#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 5.84 0.00 1.96 0.15 -1.26 -4.94 113.70 115.44 1q5r s SER -48 Ca 0.00 2.24 0.12 0.00 0.70 0.00 0.00 55.95 59.01 1q5r s SER -48 Cb 0.00 -2.59 0.43 0.00 -1.71 0.00 0.00 66.02 62.15 1q5r s SER -48 CO 0.00 -1.14 1.32 0.49 1.20 0.00 0.00 173.24 175.11 1q5r n PHE -47 N -1.04 0.28 -0.34 3.44 3.72 -1.26 -5.04 117.46 117.22 1q5r n PHE -47 Ca 0.10 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1q5r n PHE -47 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 1q5r n PHE -47 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1q5r n GLY -46 N 0.95 -2.69 3.78 1.37 0.00 -1.26 -4.94 105.19 102.40 1q5r n GLY -46 Ca 0.11 -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 -1.81 6.92 0.41 1.61 0.15 -1.26 -4.95 113.70 114.77 1q5r s SER -45 Ca 0.00 2.07 0.14 0.00 0.70 0.00 0.00 55.95 58.86 1q5r s SER -45 Cb 0.00 -2.59 0.86 0.00 -1.71 0.00 0.00 66.02 62.58 1q5r s SER -45 CO 0.00 -0.38 1.90 -1.13 1.20 0.00 0.00 173.24 174.83 1q5r h ASN -44 N 2.84 0.00 -0.43 5.45 -0.00 -1.92 -2.54 115.58 118.99 1q5r h ASN -44 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.82 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 0.63 0.29 0.00 0.18 -0.00 0.00 0.00 177.43 178.54 1q5r n LEU -43 N -4.12 3.54 -1.85 0.34 4.32 -1.26 -4.94 117.00 113.03 1q5r n LEU -43 Ca -0.02 -1.55 -0.15 0.00 -0.02 0.00 0.00 56.01 54.27 1q5r n LEU -43 Cb 0.34 -0.27 0.01 0.00 -1.62 0.00 0.00 43.42 41.88 1q5r n LEU -43 CO 0.37 0.77 -0.11 -1.20 -1.22 0.00 0.00 177.39 176.01 1q5r n SER -42 N 1.53 -4.53 -4.39 -1.43 7.64 -0.96 -4.99 113.62 106.50 1q5r n SER -42 Ca 0.20 -0.09 -0.37 0.00 1.01 0.00 0.00 58.87 59.62 1q5r n SER -42 Cb 0.61 -3.57 -0.12 0.00 -1.01 0.00 0.00 64.21 60.12 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 -2.53 5.22 0.26 6.43 0.15 -1.26 -4.07 113.70 117.89 1q5r s SER -41 Ca 0.08 -0.55 -0.03 0.00 0.70 0.00 0.00 55.95 56.15 1q5r s SER -41 Cb -0.04 -1.92 0.41 0.00 -1.71 0.00 0.00 66.02 62.76 1q5r s SER -41 CO 0.10 -0.16 1.85 0.15 1.20 0.00 0.00 173.24 176.38 1q5r h PHE -40 N 8.26 1.04 0.20 3.44 3.57 -1.89 -1.67 116.94 129.89 1q5r h PHE -40 Ca -0.33 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.21 1q5r h PHE -40 Cb 1.14 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 1q5r h PHE -40 CO 0.63 0.48 -0.29 1.15 -2.23 0.00 0.00 178.31 178.06 1q5r h THR -39 N 0.98 0.39 -0.43 4.41 2.02 -1.93 -0.94 112.91 117.41 1q5r h THR -39 Ca 0.42 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.72 1q5r h THR -39 Cb 0.28 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1q5r h THR -39 CO -0.21 0.00 0.36 -0.78 0.37 0.00 0.00 175.52 175.26 1q5r h ASP -38 N -0.55 0.00 0.13 4.18 3.58 -1.81 0.11 116.42 122.05 1q5r h ASP -38 Ca 0.01 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 1q5r h ASP -38 Cb 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1q5r h ASP -38 CO -0.12 0.00 -0.06 0.22 -2.88 0.00 0.00 179.24 176.40 1q5r h TYR -37 N 0.00 -0.16 -0.84 0.28 3.20 -0.31 -3.10 116.97 116.05 1q5r h TYR -37 Ca 0.20 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.14 1q5r h TYR -37 Cb 0.93 0.05 -0.07 0.00 1.54 0.00 0.00 36.73 39.18 1q5r h TYR -37 CO 0.00 0.25 0.50 -0.07 -1.64 0.00 0.00 178.16 177.20 1q5r h LEU -36 N -0.62 0.76 -1.87 2.82 3.38 -0.21 -0.55 115.31 119.02 1q5r h LEU -36 Ca -0.02 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.15 1q5r h LEU -36 Cb 0.48 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1q5r h LEU -36 CO 0.03 0.46 0.58 -0.09 0.09 0.00 0.00 178.44 179.51 1q5r h ARG -35 N 0.88 0.00 0.00 1.13 9.65 -0.82 0.31 114.38 125.54 1q5r h ARG -35 Ca 0.38 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.26 1q5r h ARG -35 Cb 0.25 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 1q5r h ARG -35 CO -0.20 0.00 -0.05 0.41 2.80 0.00 0.00 179.97 182.92 1q5r n GLY -34 N -1.55 2.56 0.00 2.80 0.00 -0.29 -4.57 105.19 104.14 1q5r n GLY -34 Ca 0.11 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.69 0.00 -2.74 1.61 8.25 -0.71 -4.96 115.22 115.97 1q5r n HIS -33 Ca 0.05 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.42 1q5r n HIS -33 Cb 0.46 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.66 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 -0.66 -0.31 -1.41 0.00 0.98 -5.00 120.51 114.11 1q5r n ALA -32 Ca 0.00 -1.51 0.29 0.00 0.00 0.00 0.00 53.44 52.22 1q5r n ALA -32 Cb 0.00 -1.15 0.63 0.00 0.00 0.00 0.00 19.45 18.93 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 2.97 0.19 -0.63 0.00 0.11 -1.47 -1.00 132.00 132.18 1q5r h PRO -31 Ca -0.10 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 66.15 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 0.13 0.44 1.05 -0.21 0.00 0.00 178.00 179.54 1q5r h GLU -30 N 0.20 0.17 0.00 1.05 9.09 -1.90 -1.34 114.58 121.85 1q5r h GLU -30 Ca 0.57 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.97 1q5r h GLU -30 Cb 1.85 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.91 1q5r h GLU -30 CO -0.16 0.11 0.00 1.28 0.05 0.00 0.00 179.01 180.29 1q5r n LEU -29 N -4.42 0.44 -4.84 3.06 4.77 -0.38 -4.83 117.00 110.80 1q5r n LEU -29 Ca 0.12 0.56 -0.32 0.00 -0.03 0.00 0.00 56.01 56.34 1q5r n LEU -29 Cb 0.58 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 1q5r n LEU -29 CO 0.35 -0.23 0.65 -0.76 -1.33 0.00 0.00 177.39 176.07 1q5r s LEU -28 N -3.87 3.74 0.15 2.23 1.43 -0.51 -4.98 118.68 116.88 1q5r s LEU -28 Ca 0.10 1.57 -0.13 0.00 -1.03 0.00 0.00 54.13 54.63 1q5r s LEU -28 Cb 0.13 -4.47 0.04 0.00 0.03 0.00 0.00 46.19 41.92 1q5r s LEU -28 CO 0.48 -0.50 1.66 -0.65 0.23 0.00 0.00 176.35 177.58 1q5r h PRO -27 N 1.27 0.83 -1.13 1.29 0.11 -1.88 -3.02 132.00 129.46 1q5r h PRO -27 Ca -0.47 -0.20 0.41 0.00 0.11 0.00 0.00 66.00 65.85 1q5r h PRO -27 Cb 1.18 -0.11 -0.15 0.00 0.11 0.00 0.00 31.00 32.03 1q5r h PRO -27 CO 0.62 0.79 0.67 0.93 -0.21 0.00 0.00 178.00 180.79 1q5r h GLU -26 N 0.72 0.10 -4.38 1.05 5.08 -1.92 -3.33 114.58 111.91 1q5r h GLU -26 Ca 0.16 -0.01 -0.73 0.00 -1.00 0.00 0.00 59.36 57.79 1q5r h GLU -26 Cb 0.33 -0.02 -0.25 0.00 0.50 0.00 0.00 28.75 29.30 1q5r h GLU -26 CO 0.00 0.07 -0.40 -0.80 -1.00 0.00 0.00 179.01 176.88 1q5r s ASN -25 N -4.59 5.89 0.00 1.42 -0.87 -1.14 -5.00 114.94 110.65 1q5r s ASN -25 Ca -0.09 -1.42 0.00 0.00 -1.57 0.00 0.00 52.86 49.79 1q5r s ASN -25 Cb 0.32 -2.08 0.00 0.00 -0.02 0.00 0.00 41.25 39.46 1q5r s ASN -25 CO 0.80 -0.59 0.00 -1.14 -2.57 0.00 0.00 177.10 173.60 1q5r n ARG -24 N 5.06 0.00 -2.60 -0.60 0.63 -1.25 -4.77 116.66 113.12 1q5r n ARG -24 Ca -0.11 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.39 1q5r n ARG -24 Cb 0.43 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.32 1q5r n ARG -24 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1q5r s ASP -6 N -4.00 7.19 0.00 6.15 -1.08 -1.26 -4.92 116.67 118.75 1q5r s ASP -6 Ca 0.00 1.67 0.17 0.00 -0.52 0.00 0.00 52.55 53.87 1q5r s ASP -6 Cb 0.00 -2.56 0.10 0.00 -1.46 0.00 0.00 42.92 39.00 1q5r s ASP -6 CO 0.00 -0.46 1.00 0.00 0.52 0.00 0.00 175.17 176.22 1q5r n LEU -5 N 4.82 2.24 -3.62 -1.34 -0.00 -1.26 -4.63 117.00 113.21 1q5r n LEU -5 Ca 0.09 -0.95 -0.16 0.00 -0.00 0.00 0.00 56.01 54.99 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 0.40 0.28 0.00 -0.00 0.00 0.00 177.39 178.60 1q5r s ALA -4 N -1.52 -1.39 0.42 1.47 0.00 -1.26 -5.15 121.76 114.34 1q5r s ALA -4 Ca 0.18 0.98 -0.24 0.00 0.00 0.00 0.00 51.96 52.88 1q5r s ALA -4 Cb 0.14 -0.03 -0.11 0.00 0.00 0.00 0.00 23.12 23.12 1q5r s ALA -4 CO 0.25 -0.32 0.93 -2.30 0.00 0.00 0.00 175.76 174.32 1q5r n PRO -3 N 1.16 1.18 -4.29 0.00 -0.02 -1.26 -4.79 135.00 126.97 1q5r n PRO -3 Ca -0.20 0.43 -0.22 0.00 -2.02 0.00 0.00 63.50 61.49 1q5r n PRO -3 Cb 0.57 -1.94 -0.13 0.00 -0.02 0.00 0.00 33.50 31.98 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 -1.31 1.56 0.24 6.00 -3.43 1.00 -1.25 115.29 118.10 1q5r s HIS -2 Ca 0.64 -0.42 -0.09 0.00 -0.80 0.00 0.00 55.06 54.38 1q5r s HIS -2 Cb -0.57 -0.87 -0.07 0.00 -1.43 0.00 0.00 32.58 29.63 1q5r s HIS -2 CO 0.57 0.13 -0.04 0.41 -2.00 0.00 0.00 174.74 173.81 1q5r n GLY -1 N 1.30 -1.55 3.99 -1.38 0.00 1.28 -3.38 105.19 105.45 1q5r n GLY -1 Ca -0.20 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.97 2.55 0.22 2.61 -4.23 -1.26 -4.34 115.64 110.22 1q5r s THR 1 Ca 0.28 -0.71 -0.30 0.00 -1.18 0.00 0.00 61.69 59.78 1q5r s THR 1 Cb -0.26 -2.83 -0.08 0.00 1.34 0.00 0.00 72.50 70.67 1q5r s THR 1 CO 0.32 0.00 1.04 -0.89 -0.54 0.00 0.00 174.62 174.55 1q5r s THR 2 N -2.79 3.88 -0.03 3.99 2.01 -1.26 -4.43 115.64 117.01 1q5r s THR 2 Ca 0.59 1.77 0.01 0.00 0.31 0.00 0.00 61.69 64.37 1q5r s THR 2 Cb -0.09 -4.13 0.02 0.00 0.01 0.00 0.00 72.50 68.31 1q5r s THR 2 CO 0.39 0.37 -0.03 -0.63 -0.69 0.00 0.00 174.62 174.03 1q5r s ILE 3 N -0.77 0.37 -0.00 1.82 1.01 0.30 -1.24 121.20 122.69 1q5r s ILE 3 Ca 0.45 -0.08 0.06 0.00 0.00 0.00 0.00 60.65 61.08 1q5r s ILE 3 Cb -0.28 -0.39 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 1q5r s ILE 3 CO 0.35 0.16 -0.18 -0.69 0.00 0.00 0.00 174.94 174.58 1q5r s VAL 4 N 0.59 2.78 -0.08 2.92 1.01 0.33 -1.34 120.40 126.61 1q5r s VAL 4 Ca -0.07 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.92 1q5r s VAL 4 Cb -0.10 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.19 1q5r s VAL 4 CO -0.01 0.47 -0.09 0.00 0.00 0.00 0.00 175.10 175.47 1q5r s ALA 5 N -0.81 1.17 0.06 5.51 0.00 0.41 -0.92 121.76 127.19 1q5r s ALA 5 Ca 0.13 -0.39 0.08 0.00 0.00 0.00 0.00 51.96 51.78 1q5r s ALA 5 Cb -0.10 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 1q5r s ALA 5 CO 0.03 -0.08 -0.21 -0.51 0.00 0.00 0.00 175.76 174.98 1q5r s LEU 6 N 1.06 2.21 -0.06 0.00 1.02 -0.92 -0.96 118.68 121.02 1q5r s LEU 6 Ca -0.08 -0.57 -0.02 0.00 0.02 0.00 0.00 54.13 53.48 1q5r s LEU 6 Cb -0.14 -0.97 -0.04 0.00 0.02 0.00 0.00 46.19 45.06 1q5r s LEU 6 CO -0.01 0.14 0.05 0.28 0.02 0.00 0.00 176.35 176.83 1q5r s THR 7 N -0.90 4.65 0.32 5.49 -1.32 0.48 -1.06 115.64 123.30 1q5r s THR 7 Ca 0.08 -0.23 -0.15 0.00 -1.21 0.00 0.00 61.69 60.17 1q5r s THR 7 Cb -0.09 -3.03 0.03 0.00 -1.51 0.00 0.00 72.50 67.89 1q5r s THR 7 CO 0.03 0.52 0.67 -0.72 -2.21 0.00 0.00 174.62 172.90 1q5r s TYR 8 N -1.02 0.17 0.00 9.09 -0.85 -0.51 -4.76 117.35 119.48 1q5r s TYR 8 Ca 0.17 -0.66 0.00 0.00 -0.52 0.00 0.00 57.07 56.06 1q5r s TYR 8 Cb -0.12 0.56 0.00 0.00 0.38 0.00 0.00 41.96 42.78 1q5r s TYR 8 CO 0.07 -1.29 0.42 1.17 -1.52 0.00 0.00 175.55 174.39 1q5r n LYS 9 N -0.48 0.00 0.00 -3.49 3.00 -1.12 -3.19 118.16 112.88 1q5r n LYS 9 Ca -0.04 0.42 0.00 0.00 -0.00 0.00 0.00 58.31 58.68 1q5r n LYS 9 Cb 0.60 -0.69 0.00 0.00 0.00 0.00 0.00 35.03 34.94 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 -2.89 0.00 3.14 0.00 -1.26 -4.47 105.19 98.81 1q5r n GLY 10 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.53 4.08 3.27 -0.02 0.00 -1.19 -4.68 105.19 106.12 1q5r n GLY 11 Ca 0.00 -0.50 -0.15 0.00 0.00 0.00 0.00 46.02 45.38 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 3.68 0.55 0.08 1.61 -7.23 -0.59 -1.42 120.40 117.08 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 -2.40 -0.01 0.00 0.56 0.00 0.00 36.38 34.53 1q5r s VAL 12 CO 0.00 -0.20 0.16 -1.48 -0.31 0.00 0.00 175.10 173.27 1q5r s LEU 13 N -3.24 1.55 -0.03 1.32 0.05 -0.22 -0.62 118.68 117.49 1q5r s LEU 13 Ca 0.32 -0.68 0.03 0.00 0.05 0.00 0.00 54.13 53.85 1q5r s LEU 13 Cb 0.07 0.93 -0.00 0.00 -2.05 0.00 0.00 46.19 45.14 1q5r s LEU 13 CO 0.09 -0.70 -0.11 -0.76 -0.55 0.00 0.00 176.35 174.32 1q5r s LEU 14 N -2.82 1.86 -0.03 1.48 1.43 0.30 -2.16 118.68 118.74 1q5r s LEU 14 Ca 0.05 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1q5r s LEU 14 Cb 0.05 -0.64 0.01 0.00 0.03 0.00 0.00 46.19 45.64 1q5r s LEU 14 CO -0.11 0.10 -0.05 0.00 0.23 0.00 0.00 176.35 176.52 1q5r s ALA 15 N 0.07 0.61 0.10 4.21 0.00 -0.10 -0.67 121.76 125.99 1q5r s ALA 15 Ca -0.02 -0.12 0.06 0.00 0.00 0.00 0.00 51.96 51.88 1q5r s ALA 15 Cb -0.08 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1q5r s ALA 15 CO 0.01 0.05 -0.14 0.20 0.00 0.00 0.00 175.76 175.87 1q5r s GLY 16 N 0.52 1.01 0.72 0.00 0.00 0.13 -0.51 107.32 109.18 1q5r s GLY 16 Ca -0.07 -1.19 -0.12 0.00 0.00 0.00 0.00 44.72 43.34 1q5r s GLY 16 CO 0.00 -1.24 0.73 1.34 0.00 0.00 0.00 173.10 173.93 1q5r n ASP 17 N 0.79 -1.10 0.00 1.64 4.64 -0.38 -1.23 116.55 120.91 1q5r n ASP 17 Ca -0.17 -1.04 0.00 0.00 -1.38 0.00 0.00 54.79 52.19 1q5r n ASP 17 Cb 0.56 -0.63 0.00 0.00 -1.04 0.00 0.00 41.12 40.01 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 -3.31 -0.46 -2.81 -0.67 5.12 -1.26 -4.40 116.66 108.87 1q5r n ARG 18 Ca 0.10 -0.31 -0.42 0.00 -1.93 0.00 0.00 57.85 55.28 1q5r n ARG 18 Cb 0.37 -0.81 -0.04 0.00 -1.16 0.00 0.00 32.46 30.82 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 -0.02 4.04 -0.18 5.56 6.06 -1.26 -1.87 118.95 131.27 1q5r s ARG 19 Ca 0.00 0.85 -0.02 0.00 -2.50 0.00 0.00 55.73 54.05 1q5r s ARG 19 Cb 0.00 -3.72 -0.01 0.00 0.06 0.00 0.00 34.95 31.28 1q5r s ARG 19 CO 0.00 -0.74 -0.08 0.00 -2.50 0.00 0.00 175.30 171.98 1q5r s ALA 20 N 3.21 2.76 0.12 6.12 0.00 -0.12 -4.41 121.76 129.43 1q5r s ALA 20 Ca 0.38 -1.04 0.09 0.00 0.00 0.00 0.00 51.96 51.39 1q5r s ALA 20 Cb -0.14 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 1q5r s ALA 20 CO 0.12 -0.14 -0.19 -0.08 0.00 0.00 0.00 175.76 175.47 1q5r s THR 21 N 0.99 2.77 -0.31 0.00 -1.32 -1.22 0.81 115.64 117.36 1q5r s THR 21 Ca -0.01 -1.54 -0.02 0.00 -1.21 0.00 0.00 61.69 58.91 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 -0.00 0.10 0.16 -1.58 -2.21 0.00 0.00 174.62 171.08 1q5r s GLN 22 N -2.13 0.34 3.34 7.08 0.74 0.03 -0.00 119.66 129.06 1q5r s GLN 22 Ca 0.17 -0.83 0.00 0.00 0.05 0.00 0.00 55.36 54.75 1q5r s GLN 22 Cb -0.10 -1.26 0.00 0.00 1.10 0.00 0.00 33.01 32.74 1q5r s GLN 22 CO 0.10 -1.08 0.00 0.41 -0.55 0.00 0.00 175.29 174.17 1q5r n GLY 23 N 4.82 0.57 0.90 2.59 0.00 -1.26 -2.89 105.19 109.93 1q5r n GLY 23 Ca 0.00 -1.04 0.12 0.00 0.00 0.00 0.00 46.02 45.10 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 3.77 2.88 -4.84 1.61 6.94 -1.26 -4.95 115.26 119.41 1q5r n ASN 24 Ca 0.00 -1.94 -0.34 0.00 -0.02 0.00 0.00 54.58 52.29 1q5r n ASN 24 Cb 0.00 0.04 -0.06 0.00 -2.36 0.00 0.00 39.78 37.40 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 -2.00 4.15 -0.24 -4.53 1.43 -1.14 -5.03 118.68 111.31 1q5r s LEU 25 Ca 0.27 1.31 -0.19 0.00 -1.03 0.00 0.00 54.13 54.48 1q5r s LEU 25 Cb 0.19 -3.92 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 1q5r s LEU 25 CO 0.32 -0.13 0.57 -0.63 0.23 0.00 0.00 176.35 176.70 1q5r s ILE 26 N -1.84 5.04 -0.13 -0.59 1.01 -1.26 -0.79 121.20 122.64 1q5r s ILE 26 Ca 0.51 1.01 0.09 0.00 0.00 0.00 0.00 60.65 62.25 1q5r s ILE 26 Cb -0.12 -3.88 -0.23 0.00 0.01 0.00 0.00 42.46 38.24 1q5r s ILE 26 CO 0.18 0.08 0.33 0.00 0.00 0.00 0.00 174.94 175.54 1q5r n ALA 27 N 5.44 1.37 -3.34 9.38 0.00 0.24 -4.91 120.51 128.69 1q5r n ALA 27 Ca -0.03 -0.93 -0.15 0.00 0.00 0.00 0.00 53.44 52.34 1q5r n ALA 27 Cb 0.50 -0.54 -0.08 0.00 0.00 0.00 0.00 19.45 19.32 1q5r n ALA 27 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1q5r s SER 28 N -6.17 -0.37 -0.04 0.00 0.15 -0.86 -4.97 113.70 101.44 1q5r s SER 28 Ca -0.13 0.37 0.06 0.00 0.70 0.00 0.00 55.95 56.95 1q5r s SER 28 Cb 0.07 0.45 0.09 0.00 -1.71 0.00 0.00 66.02 64.93 1q5r s SER 28 CO 0.79 -0.47 0.96 -1.14 1.20 0.00 0.00 173.24 174.58 1q5r n ARG 29 N 1.33 1.39 -2.51 5.44 0.63 -1.25 -0.95 116.66 120.74 1q5r n ARG 29 Ca -0.20 -1.57 -0.01 0.00 -0.92 0.00 0.00 57.85 55.16 1q5r n ARG 29 Cb 0.56 -0.98 0.04 0.00 0.45 0.00 0.00 32.46 32.54 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 -0.62 1.66 -4.70 6.15 3.85 -1.14 -4.70 116.55 117.05 1q5r n ASP 30 Ca 0.05 -2.14 -0.42 0.00 -0.71 0.00 0.00 54.79 51.57 1q5r n ASP 30 Cb 0.50 -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 -0.78 -4.99 120.40 118.44 1q5r s VAL 31 Ca 0.30 1.64 -0.20 0.00 0.00 0.00 0.00 61.98 63.72 1q5r s VAL 31 Cb 0.34 -4.05 0.05 0.00 0.00 0.00 0.00 36.38 32.71 1q5r s VAL 31 CO -0.06 0.07 0.65 -0.70 0.00 0.00 0.00 175.10 175.06 1q5r s GLU 32 N 1.59 3.18 0.00 2.72 2.12 -1.26 -4.28 118.70 122.77 1q5r s GLU 32 Ca 0.56 -0.69 0.23 0.00 0.36 0.00 0.00 54.97 55.43 1q5r s GLU 32 Cb -0.25 -4.05 0.07 0.00 0.26 0.00 0.00 34.13 30.16 1q5r s GLU 32 CO 0.25 -1.17 1.11 0.00 -0.54 0.00 0.00 175.26 174.91 1q5r n ALA 33 N 6.29 4.23 -2.85 6.30 0.00 -1.26 -4.88 120.51 128.34 1q5r n ALA 33 Ca -0.04 -0.49 -0.34 0.00 0.00 0.00 0.00 53.44 52.56 1q5r n ALA 33 Cb 0.46 -0.92 -0.11 0.00 0.00 0.00 0.00 19.45 18.88 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 -3.01 4.02 0.07 0.00 -7.23 -1.26 -3.26 120.40 109.73 1q5r s VAL 34 Ca 0.09 -0.33 0.06 0.00 -1.81 0.00 0.00 61.98 60.00 1q5r s VAL 34 Cb 0.17 -2.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 1q5r s VAL 34 CO 0.80 0.52 -0.17 -0.31 -0.31 0.00 0.00 175.10 175.63 1q5r s TYR 35 N 0.01 1.46 -0.48 2.82 1.51 -0.66 -5.00 117.35 117.01 1q5r s TYR 35 Ca 0.01 -0.41 -0.23 0.00 -1.01 0.00 0.00 57.07 55.43 1q5r s TYR 35 Cb -0.13 -0.83 0.03 0.00 -0.11 0.00 0.00 41.96 40.93 1q5r s TYR 35 CO 0.02 0.10 0.82 0.08 -1.11 0.00 0.00 175.55 175.47 1q5r s VAL 36 N -1.09 4.59 0.01 0.71 1.01 -1.26 -1.53 120.40 122.84 1q5r s VAL 36 Ca 0.02 0.33 0.12 0.00 0.00 0.00 0.00 61.98 62.45 1q5r s VAL 36 Cb -0.09 -4.39 -0.05 0.00 0.00 0.00 0.00 36.38 31.85 1q5r s VAL 36 CO 0.03 -0.84 1.40 0.71 0.00 0.00 0.00 175.10 176.40 1q5r h THR 37 N 5.99 1.27 -1.45 3.92 1.35 -1.61 -3.48 112.91 118.89 1q5r h THR 37 Ca -0.25 -2.69 0.16 0.00 -0.55 0.00 0.00 66.41 63.08 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 1.00 0.70 0.70 -0.62 -0.25 0.00 0.00 175.52 177.05 1q5r s ASP 38 N -6.59 -0.24 0.05 5.36 2.15 -0.75 -4.64 116.67 112.02 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 0.13 0.00 -0.30 0.00 0.00 42.92 43.05 1q5r s ASP 38 CO 0.77 -0.25 0.27 1.21 -0.17 0.00 0.00 175.17 177.00 1q5r n GLU 39 N 0.48 -0.01 -2.24 4.34 4.07 -1.26 -0.42 120.64 125.59 1q5r n GLU 39 Ca -0.06 0.26 -0.22 0.00 -0.06 0.00 0.00 57.16 57.08 1q5r n GLU 39 Cb 0.58 -0.41 0.02 0.00 -0.06 0.00 0.00 31.44 31.57 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 -3.98 2.74 -3.63 4.31 4.02 -1.26 -1.11 117.16 118.25 1q5r n TYR 40 Ca 0.04 -2.48 -0.06 0.00 -0.01 0.00 0.00 57.90 55.39 1q5r n TYR 40 Cb 0.13 -0.26 -0.06 0.00 -0.02 0.00 0.00 39.34 39.13 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 -0.25 0.11 7.72 1.04 0.44 -1.67 113.70 117.50 1q5r s SER 41 Ca 0.47 0.43 -0.01 0.00 0.48 0.00 0.00 55.95 57.32 1q5r s SER 41 Cb 0.40 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.89 1q5r s SER 41 CO -0.03 -0.13 0.03 0.00 0.98 0.00 0.00 173.24 174.10 1q5r s ALA 42 N -0.25 0.81 -0.03 5.32 0.00 -0.34 -1.56 121.76 125.72 1q5r s ALA 42 Ca 0.04 -1.42 -0.19 0.00 0.00 0.00 0.00 51.96 50.40 1q5r s ALA 42 Cb -0.04 0.71 0.03 0.00 0.00 0.00 0.00 23.12 23.83 1q5r s ALA 42 CO -0.08 -0.45 0.40 0.00 0.00 0.00 0.00 175.76 175.63 1q5r s ALA 43 N -4.00 -1.02 0.11 0.00 0.00 -0.58 -0.89 121.76 115.38 1q5r s ALA 43 Ca 0.20 0.58 0.09 0.00 0.00 0.00 0.00 51.96 52.83 1q5r s ALA 43 Cb 0.07 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1q5r s ALA 43 CO -0.01 -0.28 -0.21 0.20 0.00 0.00 0.00 175.76 175.46 1q5r s GLY 44 N -1.25 1.64 -0.06 0.00 0.00 -0.40 -1.66 107.32 105.59 1q5r s GLY 44 Ca -0.13 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.23 1q5r s GLY 44 CO 0.05 -1.33 -0.04 -0.42 0.00 0.00 0.00 173.10 171.37 1q5r s ILE 45 N -1.08 0.57 0.03 0.90 1.01 -1.20 -0.27 121.20 121.16 1q5r s ILE 45 Ca 0.16 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.75 1q5r s ILE 45 Cb -0.10 -0.62 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 1q5r s ILE 45 CO 0.08 0.25 -0.03 0.00 0.00 0.00 0.00 174.94 175.25 1q5r s ALA 46 N 1.23 3.19 0.00 9.38 0.00 -0.56 -4.51 121.76 130.49 1q5r s ALA 46 Ca -0.06 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.86 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 -0.02 0.65 0.00 0.41 0.00 0.00 0.00 175.76 176.81 1q5r n GLY 47 N 1.15 0.73 3.45 0.00 0.00 -1.26 -0.39 105.19 108.86 1q5r n GLY 47 Ca -0.14 -2.11 -0.48 0.00 0.00 0.00 0.00 46.02 43.29 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 3.84 0.11 -0.27 2.61 -1.04 -0.92 0.39 114.28 119.00 1q5r n THR 48 Ca 0.00 -0.27 -0.05 0.00 -2.04 0.00 0.00 64.05 61.69 1q5r n THR 48 Cb 0.00 -1.53 -0.00 0.00 -1.82 0.00 0.00 70.33 66.98 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 13.00 -0.09 -0.17 2.41 0.00 -1.48 -0.06 119.26 132.88 1q5r h ALA 49 Ca -0.22 0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1q5r h ALA 49 Cb 1.32 0.94 -0.07 0.00 0.00 0.00 0.00 17.79 19.98 1q5r h ALA 49 CO 1.10 -0.72 -0.43 0.78 0.00 0.00 0.00 179.25 179.98 1q5r h GLY 50 N -0.12 -0.72 0.54 0.00 0.00 -1.87 -0.10 103.07 100.79 1q5r h GLY 50 Ca 0.25 0.54 0.05 0.00 0.00 0.00 0.00 47.33 48.16 1q5r h GLY 50 CO -0.79 -0.21 -0.05 -2.22 0.00 0.00 0.00 176.54 173.27 1q5r h ILE 51 N -0.47 0.77 -0.28 2.60 1.08 -1.74 -2.68 117.51 116.78 1q5r h ILE 51 Ca 0.08 -0.01 0.07 0.00 -0.39 0.00 0.00 64.86 64.61 1q5r h ILE 51 Cb 0.62 0.75 -0.08 0.00 -3.07 0.00 0.00 36.82 35.05 1q5r h ILE 51 CO -0.43 0.00 -0.26 0.00 -0.69 0.00 0.00 178.15 176.77 1q5r h ALA 52 N 1.24 -0.13 0.11 1.87 0.00 -0.31 -0.08 119.26 121.95 1q5r h ALA 52 Ca 0.12 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1q5r h ALA 52 Cb 0.17 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1q5r h ALA 52 CO -0.24 -0.68 -0.46 0.82 0.00 0.00 0.00 179.25 178.70 1q5r h ILE 53 N -0.25 0.10 -0.52 0.00 2.04 -0.83 -1.20 117.51 116.85 1q5r h ILE 53 Ca 0.15 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.11 1q5r h ILE 53 Cb 0.48 0.10 -0.08 0.00 -0.74 0.00 0.00 36.82 36.58 1q5r h ILE 53 CO -0.43 0.00 0.04 -0.08 0.00 0.00 0.00 178.15 177.68 1q5r h GLU 54 N -0.68 0.15 -0.06 2.37 4.81 -1.16 -2.04 114.58 117.98 1q5r h GLU 54 Ca 0.02 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1q5r h GLU 54 Cb 0.71 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 1q5r h GLU 54 CO -0.27 0.10 -0.15 1.25 -0.73 0.00 0.00 179.01 179.22 1q5r h LEU 55 N 0.16 -0.44 -1.01 1.64 5.85 -0.41 -1.89 115.31 119.21 1q5r h LEU 55 Ca 0.26 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 1q5r h LEU 55 Cb 0.39 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 1q5r h LEU 55 CO -0.40 -0.20 0.41 1.62 -0.34 0.00 0.00 178.44 179.53 1q5r h VAL 56 N -0.21 1.24 0.55 1.05 3.04 -0.87 -1.26 116.25 119.78 1q5r h VAL 56 Ca 0.07 -0.62 -0.02 0.00 -1.01 0.00 0.00 66.70 65.12 1q5r h VAL 56 Cb 0.31 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 29.77 1q5r h VAL 56 CO -0.19 0.27 -0.40 -0.09 -1.01 0.00 0.00 177.57 176.16 1q5r h ARG 57 N 1.11 -0.88 -0.65 4.17 2.43 -1.05 -1.01 114.38 118.50 1q5r h ARG 57 Ca 0.28 0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.62 1q5r h ARG 57 Cb 0.06 0.20 -0.09 0.00 -0.42 0.00 0.00 29.97 29.73 1q5r h ARG 57 CO -0.04 -0.59 0.20 1.25 -1.51 0.00 0.00 179.97 179.28 1q5r h LEU 58 N -0.92 0.14 -0.78 3.80 5.85 -1.21 -0.88 115.31 121.31 1q5r h LEU 58 Ca -0.06 0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.85 1q5r h LEU 58 Cb 0.77 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.84 1q5r h LEU 58 CO 0.02 0.07 0.43 0.15 -0.34 0.00 0.00 178.44 178.78 1q5r h PHE 59 N 0.35 0.79 0.75 1.25 3.57 -0.68 0.24 116.94 123.21 1q5r h PHE 59 Ca 0.34 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.83 1q5r h PHE 59 Cb 0.49 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 39.00 1q5r h PHE 59 CO -0.20 0.32 -0.36 0.00 -2.23 0.00 0.00 178.31 175.83 1q5r h ALA 60 N 1.44 -1.01 -0.90 2.41 0.00 0.12 -1.90 119.26 119.41 1q5r h ALA 60 Ca 0.38 -0.23 0.18 0.00 0.00 0.00 0.00 54.91 55.24 1q5r h ALA 60 Cb 0.34 0.39 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 1q5r h ALA 60 CO -0.24 -1.00 0.47 0.28 0.00 0.00 0.00 179.25 178.75 1q5r h VAL 61 N -1.13 0.64 -0.19 0.00 2.07 -0.86 -0.28 116.25 116.49 1q5r h VAL 61 Ca -0.10 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.27 1q5r h VAL 61 Cb 0.79 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 1q5r h VAL 61 CO 0.17 0.11 -0.31 -0.33 0.02 0.00 0.00 177.57 177.22 1q5r h GLU 62 N 0.58 -0.34 0.33 1.57 4.39 -0.13 0.13 114.58 121.11 1q5r h GLU 62 Ca 0.53 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.23 1q5r h GLU 62 Cb 0.86 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1q5r h GLU 62 CO -0.42 -0.23 -0.16 -0.07 -1.16 0.00 0.00 179.01 176.97 1q5r h LEU 63 N -0.35 -0.37 -0.64 1.33 3.38 -0.39 -2.64 115.31 115.64 1q5r h LEU 63 Ca 0.11 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1q5r h LEU 63 Cb 0.53 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 1q5r h LEU 63 CO -0.39 -0.20 0.38 -0.08 0.09 0.00 0.00 178.44 178.24 1q5r h GLU 64 N -0.52 0.71 -0.52 1.13 4.81 -0.83 -2.41 114.58 116.95 1q5r h GLU 64 Ca -0.04 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1q5r h GLU 64 Cb 0.39 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1q5r h GLU 64 CO 0.07 0.47 0.29 1.25 -0.73 0.00 0.00 179.01 180.37 1q5r h HIS 65 N 0.73 0.71 -0.88 0.92 2.76 -0.79 -0.91 115.15 117.70 1q5r h HIS 65 Ca 0.26 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.54 1q5r h HIS 65 Cb 0.07 -0.23 -0.08 0.00 1.55 0.00 0.00 27.41 28.72 1q5r h HIS 65 CO -0.06 0.52 0.51 -0.92 -1.30 0.00 0.00 177.93 176.67 1q5r h TYR 66 N 0.70 0.91 0.38 5.26 3.20 -1.05 -0.31 116.97 126.05 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 0.04 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.04 1q5r h TYR 66 CO -0.02 0.33 -0.18 1.49 -1.64 0.00 0.00 178.16 178.14 1q5r h GLU 67 N 0.80 -0.49 -0.30 1.82 4.81 -1.07 0.10 114.58 120.26 1q5r h GLU 67 Ca 0.44 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.79 1q5r h GLU 67 Cb 0.48 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 1q5r h GLU 67 CO -0.28 -0.17 0.37 0.87 -0.73 0.00 0.00 179.01 179.06 1q5r h LYS 68 N -0.87 0.00 0.00 1.92 1.57 -0.76 0.87 116.57 119.31 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 0.54 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 1q5r h LYS 68 CO 0.08 0.00 -0.40 0.82 -0.57 0.00 0.00 179.45 179.39 1q5r h ILE 69 N 0.00 0.18 0.00 1.86 1.08 -0.73 -3.38 117.51 116.52 1q5r h ILE 69 Ca 0.14 -1.19 0.00 0.00 -0.39 0.00 0.00 64.86 63.43 1q5r h ILE 69 Cb 0.87 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 35.02 1q5r h ILE 69 CO -0.00 0.06 0.00 -0.62 -0.69 0.00 0.00 178.15 176.90 1q5r n GLU 70 N -4.65 0.15 -0.92 2.37 -0.58 0.33 -4.90 120.64 112.44 1q5r n GLU 70 Ca -0.08 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 1q5r n GLU 70 Cb 0.23 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 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 0.77 0.72 3.10 0.62 0.00 0.30 -4.97 105.19 105.73 1q5r n GLY 71 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.09 0.49 0.60 1.61 1.01 -1.23 -5.00 120.40 114.78 1q5r s VAL 72 Ca 0.00 -1.58 -0.04 0.00 0.00 0.00 0.00 61.98 60.36 1q5r s VAL 72 Cb 0.00 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 35.19 1q5r s VAL 72 CO 0.00 -0.73 0.88 -2.16 0.00 0.00 0.00 175.10 173.08 1q5r s PRO 73 N -3.02 2.64 0.47 2.72 0.04 -1.26 -3.74 135.00 132.85 1q5r s PRO 73 Ca 0.02 -0.31 -0.19 0.00 0.04 0.00 0.00 61.00 60.56 1q5r s PRO 73 Cb 0.00 -2.33 -0.09 0.00 0.04 0.00 0.00 34.50 32.12 1q5r s PRO 73 CO -0.04 -0.80 0.97 -0.51 0.04 0.00 0.00 177.00 176.65 1q5r s LEU 74 N -4.96 3.80 0.82 -3.56 1.43 -1.26 -5.00 118.68 109.94 1q5r s LEU 74 Ca 0.56 1.65 -0.12 0.00 -1.03 0.00 0.00 54.13 55.19 1q5r s LEU 74 Cb -0.10 -4.53 0.09 0.00 0.03 0.00 0.00 46.19 41.68 1q5r s LEU 74 CO 0.43 -0.48 1.14 -0.89 0.23 0.00 0.00 176.35 176.78 1q5r s THR 75 N -2.36 2.52 0.10 5.49 2.01 -1.26 -4.73 115.64 117.41 1q5r s THR 75 Ca 0.61 0.19 -0.22 0.00 0.31 0.00 0.00 61.69 62.58 1q5r s THR 75 Cb -0.10 -2.49 -0.10 0.00 0.01 0.00 0.00 72.50 69.81 1q5r s THR 75 CO 0.21 -0.20 1.73 0.15 -0.69 0.00 0.00 174.62 175.82 1q5r h PHE 76 N -1.19 -0.04 -1.00 4.92 3.57 -1.95 0.78 116.94 122.03 1q5r h PHE 76 Ca -0.44 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.15 1q5r h PHE 76 Cb 1.26 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.96 1q5r h PHE 76 CO 0.52 -0.03 0.64 -0.44 -2.23 0.00 0.00 178.31 176.77 1q5r h ASP 77 N 0.00 0.99 -0.37 0.41 5.19 -1.99 0.20 116.42 120.85 1q5r h ASP 77 Ca 0.04 0.02 0.03 0.00 -0.62 0.00 0.00 57.03 56.50 1q5r h ASP 77 Cb 0.05 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 39.35 1q5r h ASP 77 CO -0.08 0.59 0.18 1.23 -3.12 0.00 0.00 179.24 178.05 1q5r h GLY 78 N 1.10 0.50 1.13 2.75 0.00 -1.63 0.29 103.07 107.21 1q5r h GLY 78 Ca 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 1q5r h GLY 78 CO -0.21 0.09 0.50 0.50 0.00 0.00 0.00 176.54 177.42 1q5r h LYS 79 N 0.37 1.15 -0.36 4.80 1.57 0.14 -1.76 116.57 122.48 1q5r h LYS 79 Ca 0.16 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.69 1q5r h LYS 79 Cb 0.08 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1q5r h LYS 79 CO -0.12 0.82 -0.34 0.00 -0.57 0.00 0.00 179.45 179.23 1q5r h ALA 80 N 1.38 0.71 0.00 3.86 0.00 0.15 -2.51 119.26 122.85 1q5r h ALA 80 Ca 0.30 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1q5r h ALA 80 Cb -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1q5r h ALA 80 CO -0.06 0.66 -0.24 -0.97 0.00 0.00 0.00 179.25 178.65 1q5r h ASN 81 N 0.69 0.00 -0.10 0.00 -0.00 0.06 -2.14 115.58 114.09 1q5r h ASN 81 Ca 0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 56.30 56.26 1q5r h ASN 81 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.23 1q5r h ASN 81 CO 0.08 0.24 -0.35 0.03 -0.00 0.00 0.00 177.43 177.43 1q5r h ARG 82 N 0.00 0.41 -0.88 6.67 2.47 -1.12 -2.60 114.38 119.34 1q5r h ARG 82 Ca -0.00 -0.31 0.07 0.00 -1.26 0.00 0.00 59.98 58.48 1q5r h ARG 82 Cb 0.45 0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 28.77 1q5r h ARG 82 CO 0.03 0.94 0.57 1.25 0.56 0.00 0.00 179.97 183.32 1q5r h LEU 83 N -0.03 0.85 0.61 3.04 6.46 -1.08 -0.88 115.31 124.28 1q5r h LEU 83 Ca -0.02 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 1q5r h LEU 83 Cb 0.98 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.75 1q5r h LEU 83 CO 0.07 0.54 -0.31 0.00 -0.62 0.00 0.00 178.44 178.12 1q5r h ALA 84 N 1.53 -0.85 -0.97 1.25 0.00 -1.34 0.12 119.26 119.01 1q5r h ALA 84 Ca 0.38 -0.18 0.31 0.00 0.00 0.00 0.00 54.91 55.43 1q5r h ALA 84 Cb 0.25 0.34 -0.16 0.00 0.00 0.00 0.00 17.79 18.23 1q5r h ALA 84 CO -0.15 -0.98 0.40 0.77 0.00 0.00 0.00 179.25 179.29 1q5r h SER 85 N -0.85 0.20 -0.03 0.00 0.02 -0.79 0.23 113.55 112.34 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 0.66 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.44 1q5r h SER 85 CO 0.13 -0.24 -0.06 0.24 -1.14 0.00 0.00 176.83 175.76 1q5r h MET 86 N 0.18 0.09 -0.28 3.45 2.07 -0.83 -2.87 114.93 116.73 1q5r h MET 86 Ca 0.69 -0.06 0.06 0.00 -2.07 0.00 0.00 59.70 58.32 1q5r h MET 86 Cb 1.59 0.01 -0.06 0.00 -1.87 0.00 0.00 31.60 31.27 1q5r h MET 86 CO -0.70 0.66 -0.08 0.28 1.07 0.00 0.00 176.91 178.14 1q5r h VAL 87 N -0.47 0.69 -0.70 -2.22 2.07 0.82 0.40 116.25 116.84 1q5r h VAL 87 Ca -0.00 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.72 1q5r h VAL 87 Cb 0.66 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1q5r h VAL 87 CO 0.01 0.00 0.64 -0.09 0.02 0.00 0.00 177.57 178.16 1q5r h ARG 88 N -0.02 0.00 0.00 1.57 2.43 -0.64 0.71 114.38 118.43 1q5r h ARG 88 Ca 0.14 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.19 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 -0.30 0.00 -0.55 0.78 -1.51 0.00 0.00 179.97 178.39 1q5r h GLY 89 N 0.00 0.00 0.94 2.80 0.00 -0.68 -3.06 103.07 103.06 1q5r h GLY 89 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1q5r h GLY 89 CO -0.00 0.00 -0.03 -2.01 0.00 0.00 0.00 176.54 174.49 1q5r n ASN 90 N -3.34 0.31 -0.30 0.19 5.15 0.25 -3.64 115.26 113.87 1q5r n ASN 90 Ca 0.01 -0.73 0.35 0.00 -0.60 0.00 0.00 54.58 53.61 1q5r n ASN 90 Cb 0.70 -0.09 0.75 0.00 -0.53 0.00 0.00 39.78 40.62 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 0.43 0.00 -0.13 1.20 7.12 -1.43 0.90 115.31 123.40 1q5r h LEU 91 Ca 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 57.95 1q5r h LEU 91 Cb 0.23 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.36 1q5r h LEU 91 CO 0.00 0.00 -0.15 1.23 -0.13 0.00 0.00 178.44 179.39 1q5r h GLY 92 N 0.00 0.36 2.00 3.75 0.00 -1.85 -2.36 103.07 104.97 1q5r h GLY 92 Ca 0.55 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.45 1q5r h GLY 92 CO -0.01 0.34 -0.25 0.00 0.00 0.00 0.00 176.54 176.63 1q5r h ALA 93 N 0.59 1.15 0.08 3.60 0.00 -1.22 -2.91 119.26 120.55 1q5r h ALA 93 Ca 0.02 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1q5r h ALA 93 Cb 0.68 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1q5r h ALA 93 CO 0.04 0.31 -0.04 0.00 0.00 0.00 0.00 179.25 179.56 1q5r h ALA 94 N 1.75 -0.10 0.00 0.00 0.00 -0.86 0.65 119.26 120.70 1q5r h ALA 94 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1q5r h ALA 94 Cb 0.63 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1q5r h ALA 94 CO 0.03 -0.40 0.00 -1.33 0.00 0.00 0.00 179.25 177.55 1q5r n MET 95 N -4.99 0.00 -0.56 0.00 2.81 -0.90 -1.01 117.12 112.47 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 0.19 -1.50 0.30 0.00 -0.71 0.00 0.00 33.22 31.50 1q5r n MET 95 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1q5r n GLN 96 N -1.50 3.51 -0.36 0.03 6.02 -1.00 -4.93 117.38 119.14 1q5r n GLN 96 Ca 0.02 -2.89 0.00 0.00 -0.01 0.00 0.00 57.00 54.12 1q5r n GLN 96 Cb 0.08 -1.93 0.00 0.00 1.02 0.00 0.00 30.24 29.42 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 -0.04 0.96 2.26 1.08 0.00 -0.18 -4.94 105.19 104.33 1q5r n GLY 97 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 1q5r n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q5r n LEU 98 N 0.00 7.13 -4.80 0.99 4.32 0.22 -4.89 117.00 119.98 1q5r n LEU 98 Ca 0.00 -4.37 -0.32 0.00 -0.02 0.00 0.00 56.01 51.30 1q5r n LEU 98 Cb 0.00 -0.85 0.05 0.00 -1.62 0.00 0.00 43.42 41.00 1q5r n LEU 98 CO 0.00 1.59 0.71 0.00 -1.22 0.00 0.00 177.39 178.48 1q5r s ALA 99 N -3.78 2.56 -0.14 -1.18 0.00 -1.22 -4.18 121.76 113.82 1q5r s ALA 99 Ca 0.62 0.26 -0.14 0.00 0.00 0.00 0.00 51.96 52.70 1q5r s ALA 99 Cb 0.49 -3.23 0.04 0.00 0.00 0.00 0.00 23.12 20.42 1q5r s ALA 99 CO 0.00 -1.26 0.39 0.14 0.00 0.00 0.00 175.76 175.03 1q5r s VAL 100 N -2.77 0.00 -0.07 0.00 -7.23 -1.26 -2.16 120.40 106.91 1q5r s VAL 100 Ca 0.61 -0.02 -0.00 0.00 -1.81 0.00 0.00 61.98 60.76 1q5r s VAL 100 Cb -0.16 -0.56 0.02 0.00 0.56 0.00 0.00 36.38 36.24 1q5r s VAL 100 CO 0.49 -0.01 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.54 1q5r s VAL 101 N 0.12 0.58 0.52 1.32 1.01 0.48 -4.90 120.40 119.52 1q5r s VAL 101 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1q5r s VAL 101 Cb -0.03 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.72 1q5r s VAL 101 CO 0.01 0.27 0.75 -2.16 0.00 0.00 0.00 175.10 173.97 1q5r s PRO 102 N 1.50 2.78 -0.13 2.72 0.04 -1.26 -1.49 135.00 139.16 1q5r s PRO 102 Ca -0.02 -0.58 -0.02 0.00 0.04 0.00 0.00 61.00 60.43 1q5r s PRO 102 Cb -0.13 -2.49 0.04 0.00 0.04 0.00 0.00 34.50 31.96 1q5r s PRO 102 CO -0.03 -0.54 0.00 -1.17 0.04 0.00 0.00 177.00 175.30 1q5r s LEU 103 N -4.71 0.96 -0.13 -3.56 0.20 0.63 -3.60 118.68 108.48 1q5r s LEU 103 Ca 0.53 -0.44 -0.03 0.00 0.69 0.00 0.00 54.13 54.89 1q5r s LEU 103 Cb -0.10 -0.58 -0.03 0.00 -0.43 0.00 0.00 46.19 45.05 1q5r s LEU 103 CO 0.39 -0.23 -0.03 -0.22 -0.29 0.00 0.00 176.35 175.97 1q5r s LEU 104 N 1.88 3.34 0.10 -0.68 2.96 -0.14 -1.27 118.68 124.86 1q5r s LEU 104 Ca 0.02 -0.05 0.05 0.00 -0.22 0.00 0.00 54.13 53.94 1q5r s LEU 104 Cb -0.14 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 1q5r s LEU 104 CO -0.07 0.24 -0.14 0.68 -1.32 0.00 0.00 176.35 175.74 1q5r s VAL 105 N -0.07 1.22 0.04 1.68 -7.23 -0.07 -0.09 120.40 115.88 1q5r s VAL 105 Ca 0.02 -1.54 -0.28 0.00 -1.81 0.00 0.00 61.98 58.37 1q5r s VAL 105 Cb -0.13 -1.34 0.09 0.00 0.56 0.00 0.00 36.38 35.57 1q5r s VAL 105 CO 0.02 -0.34 0.91 -0.83 -0.31 0.00 0.00 175.10 174.55 1q5r s GLY 106 N -2.16 -0.40 -0.49 2.32 0.00 -0.95 -1.20 107.32 104.44 1q5r s GLY 106 Ca 0.04 0.78 -0.16 0.00 0.00 0.00 0.00 44.72 45.38 1q5r s GLY 106 CO 0.02 0.25 0.45 -0.47 0.00 0.00 0.00 173.10 173.35 1q5r s TYR 107 N -3.15 3.22 -0.56 1.90 5.04 -0.67 -1.51 117.35 121.61 1q5r s TYR 107 Ca 0.07 -0.94 -0.27 0.00 -2.44 0.00 0.00 57.07 53.50 1q5r s TYR 107 Cb -0.01 -3.33 -0.03 0.00 0.35 0.00 0.00 41.96 38.94 1q5r s TYR 107 CO -0.06 -0.87 1.94 0.34 -1.34 0.00 0.00 175.55 175.56 1q5r s ASP 108 N 2.79 5.21 0.46 4.32 2.15 0.14 -4.82 116.67 126.92 1q5r s ASP 108 Ca 0.05 0.56 0.11 0.00 0.43 0.00 0.00 52.55 53.70 1q5r s ASP 108 Cb -0.25 -2.52 1.04 0.00 -0.30 0.00 0.00 42.92 40.89 1q5r s ASP 108 CO 0.07 -2.39 2.09 -0.07 -0.17 0.00 0.00 175.17 174.70 1q5r h LEU 109 N 16.63 0.24 -3.31 -1.34 4.07 -1.94 -1.87 115.31 127.80 1q5r h LEU 109 Ca -0.26 -0.01 -0.34 0.00 0.08 0.00 0.00 57.88 57.35 1q5r h LEU 109 Cb 1.18 -0.06 -0.18 0.00 1.08 0.00 0.00 40.66 42.68 1q5r h LEU 109 CO 1.19 0.19 0.43 0.47 -1.08 0.00 0.00 178.44 179.64 1q5r n ASP 110 N -4.49 4.53 -4.92 -0.43 8.00 -1.26 -4.92 116.55 113.05 1q5r n ASP 110 Ca 0.00 -3.04 -0.22 0.00 0.71 0.00 0.00 54.79 52.24 1q5r n ASP 110 Cb 0.09 -0.81 -0.03 0.00 -0.02 0.00 0.00 41.12 40.34 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 -2.04 3.83 -0.02 2.24 0.00 -0.70 -5.06 121.76 120.00 1q5r s ALA 111 Ca 0.35 -1.24 -0.01 0.00 0.00 0.00 0.00 51.96 51.07 1q5r s ALA 111 Cb 0.29 -1.62 -0.00 0.00 0.00 0.00 0.00 23.12 21.79 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 1.50 0.00 -1.40 0.00 3.32 -1.91 -3.43 116.42 114.50 1q5r h ASP 112 Ca -0.50 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.17 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 0.62 0.13 1.14 -1.81 -1.72 0.00 0.00 179.24 177.60 1q5r s ASP 113 N -3.70 4.76 0.00 6.45 1.01 -1.26 -4.76 116.67 119.16 1q5r s ASP 113 Ca -0.01 0.37 0.00 0.00 0.71 0.00 0.00 52.55 53.62 1q5r s ASP 113 Cb 0.00 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.41 1q5r s ASP 113 CO 0.02 -2.84 0.93 -0.62 0.21 0.00 0.00 175.17 172.87 1q5r n GLU 114 N 9.02 0.00 -0.02 8.23 -0.58 -1.26 0.18 120.64 136.21 1q5r n GLU 114 Ca 0.33 0.42 -0.03 0.00 -0.42 0.00 0.00 57.16 57.47 1q5r n GLU 114 Cb 0.51 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.76 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 -1.43 0.54 -1.15 1.62 3.41 -1.26 -4.15 113.62 111.20 1q5r n SER 115 Ca 0.00 0.24 0.08 0.00 -0.26 0.00 0.00 58.87 58.93 1q5r n SER 115 Cb 0.00 0.57 0.28 0.00 -0.26 0.00 0.00 64.21 64.80 1q5r n SER 115 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1q5r n ARG 116 N -2.80 3.35 0.28 4.33 5.12 0.13 -4.51 116.66 122.56 1q5r n ARG 116 Ca -0.16 -2.69 0.19 0.00 -1.93 0.00 0.00 57.85 53.26 1q5r n ARG 116 Cb 0.92 -1.75 0.94 0.00 -1.16 0.00 0.00 32.46 31.40 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 2.81 1.00 -2.72 7.54 0.00 -1.26 -3.43 119.26 123.21 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 1.32 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1q5r h ALA 117 CO 0.19 0.00 0.42 0.20 0.00 0.00 0.00 179.25 180.06 1q5r s GLY 118 N -4.03 3.02 0.04 0.00 0.00 -1.26 0.28 107.32 105.37 1q5r s GLY 118 Ca -0.02 0.74 0.02 0.00 0.00 0.00 0.00 44.72 45.45 1q5r s GLY 118 CO 0.42 1.43 -0.06 0.50 0.00 0.00 0.00 173.10 175.38 1q5r s ARG 119 N -0.89 0.50 -0.08 2.90 0.52 -0.57 -4.93 118.95 116.40 1q5r s ARG 119 Ca 0.45 -0.78 0.01 0.00 -0.52 0.00 0.00 55.73 54.90 1q5r s ARG 119 Cb -0.28 -0.17 0.02 0.00 0.52 0.00 0.00 34.95 35.03 1q5r s ARG 119 CO 0.35 0.02 -0.11 0.42 0.02 0.00 0.00 175.30 176.00 1q5r s ILE 120 N -1.63 1.12 -0.10 1.52 1.01 -1.26 -2.25 121.20 119.61 1q5r s ILE 120 Ca -0.09 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.15 1q5r s ILE 120 Cb -0.08 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 41.34 1q5r s ILE 120 CO -0.01 0.36 -0.17 -0.69 0.00 0.00 0.00 174.94 174.44 1q5r s VAL 121 N 0.99 1.61 0.30 2.92 1.01 0.87 -1.18 120.40 126.91 1q5r s VAL 121 Ca -0.08 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.24 1q5r s VAL 121 Cb -0.15 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 1q5r s VAL 121 CO -0.00 0.46 0.33 -0.94 0.00 0.00 0.00 175.10 174.95 1q5r s SER 122 N 0.81 5.74 0.25 3.32 1.04 -0.63 -0.96 113.70 123.27 1q5r s SER 122 Ca -0.10 -0.24 0.03 0.00 0.48 0.00 0.00 55.95 56.12 1q5r s SER 122 Cb -0.16 -1.32 -0.05 0.00 0.10 0.00 0.00 66.02 64.59 1q5r s SER 122 CO 0.01 -0.24 0.03 -0.31 0.98 0.00 0.00 173.24 173.70 1q5r s TYR 123 N -2.16 1.58 0.58 5.02 1.51 -1.24 -1.23 117.35 121.42 1q5r s TYR 123 Ca 0.39 -0.99 0.09 0.00 -1.01 0.00 0.00 57.07 55.54 1q5r s TYR 123 Cb -0.08 -0.94 0.09 0.00 -0.11 0.00 0.00 41.96 40.92 1q5r s TYR 123 CO 0.28 -0.12 0.76 -0.25 -1.11 0.00 0.00 175.55 175.11 1q5r n ASP 124 N -0.45 2.24 -0.00 2.29 10.43 -0.85 -4.91 116.55 125.29 1q5r n ASP 124 Ca -0.04 -2.61 0.10 0.00 2.57 0.00 0.00 54.79 54.81 1q5r n ASP 124 Cb 0.65 -0.37 -0.13 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 -2.21 0.00 0.83 2.53 0.24 -1.26 -4.01 118.33 114.45 1q5r n VAL 125 Ca 0.14 -0.16 0.11 0.00 -2.04 0.00 0.00 64.34 62.39 1q5r n VAL 125 Cb 0.61 0.69 0.30 0.00 -1.47 0.00 0.00 33.84 33.97 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 -1.72 0.35 -0.23 3.34 0.24 -1.26 -4.29 118.33 114.76 1q5r n VAL 126 Ca 0.01 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 1q5r n VAL 126 Cb 0.40 0.61 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 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 0.88 3.86 7.63 0.00 -1.26 -4.67 105.19 112.92 1q5r n GLY 127 Ca 0.17 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.05 1.92 0.06 -0.02 0.00 -1.26 -4.74 107.32 101.23 1q5r s GLY 128 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 44.72 44.80 1q5r s GLY 128 CO 0.00 0.27 -0.16 1.09 0.00 0.00 0.00 173.10 174.31 1q5r s ARG 129 N -4.33 0.96 -0.01 2.90 1.70 -1.26 -2.01 118.95 116.89 1q5r s ARG 129 Ca 0.56 -0.91 0.01 0.00 -0.47 0.00 0.00 55.73 54.93 1q5r s ARG 129 Cb -0.10 -1.02 -0.00 0.00 -0.57 0.00 0.00 34.95 33.26 1q5r s ARG 129 CO 0.37 0.24 -0.04 0.71 -1.08 0.00 0.00 175.30 175.50 1q5r s TYR 130 N -1.05 0.44 -0.14 5.89 1.51 -0.36 -4.98 117.35 118.66 1q5r s TYR 130 Ca 0.02 -0.08 -0.27 0.00 -1.01 0.00 0.00 57.07 55.72 1q5r s TYR 130 Cb -0.09 -0.31 -0.01 0.00 -0.11 0.00 0.00 41.96 41.44 1q5r s TYR 130 CO 0.02 -0.02 0.89 -1.21 -1.11 0.00 0.00 175.55 174.12 1q5r s GLU 131 N 0.01 4.36 -0.05 -0.62 0.41 -1.26 -1.60 118.70 119.95 1q5r s GLU 131 Ca 0.00 1.16 -0.06 0.00 -0.41 0.00 0.00 54.97 55.66 1q5r s GLU 131 Cb -0.03 -3.55 -0.03 0.00 -1.78 0.00 0.00 34.13 28.73 1q5r s GLU 131 CO -0.00 -0.29 0.31 0.93 -0.49 0.00 0.00 175.26 175.71 1q5r h GLU 132 N 7.19 -0.21 -6.61 1.61 4.39 -1.54 -3.48 114.58 115.93 1q5r h GLU 132 Ca -0.31 0.01 -0.52 0.00 0.34 0.00 0.00 59.36 58.88 1q5r h GLU 132 Cb 1.14 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.78 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 -2.33 0.00 2.33 1.85 -1.26 -4.77 116.66 108.30 1q5r n ARG 133 Ca -0.03 0.32 0.00 0.00 -1.00 0.00 0.00 57.85 57.15 1q5r n ARG 133 Cb 0.09 -4.13 0.00 0.00 -1.05 0.00 0.00 32.46 27.37 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 -4.46 0.39 0.00 2.89 0.00 -1.26 -4.99 120.51 113.07 1q5r n ALA 134 Ca -0.27 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1q5r n ALA 134 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 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 0.01 2.96 3.43 0.00 0.00 -1.26 -4.99 105.19 105.35 1q5r n GLY 135 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.21 0.14 0.11 1.61 -0.85 -1.26 -0.39 117.35 114.50 1q5r s TYR 136 Ca 0.00 -0.49 -0.26 0.00 -0.52 0.00 0.00 57.07 55.80 1q5r s TYR 136 Cb 0.00 0.17 0.07 0.00 0.38 0.00 0.00 41.96 42.59 1q5r s TYR 136 CO 0.00 -0.82 0.90 -1.58 -1.52 0.00 0.00 175.55 172.52 1q5r s HIS 137 N -3.92 -0.23 0.24 -3.49 2.46 -0.13 -4.92 115.29 105.30 1q5r s HIS 137 Ca 0.13 -0.02 -0.11 0.00 0.47 0.00 0.00 55.06 55.54 1q5r s HIS 137 Cb 0.01 0.60 -0.01 0.00 -0.13 0.00 0.00 32.58 33.05 1q5r s HIS 137 CO -0.01 -0.76 0.42 0.00 -2.47 0.00 0.00 174.74 171.91 1q5r s ALA 138 N -3.30 0.02 -0.01 1.58 0.00 -1.26 -0.44 121.76 118.35 1q5r s ALA 138 Ca 0.09 -1.03 -0.22 0.00 0.00 0.00 0.00 51.96 50.80 1q5r s ALA 138 Cb -0.02 1.13 0.04 0.00 0.00 0.00 0.00 23.12 24.28 1q5r s ALA 138 CO -0.02 -0.81 0.48 0.14 0.00 0.00 0.00 175.76 175.55 1q5r s VAL 139 N -4.04 0.03 0.00 0.00 -7.23 -0.45 -4.93 120.40 103.79 1q5r s VAL 139 Ca 0.25 -0.28 0.00 0.00 -1.81 0.00 0.00 61.98 60.14 1q5r s VAL 139 Cb 0.01 -0.85 0.00 0.00 0.56 0.00 0.00 36.38 36.09 1q5r s VAL 139 CO 0.10 -0.16 0.00 0.61 -0.31 0.00 0.00 175.10 175.34 1q5r n GLY 140 N 0.88 2.09 0.30 2.32 0.00 -1.26 -0.54 105.19 108.99 1q5r n GLY 140 Ca -0.20 -2.01 0.03 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.74 0.54 1.61 4.64 -1.85 0.34 113.55 118.09 1q5r h SER 141 Ca 0.00 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1q5r h SER 141 Cb 0.00 0.50 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 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 -1.22 0.32 -0.77 0.00 -1.26 -4.13 105.19 96.59 1q5r n GLY 142 Ca 0.12 -0.13 0.14 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 -0.17 -0.01 1.61 4.64 -0.51 0.14 113.55 119.25 1q5r h SER 143 Ca 0.00 0.23 0.03 0.00 -0.47 0.00 0.00 61.79 61.58 1q5r h SER 143 Cb 0.27 0.35 -0.04 0.00 -0.31 0.00 0.00 62.40 62.67 1q5r h SER 143 CO 0.00 -0.25 -0.21 0.25 -0.87 0.00 0.00 176.83 175.75 1q5r h LEU 144 N 0.11 -0.62 0.20 5.97 7.12 -1.76 0.75 115.31 127.09 1q5r h LEU 144 Ca 0.58 0.09 -0.01 0.00 0.13 0.00 0.00 57.88 58.67 1q5r h LEU 144 Cb 1.21 0.26 0.00 0.00 -0.53 0.00 0.00 40.66 41.60 1q5r h LEU 144 CO -0.76 -0.28 -0.10 -0.26 -0.13 0.00 0.00 178.44 176.92 1q5r h PHE 145 N -0.33 -0.25 -0.56 1.25 -1.00 -1.38 -2.75 116.94 111.92 1q5r h PHE 145 Ca 0.06 -0.01 0.11 0.00 2.81 0.00 0.00 57.97 60.95 1q5r h PHE 145 Cb 0.41 0.08 -0.11 0.00 3.61 0.00 0.00 35.95 39.94 1q5r h PHE 145 CO -0.26 0.11 -0.18 0.00 -1.61 0.00 0.00 178.31 176.37 1q5r h ALA 146 N 0.04 0.29 -0.86 2.45 0.00 -0.72 0.41 119.26 120.88 1q5r h ALA 146 Ca -0.03 0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1q5r h ALA 146 Cb 0.47 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 1q5r h ALA 146 CO 0.04 -0.48 0.53 0.87 0.00 0.00 0.00 179.25 180.21 1q5r h LYS 147 N -0.04 0.94 0.00 0.00 1.57 -0.86 -1.16 116.57 117.02 1q5r h LYS 147 Ca 0.27 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.94 1q5r h LYS 147 Cb 0.45 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1q5r h LYS 147 CO -0.60 0.62 -0.23 0.77 -0.57 0.00 0.00 179.45 179.44 1q5r h SER 148 N 0.96 0.00 -0.05 0.86 0.02 -0.66 -0.04 113.55 114.64 1q5r h SER 148 Ca 0.37 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.21 1q5r h SER 148 Cb 0.17 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.72 1q5r h SER 148 CO -0.17 0.23 -0.43 0.00 -1.14 0.00 0.00 176.83 175.32 1q5r h ALA 149 N 1.77 0.12 -0.40 3.77 0.00 -0.21 -3.09 119.26 121.21 1q5r h ALA 149 Ca -0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1q5r h ALA 149 Cb 0.47 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1q5r h ALA 149 CO 0.03 0.27 0.23 -0.07 0.00 0.00 0.00 179.25 179.71 1q5r h LEU 150 N -0.11 0.47 -2.06 0.00 -0.00 -0.83 0.14 115.31 112.92 1q5r h LEU 150 Ca -0.04 -0.02 0.10 0.00 -0.00 0.00 0.00 57.88 57.92 1q5r h LEU 150 Cb 1.11 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.63 1q5r h LEU 150 CO 0.09 0.37 0.35 0.50 -0.00 0.00 0.00 178.44 179.75 1q5r h LYS 151 N 0.55 0.00 0.00 1.13 3.64 -0.93 -0.91 116.57 120.06 1q5r h LYS 151 Ca 0.14 0.00 -0.43 0.00 -1.27 0.00 0.00 60.65 59.09 1q5r h LYS 151 Cb -0.01 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.75 1q5r h LYS 151 CO -0.03 0.00 -2.43 1.63 -2.27 0.00 0.00 179.45 176.35 1q5r n LYS 152 N -3.87 0.54 0.00 1.90 4.76 0.32 -4.66 118.16 117.15 1q5r n LYS 152 Ca 0.06 0.24 0.14 0.00 -2.87 0.00 0.00 58.31 55.87 1q5r n LYS 152 Cb 0.52 -1.41 0.49 0.00 -1.84 0.00 0.00 35.03 32.79 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 -4.13 0.00 -3.06 -0.18 -5.35 -0.18 -4.87 119.36 101.59 1q5r n ILE 153 Ca -0.50 -0.12 -0.40 0.00 -0.27 0.00 0.00 62.75 61.45 1q5r n ILE 153 Cb 0.86 0.24 -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 -2.39 3.46 -0.08 4.28 5.04 -0.35 -4.94 117.35 122.38 1q5r s TYR 154 Ca 0.29 1.10 0.03 0.00 -2.44 0.00 0.00 57.07 56.05 1q5r s TYR 154 Cb 0.20 -2.83 -0.02 0.00 0.35 0.00 0.00 41.96 39.66 1q5r s TYR 154 CO 0.47 -0.07 -0.17 -1.54 -1.34 0.00 0.00 175.55 172.90 1q5r s SER 155 N 1.01 3.75 0.00 4.32 1.04 -1.26 -4.94 113.70 117.62 1q5r s SER 155 Ca 0.33 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1q5r s SER 155 Cb -0.17 -1.09 0.00 0.00 0.10 0.00 0.00 66.02 64.86 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 2.88 2.14 -1.63 4.02 -0.02 -1.26 -4.54 135.00 136.59 1q5r n PRO 156 Ca -0.18 0.00 -0.58 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 2.09 -3.10 2.55 9.92 -1.26 -4.66 116.55 122.08 1q5r n ASP 157 Ca 0.00 0.94 -0.08 0.00 -0.53 0.00 0.00 54.79 55.12 1q5r n ASP 157 Cb 0.00 -1.11 0.02 0.00 -0.64 0.00 0.00 41.12 39.38 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 4.36 -0.04 0.99 -2.24 1.04 -1.26 -4.72 113.70 111.83 1q5r s SER 158 Ca 1.03 -1.04 -0.16 0.00 0.48 0.00 0.00 55.95 56.27 1q5r s SER 158 Cb -1.12 0.82 -0.02 0.00 0.10 0.00 0.00 66.02 65.80 1q5r s SER 158 CO 0.65 -1.61 -0.13 0.47 0.98 0.00 0.00 173.24 173.60 1q5r n ASP 159 N -1.24 -3.32 0.17 7.02 9.92 -1.26 -2.79 116.55 125.04 1q5r n ASP 159 Ca -0.07 0.20 0.07 0.00 -0.53 0.00 0.00 54.79 54.46 1q5r n ASP 159 Cb 0.60 -1.00 0.09 0.00 -0.64 0.00 0.00 41.12 40.17 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 -1.43 0.00 0.00 -1.24 4.81 -1.99 -2.82 114.58 111.91 1q5r h GLU 160 Ca -0.45 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.60 1q5r h GLU 160 Cb 1.31 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.66 1q5r h GLU 160 CO 0.31 0.22 -1.16 1.49 -0.73 0.00 0.00 179.01 179.14 1q5r h GLU 161 N 0.00 0.00 -0.17 1.92 4.81 -1.98 -2.46 114.58 116.70 1q5r h GLU 161 Ca -0.01 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 1q5r h GLU 161 Cb 1.19 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 1q5r h GLU 161 CO 0.03 0.53 -0.26 1.15 -0.73 0.00 0.00 179.01 179.72 1q5r h THR 162 N 0.00 1.35 -0.30 0.32 2.02 -1.88 -1.53 112.91 112.89 1q5r h THR 162 Ca -0.12 -1.49 -0.07 0.00 0.77 0.00 0.00 66.41 65.50 1q5r h THR 162 Cb 1.66 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 69.97 1q5r h THR 162 CO 0.07 0.45 -0.10 0.00 0.37 0.00 0.00 175.52 176.31 1q5r h ALA 163 N 0.59 0.41 0.00 6.16 0.00 -1.60 -0.60 119.26 124.21 1q5r h ALA 163 Ca 0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1q5r h ALA 163 Cb 0.84 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1q5r h ALA 163 CO 0.06 0.26 -0.14 1.25 0.00 0.00 0.00 179.25 180.68 1q5r h LEU 164 N 0.35 0.00 -0.05 0.00 5.85 -1.47 -0.20 115.31 119.79 1q5r h LEU 164 Ca 0.07 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.62 1q5r h LEU 164 Cb 0.60 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.64 1q5r h LEU 164 CO 0.03 0.14 -0.64 -0.09 -0.34 0.00 0.00 178.44 177.55 1q5r h ARG 165 N 0.00 0.52 -0.74 1.25 2.43 -0.95 -2.20 114.38 114.70 1q5r h ARG 165 Ca -0.00 -0.49 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1q5r h ARG 165 Cb 0.27 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 1q5r h ARG 165 CO 0.02 1.13 0.46 0.00 -1.51 0.00 0.00 179.97 180.07 1q5r h ALA 166 N 0.40 0.94 0.83 2.80 0.00 -0.38 -0.76 119.26 123.08 1q5r h ALA 166 Ca -0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1q5r h ALA 166 Cb 1.31 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.81 1q5r h ALA 166 CO 0.13 0.38 -0.40 0.00 0.00 0.00 0.00 179.25 179.36 1q5r h ALA 167 N 1.25 -1.22 -0.68 0.00 0.00 -1.06 -0.27 119.26 117.28 1q5r h ALA 167 Ca 0.27 -0.24 0.20 0.00 0.00 0.00 0.00 54.91 55.13 1q5r h ALA 167 Cb -0.07 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1q5r h ALA 167 CO -0.05 -1.14 0.53 0.82 0.00 0.00 0.00 179.25 179.41 1q5r h ILE 168 N -1.18 0.55 -0.13 0.00 2.04 -1.29 0.10 117.51 117.59 1q5r h ILE 168 Ca -0.11 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.59 1q5r h ILE 168 Cb 0.85 0.62 0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1q5r h ILE 168 CO 0.19 0.00 -0.55 -0.08 0.00 0.00 0.00 178.15 177.71 1q5r h GLU 169 N 0.00 0.60 -0.33 2.37 4.81 -0.67 -2.99 114.58 118.38 1q5r h GLU 169 Ca 0.32 -0.47 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1q5r h GLU 169 Cb 1.38 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.84 1q5r h GLU 169 CO -0.00 1.09 0.10 0.66 -0.73 0.00 0.00 179.01 180.13 1q5r h SER 170 N 0.25 0.42 0.46 1.04 4.64 0.98 1.00 113.55 122.33 1q5r h SER 170 Ca -0.03 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.18 1q5r h SER 170 Cb 1.18 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1q5r h SER 170 CO 0.11 0.41 -0.29 -0.07 -0.87 0.00 0.00 176.83 176.12 1q5r h LEU 171 N 0.46 0.00 -0.15 5.97 3.38 -1.33 0.37 115.31 124.01 1q5r h LEU 171 Ca 0.11 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1q5r h LEU 171 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1q5r h LEU 171 CO -0.01 0.29 -0.12 1.88 0.09 0.00 0.00 178.44 180.58 1q5r h TYR 172 N 0.00 0.42 -0.18 1.13 -1.99 -0.69 -1.93 116.97 113.73 1q5r h TYR 172 Ca -0.00 -0.12 -0.08 0.00 2.00 0.00 0.00 58.73 60.53 1q5r h TYR 172 Cb 0.60 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 39.23 1q5r h TYR 172 CO 0.00 0.71 -0.23 -0.44 -0.00 0.00 0.00 178.16 178.20 1q5r h ASP 173 N 0.00 0.32 -0.30 3.88 3.32 -0.94 -2.67 116.42 120.04 1q5r h ASP 173 Ca 0.03 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 1q5r h ASP 173 Cb 0.63 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1q5r h ASP 173 CO 0.03 0.57 -0.12 0.00 -1.72 0.00 0.00 179.24 177.99 1q5r h ALA 174 N 1.46 0.42 -0.17 3.45 0.00 -0.87 -2.66 119.26 120.89 1q5r h ALA 174 Ca 0.05 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.69 1q5r h ALA 174 Cb 0.58 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1q5r h ALA 174 CO 0.04 0.29 0.18 0.00 0.00 0.00 0.00 179.25 179.76 1q5r h ALA 175 N 0.77 1.84 -0.43 0.00 0.00 -1.04 -0.16 119.26 120.24 1q5r h ALA 175 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1q5r h ALA 175 Cb 0.64 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1q5r h ALA 175 CO 0.04 -0.27 0.23 -0.44 0.00 0.00 0.00 179.25 178.81 1q5r h ASP 176 N 0.00 0.54 0.00 0.00 3.32 -1.14 -3.33 116.42 115.81 1q5r h ASP 176 Ca 0.08 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1q5r h ASP 176 Cb 0.44 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1q5r h ASP 176 CO -0.00 0.49 -0.90 0.47 -1.72 0.00 0.00 179.24 177.58 1q5r n ASP 177 N -4.70 0.96 -4.22 6.45 8.00 -0.87 -4.92 116.55 117.25 1q5r n ASP 177 Ca 0.01 -0.60 -0.36 0.00 0.71 0.00 0.00 54.79 54.56 1q5r n ASP 177 Cb 0.09 1.17 -0.14 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 -2.62 4.82 0.15 -2.24 3.68 -0.12 -4.96 116.67 115.39 1q5r s ASP 178 Ca 0.02 -1.05 0.20 0.00 2.13 0.00 0.00 52.55 53.85 1q5r s ASP 178 Cb 0.10 -1.75 0.83 0.00 -1.45 0.00 0.00 42.92 40.66 1q5r s ASP 178 CO 0.55 -0.22 1.61 -1.54 0.13 0.00 0.00 175.17 175.70 1q5r n SER 179 N 4.70 0.40 -0.22 -0.34 3.41 -1.26 -1.82 113.62 118.49 1q5r n SER 179 Ca -0.14 0.60 0.14 0.00 -0.26 0.00 0.00 58.87 59.21 1q5r n SER 179 Cb 0.45 -0.68 0.58 0.00 -0.26 0.00 0.00 64.21 64.31 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 -1.66 2.77 -2.00 7.33 0.00 -1.26 -4.64 120.51 121.04 1q5r n ALA 180 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1q5r n ALA 180 Cb 0.21 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.61 0.00 -2.97 0.00 -1.04 -0.75 -4.80 114.28 104.10 1q5r n THR 181 Ca 0.16 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.08 1q5r n THR 181 Cb 0.29 -0.23 0.04 0.00 -1.82 0.00 0.00 70.33 68.61 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 4.04 -0.97 0.00 3.41 0.00 -1.22 -4.58 105.19 105.87 1q5r n GLY 182 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -1.39 -2.91 3.66 -0.02 0.00 -1.25 -4.79 105.19 98.49 1q5r n GLY 183 Ca -0.04 -0.33 -0.47 0.00 0.00 0.00 0.00 46.02 45.18 1q5r n GLY 183 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1q5r n PRO 184 N 0.00 2.05 -3.68 1.61 -0.02 -1.26 -4.83 135.00 128.87 1q5r n PRO 184 Ca 0.00 0.74 -0.30 0.00 -2.02 0.00 0.00 63.50 61.92 1q5r n PRO 184 Cb 0.00 -2.50 -0.15 0.00 -0.02 0.00 0.00 33.50 30.84 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 0.88 3.87 0.34 2.55 -1.08 -0.81 -4.99 116.67 117.43 1q5r s ASP 185 Ca 0.79 -1.58 0.02 0.00 -0.52 0.00 0.00 52.55 51.26 1q5r s ASP 185 Cb -0.71 -0.72 0.61 0.00 -1.46 0.00 0.00 42.92 40.64 1q5r s ASP 185 CO 0.39 -0.42 1.97 -0.07 0.52 0.00 0.00 175.17 177.56 1q5r h LEU 186 N 8.12 0.70 -0.27 -1.34 3.38 -1.94 0.74 115.31 124.70 1q5r h LEU 186 Ca -0.15 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1q5r h LEU 186 Cb 1.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1q5r h LEU 186 CO 0.46 0.56 0.07 0.74 0.09 0.00 0.00 178.44 180.36 1q5r h THR 187 N 0.80 1.21 0.00 0.22 2.02 -1.97 -3.17 112.91 112.01 1q5r h THR 187 Ca 0.21 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1q5r h THR 187 Cb 0.01 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1q5r h THR 187 CO -0.03 0.22 -0.70 0.03 0.37 0.00 0.00 175.52 175.41 1q5r h ARG 188 N 0.27 0.00 -3.21 6.66 3.08 -1.98 -3.48 114.38 115.71 1q5r h ARG 188 Ca 0.09 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.01 1q5r h ARG 188 Cb 0.27 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.37 1q5r h ARG 188 CO -0.00 0.00 -0.27 0.41 -1.07 0.00 0.00 179.97 179.04 1q5r n GLY 189 N 1.29 0.20 3.32 0.04 0.00 0.22 -5.03 105.19 105.23 1q5r n GLY 189 Ca 0.03 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 1q5r n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q5r s ILE 190 N -3.13 3.78 0.09 -0.61 -1.09 -1.02 -5.00 121.20 114.21 1q5r s ILE 190 Ca 0.03 -0.76 0.08 0.00 -2.23 0.00 0.00 60.65 57.78 1q5r s ILE 190 Cb -0.01 -2.95 -0.03 0.00 -1.58 0.00 0.00 42.46 37.88 1q5r s ILE 190 CO 0.26 0.09 -0.22 -0.31 -1.23 0.00 0.00 174.94 173.53 1q5r s TYR 191 N 1.47 1.91 0.74 3.97 1.51 -1.26 -1.92 117.35 123.77 1q5r s TYR 191 Ca 0.02 -0.40 -0.16 0.00 -1.01 0.00 0.00 57.07 55.52 1q5r s TYR 191 Cb -0.17 -1.07 -0.01 0.00 -0.11 0.00 0.00 41.96 40.59 1q5r s TYR 191 CO 0.01 0.19 0.74 -2.30 -1.11 0.00 0.00 175.55 173.08 1q5r n PRO 192 N 1.30 0.35 -3.94 -1.71 -0.02 -1.26 -4.85 135.00 124.86 1q5r n PRO 192 Ca -0.18 0.17 -0.35 0.00 -2.02 0.00 0.00 63.50 61.11 1q5r n PRO 192 Cb 0.53 -2.02 -0.06 0.00 -0.02 0.00 0.00 33.50 31.93 1q5r n PRO 192 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1q5r s THR 193 N -1.91 5.34 0.13 3.45 2.01 -0.37 -4.92 115.64 119.38 1q5r s THR 193 Ca 0.69 -0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.66 1q5r s THR 193 Cb -0.34 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1q5r s THR 193 CO 0.55 0.48 0.07 0.00 -0.69 0.00 0.00 174.62 175.03 1q5r s ALA 194 N -1.15 0.84 -0.21 7.40 0.00 -1.26 0.21 121.76 127.59 1q5r s ALA 194 Ca 0.20 -1.46 -0.12 0.00 0.00 0.00 0.00 51.96 50.58 1q5r s ALA 194 Cb -0.12 0.88 0.06 0.00 0.00 0.00 0.00 23.12 23.94 1q5r s ALA 194 CO 0.10 -0.50 0.51 0.08 0.00 0.00 0.00 175.76 175.96 1q5r s VAL 195 N -4.05 -0.01 0.09 0.00 1.01 0.15 -2.18 120.40 115.41 1q5r s VAL 195 Ca 0.24 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.35 1q5r s VAL 195 Cb 0.07 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 1q5r s VAL 195 CO 0.02 0.02 -0.16 0.42 0.00 0.00 0.00 175.10 175.40 1q5r s THR 196 N 1.36 2.97 -0.07 3.92 -4.23 -0.63 -0.54 115.64 118.43 1q5r s THR 196 Ca -0.09 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 1q5r s THR 196 Cb -0.07 -2.34 0.02 0.00 1.34 0.00 0.00 72.50 71.45 1q5r s THR 196 CO -0.14 0.17 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.43 1q5r s ILE 197 N -1.10 0.69 0.31 2.99 1.01 0.21 -0.88 121.20 124.42 1q5r s ILE 197 Ca 0.18 -0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.73 1q5r s ILE 197 Cb -0.11 -0.73 -0.01 0.00 0.01 0.00 0.00 42.46 41.62 1q5r s ILE 197 CO 0.10 0.29 0.32 1.07 0.00 0.00 0.00 174.94 176.71 1q5r n THR 198 N 4.51 0.00 0.17 2.92 5.66 -0.64 -1.54 114.28 125.37 1q5r n THR 198 Ca -0.17 -2.01 0.15 0.00 -3.05 0.00 0.00 64.05 58.98 1q5r n THR 198 Cb 0.51 1.07 0.55 0.00 -1.55 0.00 0.00 70.33 70.90 1q5r n THR 198 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 1q5r h GLN 199 N 0.00 0.00 0.00 1.09 4.15 -1.94 0.78 115.11 119.18 1q5r h GLN 199 Ca -0.22 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.13 1q5r h GLN 199 Cb 1.08 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 1q5r h GLN 199 CO 0.32 0.00 -0.32 0.00 -1.93 0.00 0.00 178.83 176.90 1q5r h ALA 200 N 0.93 0.80 0.00 3.38 0.00 -1.97 -3.50 119.26 118.89 1q5r h ALA 200 Ca 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1q5r h ALA 200 Cb 1.48 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1q5r h ALA 200 CO -0.00 0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.04 1q5r n GLY 201 N 1.18 0.48 3.75 0.00 0.00 0.27 -5.04 105.19 105.83 1q5r n GLY 201 Ca 0.03 -2.19 -0.36 0.00 0.00 0.00 0.00 46.02 43.49 1q5r n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q5r s ALA 202 N -1.71 3.62 0.00 4.61 0.00 -0.26 -1.62 121.76 126.41 1q5r s ALA 202 Ca 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.50 1q5r s ALA 202 Cb 0.00 -2.35 -0.00 0.00 0.00 0.00 0.00 23.12 20.77 1q5r s ALA 202 CO 0.00 0.16 -0.03 0.08 0.00 0.00 0.00 175.76 175.97 1q5r s VAL 203 N 0.25 0.24 -0.02 0.00 1.01 -0.06 -4.99 120.40 116.84 1q5r s VAL 203 Ca 0.16 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 1q5r s VAL 203 Cb -0.13 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 1q5r s VAL 203 CO 0.04 0.00 1.20 -1.00 0.00 0.00 0.00 175.10 175.34 1q5r s HIS 204 N -0.24 3.26 0.40 5.22 3.76 -1.26 -1.60 115.29 124.84 1q5r s HIS 204 Ca -0.01 1.24 -0.25 0.00 -0.15 0.00 0.00 55.06 55.89 1q5r s HIS 204 Cb -0.02 -3.42 -0.08 0.00 1.11 0.00 0.00 32.58 30.16 1q5r s HIS 204 CO -0.00 -1.32 1.13 0.08 -0.85 0.00 0.00 174.74 173.78 1q5r s VAL 205 N 1.83 3.34 0.43 -0.90 1.01 -0.93 -4.97 120.40 120.23 1q5r s VAL 205 Ca 0.57 1.08 -0.19 0.00 0.00 0.00 0.00 61.98 63.44 1q5r s VAL 205 Cb -0.26 -3.59 -0.10 0.00 0.00 0.00 0.00 36.38 32.43 1q5r s VAL 205 CO 0.25 0.06 0.93 -0.94 0.00 0.00 0.00 175.10 175.40 1q5r s SER 206 N -1.30 6.86 0.46 3.32 1.04 -1.26 -4.66 113.70 118.16 1q5r s SER 206 Ca 0.58 1.62 0.17 0.00 0.48 0.00 0.00 55.95 58.79 1q5r s SER 206 Cb -0.28 -2.51 1.14 0.00 0.10 0.00 0.00 66.02 64.47 1q5r s SER 206 CO 0.34 -0.38 1.99 -0.08 0.98 0.00 0.00 173.24 176.09 1q5r h GLU 207 N 1.77 0.27 0.79 4.02 4.81 -1.94 -2.05 114.58 122.25 1q5r h GLU 207 Ca -0.48 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.69 1q5r h GLU 207 Cb 1.18 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.51 1q5r h GLU 207 CO 0.62 0.18 -0.38 0.93 -0.73 0.00 0.00 179.01 179.63 1q5r h GLU 208 N 0.28 -1.03 -0.90 1.92 5.08 -1.99 0.85 114.58 118.80 1q5r h GLU 208 Ca 0.26 0.07 0.23 0.00 -1.00 0.00 0.00 59.36 58.92 1q5r h GLU 208 Cb 0.64 0.23 -0.06 0.00 0.50 0.00 0.00 28.75 30.07 1q5r h GLU 208 CO -0.06 -0.67 0.61 1.15 -1.00 0.00 0.00 179.01 179.04 1q5r h THR 209 N -1.12 0.62 0.17 1.13 2.02 -1.78 0.13 112.91 114.08 1q5r h THR 209 Ca -0.11 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1q5r h THR 209 Cb 0.83 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1q5r h THR 209 CO 0.18 0.04 -0.08 0.74 0.37 0.00 0.00 175.52 176.77 1q5r h THR 210 N 0.23 0.00 -0.96 3.16 2.02 -1.11 -2.48 112.91 113.78 1q5r h THR 210 Ca 0.45 -0.47 0.15 0.00 0.77 0.00 0.00 66.41 67.31 1q5r h THR 210 Cb 1.40 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.73 1q5r h THR 210 CO -0.11 0.00 0.61 0.77 0.37 0.00 0.00 175.52 177.15 1q5r h SER 211 N -0.70 0.76 0.68 4.18 4.64 -0.54 0.25 113.55 122.82 1q5r h SER 211 Ca -0.02 0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 1q5r h SER 211 Cb 0.18 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1q5r h SER 211 CO 0.04 0.36 -0.33 -0.08 -0.87 0.00 0.00 176.83 175.95 1q5r h GLU 212 N 0.79 -0.89 -0.44 4.77 4.22 -0.86 -1.57 114.58 120.60 1q5r h GLU 212 Ca 0.50 0.06 0.13 0.00 0.08 0.00 0.00 59.36 60.13 1q5r h GLU 212 Cb 0.73 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 1q5r h GLU 212 CO -0.27 -0.56 0.36 -0.07 -2.18 0.00 0.00 179.01 176.30 1q5r h LEU 213 N -1.09 0.00 0.13 1.64 3.38 -0.86 -1.52 115.31 116.99 1q5r h LEU 213 Ca -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1q5r h LEU 213 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1q5r h LEU 213 CO 0.15 0.00 -0.06 0.00 0.09 0.00 0.00 178.44 178.62 1q5r h ALA 214 N 1.69 -0.17 -0.71 1.53 0.00 0.07 -2.50 119.26 119.16 1q5r h ALA 214 Ca 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1q5r h ALA 214 Cb 0.93 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1q5r h ALA 214 CO -0.00 -0.44 0.36 0.00 0.00 0.00 0.00 179.25 179.17 1q5r h ARG 215 N -0.49 1.01 -0.89 0.00 3.08 -0.34 -2.34 114.38 114.41 1q5r h ARG 215 Ca -0.02 -0.14 0.05 0.00 0.07 0.00 0.00 59.98 59.95 1q5r h ARG 215 Cb 0.39 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 1q5r h ARG 215 CO 0.03 0.78 0.58 -0.09 -1.07 0.00 0.00 179.97 180.20 1q5r h ARG 216 N 0.99 1.02 -0.50 0.04 2.43 -1.36 -2.10 114.38 114.90 1q5r h ARG 216 Ca 0.25 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1q5r h ARG 216 Cb 0.08 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 1q5r h ARG 216 CO -0.03 0.68 0.28 0.82 -1.51 0.00 0.00 179.97 180.20 1q5r h ILE 217 N 1.05 1.17 -1.46 1.20 2.04 -0.95 -3.39 117.51 117.17 1q5r h ILE 217 Ca 0.37 -0.42 -0.52 0.00 1.00 0.00 0.00 64.86 65.29 1q5r h ILE 217 Cb 0.12 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1q5r h ILE 217 CO -0.13 0.18 1.59 0.52 0.00 0.00 0.00 178.15 180.32 1q5r n VAL 218 N -4.66 0.05 -0.13 1.67 0.31 -0.79 -5.13 118.33 109.65 1q5r n VAL 218 Ca 0.02 -0.58 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 1q5r n VAL 218 Cb 0.08 -2.37 0.00 0.00 -0.91 0.00 0.00 33.84 30.64 1q5r n VAL 218 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51