 38 Cb 0.09 0.19 0.09 0.00 -0.30 0.00 0.00 42.92 42.99 1q5r s ASP 38 CO 0.77 -0.24 0.22 1.21 -0.17 0.00 0.00 175.17 176.95 1q5r n GLU 39 N 0.43 -0.01 -2.19 4.34 4.07 -1.26 -0.57 120.64 125.45 1q5r n GLU 39 Ca -0.05 0.21 -0.23 0.00 -0.06 0.00 0.00 57.16 57.03 1q5r n GLU 39 Cb 0.59 -0.33 0.02 0.00 -0.06 0.00 0.00 31.44 31.65 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 -4.04 2.80 -3.63 4.31 4.02 -1.26 -1.10 117.16 118.27 1q5r n TYR 40 Ca 0.03 -2.45 -0.06 0.00 -0.01 0.00 0.00 57.90 55.40 1q5r n TYR 40 Cb 0.09 -0.27 -0.06 0.00 -0.02 0.00 0.00 39.34 39.08 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 -3.59 -0.26 0.15 7.72 1.04 0.27 -1.60 113.70 117.44 1q5r s SER 41 Ca 0.48 0.45 -0.01 0.00 0.48 0.00 0.00 55.95 57.36 1q5r s SER 41 Cb 0.40 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.92 1q5r s SER 41 CO -0.02 -0.12 0.06 0.00 0.98 0.00 0.00 173.24 174.14 1q5r s ALA 42 N -0.16 1.03 -0.04 5.32 0.00 -0.38 -1.31 121.76 126.22 1q5r s ALA 42 Ca 0.05 -1.55 -0.22 0.00 0.00 0.00 0.00 51.96 50.24 1q5r s ALA 42 Cb -0.04 0.93 0.04 0.00 0.00 0.00 0.00 23.12 24.05 1q5r s ALA 42 CO -0.09 -0.48 0.47 0.00 0.00 0.00 0.00 175.76 175.67 1q5r s ALA 43 N -4.00 -1.22 0.12 0.00 0.00 -0.57 -0.91 121.76 115.18 1q5r s ALA 43 Ca 0.27 0.80 0.09 0.00 0.00 0.00 0.00 51.96 53.12 1q5r s ALA 43 Cb 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 1q5r s ALA 43 CO 0.04 -0.30 -0.19 0.20 0.00 0.00 0.00 175.76 175.51 1q5r s GLY 44 N -1.18 1.68 -0.05 0.00 0.00 -0.36 -1.67 107.32 105.74 1q5r s GLY 44 Ca -0.12 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.24 1q5r s GLY 44 CO 0.06 -1.35 -0.04 -0.42 0.00 0.00 0.00 173.10 171.36 1q5r s ILE 45 N -1.14 0.53 0.02 0.90 1.01 -1.19 -0.32 121.20 121.00 1q5r s ILE 45 Ca 0.18 -0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.78 1q5r s ILE 45 Cb -0.10 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.75 1q5r s ILE 45 CO 0.10 0.24 -0.03 0.00 0.00 0.00 0.00 174.94 175.25 1q5r s ALA 46 N 1.18 3.18 0.00 9.38 0.00 -0.43 -4.48 121.76 130.59 1q5r s ALA 46 Ca -0.07 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1q5r s ALA 46 Cb -0.14 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.77 1q5r s ALA 46 CO -0.01 0.65 0.00 0.41 0.00 0.00 0.00 175.76 176.80 1q5r n GLY 47 N 1.24 0.73 3.46 0.00 0.00 -1.26 -0.36 105.19 109.00 1q5r n GLY 47 Ca -0.14 -2.10 -0.46 0.00 0.00 0.00 0.00 46.02 43.32 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 3.89 0.06 -0.35 2.61 -1.04 -0.97 0.40 114.28 118.87 1q5r n THR 48 Ca 0.00 -0.28 -0.08 0.00 -2.04 0.00 0.00 64.05 61.65 1q5r n THR 48 Cb 0.00 -1.46 -0.05 0.00 -1.82 0.00 0.00 70.33 67.00 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 13.44 -0.34 -0.39 2.41 0.00 -1.38 -0.14 119.26 132.86 1q5r h ALA 49 Ca -0.19 0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1q5r h ALA 49 Cb 1.32 1.19 -0.09 0.00 0.00 0.00 0.00 17.79 20.21 1q5r h ALA 49 CO 1.15 -0.86 -0.46 0.78 0.00 0.00 0.00 179.25 179.87 1q5r h GLY 50 N -0.08 -0.67 0.62 0.00 0.00 -1.87 0.18 103.07 101.26 1q5r h GLY 50 Ca 0.21 0.58 0.04 0.00 0.00 0.00 0.00 47.33 48.16 1q5r h GLY 50 CO -0.88 -0.17 0.01 -2.22 0.00 0.00 0.00 176.54 173.28 1q5r h ILE 51 N -0.36 0.83 -0.37 2.60 1.08 -1.69 -2.64 117.51 116.96 1q5r h ILE 51 Ca 0.12 -0.03 0.08 0.00 -0.39 0.00 0.00 64.86 64.64 1q5r h ILE 51 Cb 0.59 0.73 -0.07 0.00 -3.07 0.00 0.00 36.82 35.00 1q5r h ILE 51 CO -0.57 0.02 -0.11 0.00 -0.69 0.00 0.00 178.15 176.80 1q5r h ALA 52 N 1.22 0.22 0.36 1.87 0.00 -0.12 -0.37 119.26 122.43 1q5r h ALA 52 Ca 0.12 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1q5r h ALA 52 Cb 0.15 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1q5r h ALA 52 CO -0.20 -0.47 -0.41 0.82 0.00 0.00 0.00 179.25 178.99 1q5r h ILE 53 N -0.02 0.17 -0.45 0.00 2.04 -0.77 -1.04 117.51 117.44 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 0.30 0.17 -0.08 0.00 -0.74 0.00 0.00 36.82 36.47 1q5r h ILE 53 CO -0.39 0.00 -0.03 -0.08 0.00 0.00 0.00 178.15 177.65 1q5r h GLU 54 N -0.81 0.08 -0.22 2.37 4.81 -1.18 -2.09 114.58 117.54 1q5r h GLU 54 Ca -0.03 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1q5r h GLU 54 Cb 0.73 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 1q5r h GLU 54 CO -0.09 0.05 -0.06 1.25 -0.73 0.00 0.00 179.01 179.43 1q5r h LEU 55 N 0.08 -0.23 -0.93 1.64 5.85 -0.69 -1.72 115.31 119.31 1q5r h LEU 55 Ca 0.23 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 1q5r h LEU 55 Cb 0.34 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1q5r h LEU 55 CO -0.40 -0.08 0.33 1.62 -0.34 0.00 0.00 178.44 179.57 1q5r h VAL 56 N -0.01 1.25 0.56 1.05 3.04 -0.82 -1.69 116.25 119.62 1q5r h VAL 56 Ca 0.11 -0.74 -0.02 0.00 -1.01 0.00 0.00 66.70 65.04 1q5r h VAL 56 Cb 0.18 0.32 -0.01 0.00 -2.01 0.00 0.00 31.29 29.77 1q5r h VAL 56 CO -0.23 0.31 -0.36 -0.09 -1.01 0.00 0.00 177.57 176.18 1q5r h ARG 57 N 1.08 -0.85 -0.53 4.17 2.43 -1.02 -0.98 114.38 118.68 1q5r h ARG 57 Ca 0.26 0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.59 1q5r h ARG 57 Cb 0.16 0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 29.82 1q5r h ARG 57 CO -0.03 -0.56 0.02 1.25 -1.51 0.00 0.00 179.97 179.14 1q5r h LEU 58 N -0.88 -0.18 -0.82 3.80 5.85 -1.23 -1.08 115.31 120.78 1q5r h LEU 58 Ca -0.07 0.12 0.12 0.00 0.84 0.00 0.00 57.88 58.90 1q5r h LEU 58 Cb 0.72 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.87 1q5r h LEU 58 CO 0.05 -0.06 0.43 0.15 -0.34 0.00 0.00 178.44 178.67 1q5r h PHE 59 N 0.14 0.76 0.87 1.25 3.57 -0.87 0.34 116.94 123.01 1q5r h PHE 59 Ca 0.27 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 1q5r h PHE 59 Cb 0.41 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 38.94 1q5r h PHE 59 CO -0.30 0.23 -0.42 0.00 -2.23 0.00 0.00 178.31 175.59 1q5r h ALA 60 N 1.51 -1.17 -0.81 2.41 0.00 0.01 -2.03 119.26 119.17 1q5r h ALA 60 Ca 0.42 -0.26 0.18 0.00 0.00 0.00 0.00 54.91 55.26 1q5r h ALA 60 Cb 0.52 0.45 -0.12 0.00 0.00 0.00 0.00 17.79 18.65 1q5r h ALA 60 CO -0.32 -1.11 0.27 0.28 0.00 0.00 0.00 179.25 178.38 1q5r h VAL 61 N -1.28 0.51 -0.32 0.00 2.07 -0.73 -0.09 116.25 116.41 1q5r h VAL 61 Ca -0.12 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.35 1q5r h VAL 61 Cb 0.90 0.14 -0.08 0.00 -1.52 0.00 0.00 31.29 30.73 1q5r h VAL 61 CO 0.20 0.06 -0.38 -0.33 0.02 0.00 0.00 177.57 177.14 1q5r h GLU 62 N 0.34 -0.33 0.42 1.57 4.39 -0.01 0.67 114.58 121.63 1q5r h GLU 62 Ca 0.48 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.18 1q5r h GLU 62 Cb 0.84 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1q5r h GLU 62 CO -0.51 -0.22 -0.20 -0.07 -1.16 0.00 0.00 179.01 176.84 1q5r h LEU 63 N -0.34 -0.48 -0.74 1.33 3.38 -0.36 -2.57 115.31 115.53 1q5r h LEU 63 Ca 0.13 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.13 1q5r h LEU 63 Cb 0.57 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 1q5r h LEU 63 CO -0.50 -0.29 0.44 -0.08 0.09 0.00 0.00 178.44 178.10 1q5r h GLU 64 N -0.63 0.80 -0.53 1.13 4.81 -0.81 -2.31 114.58 117.04 1q5r h GLU 64 Ca -0.06 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1q5r h GLU 64 Cb 0.47 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1q5r h GLU 64 CO 0.10 0.53 0.26 1.25 -0.73 0.00 0.00 179.01 180.41 1q5r h HIS 65 N 0.83 0.77 -0.97 0.92 2.76 -0.88 -0.86 115.15 117.72 1q5r h HIS 65 Ca 0.32 -0.04 0.11 0.00 -2.20 0.00 0.00 60.37 58.56 1q5r h HIS 65 Cb 0.13 -0.24 -0.08 0.00 1.55 0.00 0.00 27.41 28.77 1q5r h HIS 65 CO -0.05 0.60 0.61 -0.92 -1.30 0.00 0.00 177.93 176.86 1q5r h TYR 66 N 0.71 1.10 0.40 5.26 3.20 -0.99 -0.13 116.97 126.52 1q5r h TYR 66 Ca 0.18 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1q5r h TYR 66 Cb 0.12 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.04 1q5r h TYR 66 CO -0.00 0.45 -0.19 1.49 -1.64 0.00 0.00 178.16 178.27 1q5r h GLU 67 N 0.98 -0.51 -0.20 1.82 4.81 -1.07 0.11 114.58 120.52 1q5r h GLU 67 Ca 0.47 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.80 1q5r h GLU 67 Cb 0.43 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1q5r h GLU 67 CO -0.25 -0.20 0.34 0.87 -0.73 0.00 0.00 179.01 179.04 1q5r h LYS 68 N -0.94 0.00 0.00 1.92 1.57 -0.77 0.83 116.57 119.19 1q5r h LYS 68 Ca -0.05 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1q5r h LYS 68 Cb 0.55 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1q5r h LYS 68 CO 0.09 0.00 -0.43 0.82 -0.57 0.00 0.00 179.45 179.36 1q5r h ILE 69 N 0.00 0.11 0.00 1.86 1.08 -0.73 -3.38 117.51 116.45 1q5r h ILE 69 Ca 0.10 -1.12 0.00 0.00 -0.39 0.00 0.00 64.86 63.44 1q5r h ILE 69 Cb 0.79 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 34.79 1q5r h ILE 69 CO -0.00 0.04 0.00 -0.62 -0.69 0.00 0.00 178.15 176.88 1q5r n GLU 70 N -4.64 0.08 -0.86 2.37 -0.58 0.36 -4.89 120.64 112.48 1q5r n GLU 70 Ca -0.07 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1q5r n GLU 70 Cb 0.24 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 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 0.74 0.68 3.13 0.62 0.00 0.29 -4.97 105.19 105.68 1q5r n GLY 71 Ca 0.05 0.00 -0.13 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 -3.02 0.74 0.61 1.61 1.01 -1.23 -4.99 120.40 115.12 1q5r s VAL 72 Ca 0.00 -1.49 -0.05 0.00 0.00 0.00 0.00 61.98 60.44 1q5r s VAL 72 Cb 0.00 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.26 1q5r s VAL 72 CO 0.00 -0.56 0.90 -2.16 0.00 0.00 0.00 175.10 173.29 1q5r s PRO 73 N -2.55 2.72 0.48 2.72 0.04 -1.26 -3.76 135.00 133.39 1q5r s PRO 73 Ca 0.01 -0.16 -0.18 0.00 0.04 0.00 0.00 61.00 60.71 1q5r s PRO 73 Cb -0.04 -2.28 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 1q5r s PRO 73 CO -0.01 -0.81 0.96 -0.51 0.04 0.00 0.00 177.00 176.68 1q5r s LEU 74 N -5.01 3.76 0.78 -3.56 1.43 -1.26 -5.01 118.68 109.81 1q5r s LEU 74 Ca 0.55 1.60 -0.13 0.00 -1.03 0.00 0.00 54.13 55.13 1q5r s LEU 74 Cb -0.11 -4.50 0.07 0.00 0.03 0.00 0.00 46.19 41.68 1q5r s LEU 74 CO 0.44 -0.49 1.15 -0.89 0.23 0.00 0.00 176.35 176.79 1q5r s THR 75 N -2.44 2.62 0.11 5.49 2.01 -1.26 -4.73 115.64 117.44 1q5r s THR 75 Ca 0.60 0.25 -0.22 0.00 0.31 0.00 0.00 61.69 62.63 1q5r s THR 75 Cb -0.10 -2.64 -0.09 0.00 0.01 0.00 0.00 72.50 69.69 1q5r s THR 75 CO 0.24 -0.22 1.71 0.15 -0.69 0.00 0.00 174.62 175.82 1q5r h PHE 76 N -0.87 -0.11 -1.00 4.92 3.57 -1.95 0.13 116.94 121.63 1q5r h PHE 76 Ca -0.45 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.15 1q5r h PHE 76 Cb 1.27 0.06 -0.08 0.00 2.79 0.00 0.00 35.95 39.99 1q5r h PHE 76 CO 0.52 -0.07 0.63 -0.44 -2.23 0.00 0.00 178.31 176.72 1q5r h ASP 77 N -0.05 0.97 -0.40 0.41 5.19 -1.99 0.17 116.42 120.72 1q5r h ASP 77 Ca 0.05 0.03 0.03 0.00 -0.62 0.00 0.00 57.03 56.52 1q5r h ASP 77 Cb 0.11 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 39.42 1q5r h ASP 77 CO -0.10 0.56 0.20 1.23 -3.12 0.00 0.00 179.24 178.01 1q5r h GLY 78 N 1.07 0.55 1.14 2.75 0.00 -1.52 0.19 103.07 107.24 1q5r h GLY 78 Ca 0.47 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1q5r h GLY 78 CO -0.22 0.11 0.54 0.50 0.00 0.00 0.00 176.54 177.46 1q5r h LYS 79 N 0.41 1.14 -0.22 4.80 1.57 0.18 -1.77 116.57 122.69 1q5r h LYS 79 Ca 0.17 -0.09 -0.15 0.00 -1.87 0.00 0.00 60.65 58.72 1q5r h LYS 79 Cb 0.07 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1q5r h LYS 79 CO -0.12 0.78 -0.47 0.00 -0.57 0.00 0.00 179.45 179.08 1q5r h ALA 80 N 1.42 0.78 0.00 3.86 0.00 0.09 -2.38 119.26 123.03 1q5r h ALA 80 Ca 0.31 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1q5r h ALA 80 Cb -0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1q5r h ALA 80 CO -0.06 0.66 -0.30 -0.97 0.00 0.00 0.00 179.25 178.58 1q5r h ASN 81 N 0.45 0.00 -0.07 0.00 -0.00 -0.06 -2.25 115.58 113.65 1q5r h ASN 81 Ca 0.03 0.00 -0.12 0.00 -0.00 0.00 0.00 56.30 56.21 1q5r h ASN 81 Cb 0.99 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 39.31 1q5r h ASN 81 CO 0.09 0.30 -0.42 0.03 -0.00 0.00 0.00 177.43 177.43 1q5r h ARG 82 N 0.00 0.41 -0.90 6.67 2.47 -1.09 -2.66 114.38 119.29 1q5r h ARG 82 Ca -0.00 -0.35 0.08 0.00 -1.26 0.00 0.00 59.98 58.45 1q5r h ARG 82 Cb 0.61 0.08 -0.06 0.00 -1.65 0.00 0.00 29.97 28.94 1q5r h ARG 82 CO 0.04 0.99 0.58 1.25 0.56 0.00 0.00 179.97 183.39 1q5r h LEU 83 N -0.06 0.87 0.72 3.04 6.46 -1.16 -1.29 115.31 123.89 1q5r h LEU 83 Ca -0.03 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.71 1q5r h LEU 83 Cb 1.08 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.84 1q5r h LEU 83 CO 0.09 0.54 -0.41 0.00 -0.62 0.00 0.00 178.44 178.04 1q5r h ALA 84 N 1.53 -1.07 -0.98 1.25 0.00 -1.37 0.17 119.26 118.79 1q5r h ALA 84 Ca 0.40 -0.22 0.34 0.00 0.00 0.00 0.00 54.91 55.43 1q5r h ALA 84 Cb 0.27 0.48 -0.17 0.00 0.00 0.00 0.00 17.79 18.37 1q5r h ALA 84 CO -0.16 -1.11 0.40 0.77 0.00 0.00 0.00 179.25 179.15 1q5r h SER 85 N -1.05 0.16 -0.04 0.00 0.02 -0.90 0.29 113.55 112.03 1q5r h SER 85 Ca -0.09 0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 1q5r h SER 85 Cb 0.83 0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1q5r h SER 85 CO 0.12 -0.32 -0.16 0.24 -1.14 0.00 0.00 176.83 175.57 1q5r h MET 86 N 0.10 0.17 -0.33 3.45 2.07 -0.75 -2.84 114.93 116.80 1q5r h MET 86 Ca 0.73 -0.14 0.05 0.00 -2.07 0.00 0.00 59.70 58.28 1q5r h MET 86 Cb 1.76 0.03 -0.04 0.00 -1.87 0.00 0.00 31.60 31.48 1q5r h MET 86 CO -0.75 0.78 0.06 0.28 1.07 0.00 0.00 176.91 178.35 1q5r h VAL 87 N -0.40 0.83 -0.60 -2.22 2.07 0.13 -0.14 116.25 115.91 1q5r h VAL 87 Ca -0.01 -0.06 0.17 0.00 0.82 0.00 0.00 66.70 67.63 1q5r h VAL 87 Cb 0.81 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1q5r h VAL 87 CO 0.03 0.03 0.55 -0.09 0.02 0.00 0.00 177.57 178.11 1q5r h ARG 88 N 0.17 0.00 0.00 1.57 2.43 -0.58 0.29 114.38 118.26 1q5r h ARG 88 Ca 0.16 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.20 1q5r h ARG 88 Cb 0.18 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1q5r h ARG 88 CO -0.21 0.00 -0.61 0.78 -1.51 0.00 0.00 179.97 178.42 1q5r h GLY 89 N 0.00 0.00 1.11 2.80 0.00 -0.76 -3.09 103.07 103.13 1q5r h GLY 89 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1q5r h GLY 89 CO -0.00 0.00 -0.03 -2.01 0.00 0.00 0.00 176.54 174.50 1q5r n ASN 90 N -3.44 0.21 -0.35 0.19 5.15 0.10 -3.62 115.26 113.50 1q5r n ASN 90 Ca 0.00 -0.59 0.35 0.00 -0.60 0.00 0.00 54.58 53.74 1q5r n ASN 90 Cb 0.70 -0.12 0.72 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 0.28 0.08 -0.13 1.20 7.12 -1.44 0.23 115.31 122.65 1q5r h LEU 91 Ca 0.00 0.02 -0.05 0.00 0.13 0.00 0.00 57.88 57.98 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 0.00 -0.13 1.23 -0.13 0.00 0.00 178.44 179.42 1q5r h GLY 92 N 0.06 0.34 2.00 3.75 0.00 -1.85 -2.14 103.07 105.23 1q5r h GLY 92 Ca 0.61 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.54 1q5r h GLY 92 CO -0.07 0.32 -0.20 0.00 0.00 0.00 0.00 176.54 176.58 1q5r h ALA 93 N 0.60 1.14 -0.02 3.60 0.00 -0.96 -2.83 119.26 120.79 1q5r h ALA 93 Ca 0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1q5r h ALA 93 Cb 0.65 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1q5r h ALA 93 CO 0.03 0.26 -0.01 0.00 0.00 0.00 0.00 179.25 179.53 1q5r h ALA 94 N 1.80 0.03 0.00 0.00 0.00 -0.75 0.62 119.26 120.96 1q5r h ALA 94 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1q5r h ALA 94 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1q5r h ALA 94 CO 0.03 -0.27 0.00 -1.33 0.00 0.00 0.00 179.25 177.68 1q5r n MET 95 N -4.87 0.02 -0.61 0.00 2.81 -0.82 -1.30 117.12 112.35 1q5r n MET 95 Ca -0.08 0.37 0.08 0.00 -1.81 0.00 0.00 57.70 56.26 1q5r n MET 95 Cb 0.21 -1.55 0.32 0.00 -0.71 0.00 0.00 33.22 31.49 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 -1.60 3.75 -0.34 0.03 6.02 -1.04 -4.93 117.38 119.26 1q5r n GLN 96 Ca 0.02 -2.91 0.00 0.00 -0.01 0.00 0.00 57.00 54.10 1q5r n GLN 96 Cb 0.11 -1.96 0.00 0.00 1.02 0.00 0.00 30.24 29.41 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 0.20 0.90 2.27 1.08 0.00 -0.42 -4.94 105.19 104.29 1q5r n GLY 97 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 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 6.93 -4.79 0.99 4.32 0.21 -4.89 117.00 119.77 1q5r n LEU 98 Ca 0.00 -4.44 -0.32 0.00 -0.02 0.00 0.00 56.01 51.22 1q5r n LEU 98 Cb 0.00 -0.81 0.04 0.00 -1.62 0.00 0.00 43.42 41.03 1q5r n LEU 98 CO 0.00 1.66 0.72 0.00 -1.22 0.00 0.00 177.39 178.55 1q5r s ALA 99 N -3.77 2.62 -0.13 -1.18 0.00 -1.22 -4.15 121.76 113.92 1q5r s ALA 99 Ca 0.61 0.36 -0.12 0.00 0.00 0.00 0.00 51.96 52.81 1q5r s ALA 99 Cb 0.48 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 20.39 1q5r s ALA 99 CO -0.01 -1.10 0.34 0.14 0.00 0.00 0.00 175.76 175.13 1q5r s VAL 100 N -2.58 -0.00 -0.08 0.00 -7.23 -1.26 -2.30 120.40 106.95 1q5r s VAL 100 Ca 0.63 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.80 1q5r s VAL 100 Cb -0.17 -0.48 0.02 0.00 0.56 0.00 0.00 36.38 36.32 1q5r s VAL 100 CO 0.43 0.00 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.48 1q5r s VAL 101 N 0.19 0.73 0.47 1.32 1.01 0.52 -4.90 120.40 119.74 1q5r s VAL 101 Ca -0.00 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1q5r s VAL 101 Cb -0.02 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.59 1q5r s VAL 101 CO 0.00 0.30 0.70 -2.16 0.00 0.00 0.00 175.10 173.94 1q5r s PRO 102 N 1.46 2.94 -0.14 2.72 0.04 -1.26 -1.31 135.00 139.45 1q5r s PRO 102 Ca -0.01 -0.56 -0.01 0.00 0.04 0.00 0.00 61.00 60.45 1q5r s PRO 102 Cb -0.13 -2.54 0.04 0.00 0.04 0.00 0.00 34.50 31.91 1q5r s PRO 102 CO -0.04 -0.38 -0.01 -1.17 0.04 0.00 0.00 177.00 175.44 1q5r s LEU 103 N -4.60 1.14 -0.13 -3.56 0.20 0.56 -3.56 118.68 108.72 1q5r s LEU 103 Ca 0.51 -0.51 -0.04 0.00 0.69 0.00 0.00 54.13 54.78 1q5r s LEU 103 Cb -0.10 -0.67 -0.03 0.00 -0.43 0.00 0.00 46.19 44.96 1q5r s LEU 103 CO 0.38 -0.22 -0.00 -0.22 -0.29 0.00 0.00 176.35 176.00 1q5r s LEU 104 N 1.81 3.48 0.08 -0.68 2.96 -0.09 -1.22 118.68 125.02 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 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 1q5r s LEU 104 CO -0.07 0.25 -0.13 0.68 -1.32 0.00 0.00 176.35 175.75 1q5r s VAL 105 N -0.10 1.11 0.02 1.68 -7.23 -0.09 0.16 120.40 115.95 1q5r s VAL 105 Ca 0.04 -1.41 -0.28 0.00 -1.81 0.00 0.00 61.98 58.51 1q5r s VAL 105 Cb -0.13 -1.17 0.10 0.00 0.56 0.00 0.00 36.38 35.74 1q5r s VAL 105 CO 0.02 -0.30 0.89 -0.83 -0.31 0.00 0.00 175.10 174.57 1q5r s GLY 106 N -1.94 -0.44 -0.54 2.32 0.00 -0.91 -1.25 107.32 104.56 1q5r s GLY 106 Ca 0.01 0.90 -0.17 0.00 0.00 0.00 0.00 44.72 45.45 1q5r s GLY 106 CO 0.02 0.29 0.57 -0.47 0.00 0.00 0.00 173.10 173.51 1q5r s TYR 107 N -3.15 3.13 -0.59 1.90 5.04 -0.63 -1.42 117.35 121.63 1q5r s TYR 107 Ca 0.06 -1.00 -0.26 0.00 -2.44 0.00 0.00 57.07 53.43 1q5r s TYR 107 Cb -0.01 -3.71 -0.04 0.00 0.35 0.00 0.00 41.96 38.54 1q5r s TYR 107 CO -0.08 -1.07 2.09 0.34 -1.34 0.00 0.00 175.55 175.49 1q5r s ASP 108 N 3.28 4.91 0.47 4.32 2.15 0.15 -4.81 116.67 127.14 1q5r s ASP 108 Ca 0.08 0.55 0.14 0.00 0.43 0.00 0.00 52.55 53.74 1q5r s ASP 108 Cb -0.25 -2.52 1.10 0.00 -0.30 0.00 0.00 42.92 40.94 1q5r s ASP 108 CO 0.06 -2.64 2.06 -0.07 -0.17 0.00 0.00 175.17 174.41 1q5r h LEU 109 N 17.89 0.24 -3.20 -1.34 4.07 -1.94 -1.55 115.31 129.49 1q5r h LEU 109 Ca -0.23 -0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.43 1q5r h LEU 109 Cb 1.19 -0.05 -0.17 0.00 1.08 0.00 0.00 40.66 42.71 1q5r h LEU 109 CO 1.19 0.16 0.39 0.47 -1.08 0.00 0.00 178.44 179.57 1q5r n ASP 110 N -4.48 4.11 -4.95 -0.43 8.00 -1.26 -4.92 116.55 112.62 1q5r n ASP 110 Ca 0.04 -2.95 -0.22 0.00 0.71 0.00 0.00 54.79 52.37 1q5r n ASP 110 Cb 0.21 -0.76 -0.02 0.00 -0.02 0.00 0.00 41.12 40.52 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 -1.88 3.89 -0.02 2.24 0.00 -0.58 -5.06 121.76 120.34 1q5r s ALA 111 Ca 0.32 -1.22 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 1q5r s ALA 111 Cb 0.27 -1.68 -0.00 0.00 0.00 0.00 0.00 23.12 21.71 1q5r s ALA 111 CO 0.05 0.29 -0.01 -0.44 0.00 0.00 0.00 175.76 175.64 1q5r h ASP 112 N 1.37 0.00 -1.36 0.00 3.32 -1.91 -3.43 116.42 114.41 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 0.09 1.11 -1.81 -1.72 0.00 0.00 179.24 177.53 1q5r s ASP 113 N -3.57 4.72 0.00 6.45 1.01 -1.26 -4.76 116.67 119.26 1q5r s ASP 113 Ca -0.01 0.36 0.01 0.00 0.71 0.00 0.00 52.55 53.62 1q5r s ASP 113 Cb 0.00 -2.53 0.03 0.00 1.01 0.00 0.00 42.92 41.43 1q5r s ASP 113 CO 0.01 -2.88 0.93 -0.62 0.21 0.00 0.00 175.17 172.82 1q5r n GLU 114 N 9.01 0.00 -0.02 8.23 -0.58 -1.26 0.24 120.64 136.26 1q5r n GLU 114 Ca 0.34 0.40 -0.02 0.00 -0.42 0.00 0.00 57.16 57.46 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 -1.41 0.48 -1.16 1.62 3.41 -1.26 -4.16 113.62 111.14 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 0.68 0.28 0.00 -0.26 0.00 0.00 64.21 64.92 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 -2.76 3.39 0.31 4.33 5.12 0.14 -4.51 116.66 122.69 1q5r n ARG 116 Ca -0.16 -2.72 0.21 0.00 -1.93 0.00 0.00 57.85 53.25 1q5r n ARG 116 Cb 0.90 -1.78 1.01 0.00 -1.16 0.00 0.00 32.46 31.43 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 2.78 1.00 -2.72 7.54 0.00 -1.23 -3.43 119.26 123.20 1q5r h ALA 117 Ca 0.00 -0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1q5r h ALA 117 Cb 1.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1q5r h ALA 117 CO 0.21 0.00 0.45 0.20 0.00 0.00 0.00 179.25 180.11 1q5r s GLY 118 N -4.16 2.98 0.05 0.00 0.00 -1.26 0.34 107.32 105.27 1q5r s GLY 118 Ca -0.03 0.80 0.01 0.00 0.00 0.00 0.00 44.72 45.50 1q5r s GLY 118 CO 0.46 1.51 -0.06 0.50 0.00 0.00 0.00 173.10 175.52 1q5r s ARG 119 N -0.87 0.53 -0.07 2.90 0.52 -0.51 -4.93 118.95 116.52 1q5r s ARG 119 Ca 0.46 -0.87 0.01 0.00 -0.52 0.00 0.00 55.73 54.81 1q5r s ARG 119 Cb -0.29 -0.09 0.02 0.00 0.52 0.00 0.00 34.95 35.11 1q5r s ARG 119 CO 0.36 -0.01 -0.10 0.42 0.02 0.00 0.00 175.30 175.99 1q5r s ILE 120 N -2.13 0.97 -0.10 1.52 1.01 -1.26 -2.13 121.20 119.08 1q5r s ILE 120 Ca -0.06 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.26 1q5r s ILE 120 Cb -0.05 -0.93 0.01 0.00 0.01 0.00 0.00 42.46 41.51 1q5r s ILE 120 CO -0.02 0.33 -0.16 -0.69 0.00 0.00 0.00 174.94 174.39 1q5r s VAL 121 N 0.92 1.52 0.28 2.92 1.01 0.12 -1.22 120.40 125.96 1q5r s VAL 121 Ca -0.10 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.27 1q5r s VAL 121 Cb -0.15 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 1q5r s VAL 121 CO 0.01 0.44 0.32 -0.94 0.00 0.00 0.00 175.10 174.93 1q5r s SER 122 N 0.80 5.83 0.25 3.32 1.04 -0.51 -0.91 113.70 123.52 1q5r s SER 122 Ca -0.10 -0.18 0.04 0.00 0.48 0.00 0.00 55.95 56.19 1q5r s SER 122 Cb -0.16 -1.44 -0.05 0.00 0.10 0.00 0.00 66.02 64.47 1q5r s SER 122 CO 0.01 -0.18 0.01 -0.31 0.98 0.00 0.00 173.24 173.75 1q5r s TYR 123 N -2.12 1.65 0.52 5.02 1.51 -1.23 -1.15 117.35 121.54 1q5r s TYR 123 Ca 0.37 -0.92 0.08 0.00 -1.01 0.00 0.00 57.07 55.59 1q5r s TYR 123 Cb -0.08 -0.97 0.09 0.00 -0.11 0.00 0.00 41.96 40.88 1q5r s TYR 123 CO 0.28 -0.02 0.71 -0.25 -1.11 0.00 0.00 175.55 175.16 1q5r n ASP 124 N -0.47 1.84 -0.00 2.29 10.43 -0.76 -4.91 116.55 124.96 1q5r n ASP 124 Ca -0.04 -2.35 0.09 0.00 2.57 0.00 0.00 54.79 55.06 1q5r n ASP 124 Cb 0.64 -0.38 -0.12 0.00 1.84 0.00 0.00 41.12 43.10 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 -2.13 0.00 0.82 2.53 0.24 -1.26 -4.02 118.33 114.50 1q5r n VAL 125 Ca 0.14 -0.21 0.11 0.00 -2.04 0.00 0.00 64.34 62.34 1q5r n VAL 125 Cb 0.53 0.62 0.29 0.00 -1.47 0.00 0.00 33.84 33.81 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 -1.74 0.37 -0.29 3.34 0.24 -1.26 -4.31 118.33 114.68 1q5r n VAL 126 Ca 0.01 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 1q5r n VAL 126 Cb 0.38 0.58 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 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 1.28 0.84 3.85 7.63 0.00 -1.26 -4.66 105.19 112.88 1q5r n GLY 127 Ca 0.17 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.08 2.04 0.10 -0.02 0.00 -1.26 -4.73 107.32 101.36 1q5r s GLY 128 Ca 0.00 0.08 0.08 0.00 0.00 0.00 0.00 44.72 44.88 1q5r s GLY 128 CO 0.00 0.33 -0.20 1.09 0.00 0.00 0.00 173.10 174.33 1q5r s ARG 129 N -4.00 1.08 -0.01 2.90 1.70 -1.26 -1.83 118.95 117.53 1q5r s ARG 129 Ca 0.57 -1.14 0.01 0.00 -0.47 0.00 0.00 55.73 54.70 1q5r s ARG 129 Cb -0.10 -1.29 0.00 0.00 -0.57 0.00 0.00 34.95 32.99 1q5r s ARG 129 CO 0.31 0.30 -0.04 0.71 -1.08 0.00 0.00 175.30 175.50 1q5r s TYR 130 N -1.23 0.37 -0.13 5.89 1.51 -0.30 -4.98 117.35 118.48 1q5r s TYR 130 Ca 0.05 -0.07 -0.27 0.00 -1.01 0.00 0.00 57.07 55.78 1q5r s TYR 130 Cb -0.10 -0.26 -0.02 0.00 -0.11 0.00 0.00 41.96 41.47 1q5r s TYR 130 CO 0.04 -0.02 0.90 -1.21 -1.11 0.00 0.00 175.55 174.15 1q5r s GLU 131 N 0.04 4.36 -0.05 -0.62 0.41 -1.26 -1.43 118.70 120.15 1q5r s GLU 131 Ca 0.00 1.17 -0.06 0.00 -0.41 0.00 0.00 54.97 55.67 1q5r s GLU 131 Cb -0.03 -3.55 -0.03 0.00 -1.78 0.00 0.00 34.13 28.74 1q5r s GLU 131 CO -0.00 -0.29 0.30 0.93 -0.49 0.00 0.00 175.26 175.71 1q5r h GLU 132 N 7.18 -0.21 -6.57 1.61 4.39 -1.55 -3.48 114.58 115.95 1q5r h GLU 132 Ca -0.31 0.01 -0.51 0.00 0.34 0.00 0.00 59.36 58.89 1q5r h GLU 132 Cb 1.14 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.80 1q5r h GLU 132 CO 0.84 -0.14 -0.92 2.89 -1.16 0.00 0.00 179.01 180.52 1q5r n ARG 133 N -4.18 -2.25 0.00 2.33 1.85 -1.26 -4.78 116.66 108.38 1q5r n ARG 133 Ca -0.03 0.34 0.00 0.00 -1.00 0.00 0.00 57.85 57.16 1q5r n ARG 133 Cb 0.08 -4.11 0.00 0.00 -1.05 0.00 0.00 32.46 27.38 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 -4.45 0.25 0.00 2.89 0.00 -1.26 -4.99 120.51 112.95 1q5r n ALA 134 Ca -0.25 -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 -0.00 2.89 3.46 0.00 0.00 -1.26 -4.98 105.19 105.30 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 -2.15 0.27 0.04 1.61 -0.85 -1.26 0.19 117.35 115.21 1q5r s TYR 136 Ca 0.00 -0.63 -0.28 0.00 -0.52 0.00 0.00 57.07 55.64 1q5r s TYR 136 Cb 0.00 0.12 0.09 0.00 0.38 0.00 0.00 41.96 42.56 1q5r s TYR 136 CO 0.00 -0.86 0.99 -1.58 -1.52 0.00 0.00 175.55 172.58 1q5r s HIS 137 N -3.96 -0.21 0.24 -3.49 2.46 -0.19 -4.91 115.29 105.22 1q5r s HIS 137 Ca 0.17 0.02 -0.09 0.00 0.47 0.00 0.00 55.06 55.64 1q5r s HIS 137 Cb 0.01 0.58 -0.01 0.00 -0.13 0.00 0.00 32.58 33.02 1q5r s HIS 137 CO 0.02 -0.59 0.38 0.00 -2.47 0.00 0.00 174.74 172.08 1q5r s ALA 138 N -3.05 0.23 -0.02 1.58 0.00 -1.26 -0.11 121.76 119.13 1q5r s ALA 138 Ca 0.09 -1.16 -0.23 0.00 0.00 0.00 0.00 51.96 50.66 1q5r s ALA 138 Cb -0.01 1.17 0.05 0.00 0.00 0.00 0.00 23.12 24.33 1q5r s ALA 138 CO -0.04 -0.78 0.51 0.14 0.00 0.00 0.00 175.76 175.59 1q5r s VAL 139 N -3.98 0.03 0.00 0.00 -7.23 -0.47 -4.94 120.40 103.81 1q5r s VAL 139 Ca 0.28 -0.23 0.00 0.00 -1.81 0.00 0.00 61.98 60.21 1q5r s VAL 139 Cb 0.01 -0.84 0.00 0.00 0.56 0.00 0.00 36.38 36.11 1q5r s VAL 139 CO 0.11 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 1q5r n GLY 140 N 0.98 2.09 0.31 2.32 0.00 -1.26 -0.39 105.19 109.24 1q5r n GLY 140 Ca -0.20 -2.01 0.02 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.80 0.66 1.61 4.64 -1.85 0.39 113.55 118.20 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 0.52 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1q5r h SER 141 CO 0.00 -0.27 0.00 0.61 -0.87 0.00 0.00 176.83 176.30 1q5r n GLY 142 N -1.53 -1.27 0.33 -0.77 0.00 -1.26 -4.15 105.19 96.53 1q5r n GLY 142 Ca 0.12 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.43 -0.11 1.61 4.64 -0.41 0.70 113.55 119.54 1q5r h SER 143 Ca 0.00 0.26 0.04 0.00 -0.47 0.00 0.00 61.79 61.62 1q5r h SER 143 Cb 0.33 0.45 -0.04 0.00 -0.31 0.00 0.00 62.40 62.83 1q5r h SER 143 CO 0.00 -0.31 -0.14 0.25 -0.87 0.00 0.00 176.83 175.75 1q5r h LEU 144 N 0.04 -0.44 0.18 5.97 7.12 -1.76 0.11 115.31 126.53 1q5r h LEU 144 Ca 0.56 0.08 -0.01 0.00 0.13 0.00 0.00 57.88 58.65 1q5r h LEU 144 Cb 1.13 0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.47 1q5r h LEU 144 CO -0.86 -0.19 -0.09 -0.26 -0.13 0.00 0.00 178.44 176.91 1q5r h PHE 145 N -0.19 -0.22 -0.52 1.25 -1.00 -1.29 -2.86 116.94 112.12 1q5r h PHE 145 Ca 0.09 -0.01 0.10 0.00 2.81 0.00 0.00 57.97 60.96 1q5r h PHE 145 Cb 0.31 0.07 -0.11 0.00 3.61 0.00 0.00 35.95 39.84 1q5r h PHE 145 CO -0.25 0.15 -0.24 0.00 -1.61 0.00 0.00 178.31 176.37 1q5r h ALA 146 N 0.04 0.13 -0.79 2.45 0.00 -0.81 0.94 119.26 121.22 1q5r h ALA 146 Ca -0.02 0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.15 1q5r h ALA 146 Cb 0.48 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 1q5r h ALA 146 CO 0.04 -0.57 0.44 0.87 0.00 0.00 0.00 179.25 180.03 1q5r h LYS 147 N -0.12 0.73 0.00 0.00 1.57 -0.82 -1.00 116.57 116.94 1q5r h LYS 147 Ca 0.24 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1q5r h LYS 147 Cb 0.49 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1q5r h LYS 147 CO -0.59 0.48 -0.22 0.77 -0.57 0.00 0.00 179.45 179.32 1q5r h SER 148 N 0.75 0.00 -0.07 0.86 0.02 -0.63 0.53 113.55 115.02 1q5r h SER 148 Ca 0.38 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.22 1q5r h SER 148 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1q5r h SER 148 CO -0.24 0.22 -0.36 0.00 -1.14 0.00 0.00 176.83 175.31 1q5r h ALA 149 N 1.78 0.14 -0.65 3.77 0.00 0.03 -3.12 119.26 121.21 1q5r h ALA 149 Ca -0.00 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.47 1q5r h ALA 149 Cb 0.43 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1q5r h ALA 149 CO 0.03 0.22 0.43 -0.07 0.00 0.00 0.00 179.25 179.86 1q5r h LEU 150 N -0.12 0.69 -1.98 0.00 -0.00 -0.74 0.16 115.31 113.32 1q5r h LEU 150 Ca -0.02 -0.01 0.16 0.00 -0.00 0.00 0.00 57.88 58.00 1q5r h LEU 150 Cb 1.01 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.48 1q5r h LEU 150 CO 0.07 0.49 0.48 0.50 -0.00 0.00 0.00 178.44 179.98 1q5r h LYS 151 N 0.81 0.00 0.00 1.13 3.64 -0.84 -0.82 116.57 120.50 1q5r h LYS 151 Ca 0.25 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 59.22 1q5r h LYS 151 Cb 0.01 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.77 1q5r h LYS 151 CO -0.06 0.00 -2.36 1.63 -2.27 0.00 0.00 179.45 176.38 1q5r n LYS 152 N -3.95 0.55 0.00 1.90 4.76 0.34 -4.65 118.16 117.11 1q5r n LYS 152 Ca 0.10 0.24 0.14 0.00 -2.87 0.00 0.00 58.31 55.92 1q5r n LYS 152 Cb 0.70 -1.42 0.52 0.00 -1.84 0.00 0.00 35.03 32.99 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 -4.18 0.00 -3.09 -0.18 -5.35 -0.03 -4.87 119.36 101.65 1q5r n ILE 153 Ca -0.49 -0.11 -0.40 0.00 -0.27 0.00 0.00 62.75 61.48 1q5r n ILE 153 Cb 0.84 0.17 -0.05 0.00 -1.74 0.00 0.00 39.64 38.86 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 -2.40 3.47 -0.08 4.28 5.04 -0.32 -4.94 117.35 122.40 1q5r s TYR 154 Ca 0.29 1.07 0.03 0.00 -2.44 0.00 0.00 57.07 56.02 1q5r s TYR 154 Cb 0.20 -2.80 -0.02 0.00 0.35 0.00 0.00 41.96 39.70 1q5r s TYR 154 CO 0.47 -0.05 -0.16 -1.54 -1.34 0.00 0.00 175.55 172.93 1q5r s SER 155 N 0.98 3.83 0.00 4.32 1.04 -1.26 -4.94 113.70 117.67 1q5r s SER 155 Ca 0.32 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1q5r s SER 155 Cb -0.16 -1.12 0.00 0.00 0.10 0.00 0.00 66.02 64.83 1q5r s SER 155 CO 0.13 0.26 0.00 -2.65 0.98 0.00 0.00 173.24 171.96 1q5r n PRO 156 N 2.87 1.78 -1.61 4.02 -0.02 -1.26 -4.54 135.00 136.25 1q5r n PRO 156 Ca -0.18 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 2.13 -3.13 2.55 9.92 -1.26 -4.66 116.55 122.10 1q5r n ASP 157 Ca 0.00 0.88 -0.08 0.00 -0.53 0.00 0.00 54.79 55.06 1q5r n ASP 157 Cb 0.00 -1.14 0.01 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 4.68 -0.04 0.99 -2.24 1.04 -1.26 -4.72 113.70 112.15 1q5r s SER 158 Ca 1.04 -1.04 -0.15 0.00 0.48 0.00 0.00 55.95 56.27 1q5r s SER 158 Cb -1.08 0.82 -0.02 0.00 0.10 0.00 0.00 66.02 65.85 1q5r s SER 158 CO 0.63 -1.61 -0.07 0.47 0.98 0.00 0.00 173.24 173.63 1q5r n ASP 159 N -1.21 -3.23 0.16 7.02 9.92 -1.26 -2.78 116.55 125.16 1q5r n ASP 159 Ca -0.07 0.22 0.04 0.00 -0.53 0.00 0.00 54.79 54.45 1q5r n ASP 159 Cb 0.60 -1.02 0.06 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 -1.45 0.00 0.00 -1.24 4.81 -1.99 -2.80 114.58 111.92 1q5r h GLU 160 Ca -0.45 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.67 1q5r h GLU 160 Cb 1.30 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 1q5r h GLU 160 CO 0.31 0.40 -0.90 1.49 -0.73 0.00 0.00 179.01 179.57 1q5r h GLU 161 N 0.00 0.00 -0.09 1.92 4.81 -1.98 -2.30 114.58 116.95 1q5r h GLU 161 Ca -0.00 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 1q5r h GLU 161 Cb 1.30 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.69 1q5r h GLU 161 CO 0.05 0.34 -0.57 1.15 -0.73 0.00 0.00 179.01 179.25 1q5r h THR 162 N 0.00 1.36 -0.27 0.32 2.02 -1.88 -1.98 112.91 112.49 1q5r h THR 162 Ca -0.07 -1.90 -0.13 0.00 0.77 0.00 0.00 66.41 65.08 1q5r h THR 162 Cb 1.41 2.24 -0.00 0.00 -1.74 0.00 0.00 68.15 70.06 1q5r h THR 162 CO 0.05 0.57 -0.36 0.00 0.37 0.00 0.00 175.52 176.15 1q5r h ALA 163 N 0.45 0.41 -0.07 6.16 0.00 -1.59 -0.86 119.26 123.77 1q5r h ALA 163 Ca -0.05 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1q5r h ALA 163 Cb 1.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1q5r h ALA 163 CO 0.12 0.48 -0.10 1.25 0.00 0.00 0.00 179.25 180.99 1q5r h LEU 164 N 0.46 0.09 -0.09 0.00 5.85 -1.47 -0.52 115.31 119.63 1q5r h LEU 164 Ca 0.03 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 1q5r h LEU 164 Cb 0.94 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.95 1q5r h LEU 164 CO 0.08 0.21 -0.42 -0.09 -0.34 0.00 0.00 178.44 177.88 1q5r h ARG 165 N 0.10 0.44 -0.77 1.25 2.43 -1.14 -2.03 114.38 114.66 1q5r h ARG 165 Ca 0.02 -0.36 0.02 0.00 -0.81 0.00 0.00 59.98 58.86 1q5r h ARG 165 Cb 0.25 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 1q5r h ARG 165 CO 0.01 0.99 0.50 0.00 -1.51 0.00 0.00 179.97 179.96 1q5r h ALA 166 N 0.46 1.00 0.77 2.80 0.00 -0.62 -0.78 119.26 122.89 1q5r h ALA 166 Ca -0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1q5r h ALA 166 Cb 1.07 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1q5r h ALA 166 CO 0.09 0.34 -0.37 0.00 0.00 0.00 0.00 179.25 179.30 1q5r h ALA 167 N 1.31 -1.14 -0.89 0.00 0.00 -1.09 0.34 119.26 117.78 1q5r h ALA 167 Ca 0.30 -0.23 0.26 0.00 0.00 0.00 0.00 54.91 55.24 1q5r h ALA 167 Cb -0.04 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1q5r h ALA 167 CO -0.09 -1.06 0.64 0.82 0.00 0.00 0.00 179.25 179.56 1q5r h ILE 168 N -1.16 0.55 -0.11 0.00 2.04 -1.25 0.13 117.51 117.70 1q5r h ILE 168 Ca -0.11 -0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.63 1q5r h ILE 168 Cb 0.79 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1q5r h ILE 168 CO 0.17 0.00 -0.41 -0.08 0.00 0.00 0.00 178.15 177.83 1q5r h GLU 169 N 0.00 0.48 -0.34 2.37 4.81 -0.71 -2.97 114.58 118.22 1q5r h GLU 169 Ca 0.43 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1q5r h GLU 169 Cb 1.70 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 31.13 1q5r h GLU 169 CO -0.01 0.99 0.21 0.66 -0.73 0.00 0.00 179.01 180.14 1q5r h SER 170 N 0.07 0.39 0.46 1.04 4.64 0.14 0.26 113.55 120.55 1q5r h SER 170 Ca -0.02 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 1q5r h SER 170 Cb 1.04 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 1q5r h SER 170 CO 0.09 0.29 -0.30 -0.07 -0.87 0.00 0.00 176.83 175.97 1q5r h LEU 171 N 0.46 0.00 -0.22 5.97 3.38 -1.32 0.85 115.31 124.42 1q5r h LEU 171 Ca 0.12 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1q5r h LEU 171 Cb -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1q5r h LEU 171 CO -0.03 0.30 -0.24 1.88 0.09 0.00 0.00 178.44 180.44 1q5r h TYR 172 N 0.00 0.66 -0.17 1.13 -1.99 -0.37 -2.01 116.97 114.24 1q5r h TYR 172 Ca -0.00 -0.20 -0.10 0.00 2.00 0.00 0.00 58.73 60.42 1q5r h TYR 172 Cb 0.60 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 39.18 1q5r h TYR 172 CO 0.00 0.90 -0.36 -0.44 -0.00 0.00 0.00 178.16 178.26 1q5r h ASP 173 N 0.24 0.36 -0.25 3.88 3.32 -0.71 -2.77 116.42 120.49 1q5r h ASP 173 Ca 0.03 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 1q5r h ASP 173 Cb 0.79 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1q5r h ASP 173 CO 0.06 0.69 -0.03 0.00 -1.72 0.00 0.00 179.24 178.24 1q5r h ALA 174 N 1.33 0.34 -0.20 3.45 0.00 -0.78 -2.60 119.26 120.80 1q5r h ALA 174 Ca 0.03 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.76 1q5r h ALA 174 Cb 0.77 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1q5r h ALA 174 CO 0.06 0.11 0.25 0.00 0.00 0.00 0.00 179.25 179.66 1q5r h ALA 175 N 0.79 1.78 -0.38 0.00 0.00 -1.14 0.54 119.26 120.86 1q5r h ALA 175 Ca 0.07 -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 -0.35 0.16 -0.44 0.00 0.00 0.00 179.25 178.64 1q5r h ASP 176 N 0.00 0.51 0.00 0.00 3.32 -1.19 -3.34 116.42 115.72 1q5r h ASP 176 Ca 0.09 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1q5r h ASP 176 Cb 0.59 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1q5r h ASP 176 CO -0.00 0.52 -0.82 0.47 -1.72 0.00 0.00 179.24 177.68 1q5r n ASP 177 N -4.69 0.89 -4.21 6.45 8.00 -0.68 -4.92 116.55 117.38 1q5r n ASP 177 Ca -0.01 -0.64 -0.36 0.00 0.71 0.00 0.00 54.79 54.50 1q5r n ASP 177 Cb 0.13 1.13 -0.13 0.00 -0.02 0.00 0.00 41.12 42.22 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 -2.50 4.87 0.14 -2.24 3.68 0.10 -4.96 116.67 115.75 1q5r s ASP 178 Ca 0.03 -1.11 0.19 0.00 2.13 0.00 0.00 52.55 53.79 1q5r s ASP 178 Cb 0.10 -1.75 0.80 0.00 -1.45 0.00 0.00 42.92 40.62 1q5r s ASP 178 CO 0.54 -0.24 1.59 -1.54 0.13 0.00 0.00 175.17 175.65 1q5r n SER 179 N 4.69 0.35 -0.22 -0.34 3.41 -1.26 -1.67 113.62 118.59 1q5r n SER 179 Ca -0.14 0.59 0.14 0.00 -0.26 0.00 0.00 58.87 59.20 1q5r n SER 179 Cb 0.45 -0.66 0.61 0.00 -0.26 0.00 0.00 64.21 64.35 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 -1.65 2.74 -2.00 7.33 0.00 -1.26 -4.63 120.51 121.04 1q5r n ALA 180 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1q5r n ALA 180 Cb 0.19 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.60 0.00 -2.85 0.00 -1.04 -0.67 -4.80 114.28 104.33 1q5r n THR 181 Ca 0.17 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.09 1q5r n THR 181 Cb 0.28 -0.19 0.04 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 4.10 -0.81 0.00 3.41 0.00 -1.22 -4.59 105.19 106.08 1q5r n GLY 182 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.37 -2.78 3.66 -0.02 0.00 -1.25 -4.79 105.19 98.64 1q5r n GLY 183 Ca -0.04 -0.35 -0.47 0.00 0.00 0.00 0.00 46.02 45.16 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 1.99 -3.68 1.61 -0.02 -1.26 -4.84 135.00 128.80 1q5r n PRO 184 Ca 0.00 0.72 -0.29 0.00 -2.02 0.00 0.00 63.50 61.90 1q5r n PRO 184 Cb 0.00 -2.46 -0.15 0.00 -0.02 0.00 0.00 33.50 30.87 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 0.81 3.79 0.34 2.55 -1.08 -0.75 -4.99 116.67 117.32 1q5r s ASP 185 Ca 0.79 -1.46 0.02 0.00 -0.52 0.00 0.00 52.55 51.38 1q5r s ASP 185 Cb -0.72 -0.69 0.60 0.00 -1.46 0.00 0.00 42.92 40.65 1q5r s ASP 185 CO 0.40 -0.41 1.96 -0.07 0.52 0.00 0.00 175.17 177.56 1q5r h LEU 186 N 8.20 0.69 -0.20 -1.34 3.38 -1.94 0.13 115.31 124.23 1q5r h LEU 186 Ca -0.16 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1q5r h LEU 186 Cb 1.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1q5r h LEU 186 CO 0.45 0.57 0.06 0.74 0.09 0.00 0.00 178.44 180.35 1q5r h THR 187 N 0.78 1.19 0.00 0.22 2.02 -1.97 -3.17 112.91 111.98 1q5r h THR 187 Ca 0.20 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1q5r h THR 187 Cb 0.04 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1q5r h THR 187 CO -0.03 0.19 -0.67 0.03 0.37 0.00 0.00 175.52 175.41 1q5r h ARG 188 N 0.15 0.00 -3.01 6.66 3.08 -1.98 -3.48 114.38 115.79 1q5r h ARG 188 Ca 0.06 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 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 0.00 179.97 179.07 1q5r n GLY 189 N 1.25 0.25 3.31 0.04 0.00 0.42 -5.03 105.19 105.43 1q5r n GLY 189 Ca 0.02 -0.32 -0.37 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 3.77 0.08 -0.61 -1.09 -0.99 -5.00 121.20 114.25 1q5r s ILE 190 Ca 0.03 -0.81 0.08 0.00 -2.23 0.00 0.00 60.65 57.72 1q5r s ILE 190 Cb -0.02 -2.97 -0.03 0.00 -1.58 0.00 0.00 42.46 37.86 1q5r s ILE 190 CO 0.23 0.06 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.47 1q5r s TYR 191 N 1.46 1.83 0.71 3.97 1.51 -1.26 -1.82 117.35 123.75 1q5r s TYR 191 Ca 0.01 -0.40 -0.16 0.00 -1.01 0.00 0.00 57.07 55.51 1q5r s TYR 191 Cb -0.17 -1.03 -0.03 0.00 -0.11 0.00 0.00 41.96 40.61 1q5r s TYR 191 CO 0.01 0.17 0.65 -2.30 -1.11 0.00 0.00 175.55 172.98 1q5r n PRO 192 N 1.33 0.39 -3.98 -1.71 -0.02 -1.26 -4.86 135.00 124.89 1q5r n PRO 192 Ca -0.19 0.17 -0.35 0.00 -2.02 0.00 0.00 63.50 61.12 1q5r n PRO 192 Cb 0.53 -1.93 -0.06 0.00 -0.02 0.00 0.00 33.50 32.02 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 -1.86 5.22 0.13 3.45 2.01 -0.28 -4.91 115.64 119.40 1q5r s THR 193 Ca 0.68 -0.10 -0.03 0.00 0.31 0.00 0.00 61.69 62.55 1q5r s THR 193 Cb -0.36 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 1q5r s THR 193 CO 0.55 0.45 0.10 0.00 -0.69 0.00 0.00 174.62 175.03 1q5r s ALA 194 N -1.16 0.61 -0.20 7.40 0.00 -1.26 0.38 121.76 127.52 1q5r s ALA 194 Ca 0.21 -1.29 -0.14 0.00 0.00 0.00 0.00 51.96 50.74 1q5r s ALA 194 Cb -0.12 0.79 0.06 0.00 0.00 0.00 0.00 23.12 23.85 1q5r s ALA 194 CO 0.12 -0.51 0.50 0.08 0.00 0.00 0.00 175.76 175.95 1q5r s VAL 195 N -4.01 -0.01 0.09 0.00 1.01 0.28 -2.07 120.40 115.68 1q5r s VAL 195 Ca 0.20 0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.31 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 -0.00 0.02 -0.21 0.42 0.00 0.00 0.00 175.10 175.32 1q5r s THR 196 N 1.06 2.61 -0.08 3.92 -4.23 -0.59 -0.49 115.64 117.85 1q5r s THR 196 Ca -0.06 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1q5r s THR 196 Cb -0.06 -2.13 0.02 0.00 1.34 0.00 0.00 72.50 71.67 1q5r s THR 196 CO -0.10 0.21 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.51 1q5r s ILE 197 N -1.01 0.77 0.29 2.99 1.01 0.15 -0.54 121.20 124.86 1q5r s ILE 197 Ca 0.15 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.65 1q5r s ILE 197 Cb -0.10 -0.80 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 1q5r s ILE 197 CO 0.07 0.30 0.30 1.07 0.00 0.00 0.00 174.94 176.68 1q5r n THR 198 N 4.52 0.00 0.16 2.92 5.66 -0.62 -1.48 114.28 125.45 1q5r n THR 198 Ca -0.17 -1.92 0.16 0.00 -3.05 0.00 0.00 64.05 59.07 1q5r n THR 198 Cb 0.51 1.02 0.56 0.00 -1.55 0.00 0.00 70.33 70.86 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 0.78 115.11 119.19 1q5r h GLN 199 Ca -0.21 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.16 1q5r h GLN 199 Cb 1.03 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 1q5r h GLN 199 CO 0.30 0.00 -0.24 0.00 -1.93 0.00 0.00 178.83 176.96 1q5r h ALA 200 N 0.95 0.85 0.00 3.38 0.00 -1.97 -3.50 119.26 118.96 1q5r h ALA 200 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1q5r h ALA 200 Cb 1.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.24 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 1.15 0.48 3.74 0.00 0.00 0.27 -5.04 105.19 105.80 1q5r n GLY 201 Ca 0.03 -2.20 -0.36 0.00 0.00 0.00 0.00 46.02 43.50 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 -1.73 3.66 0.01 4.61 0.00 -0.25 -1.58 121.76 126.47 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 -2.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.85 1q5r s ALA 202 CO 0.00 0.17 -0.05 0.08 0.00 0.00 0.00 175.76 175.96 1q5r s VAL 203 N 0.27 0.37 -0.06 0.00 1.01 0.30 -4.99 120.40 117.30 1q5r s VAL 203 Ca 0.13 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 1q5r s VAL 203 Cb -0.12 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 1q5r s VAL 203 CO 0.01 -0.01 1.19 -1.00 0.00 0.00 0.00 175.10 175.30 1q5r s HIS 204 N -0.37 3.20 0.42 5.22 3.76 -1.26 -1.54 115.29 124.72 1q5r s HIS 204 Ca -0.01 1.23 -0.24 0.00 -0.15 0.00 0.00 55.06 55.89 1q5r s HIS 204 Cb -0.03 -3.41 -0.08 0.00 1.11 0.00 0.00 32.58 30.16 1q5r s HIS 204 CO -0.00 -1.28 1.14 0.08 -0.85 0.00 0.00 174.74 173.83 1q5r s VAL 205 N 2.21 3.27 0.41 -0.90 1.01 -0.88 -4.97 120.40 120.55 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 -0.24 -3.53 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 1q5r s VAL 205 CO 0.22 0.03 0.90 -0.94 0.00 0.00 0.00 175.10 175.31 1q5r s SER 206 N -1.32 6.87 0.44 3.32 1.04 -1.26 -4.67 113.70 118.11 1q5r s SER 206 Ca 0.60 1.57 0.16 0.00 0.48 0.00 0.00 55.95 58.75 1q5r s SER 206 Cb -0.28 -2.49 1.07 0.00 0.10 0.00 0.00 66.02 64.42 1q5r s SER 206 CO 0.35 -0.34 1.96 -0.08 0.98 0.00 0.00 173.24 176.10 1q5r h GLU 207 N 1.90 0.36 0.83 4.02 4.81 -1.94 -1.68 114.58 122.88 1q5r h GLU 207 Ca -0.49 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.68 1q5r h GLU 207 Cb 1.18 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 30.49 1q5r h GLU 207 CO 0.62 0.24 -0.40 0.93 -0.73 0.00 0.00 179.01 179.67 1q5r h GLU 208 N 0.37 -1.08 -0.89 1.92 5.08 -1.99 0.15 114.58 118.14 1q5r h GLU 208 Ca 0.31 0.07 0.23 0.00 -1.00 0.00 0.00 59.36 58.97 1q5r h GLU 208 Cb 0.71 0.25 -0.05 0.00 0.50 0.00 0.00 28.75 30.15 1q5r h GLU 208 CO -0.09 -0.72 0.61 1.15 -1.00 0.00 0.00 179.01 178.96 1q5r h THR 209 N -1.12 0.62 0.15 1.13 2.02 -1.71 0.77 112.91 114.76 1q5r h THR 209 Ca -0.11 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1q5r h THR 209 Cb 0.86 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1q5r h THR 209 CO 0.18 0.04 -0.07 0.74 0.37 0.00 0.00 175.52 176.78 1q5r h THR 210 N 0.21 0.00 -1.01 3.16 2.02 -0.99 -2.55 112.91 113.76 1q5r h THR 210 Ca 0.45 -0.51 0.16 0.00 0.77 0.00 0.00 66.41 67.28 1q5r h THR 210 Cb 1.41 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.72 1q5r h THR 210 CO -0.10 0.00 0.62 0.77 0.37 0.00 0.00 175.52 177.18 1q5r h SER 211 N -0.71 0.85 0.86 4.18 4.64 -0.41 0.20 113.55 123.17 1q5r h SER 211 Ca -0.02 0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 1q5r h SER 211 Cb 0.15 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1q5r h SER 211 CO 0.03 0.37 -0.41 -0.08 -0.87 0.00 0.00 176.83 175.87 1q5r h GLU 212 N 0.86 -1.11 -0.56 4.77 4.22 -0.97 -1.40 114.58 120.38 1q5r h GLU 212 Ca 0.55 0.08 0.16 0.00 0.08 0.00 0.00 59.36 60.22 1q5r h GLU 212 Cb 0.73 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1q5r h GLU 212 CO -0.34 -0.74 0.44 -0.07 -2.18 0.00 0.00 179.01 176.13 1q5r h LEU 213 N -1.24 0.00 0.31 1.64 3.38 -0.94 -1.56 115.31 116.89 1q5r h LEU 213 Ca -0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1q5r h LEU 213 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1q5r h LEU 213 CO 0.19 0.00 -0.15 0.00 0.09 0.00 0.00 178.44 178.57 1q5r h ALA 214 N 1.65 -0.42 -0.74 1.53 0.00 0.06 -2.43 119.26 118.90 1q5r h ALA 214 Ca 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1q5r h ALA 214 Cb 1.14 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1q5r h ALA 214 CO -0.00 -0.60 0.47 0.00 0.00 0.00 0.00 179.25 179.12 1q5r h ARG 215 N -0.69 0.99 -0.90 0.00 3.08 -0.36 -1.98 114.38 114.52 1q5r h ARG 215 Ca -0.04 -0.08 0.06 0.00 0.07 0.00 0.00 59.98 59.99 1q5r h ARG 215 Cb 0.48 -0.22 -0.06 0.00 0.08 0.00 0.00 29.97 30.26 1q5r h ARG 215 CO 0.07 0.68 0.59 -0.09 -1.07 0.00 0.00 179.97 180.15 1q5r h ARG 216 N 1.01 1.00 -0.60 0.04 2.43 -1.33 -1.98 114.38 114.95 1q5r h ARG 216 Ca 0.27 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1q5r h ARG 216 Cb -0.08 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.22 1q5r h ARG 216 CO -0.05 0.66 0.31 0.82 -1.51 0.00 0.00 179.97 180.20 1q5r h ILE 217 N 1.03 1.20 -1.59 1.20 2.04 -0.85 -3.39 117.51 117.15 1q5r h ILE 217 Ca 0.38 -0.54 -0.51 0.00 1.00 0.00 0.00 64.86 65.19 1q5r h ILE 217 Cb 0.18 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1q5r h ILE 217 CO -0.14 0.23 1.59 0.52 0.00 0.00 0.00 178.15 180.35 1q5r n VAL 218 N -4.55 0.06 -0.15 1.67 0.31 -0.75 -5.13 118.33 109.79 1q5r n VAL 218 Ca 0.04 -0.63 0.00 0.00 -0.01 0.00 0.00 64.34 63.74 1q5r n VAL 218 Cb 0.10 -2.54 0.00 0.00 -0.91 0.00 0.00 33.84 30.49 1q5r n VAL 218 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51