#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qf0 n PHE 37 N 0.00 -1.46 -3.82 1.08 7.35 -1.26 -5.15 117.46 114.21 2qf0 n PHE 37 Ca 0.00 -1.90 -0.29 0.00 -0.76 0.00 0.00 57.45 54.50 2qf0 n PHE 37 Cb 0.00 0.52 -0.16 0.00 0.35 0.00 0.00 39.48 40.20 2qf0 n PHE 37 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2qf0 s ASP 38 N -2.81 3.61 0.00 -2.13 3.68 -1.26 -4.95 116.67 112.81 2qf0 s ASP 38 Ca 0.22 -1.21 0.21 0.00 2.13 0.00 0.00 52.55 53.90 2qf0 s ASP 38 Cb -0.01 -0.92 0.35 0.00 -1.45 0.00 0.00 42.92 40.89 2qf0 s ASP 38 CO 0.16 -0.31 1.31 -1.54 0.13 0.00 0.00 175.17 174.92 2qf0 n SER 39 N 4.83 3.22 -0.32 -0.34 3.41 -1.26 -4.67 113.62 118.49 2qf0 n SER 39 Ca -0.08 -1.94 0.16 0.00 -0.26 0.00 0.00 58.87 56.75 2qf0 n SER 39 Cb 0.45 -0.20 0.32 0.00 -0.26 0.00 0.00 64.21 64.52 2qf0 n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qf0 h THR 40 N 4.04 0.12 -0.01 6.66 1.03 -2.06 -0.87 112.91 121.83 2qf0 h THR 40 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 66.41 66.38 2qf0 h THR 40 Cb 0.91 0.04 0.00 0.00 -1.07 0.00 0.00 68.15 68.04 2qf0 h THR 40 CO 0.00 0.01 -0.67 0.47 -0.01 0.00 0.00 175.52 175.32 2qf0 n ASP 41 N -5.37 1.20 -4.73 0.00 8.00 -1.26 -4.94 116.55 109.45 2qf0 n ASP 41 Ca 0.24 -1.00 -0.30 0.00 0.71 0.00 0.00 54.79 54.44 2qf0 n ASP 41 Cb 0.79 0.61 0.12 0.00 -0.02 0.00 0.00 41.12 42.62 2qf0 n ASP 41 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2qf0 s GLU 42 N -2.79 1.68 -0.14 -1.24 2.02 -0.33 -5.03 118.70 112.87 2qf0 s GLU 42 Ca 0.14 1.08 0.01 0.00 0.02 0.00 0.00 54.97 56.21 2qf0 s GLU 42 Cb 0.17 -1.84 -0.01 0.00 0.10 0.00 0.00 34.13 32.56 2qf0 s GLU 42 CO 0.71 -2.02 -0.15 0.99 0.02 0.00 0.00 175.26 174.81 2qf0 s THR 43 N -2.88 2.76 0.31 3.63 2.01 -1.26 -5.06 115.64 115.15 2qf0 s THR 43 Ca 0.63 -0.75 -0.29 0.00 0.31 0.00 0.00 61.69 61.58 2qf0 s THR 43 Cb -0.18 -2.15 -0.10 0.00 0.01 0.00 0.00 72.50 70.08 2qf0 s THR 43 CO 0.57 0.52 1.32 -2.84 -0.69 0.00 0.00 174.62 173.50 2qf0 s PRO 44 N 0.55 4.35 0.28 4.92 0.02 -1.26 -4.97 135.00 138.89 2qf0 s PRO 44 Ca -0.10 2.20 -0.30 0.00 0.02 0.00 0.00 61.00 62.83 2qf0 s PRO 44 Cb -0.16 -3.09 -0.10 0.00 0.02 0.00 0.00 34.50 31.17 2qf0 s PRO 44 CO 0.04 -0.21 1.41 0.00 -0.33 0.00 0.00 177.00 177.90 2qf0 s ALA 45 N -0.90 3.59 0.02 -1.55 0.00 -1.26 -4.99 121.76 116.67 2qf0 s ALA 45 Ca 0.51 1.33 -0.28 0.00 0.00 0.00 0.00 51.96 53.51 2qf0 s ALA 45 Cb -0.40 -3.54 0.07 0.00 0.00 0.00 0.00 23.12 19.26 2qf0 s ALA 45 CO 0.50 -0.74 0.66 0.45 0.00 0.00 0.00 175.76 176.64 2qf0 s SER 46 N 0.10 -0.62 -0.19 0.00 0.15 -1.26 -5.01 113.70 106.87 2qf0 s SER 46 Ca 0.56 0.47 0.16 0.00 0.70 0.00 0.00 55.95 57.83 2qf0 s SER 46 Cb -0.42 0.55 0.46 0.00 -1.71 0.00 0.00 66.02 64.91 2qf0 s SER 46 CO 0.47 -0.72 1.35 -1.22 1.20 0.00 0.00 173.24 174.32 2qf0 n TYR 47 N 0.46 0.69 0.02 3.44 4.02 -1.26 -4.71 117.16 119.82 2qf0 n TYR 47 Ca -0.18 -1.06 0.11 0.00 -0.01 0.00 0.00 57.90 56.76 2qf0 n TYR 47 Cb 0.60 -0.30 0.54 0.00 -0.02 0.00 0.00 39.34 40.16 2qf0 n TYR 47 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 176.86 174.88 2qf0 h ASN 48 N 1.16 0.26 -0.69 7.72 -0.73 -1.95 -1.93 115.58 119.42 2qf0 h ASN 48 Ca 0.04 0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.24 2qf0 h ASN 48 Cb 1.35 -0.05 -0.04 0.00 0.27 0.00 0.00 38.32 39.84 2qf0 h ASN 48 CO 0.19 0.17 0.43 0.25 -0.37 0.00 0.00 177.43 178.09 2qf0 h LEU 49 N 0.29 0.69 -1.02 0.34 5.85 -1.88 -0.56 115.31 119.02 2qf0 h LEU 49 Ca 0.19 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 2qf0 h LEU 49 Cb 0.37 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2qf0 h LEU 49 CO -0.04 0.48 -0.25 0.00 -0.34 0.00 0.00 178.44 178.28 2qf0 h ALA 50 N 1.30 1.18 0.17 1.25 0.00 -1.48 -2.54 119.26 119.14 2qf0 h ALA 50 Ca 0.28 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2qf0 h ALA 50 Cb 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2qf0 h ALA 50 CO -0.12 0.53 -0.08 0.28 0.00 0.00 0.00 179.25 179.86 2qf0 h VAL 51 N 0.35 0.95 -0.22 0.00 2.07 -1.14 -1.02 116.25 117.25 2qf0 h VAL 51 Ca 0.05 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 66.95 2qf0 h VAL 51 Cb 0.64 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2qf0 h VAL 51 CO 0.05 0.15 0.15 0.03 0.02 0.00 0.00 177.57 177.96 2qf0 h ARG 52 N -0.55 0.13 0.01 1.57 3.08 -1.08 -0.27 114.38 117.28 2qf0 h ARG 52 Ca -0.02 -0.01 -0.27 0.00 0.07 0.00 0.00 59.98 59.75 2qf0 h ARG 52 Cb 0.42 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 2qf0 h ARG 52 CO 0.04 0.09 -1.46 0.00 -1.07 0.00 0.00 179.97 177.56 2qf0 h ARG 53 N 0.13 0.03 0.00 0.04 3.08 -1.39 -3.42 114.38 112.84 2qf0 h ARG 53 Ca 0.09 -0.05 -0.29 0.00 0.07 0.00 0.00 59.98 59.80 2qf0 h ARG 53 Cb 0.21 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 2qf0 h ARG 53 CO -0.01 0.74 -2.08 0.00 -1.07 0.00 0.00 179.97 177.54 2qf0 n ALA 54 N -2.51 1.61 -0.15 0.04 0.00 -0.39 -4.52 120.51 114.59 2qf0 n ALA 54 Ca -0.11 -0.80 0.19 0.00 0.00 0.00 0.00 53.44 52.71 2qf0 n ALA 54 Cb 1.01 0.09 0.57 0.00 0.00 0.00 0.00 19.45 21.13 2qf0 n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qf0 h ALA 55 N -0.12 2.30 0.00 0.00 0.00 -1.21 -1.86 119.26 118.37 2qf0 h ALA 55 Ca -0.44 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2qf0 h ALA 55 Cb 1.62 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 2qf0 h ALA 55 CO -0.11 -0.52 -0.10 -1.35 0.00 0.00 0.00 179.25 177.18 2qf0 h PRO 56 N 0.28 0.00 -0.27 0.00 0.11 -1.81 -2.48 132.00 127.82 2qf0 h PRO 56 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 2qf0 h PRO 56 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2qf0 h PRO 56 CO -0.09 0.10 0.00 0.00 -0.21 0.00 0.00 178.00 177.80 2qf0 n ALA 57 N -2.30 2.47 -2.80 -0.75 0.00 -0.70 -4.51 120.51 111.92 2qf0 n ALA 57 Ca -0.02 -0.73 -0.39 0.00 0.00 0.00 0.00 53.44 52.30 2qf0 n ALA 57 Cb 0.21 -0.99 -0.11 0.00 0.00 0.00 0.00 19.45 18.56 2qf0 n ALA 57 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qf0 s VAL 58 N -1.66 4.74 0.27 0.00 1.01 -0.94 -1.27 120.40 122.55 2qf0 s VAL 58 Ca 0.35 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 62.02 2qf0 s VAL 58 Cb 0.20 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 2qf0 s VAL 58 CO 0.28 0.05 0.26 0.68 0.00 0.00 0.00 175.10 176.38 2qf0 s VAL 59 N 1.64 4.44 -0.11 2.92 -7.23 -0.23 -4.59 120.40 117.23 2qf0 s VAL 59 Ca 0.05 -1.29 -0.22 0.00 -1.81 0.00 0.00 61.98 58.71 2qf0 s VAL 59 Cb -0.17 -3.46 -0.03 0.00 0.56 0.00 0.00 36.38 33.28 2qf0 s VAL 59 CO 0.07 -0.30 0.68 0.20 -0.31 0.00 0.00 175.10 175.43 2qf0 s ASN 60 N -3.92 6.89 -0.21 4.85 -0.87 -0.06 -1.23 114.94 120.39 2qf0 s ASN 60 Ca 0.35 1.07 -0.04 0.00 -1.57 0.00 0.00 52.86 52.67 2qf0 s ASN 60 Cb -0.08 -2.39 -0.01 0.00 -0.02 0.00 0.00 41.25 38.75 2qf0 s ASN 60 CO 0.26 -0.17 -0.03 -0.69 -2.57 0.00 0.00 177.10 173.90 2qf0 s VAL 61 N 1.17 3.51 -0.16 1.60 1.01 0.42 -0.45 120.40 127.50 2qf0 s VAL 61 Ca 0.34 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 2qf0 s VAL 61 Cb -0.17 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 2qf0 s VAL 61 CO 0.15 0.43 -0.11 -0.31 0.00 0.00 0.00 175.10 175.26 2qf0 s TYR 62 N 1.32 2.86 -0.47 5.22 1.51 0.81 -0.41 117.35 128.18 2qf0 s TYR 62 Ca 0.04 -0.79 -0.19 0.00 -1.01 0.00 0.00 57.07 55.12 2qf0 s TYR 62 Cb -0.14 -1.93 0.04 0.00 -0.11 0.00 0.00 41.96 39.82 2qf0 s TYR 62 CO -0.01 -0.34 0.61 1.21 -1.11 0.00 0.00 175.55 175.90 2qf0 s ASN 63 N 0.74 6.25 0.03 2.29 3.84 -0.59 -0.92 114.94 126.58 2qf0 s ASN 63 Ca -0.05 -0.69 0.01 0.00 0.21 0.00 0.00 52.86 52.34 2qf0 s ASN 63 Cb -0.15 -2.29 -0.04 0.00 -0.55 0.00 0.00 41.25 38.22 2qf0 s ASN 63 CO 0.02 -0.81 0.09 -0.13 -2.79 0.00 0.00 177.10 173.47 2qf0 s ARG 64 N 2.63 3.02 0.36 0.43 0.52 -0.18 0.18 118.95 125.91 2qf0 s ARG 64 Ca 0.17 -0.56 0.05 0.00 -0.52 0.00 0.00 55.73 54.87 2qf0 s ARG 64 Cb -0.17 -2.82 -0.03 0.00 0.52 0.00 0.00 34.95 32.45 2qf0 s ARG 64 CO 0.14 0.61 0.18 0.20 0.02 0.00 0.00 175.30 176.46 2qf0 s GLY 65 N -2.03 2.38 0.09 -3.53 0.00 0.26 -2.42 107.32 102.07 2qf0 s GLY 65 Ca 0.26 -1.63 -0.20 0.00 0.00 0.00 0.00 44.72 43.15 2qf0 s GLY 65 CO 0.18 -1.65 0.60 1.08 0.00 0.00 0.00 173.10 173.30 2qf0 s LEU 66 N -3.47 4.53 0.36 0.66 1.43 -1.26 -1.40 118.68 119.53 2qf0 s LEU 66 Ca 0.32 1.31 0.00 0.00 -1.03 0.00 0.00 54.13 54.73 2qf0 s LEU 66 Cb 0.03 -2.97 0.00 0.00 0.03 0.00 0.00 46.19 43.28 2qf0 s LEU 66 CO 0.19 0.26 0.00 -3.20 0.23 0.00 0.00 176.35 173.83 2qf0 n ASN 67 N 1.66 -2.12 -1.11 2.29 5.15 -1.26 -4.94 115.26 114.93 2qf0 n ASN 67 Ca -0.09 0.67 -0.05 0.00 -0.60 0.00 0.00 54.58 54.51 2qf0 n ASN 67 Cb 0.50 2.09 0.02 0.00 -0.53 0.00 0.00 39.78 41.86 2qf0 n ASN 67 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 2qf0 n THR 68 N -3.41 -0.60 0.00 -0.44 -1.04 -1.26 -5.30 114.28 102.23 2qf0 n THR 68 Ca 0.00 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2qf0 n THR 68 Cb 0.00 -2.01 0.00 0.00 -1.82 0.00 0.00 70.33 66.50 2qf0 n THR 68 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2qf0 n GLU 75 N -1.38 0.00 -2.59 -2.82 -0.58 -0.49 -5.36 120.64 107.42 2qf0 n GLU 75 Ca 0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 2qf0 n GLU 75 Cb 0.51 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.35 2qf0 n GLU 75 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2qf0 s ILE 76 N -1.67 4.53 -0.26 -3.67 1.01 -1.26 0.89 121.20 120.77 2qf0 s ILE 76 Ca 0.00 1.82 -0.11 0.00 0.00 0.00 0.00 60.65 62.36 2qf0 s ILE 76 Cb 0.00 -4.17 -0.14 0.00 0.01 0.00 0.00 42.46 38.16 2qf0 s ILE 76 CO 0.00 0.07 -0.26 0.54 0.00 0.00 0.00 174.94 175.29 2qf0 n ARG 77 N 4.51 0.61 -4.13 2.79 5.12 0.13 -4.89 116.66 120.80 2qf0 n ARG 77 Ca 0.09 0.27 -0.09 0.00 -1.93 0.00 0.00 57.85 56.18 2qf0 n ARG 77 Cb 0.48 -1.53 -0.10 0.00 -1.16 0.00 0.00 32.46 30.16 2qf0 n ARG 77 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2qf0 s THR 78 N -2.50 0.11 -0.03 0.55 2.01 -1.17 -5.03 115.64 109.57 2qf0 s THR 78 Ca -0.37 -1.86 -0.13 0.00 0.31 0.00 0.00 61.69 59.64 2qf0 s THR 78 Cb 0.13 -1.99 0.02 0.00 0.01 0.00 0.00 72.50 70.67 2qf0 s THR 78 CO 0.53 -0.49 0.29 -1.48 -0.69 0.00 0.00 174.62 172.78 2qf0 s LEU 79 N -3.03 0.92 0.00 4.42 0.05 -1.26 -1.53 118.68 118.25 2qf0 s LEU 79 Ca 0.22 0.16 0.00 0.00 0.05 0.00 0.00 54.13 54.56 2qf0 s LEU 79 Cb 0.07 1.16 0.00 0.00 -2.05 0.00 0.00 46.19 45.37 2qf0 s LEU 79 CO 0.01 -0.37 0.00 0.61 -0.55 0.00 0.00 176.35 176.05 2qf0 n GLY 80 N 1.62 3.58 3.38 -3.48 0.00 0.46 -4.26 105.19 106.49 2qf0 n GLY 80 Ca -0.20 -0.76 -0.19 0.00 0.00 0.00 0.00 46.02 44.87 2qf0 n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qf0 s SER 81 N 1.81 1.90 0.16 1.61 0.01 0.15 -0.44 113.70 118.90 2qf0 s SER 81 Ca 0.00 -1.32 -0.14 0.00 1.31 0.00 0.00 55.95 55.80 2qf0 s SER 81 Cb 0.00 0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.25 2qf0 s SER 81 CO 0.00 -0.60 0.39 -0.83 0.41 0.00 0.00 173.24 172.61 2qf0 s GLY 82 N -3.38 0.03 -0.13 3.44 0.00 -0.36 -3.80 107.32 103.12 2qf0 s GLY 82 Ca 0.34 -0.39 0.02 0.00 0.00 0.00 0.00 44.72 44.69 2qf0 s GLY 82 CO 0.13 -0.48 -0.18 0.14 0.00 0.00 0.00 173.10 172.70 2qf0 s VAL 83 N -3.88 1.75 0.93 1.40 1.01 -0.11 -1.06 120.40 120.44 2qf0 s VAL 83 Ca 0.09 -0.79 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 2qf0 s VAL 83 Cb 0.01 -1.57 0.15 0.00 0.00 0.00 0.00 36.38 34.97 2qf0 s VAL 83 CO -0.05 0.49 1.14 -0.63 0.00 0.00 0.00 175.10 176.04 2qf0 s ILE 84 N 0.96 1.99 0.91 2.22 1.01 -0.40 -1.48 121.20 126.40 2qf0 s ILE 84 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.48 2qf0 s ILE 84 Cb -0.15 -2.73 0.14 0.00 0.01 0.00 0.00 42.46 39.73 2qf0 s ILE 84 CO -0.03 0.00 1.09 1.51 0.00 0.00 0.00 174.94 177.52 2qf0 s ASP 86 N -4.00 3.38 0.59 3.58 1.47 -1.25 -2.26 116.67 118.17 2qf0 s ASP 86 Ca 0.64 1.44 0.29 0.00 1.18 0.00 0.00 52.55 56.11 2qf0 s ASP 86 Cb -0.15 -2.12 1.54 0.00 -0.34 0.00 0.00 42.92 41.85 2qf0 s ASP 86 CO 0.54 -2.69 1.97 1.56 0.68 0.00 0.00 175.17 177.23 2qf0 h GLN 87 N -1.58 0.00 0.00 2.11 1.08 -1.94 -1.38 115.11 113.40 2qf0 h GLN 87 Ca -0.50 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.70 2qf0 h GLN 87 Cb 1.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 2qf0 h GLN 87 CO 0.55 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 178.43 2qf0 h ARG 88 N 0.00 0.00 0.00 1.46 3.08 -1.97 -3.43 114.38 113.51 2qf0 h ARG 88 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2qf0 h ARG 88 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.98 2qf0 h ARG 88 CO -0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 2qf0 n GLY 89 N -1.07 0.85 3.74 0.04 0.00 -0.52 -4.48 105.19 103.75 2qf0 n GLY 89 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2qf0 n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qf0 s TYR 90 N -2.07 3.69 -0.01 1.61 1.51 -1.25 -2.31 117.35 118.51 2qf0 s TYR 90 Ca 0.00 1.70 0.04 0.00 -1.01 0.00 0.00 57.07 57.80 2qf0 s TYR 90 Cb 0.00 -3.20 -0.01 0.00 -0.11 0.00 0.00 41.96 38.64 2qf0 s TYR 90 CO 0.00 -0.30 -0.15 0.42 -1.11 0.00 0.00 175.55 174.41 2qf0 s ILE 91 N -0.54 1.16 -0.08 2.71 1.01 -0.02 -3.95 121.20 121.49 2qf0 s ILE 91 Ca 0.47 -0.62 -0.03 0.00 0.00 0.00 0.00 60.65 60.46 2qf0 s ILE 91 Cb -0.28 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 2qf0 s ILE 91 CO 0.35 0.33 0.06 -0.63 0.00 0.00 0.00 174.94 175.05 2qf0 s ILE 92 N -0.30 4.74 0.14 2.92 1.01 -0.55 0.09 121.20 129.25 2qf0 s ILE 92 Ca 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 60.65 60.52 2qf0 s ILE 92 Cb -0.06 -3.05 0.02 0.00 0.01 0.00 0.00 42.46 39.37 2qf0 s ILE 92 CO -0.00 0.56 0.25 1.07 0.00 0.00 0.00 174.94 176.82 2qf0 n THR 93 N 1.92 0.00 -3.52 2.92 5.66 -0.23 -0.94 114.28 120.09 2qf0 n THR 93 Ca -0.18 -0.44 -0.36 0.00 -3.05 0.00 0.00 64.05 60.02 2qf0 n THR 93 Cb 0.54 0.36 -0.06 0.00 -1.55 0.00 0.00 70.33 69.63 2qf0 n THR 93 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2qf0 s ASN 94 N -1.75 6.72 0.21 1.09 0.02 -1.26 -0.58 114.94 119.38 2qf0 s ASN 94 Ca 0.07 0.89 -0.08 0.00 -1.02 0.00 0.00 52.86 52.72 2qf0 s ASN 94 Cb -0.01 -2.22 0.14 0.00 0.02 0.00 0.00 41.25 39.18 2qf0 s ASN 94 CO 0.05 0.20 1.76 0.50 0.02 0.00 0.00 177.10 179.63 2qf0 h LYS 95 N 3.97 1.17 0.00 -0.60 3.64 -1.15 -2.64 116.57 120.94 2qf0 h LYS 95 Ca -0.50 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 58.63 2qf0 h LYS 95 Cb 1.20 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 2qf0 h LYS 95 CO 0.65 0.97 -0.09 1.12 -2.27 0.00 0.00 179.45 179.83 2qf0 h HIS 96 N 1.12 0.00 -0.05 1.91 2.07 -1.94 -1.86 115.15 116.40 2qf0 h HIS 96 Ca 0.25 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.60 2qf0 h HIS 96 Cb 0.27 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.24 2qf0 h HIS 96 CO 0.02 0.09 -0.73 0.28 -3.07 0.00 0.00 177.93 174.52 2qf0 h VAL 97 N 0.00 1.42 -0.02 6.12 2.07 -1.85 -3.33 116.25 120.65 2qf0 h VAL 97 Ca -0.00 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 65.29 2qf0 h VAL 97 Cb 0.47 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 2qf0 h VAL 97 CO 0.01 0.66 -0.00 2.30 0.02 0.00 0.00 177.57 180.56 2qf0 n ILE 98 N -3.79 0.00 -1.70 4.57 -6.64 -0.94 -4.58 119.36 106.27 2qf0 n ILE 98 Ca -0.03 -0.50 -0.41 0.00 -1.77 0.00 0.00 62.75 60.03 2qf0 n ILE 98 Cb 0.71 1.39 0.01 0.00 -1.44 0.00 0.00 39.64 40.31 2qf0 n ILE 98 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 2qf0 n ASN 99 N 1.06 2.68 -3.83 7.28 3.02 -0.74 -3.20 115.26 121.53 2qf0 n ASN 99 Ca 0.11 1.15 -0.26 0.00 -0.03 0.00 0.00 54.58 55.55 2qf0 n ASN 99 Cb 0.47 -1.50 0.02 0.00 -0.61 0.00 0.00 39.78 38.17 2qf0 n ASN 99 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2qf0 n ASP 100 N 0.41 -2.93 -4.83 6.41 8.00 -1.26 -4.97 116.55 117.37 2qf0 n ASP 100 Ca 0.06 -0.81 -0.36 0.00 0.71 0.00 0.00 54.79 54.38 2qf0 n ASP 100 Cb 0.38 -3.89 -0.07 0.00 -0.02 0.00 0.00 41.12 37.53 2qf0 n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qf0 s ALA 101 N -3.50 3.76 -0.01 2.24 0.00 -1.19 -4.98 121.76 118.07 2qf0 s ALA 101 Ca 0.34 -0.67 -0.08 0.00 0.00 0.00 0.00 51.96 51.55 2qf0 s ALA 101 Cb -0.17 -1.90 -0.30 0.00 0.00 0.00 0.00 23.12 20.75 2qf0 s ALA 101 CO 0.83 0.57 0.81 -0.44 0.00 0.00 0.00 175.76 177.53 2qf0 h ASP 102 N 5.17 0.55 -3.51 0.00 3.32 -1.85 -3.46 116.42 116.63 2qf0 h ASP 102 Ca -0.53 -0.74 -0.23 0.00 0.02 0.00 0.00 57.03 55.54 2qf0 h ASP 102 Cb 1.22 -0.18 -0.31 0.00 0.22 0.00 0.00 39.33 40.28 2qf0 h ASP 102 CO 0.59 1.62 -0.59 -1.58 -1.72 0.00 0.00 179.24 177.55 2qf0 s GLN 103 N -2.60 0.10 -0.22 3.56 0.74 -1.14 -5.04 119.66 115.06 2qf0 s GLN 103 Ca -0.12 0.32 -0.04 0.00 0.05 0.00 0.00 55.36 55.57 2qf0 s GLN 103 Cb 0.06 -0.12 -0.01 0.00 1.10 0.00 0.00 33.01 34.03 2qf0 s GLN 103 CO 0.87 -0.13 -0.03 0.42 -0.55 0.00 0.00 175.29 175.87 2qf0 s ILE 104 N 0.91 3.50 -0.08 -2.34 1.01 -1.26 -1.01 121.20 121.94 2qf0 s ILE 104 Ca -0.07 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.13 2qf0 s ILE 104 Cb -0.09 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 2qf0 s ILE 104 CO -0.04 0.42 -0.06 -0.63 0.00 0.00 0.00 174.94 174.63 2qf0 s ILE 105 N 1.42 3.81 -0.09 2.92 -1.09 -0.10 -0.75 121.20 127.33 2qf0 s ILE 105 Ca 0.05 -0.44 0.03 0.00 -2.23 0.00 0.00 60.65 58.07 2qf0 s ILE 105 Cb -0.14 -2.57 -0.01 0.00 -1.58 0.00 0.00 42.46 38.15 2qf0 s ILE 105 CO -0.02 0.59 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.39 2qf0 s VAL 106 N -0.74 2.47 -0.11 2.92 1.01 -0.08 -0.14 120.40 125.73 2qf0 s VAL 106 Ca 0.11 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.21 2qf0 s VAL 106 Cb -0.11 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.32 2qf0 s VAL 106 CO 0.02 0.56 -0.15 0.00 0.00 0.00 0.00 175.10 175.53 2qf0 s ALA 107 N 0.03 1.69 0.31 5.51 0.00 0.40 -1.28 121.76 128.44 2qf0 s ALA 107 Ca -0.08 -0.74 -0.08 0.00 0.00 0.00 0.00 51.96 51.07 2qf0 s ALA 107 Cb -0.15 -0.85 -0.06 0.00 0.00 0.00 0.00 23.12 22.06 2qf0 s ALA 107 CO 0.05 -0.11 0.62 -0.51 0.00 0.00 0.00 175.76 175.81 2qf0 s LEU 108 N 1.05 4.01 0.52 0.00 1.02 -0.56 -0.88 118.68 123.84 2qf0 s LEU 108 Ca -0.05 0.88 0.26 0.00 0.02 0.00 0.00 54.13 55.24 2qf0 s LEU 108 Cb -0.15 -3.71 1.43 0.00 0.02 0.00 0.00 46.19 43.78 2qf0 s LEU 108 CO -0.03 -0.24 2.08 1.56 0.02 0.00 0.00 176.35 179.75 2qf0 h GLN 109 N 1.71 0.00 0.00 1.70 1.08 -1.81 -1.98 115.11 115.80 2qf0 h GLN 109 Ca -0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 2qf0 h GLN 109 Cb 1.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 2qf0 h GLN 109 CO 0.66 0.12 0.00 -0.40 -0.95 0.00 0.00 178.83 178.26 2qf0 n ASP 110 N -3.73 0.00 0.00 1.46 5.68 -1.26 -4.88 116.55 113.81 2qf0 n ASP 110 Ca -0.02 -0.84 0.00 0.00 -0.50 0.00 0.00 54.79 53.43 2qf0 n ASP 110 Cb 0.23 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 2qf0 n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qf0 n GLY 111 N 0.54 1.80 3.76 6.12 0.00 -0.74 -5.08 105.19 111.57 2qf0 n GLY 111 Ca 0.17 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 2qf0 n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qf0 s ARG 112 N 0.00 3.54 -0.04 1.61 0.52 -1.26 -4.81 118.95 118.51 2qf0 s ARG 112 Ca 0.00 2.19 0.04 0.00 -0.52 0.00 0.00 55.73 57.43 2qf0 s ARG 112 Cb 0.00 -2.48 0.00 0.00 0.52 0.00 0.00 34.95 32.99 2qf0 s ARG 112 CO 0.00 -0.86 -0.15 0.08 0.02 0.00 0.00 175.30 174.40 2qf0 s VAL 113 N -1.31 1.24 0.08 3.52 1.01 -1.26 -1.49 120.40 122.20 2qf0 s VAL 113 Ca 0.65 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 62.07 2qf0 s VAL 113 Cb -0.39 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 2qf0 s VAL 113 CO 0.48 0.37 -0.12 -0.36 0.00 0.00 0.00 175.10 175.46 2qf0 s PHE 114 N 0.17 1.15 -0.06 5.22 0.40 -0.40 -5.00 117.98 119.45 2qf0 s PHE 114 Ca -0.05 -0.53 -0.17 0.00 -0.60 0.00 0.00 56.93 55.58 2qf0 s PHE 114 Cb -0.12 -0.63 -0.05 0.00 0.51 0.00 0.00 43.02 42.73 2qf0 s PHE 114 CO 0.02 0.04 0.46 -2.00 0.70 0.00 0.00 175.22 174.44 2qf0 s GLU 115 N -2.14 4.20 0.00 0.44 2.12 -1.26 -0.90 118.70 121.15 2qf0 s GLU 115 Ca 0.01 0.45 0.03 0.00 0.36 0.00 0.00 54.97 55.82 2qf0 s GLU 115 Cb -0.07 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 2qf0 s GLU 115 CO 0.02 0.37 -0.06 0.00 -0.54 0.00 0.00 175.26 175.04 2qf0 s ALA 116 N -0.08 3.03 -0.10 6.30 0.00 0.08 -4.72 121.76 126.26 2qf0 s ALA 116 Ca 0.25 -1.02 -0.06 0.00 0.00 0.00 0.00 51.96 51.13 2qf0 s ALA 116 Cb -0.16 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 2qf0 s ALA 116 CO 0.12 0.61 0.14 -0.51 0.00 0.00 0.00 175.76 176.12 2qf0 s LEU 117 N -1.41 4.33 -0.15 0.00 2.01 -0.60 -4.35 118.68 118.52 2qf0 s LEU 117 Ca 0.17 0.43 -0.29 0.00 0.01 0.00 0.00 54.13 54.45 2qf0 s LEU 117 Cb -0.11 -2.12 -0.00 0.00 0.01 0.00 0.00 46.19 43.97 2qf0 s LEU 117 CO 0.07 0.39 1.02 -0.22 1.01 0.00 0.00 176.35 178.62 2qf0 s LEU 118 N -1.13 4.19 -0.13 1.79 2.96 -1.26 -1.15 118.68 123.95 2qf0 s LEU 118 Ca 0.16 1.48 0.03 0.00 -0.22 0.00 0.00 54.13 55.58 2qf0 s LEU 118 Cb -0.12 -3.55 -0.24 0.00 0.50 0.00 0.00 46.19 42.78 2qf0 s LEU 118 CO 0.06 -0.53 0.30 0.52 -1.32 0.00 0.00 176.35 175.38 2qf0 n VAL 119 N 4.82 1.64 0.00 1.68 0.31 0.17 -4.97 118.33 121.98 2qf0 n VAL 119 Ca 0.10 -0.70 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 2qf0 n VAL 119 Cb 0.48 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.06 2qf0 n VAL 119 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qf0 n GLY 120 N 1.90 1.66 3.14 2.92 0.00 -1.17 -4.77 105.19 108.87 2qf0 n GLY 120 Ca -0.31 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 2qf0 n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qf0 s SER 121 N 0.00 0.14 -0.28 1.61 1.04 -1.26 0.28 113.70 115.23 2qf0 s SER 121 Ca 0.00 -0.49 0.02 0.00 0.48 0.00 0.00 55.95 55.96 2qf0 s SER 121 Cb 0.00 0.25 0.06 0.00 0.10 0.00 0.00 66.02 66.43 2qf0 s SER 121 CO 0.00 -0.53 -0.07 -0.62 0.98 0.00 0.00 173.24 173.00 2qf0 s ASP 122 N -2.14 4.57 0.22 7.02 2.15 0.40 -4.98 116.67 123.90 2qf0 s ASP 122 Ca -0.05 -1.49 -0.07 0.00 0.43 0.00 0.00 52.55 51.38 2qf0 s ASP 122 Cb -0.01 -1.59 0.34 0.00 -0.30 0.00 0.00 42.92 41.36 2qf0 s ASP 122 CO -0.05 -0.23 1.76 0.77 -0.17 0.00 0.00 175.17 177.26 2qf0 h SER 123 N 7.79 0.37 -0.66 -0.34 4.64 -1.96 0.20 113.55 123.58 2qf0 h SER 123 Ca -0.17 0.07 0.09 0.00 -0.47 0.00 0.00 61.79 61.31 2qf0 h SER 123 Cb 1.04 0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 63.08 2qf0 h SER 123 CO 0.48 0.20 0.30 -0.07 -0.87 0.00 0.00 176.83 176.87 2qf0 h LEU 124 N 0.52 0.36 -0.15 5.97 3.38 -1.96 -3.13 115.31 120.29 2qf0 h LEU 124 Ca 0.35 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.38 2qf0 h LEU 124 Cb 0.41 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2qf0 h LEU 124 CO -0.30 0.21 -0.65 0.35 0.09 0.00 0.00 178.44 178.14 2qf0 n THR 125 N -4.92 0.00 -1.83 0.22 -2.24 -1.09 -4.99 114.28 99.43 2qf0 n THR 125 Ca 0.10 -0.17 -0.08 0.00 -2.27 0.00 0.00 64.05 61.62 2qf0 n THR 125 Cb 0.27 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.52 2qf0 n THR 125 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2qf0 n ASP 126 N -1.15 -3.36 -4.94 3.42 2.03 0.68 -5.00 116.55 108.24 2qf0 n ASP 126 Ca 0.04 0.07 -0.25 0.00 0.52 0.00 0.00 54.79 55.16 2qf0 n ASP 126 Cb 0.25 -2.27 -0.03 0.00 -0.72 0.00 0.00 41.12 38.35 2qf0 n ASP 126 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2qf0 s LEU 127 N -2.24 4.32 -0.03 -2.67 1.43 -1.18 -0.80 118.68 117.51 2qf0 s LEU 127 Ca 0.00 0.14 -0.09 0.00 -1.03 0.00 0.00 54.13 53.15 2qf0 s LEU 127 Cb 0.00 -2.88 0.01 0.00 0.03 0.00 0.00 46.19 43.35 2qf0 s LEU 127 CO 0.00 0.03 0.20 0.00 0.23 0.00 0.00 176.35 176.82 2qf0 s ALA 128 N -1.78 -0.50 -0.13 4.21 0.00 0.25 -0.45 121.76 123.35 2qf0 s ALA 128 Ca 0.34 0.23 -0.01 0.00 0.00 0.00 0.00 51.96 52.52 2qf0 s ALA 128 Cb -0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 2qf0 s ALA 128 CO 0.28 -0.18 -0.11 0.08 0.00 0.00 0.00 175.76 175.83 2qf0 s VAL 129 N -0.85 3.28 0.33 0.00 1.01 0.14 -1.07 120.40 123.24 2qf0 s VAL 129 Ca -0.09 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.39 2qf0 s VAL 129 Cb -0.05 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 2qf0 s VAL 129 CO 0.02 0.52 0.13 -0.76 0.00 0.00 0.00 175.10 175.01 2qf0 s LEU 130 N 0.27 3.27 -0.04 3.92 1.43 0.11 -0.65 118.68 126.99 2qf0 s LEU 130 Ca -0.08 -0.74 -0.02 0.00 -1.03 0.00 0.00 54.13 52.26 2qf0 s LEU 130 Cb -0.15 -1.76 0.03 0.00 0.03 0.00 0.00 46.19 44.34 2qf0 s LEU 130 CO 0.05 -0.26 0.06 -0.75 0.23 0.00 0.00 176.35 175.68 2qf0 s LYS 131 N -3.83 -0.06 0.36 1.70 2.47 -0.30 -0.84 119.74 119.24 2qf0 s LYS 131 Ca 0.37 0.35 0.07 0.00 -1.56 0.00 0.00 55.97 55.20 2qf0 s LYS 131 Cb -0.03 -0.42 -0.07 0.00 -1.46 0.00 0.00 37.83 35.85 2qf0 s LYS 131 CO 0.22 -0.28 -0.03 0.96 0.16 0.00 0.00 175.35 176.38 2qf0 s ILE 132 N 1.88 1.93 -0.15 5.43 -4.36 -0.98 -1.55 121.20 123.40 2qf0 s ILE 132 Ca 0.01 -2.08 -0.29 0.00 -0.26 0.00 0.00 60.65 58.02 2qf0 s ILE 132 Cb -0.12 -2.78 -0.02 0.00 1.25 0.00 0.00 42.46 40.78 2qf0 s ILE 132 CO -0.03 -0.11 1.35 0.21 0.24 0.00 0.00 174.94 176.60 2qf0 s ASN 133 N -3.61 6.86 0.00 4.36 2.47 -1.26 -4.59 114.94 119.17 2qf0 s ASN 133 Ca 0.34 1.78 0.28 0.00 0.42 0.00 0.00 52.86 55.68 2qf0 s ASN 133 Cb 0.07 -2.54 1.06 0.00 -1.45 0.00 0.00 41.25 38.39 2qf0 s ASN 133 CO 0.16 -0.82 1.80 0.00 -3.72 0.00 0.00 177.10 174.52 2qf0 n ALA 134 N 6.80 2.67 -1.69 1.71 0.00 -1.26 -4.90 120.51 123.84 2qf0 n ALA 134 Ca 0.15 -0.17 -0.44 0.00 0.00 0.00 0.00 53.44 52.97 2qf0 n ALA 134 Cb 0.44 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.48 2qf0 n ALA 134 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2qf0 n THR 135 N -1.47 0.07 0.00 0.00 -1.04 -1.26 -1.95 114.28 108.63 2qf0 n THR 135 Ca 0.07 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 2qf0 n THR 135 Cb 0.33 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.08 2qf0 n THR 135 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qf0 n GLY 136 N 3.73 0.79 0.54 3.41 0.00 -1.26 -4.97 105.19 107.44 2qf0 n GLY 136 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2qf0 n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qf0 n GLY 137 N -1.55 -3.51 3.18 -0.02 0.00 -0.82 -5.07 105.19 97.40 2qf0 n GLY 137 Ca 0.00 -1.02 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 2qf0 n GLY 137 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qf0 s LEU 138 N -2.64 2.30 0.16 0.99 1.43 -1.26 -5.06 118.68 114.60 2qf0 s LEU 138 Ca 0.00 -0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 52.15 2qf0 s LEU 138 Cb 0.00 -0.51 -0.07 0.00 0.03 0.00 0.00 46.19 45.64 2qf0 s LEU 138 CO 0.00 -0.09 0.98 -2.84 0.23 0.00 0.00 176.35 174.63 2qf0 s PRO 139 N -1.90 4.73 0.25 1.29 0.02 -1.26 -4.87 135.00 133.26 2qf0 s PRO 139 Ca -0.00 1.51 0.11 0.00 0.02 0.00 0.00 61.00 62.64 2qf0 s PRO 139 Cb -0.09 -3.33 -0.05 0.00 0.02 0.00 0.00 34.50 31.06 2qf0 s PRO 139 CO 0.02 0.28 -0.16 0.95 -0.33 0.00 0.00 177.00 177.76 2qf0 s THR 140 N -0.42 2.69 0.15 0.99 -4.23 -1.26 -4.58 115.64 108.98 2qf0 s THR 140 Ca 0.45 -2.20 -0.29 0.00 -1.18 0.00 0.00 61.69 58.48 2qf0 s THR 140 Cb -0.25 -2.39 -0.07 0.00 1.34 0.00 0.00 72.50 71.13 2qf0 s THR 140 CO 0.32 -0.32 0.93 -0.51 -0.54 0.00 0.00 174.62 174.49 2qf0 s ILE 141 N -2.27 4.38 0.14 2.99 1.10 -0.96 -4.72 121.20 121.87 2qf0 s ILE 141 Ca 0.28 2.02 -0.31 0.00 -0.51 0.00 0.00 60.65 62.13 2qf0 s ILE 141 Cb -0.06 -4.30 -0.09 0.00 0.15 0.00 0.00 42.46 38.16 2qf0 s ILE 141 CO 0.15 0.39 1.54 -2.84 -2.11 0.00 0.00 174.94 172.07 2qf0 s PRO 142 N -0.42 4.23 -0.09 3.50 0.02 -1.26 -4.94 135.00 136.05 2qf0 s PRO 142 Ca 0.44 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.76 2qf0 s PRO 142 Cb -0.24 -3.22 0.02 0.00 0.02 0.00 0.00 34.50 31.08 2qf0 s PRO 142 CO 0.30 -0.59 -0.08 0.42 -0.33 0.00 0.00 177.00 176.72 2qf0 s ILE 143 N 1.29 0.93 -0.52 2.83 1.01 -1.26 -1.30 121.20 124.18 2qf0 s ILE 143 Ca 0.69 -0.28 -0.00 0.00 0.00 0.00 0.00 60.65 61.06 2qf0 s ILE 143 Cb -0.42 -0.93 0.14 0.00 0.01 0.00 0.00 42.46 41.26 2qf0 s ILE 143 CO 0.31 0.33 0.31 0.21 0.00 0.00 0.00 174.94 176.10 2qf0 s ASN 144 N 1.34 4.97 0.67 3.58 3.84 -1.26 -4.96 114.94 123.12 2qf0 s ASN 144 Ca -0.03 -2.65 0.40 0.00 0.21 0.00 0.00 52.86 50.80 2qf0 s ASN 144 Cb -0.14 -1.77 2.18 0.00 -0.55 0.00 0.00 41.25 40.97 2qf0 s ASN 144 CO -0.04 -0.37 2.23 0.00 -2.79 0.00 0.00 177.10 176.13 2qf0 h ALA 145 N 7.18 1.11 -0.00 1.71 0.00 -1.97 -1.41 119.26 125.88 2qf0 h ALA 145 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2qf0 h ALA 145 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2qf0 h ALA 145 CO 0.68 -0.11 -0.52 0.54 0.00 0.00 0.00 179.25 179.84 2qf0 n ARG 146 N -3.02 0.18 -2.59 0.00 1.74 -1.26 -4.89 116.66 106.82 2qf0 n ARG 146 Ca -0.03 -0.11 -0.42 0.00 -0.77 0.00 0.00 57.85 56.52 2qf0 n ARG 146 Cb 0.17 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.09 2qf0 n ARG 146 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2qf0 s ARG 147 N -2.90 4.46 -0.21 5.56 6.06 -0.53 -5.03 118.95 126.36 2qf0 s ARG 147 Ca 0.13 1.55 -0.05 0.00 -2.50 0.00 0.00 55.73 54.86 2qf0 s ARG 147 Cb 0.18 -3.47 -0.02 0.00 0.06 0.00 0.00 34.95 31.70 2qf0 s ARG 147 CO 0.69 -0.23 -0.01 0.54 -2.50 0.00 0.00 175.30 173.79 2qf0 s VAL 148 N 1.47 3.80 0.29 7.11 0.11 -1.26 -5.02 120.40 126.90 2qf0 s VAL 148 Ca 0.54 -0.36 -0.30 0.00 -2.93 0.00 0.00 61.98 58.93 2qf0 s VAL 148 Cb -0.23 -2.73 -0.11 0.00 -1.53 0.00 0.00 36.38 31.78 2qf0 s VAL 148 CO 0.25 0.42 1.56 -2.84 -3.33 0.00 0.00 175.10 171.15 2qf0 s PRO 149 N 1.21 4.15 -0.03 1.54 0.02 -1.26 -5.02 135.00 135.61 2qf0 s PRO 149 Ca 0.03 2.52 0.07 0.00 0.02 0.00 0.00 61.00 63.64 2qf0 s PRO 149 Cb -0.15 -3.04 -0.02 0.00 0.02 0.00 0.00 34.50 31.32 2qf0 s PRO 149 CO 0.01 -0.58 -0.24 -1.01 -0.33 0.00 0.00 177.00 174.84 2qf0 s HIS 150 N -0.06 2.22 0.16 6.54 3.76 -1.26 -5.08 115.29 121.57 2qf0 s HIS 150 Ca 0.62 -0.51 -0.34 0.00 -0.15 0.00 0.00 55.06 54.69 2qf0 s HIS 150 Cb -0.47 -1.44 -0.14 0.00 1.11 0.00 0.00 32.58 31.64 2qf0 s HIS 150 CO 0.48 -0.10 1.55 -0.89 -0.85 0.00 0.00 174.74 174.93 2qf0 n ILE 151 N 2.66 0.08 0.00 0.60 5.41 -1.26 -1.18 119.36 125.67 2qf0 n ILE 151 Ca -0.16 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.57 2qf0 n ILE 151 Cb 0.52 -1.50 0.00 0.00 -0.71 0.00 0.00 39.64 37.95 2qf0 n ILE 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2qf0 n GLY 152 N 3.26 1.71 3.77 7.39 0.00 -0.06 -4.97 105.19 116.28 2qf0 n GLY 152 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2qf0 n GLY 152 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qf0 s ASP 153 N -1.56 6.63 0.13 1.61 1.01 -0.32 -4.70 116.67 119.47 2qf0 s ASP 153 Ca 0.00 2.79 -0.30 0.00 0.71 0.00 0.00 52.55 55.74 2qf0 s ASP 153 Cb 0.00 -2.65 -0.07 0.00 1.01 0.00 0.00 42.92 41.21 2qf0 s ASP 153 CO 0.00 -0.66 1.23 -0.69 0.21 0.00 0.00 175.17 175.26 2qf0 s VAL 154 N -0.92 3.66 0.13 -1.27 1.01 -1.26 -1.50 120.40 120.26 2qf0 s VAL 154 Ca 0.52 1.29 0.06 0.00 0.00 0.00 0.00 61.98 63.84 2qf0 s VAL 154 Cb -0.42 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 2qf0 s VAL 154 CO 0.54 0.15 -0.13 0.68 0.00 0.00 0.00 175.10 176.34 2qf0 s VAL 155 N 0.51 1.30 -0.07 2.92 -7.23 0.10 -3.74 120.40 114.19 2qf0 s VAL 155 Ca 0.57 -1.83 0.03 0.00 -1.81 0.00 0.00 61.98 58.94 2qf0 s VAL 155 Cb -0.32 -1.63 0.00 0.00 0.56 0.00 0.00 36.38 34.99 2qf0 s VAL 155 CO 0.33 -0.52 -0.18 -0.76 -0.31 0.00 0.00 175.10 173.67 2qf0 s LEU 156 N -2.69 1.87 -0.08 1.32 1.43 -0.11 -0.90 118.68 119.52 2qf0 s LEU 156 Ca 0.12 -0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 52.67 2qf0 s LEU 156 Cb -0.03 -1.08 -0.05 0.00 0.03 0.00 0.00 46.19 45.07 2qf0 s LEU 156 CO 0.03 0.11 0.34 0.00 0.23 0.00 0.00 176.35 177.06 2qf0 s ALA 157 N 0.39 3.67 -0.11 4.21 0.00 0.13 -2.08 121.76 127.98 2qf0 s ALA 157 Ca -0.14 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.48 2qf0 s ALA 157 Cb -0.16 -2.35 0.02 0.00 0.00 0.00 0.00 23.12 20.64 2qf0 s ALA 157 CO 0.05 0.34 -0.10 0.42 0.00 0.00 0.00 175.76 176.48 2qf0 s ILE 158 N -0.46 1.16 0.00 0.00 1.01 -0.08 -0.91 121.20 121.92 2qf0 s ILE 158 Ca 0.21 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.47 2qf0 s ILE 158 Cb -0.15 -1.14 0.00 0.00 0.01 0.00 0.00 42.46 41.18 2qf0 s ILE 158 CO 0.09 0.39 0.00 0.61 0.00 0.00 0.00 174.94 176.03 2qf0 n GLY 159 N 4.76 1.36 2.43 6.18 0.00 -0.94 -2.21 105.19 116.77 2qf0 n GLY 159 Ca -0.15 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 44.81 2qf0 n GLY 159 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qf0 n ASN 160 N -0.25 2.97 -4.75 1.61 5.15 -1.12 0.14 115.26 119.00 2qf0 n ASN 160 Ca 0.00 -3.27 -0.41 0.00 -0.60 0.00 0.00 54.58 50.30 2qf0 n ASN 160 Cb 0.00 -0.67 -0.02 0.00 -0.53 0.00 0.00 39.78 38.56 2qf0 n ASN 160 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2qf0 s PRO 161 N -2.10 4.25 -0.75 1.20 0.04 -1.26 -2.54 135.00 133.85 2qf0 s PRO 161 Ca 0.37 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.75 2qf0 s PRO 161 Cb 0.13 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.59 2qf0 s PRO 161 CO -0.05 -0.41 0.00 0.66 0.04 0.00 0.00 177.00 177.24 2qf0 n TYR 162 N 1.85 -1.34 -4.05 0.56 4.02 -0.04 -0.79 117.16 117.36 2qf0 n TYR 162 Ca 0.05 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.63 2qf0 n TYR 162 Cb 0.40 -2.12 -0.01 0.00 -0.02 0.00 0.00 39.34 37.60 2qf0 n TYR 162 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2qf0 n ASN 163 N -1.23 -2.90 0.07 7.72 5.15 -1.05 -4.84 115.26 118.18 2qf0 n ASN 163 Ca -0.09 -0.94 0.13 0.00 -0.60 0.00 0.00 54.58 53.08 2qf0 n ASN 163 Cb 0.49 -3.20 0.30 0.00 -0.53 0.00 0.00 39.78 36.84 2qf0 n ASN 163 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2qf0 n LEU 164 N -4.47 0.71 0.00 1.20 4.77 0.03 -5.03 117.00 114.20 2qf0 n LEU 164 Ca -0.04 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2qf0 n LEU 164 Cb 0.56 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2qf0 n LEU 164 CO 0.80 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 2qf0 n GLY 165 N 1.34 3.00 3.59 -0.72 0.00 -1.26 -5.02 105.19 106.12 2qf0 n GLY 165 Ca 0.05 -1.99 -0.53 0.00 0.00 0.00 0.00 46.02 43.55 2qf0 n GLY 165 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2qf0 n GLN 166 N -0.56 1.07 -4.78 1.61 7.27 -1.26 -4.44 117.38 116.29 2qf0 n GLN 166 Ca 0.00 0.39 -0.25 0.00 0.07 0.00 0.00 57.00 57.21 2qf0 n GLN 166 Cb 0.00 -2.02 -0.15 0.00 2.41 0.00 0.00 30.24 30.48 2qf0 n GLN 166 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2qf0 s THR 167 N 0.68 1.40 -0.18 1.69 2.01 0.36 -4.96 115.64 116.64 2qf0 s THR 167 Ca 0.86 -0.82 -0.03 0.00 0.31 0.00 0.00 61.69 62.01 2qf0 s THR 167 Cb -0.98 -1.17 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 2qf0 s THR 167 CO 0.49 0.34 -0.06 -0.63 -0.69 0.00 0.00 174.62 174.07 2qf0 s ILE 168 N -0.48 3.42 0.15 1.82 -1.09 -1.26 -2.22 121.20 121.54 2qf0 s ILE 168 Ca 0.06 -0.50 0.10 0.00 -2.23 0.00 0.00 60.65 58.08 2qf0 s ILE 168 Cb -0.07 -2.52 -0.04 0.00 -1.58 0.00 0.00 42.46 38.25 2qf0 s ILE 168 CO -0.00 0.46 -0.22 0.42 -1.23 0.00 0.00 174.94 174.37 2qf0 s THR 169 N 0.94 2.02 -0.04 2.92 -4.23 -0.09 -4.93 115.64 112.23 2qf0 s THR 169 Ca -0.01 -1.82 0.06 0.00 -1.18 0.00 0.00 61.69 58.75 2qf0 s THR 169 Cb -0.15 -1.88 -0.02 0.00 1.34 0.00 0.00 72.50 71.80 2qf0 s THR 169 CO 0.01 -0.11 -0.24 -1.58 -0.54 0.00 0.00 174.62 172.16 2qf0 s GLN 170 N -2.38 2.37 0.00 3.99 -0.44 -1.26 0.22 119.66 122.15 2qf0 s GLN 170 Ca 0.14 -0.88 0.00 0.00 -2.50 0.00 0.00 55.36 52.12 2qf0 s GLN 170 Cb -0.08 -2.15 0.00 0.00 -1.64 0.00 0.00 33.01 29.13 2qf0 s GLN 170 CO 0.07 0.49 0.00 0.41 0.50 0.00 0.00 175.29 176.76 2qf0 n GLY 171 N 2.64 3.01 3.24 2.59 0.00 -0.08 -4.50 105.19 112.09 2qf0 n GLY 171 Ca -0.17 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 2qf0 n GLY 171 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qf0 s ILE 172 N -2.03 0.37 -0.36 -0.61 -4.36 -1.26 0.01 121.20 112.96 2qf0 s ILE 172 Ca 0.00 -1.98 -0.29 0.00 -0.26 0.00 0.00 60.65 58.12 2qf0 s ILE 172 Cb 0.00 -2.37 0.02 0.00 1.25 0.00 0.00 42.46 41.36 2qf0 s ILE 172 CO 0.00 -0.20 1.09 -0.63 0.24 0.00 0.00 174.94 175.45 2qf0 s ILE 173 N -3.88 4.43 -0.17 8.37 1.01 -0.56 -2.84 121.20 127.56 2qf0 s ILE 173 Ca 0.32 1.61 0.16 0.00 0.00 0.00 0.00 60.65 62.75 2qf0 s ILE 173 Cb 0.07 -4.46 0.04 0.00 0.01 0.00 0.00 42.46 38.12 2qf0 s ILE 173 CO 0.09 -0.61 1.32 0.28 0.00 0.00 0.00 174.94 176.02 2qf0 h SER 174 N 8.37 0.00 -4.52 3.58 0.02 -0.93 -0.12 113.55 119.96 2qf0 h SER 174 Ca -0.21 0.00 0.29 0.00 -0.84 0.00 0.00 61.79 61.03 2qf0 h SER 174 Cb 1.06 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.42 2qf0 h SER 174 CO 1.06 0.47 0.85 0.00 -1.14 0.00 0.00 176.83 178.07 2qf0 s ALA 175 N -2.98 -2.14 0.39 3.77 0.00 -1.17 -4.90 121.76 114.72 2qf0 s ALA 175 Ca 0.03 1.49 0.04 0.00 0.00 0.00 0.00 51.96 53.51 2qf0 s ALA 175 Cb 0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 2qf0 s ALA 175 CO 0.76 -0.68 0.11 0.95 0.00 0.00 0.00 175.76 176.90 2qf0 s THR 176 N -2.33 0.72 -1.52 0.00 -4.23 -1.26 -0.50 115.64 106.51 2qf0 s THR 176 Ca 0.11 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.58 2qf0 s THR 176 Cb 0.00 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.41 2qf0 s THR 176 CO -0.04 0.00 0.34 0.61 -0.54 0.00 0.00 174.62 174.99 2qf0 n GLY 177 N -0.85 -0.51 1.78 3.99 0.00 -0.96 -4.91 105.19 103.72 2qf0 n GLY 177 Ca -0.05 0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.11 2qf0 n GLY 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qf0 n ARG 178 N -3.54 4.54 -1.56 1.61 5.12 -1.26 -4.70 116.66 116.88 2qf0 n ARG 178 Ca -0.14 -2.91 -0.13 0.00 -1.93 0.00 0.00 57.85 52.73 2qf0 n ARG 178 Cb 0.63 -2.19 -0.10 0.00 -1.16 0.00 0.00 32.46 29.64 2qf0 n ARG 178 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2qf0 n ASN 188 N 0.63 1.32 -4.08 0.55 3.02 -1.26 -5.02 115.26 110.42 2qf0 n ASN 188 Ca 0.26 -2.17 -0.15 0.00 -0.03 0.00 0.00 54.58 52.49 2qf0 n ASN 188 Cb 1.11 -1.67 -0.12 0.00 -0.61 0.00 0.00 39.78 38.49 2qf0 n ASN 188 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2qf0 s PHE 189 N 16.15 0.79 -0.08 3.10 0.08 -1.26 -4.48 117.98 132.28 2qf0 s PHE 189 Ca 0.83 -0.47 -0.08 0.00 0.12 0.00 0.00 56.93 57.34 2qf0 s PHE 189 Cb -0.08 -0.47 -0.04 0.00 -0.57 0.00 0.00 43.02 41.86 2qf0 s PHE 189 CO 0.16 -0.05 0.19 -0.51 -0.10 0.00 0.00 175.22 174.92 2qf0 s LEU 190 N -1.52 4.40 -0.04 -0.37 1.43 0.17 -2.27 118.68 120.47 2qf0 s LEU 190 Ca -0.07 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 2qf0 s LEU 190 Cb -0.10 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 2qf0 s LEU 190 CO 0.01 0.37 -0.02 -1.58 0.23 0.00 0.00 176.35 175.36 2qf0 s GLN 191 N -1.21 2.82 0.05 1.70 0.74 0.35 -0.65 119.66 123.45 2qf0 s GLN 191 Ca 0.19 -0.54 -0.05 0.00 0.05 0.00 0.00 55.36 55.00 2qf0 s GLN 191 Cb -0.13 -2.68 -0.01 0.00 1.10 0.00 0.00 33.01 31.29 2qf0 s GLN 191 CO 0.08 0.66 0.09 -0.08 -0.55 0.00 0.00 175.29 175.49 2qf0 s THR 192 N -0.96 0.15 -0.50 -0.34 -1.32 0.68 -0.21 115.64 113.14 2qf0 s THR 192 Ca 0.16 -1.21 0.16 0.00 -1.21 0.00 0.00 61.69 59.59 2qf0 s THR 192 Cb -0.11 -1.04 0.60 0.00 -1.51 0.00 0.00 72.50 70.44 2qf0 s THR 192 CO 0.06 -0.67 1.51 -0.90 -2.21 0.00 0.00 174.62 172.41 2qf0 n ASP 193 N 0.57 4.32 -4.65 8.08 5.75 -1.13 -0.93 116.55 128.55 2qf0 n ASP 193 Ca -0.18 -2.73 -0.43 0.00 -0.01 0.00 0.00 54.79 51.44 2qf0 n ASP 193 Cb 0.59 -0.53 -0.02 0.00 -1.03 0.00 0.00 41.12 40.13 2qf0 n ASP 193 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qf0 s ALA 194 N -2.34 3.60 -0.29 2.12 0.00 -1.26 -4.66 121.76 118.92 2qf0 s ALA 194 Ca 0.44 0.35 -0.39 0.00 0.00 0.00 0.00 51.96 52.35 2qf0 s ALA 194 Cb 0.32 -3.65 -0.15 0.00 0.00 0.00 0.00 23.12 19.64 2qf0 s ALA 194 CO 0.15 -1.30 1.82 0.43 0.00 0.00 0.00 175.76 176.85 2qf0 n SER 195 N 6.82 2.38 -4.35 0.00 7.64 -1.26 -4.84 113.62 120.00 2qf0 n SER 195 Ca 0.14 0.98 -0.32 0.00 1.01 0.00 0.00 58.87 60.68 2qf0 n SER 195 Cb 0.45 -1.16 -0.15 0.00 -1.01 0.00 0.00 64.21 62.34 2qf0 n SER 195 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2qf0 s ILE 196 N 4.11 2.46 0.23 0.44 -1.09 -1.26 -4.79 121.20 121.30 2qf0 s ILE 196 Ca 1.00 -0.93 0.00 0.00 -2.23 0.00 0.00 60.65 58.49 2qf0 s ILE 196 Cb -1.04 -1.92 -0.04 0.00 -1.58 0.00 0.00 42.46 37.88 2qf0 s ILE 196 CO 0.63 0.57 0.13 0.20 -1.23 0.00 0.00 174.94 175.25 2qf0 s ASN 197 N -0.40 0.64 0.08 3.58 0.01 -1.26 -4.90 114.94 112.69 2qf0 s ASN 197 Ca 0.04 -1.42 -0.34 0.00 -0.71 0.00 0.00 52.86 50.43 2qf0 s ASN 197 Cb -0.12 0.32 -0.13 0.00 0.41 0.00 0.00 41.25 41.73 2qf0 s ASN 197 CO 0.02 -0.82 1.70 1.57 -1.51 0.00 0.00 177.10 178.05 2qf0 n HIS 198 N -0.37 2.33 0.00 2.20 -0.00 -1.26 -0.92 115.22 117.20 2qf0 n HIS 198 Ca 0.02 0.14 0.00 0.00 -0.00 0.00 0.00 57.72 57.88 2qf0 n HIS 198 Cb 0.66 -2.60 0.00 0.00 -0.00 0.00 0.00 29.99 28.05 2qf0 n HIS 198 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2qf0 n GLY 199 N 3.80 2.46 0.16 1.57 0.00 -1.26 -0.86 105.19 111.06 2qf0 n GLY 199 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 2qf0 n GLY 199 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2qf0 h ASN 200 N 0.00 0.00 -2.19 1.61 4.21 -1.24 -2.97 115.58 115.00 2qf0 h ASN 200 Ca 0.00 0.00 -0.61 0.00 1.21 0.00 0.00 56.30 56.90 2qf0 h ASN 200 Cb 0.00 0.00 0.07 0.00 -1.12 0.00 0.00 38.32 37.27 2qf0 h ASN 200 CO 0.00 0.21 0.60 -1.20 -1.29 0.00 0.00 177.43 175.74 2qf0 n SER 201 N -3.01 2.42 0.00 5.81 7.64 -1.26 -0.94 113.62 124.29 2qf0 n SER 201 Ca 0.01 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.00 2qf0 n SER 201 Cb 0.63 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 2qf0 n SER 201 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qf0 n GLY 202 N 2.68 1.48 3.91 0.23 0.00 -0.10 -0.67 105.19 112.73 2qf0 n GLY 202 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2qf0 n GLY 202 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qf0 s GLY 203 N -2.00 1.79 0.19 -0.02 0.00 -0.11 -3.34 107.32 103.82 2qf0 s GLY 203 Ca 0.00 -1.24 -0.04 0.00 0.00 0.00 0.00 44.72 43.44 2qf0 s GLY 203 CO 0.00 -0.44 0.42 0.00 0.00 0.00 0.00 173.10 173.08 2qf0 s ALA 204 N -3.86 3.77 -0.18 3.20 0.00 -0.94 -1.05 121.76 122.69 2qf0 s ALA 204 Ca 0.75 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.08 2qf0 s ALA 204 Cb -0.03 -2.13 0.04 0.00 0.00 0.00 0.00 23.12 21.00 2qf0 s ALA 204 CO 0.54 0.52 -0.08 -1.17 0.00 0.00 0.00 175.76 175.56 2qf0 s LEU 205 N -3.02 2.00 0.20 0.00 2.96 -0.66 -0.90 118.68 119.25 2qf0 s LEU 205 Ca 0.41 -0.79 0.07 0.00 -0.22 0.00 0.00 54.13 53.60 2qf0 s LEU 205 Cb -0.11 -1.10 -0.05 0.00 0.50 0.00 0.00 46.19 45.43 2qf0 s LEU 205 CO 0.27 -0.16 -0.14 0.68 -1.32 0.00 0.00 176.35 175.68 2qf0 s VAL 206 N 1.49 1.69 0.34 1.68 -7.23 -0.88 -2.33 120.40 115.17 2qf0 s VAL 206 Ca -0.00 -2.20 -0.01 0.00 -1.81 0.00 0.00 61.98 57.96 2qf0 s VAL 206 Cb -0.16 -2.03 0.07 0.00 0.56 0.00 0.00 36.38 34.82 2qf0 s VAL 206 CO -0.08 -0.60 0.47 -0.46 -0.31 0.00 0.00 175.10 174.12 2qf0 n ASN 207 N -0.37 0.57 0.07 4.85 0.23 -0.47 -0.94 115.26 119.21 2qf0 n ASN 207 Ca -0.08 -1.50 0.07 0.00 -0.53 0.00 0.00 54.58 52.54 2qf0 n ASN 207 Cb 0.60 -0.31 0.34 0.00 -2.08 0.00 0.00 39.78 38.33 2qf0 n ASN 207 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2qf0 n SER 208 N -2.99 0.30 -0.02 0.53 3.41 -1.25 -0.56 113.62 113.04 2qf0 n SER 208 Ca 0.08 0.61 0.11 0.00 -0.26 0.00 0.00 58.87 59.40 2qf0 n SER 208 Cb 0.27 -0.66 0.05 0.00 -0.26 0.00 0.00 64.21 63.62 2qf0 n SER 208 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qf0 n LEU 209 N -1.86 0.82 0.00 1.04 4.77 -1.26 -3.93 117.00 116.57 2qf0 n LEU 209 Ca 0.01 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 2qf0 n LEU 209 Cb 0.10 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2qf0 n LEU 209 CO 0.10 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2qf0 n GLY 210 N 1.49 0.76 3.76 -0.72 0.00 0.27 -4.72 105.19 106.04 2qf0 n GLY 210 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 2qf0 n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qf0 s GLU 211 N -0.56 4.68 1.09 1.61 2.02 -1.26 -4.22 118.70 122.07 2qf0 s GLU 211 Ca 0.00 1.59 -0.14 0.00 0.02 0.00 0.00 54.97 56.44 2qf0 s GLU 211 Cb 0.00 -3.12 0.24 0.00 0.10 0.00 0.00 34.13 31.35 2qf0 s GLU 211 CO 0.00 0.32 1.07 -1.17 0.02 0.00 0.00 175.26 175.50 2qf0 s LEU 212 N -1.53 1.13 0.00 1.80 2.96 -0.42 -1.37 118.68 121.25 2qf0 s LEU 212 Ca 0.45 1.16 -0.04 0.00 -0.22 0.00 0.00 54.13 55.48 2qf0 s LEU 212 Cb -0.27 -3.18 0.16 0.00 0.50 0.00 0.00 46.19 43.41 2qf0 s LEU 212 CO 0.34 -3.65 1.08 0.61 -1.32 0.00 0.00 176.35 173.41 2qf0 n GLY 214 N -0.51 0.16 3.38 7.98 0.00 -0.98 -4.79 105.19 110.41 2qf0 n GLY 214 Ca 0.05 -1.96 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 2qf0 n GLY 214 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qf0 s ILE 215 N -3.29 3.84 0.36 -0.61 -1.09 0.27 -1.66 121.20 119.03 2qf0 s ILE 215 Ca 0.69 -0.33 -0.28 0.00 -2.23 0.00 0.00 60.65 58.50 2qf0 s ILE 215 Cb -0.03 -2.78 -0.10 0.00 -1.58 0.00 0.00 42.46 37.97 2qf0 s ILE 215 CO 0.46 0.38 1.31 0.20 -1.23 0.00 0.00 174.94 176.06 2qf0 s ASN 216 N 1.54 6.56 0.00 3.58 0.01 -0.22 -0.69 114.94 125.72 2qf0 s ASN 216 Ca 0.06 2.69 0.00 0.00 -0.71 0.00 0.00 52.86 54.90 2qf0 s ASN 216 Cb -0.15 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 38.87 2qf0 s ASN 216 CO 0.00 -0.68 0.00 0.41 -1.51 0.00 0.00 177.10 175.32 2qf0 n THR 217 N 0.50 0.00 -4.60 1.60 -1.04 -0.15 -0.92 114.28 109.67 2qf0 n THR 217 Ca 0.02 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.73 2qf0 n THR 217 Cb 0.42 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.85 2qf0 n THR 217 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2qf0 s LEU 218 N 0.00 2.64 0.54 -4.42 2.01 -1.26 -4.26 118.68 113.93 2qf0 s LEU 218 Ca 0.00 -1.46 0.06 0.00 0.01 0.00 0.00 54.13 52.75 2qf0 s LEU 218 Cb 0.00 -0.89 0.06 0.00 0.01 0.00 0.00 46.19 45.36 2qf0 s LEU 218 CO 0.00 -0.66 0.74 -0.44 1.01 0.00 0.00 176.35 176.99 2qf0 s SER 219 N -3.83 5.22 -0.01 2.29 0.01 -1.26 -1.45 113.70 114.67 2qf0 s SER 219 Ca 0.23 -0.50 -0.26 0.00 1.31 0.00 0.00 55.95 56.73 2qf0 s SER 219 Cb 0.05 -0.26 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 2qf0 s SER 219 CO 0.12 -1.18 0.81 0.12 0.41 0.00 0.00 173.24 173.52 2qf0 s PHE 220 N -2.63 3.66 -0.02 2.43 2.19 0.38 -4.92 117.98 119.07 2qf0 s PHE 220 Ca 0.59 1.47 0.08 0.00 0.33 0.00 0.00 56.93 59.40 2qf0 s PHE 220 Cb -0.08 -2.91 -0.12 0.00 -1.31 0.00 0.00 43.02 38.61 2qf0 s PHE 220 CO 0.37 0.12 0.14 -0.40 1.83 0.00 0.00 175.22 177.29 2qf0 n ASP 221 N 3.46 3.22 -4.67 6.13 5.75 -1.26 -4.60 116.55 124.58 2qf0 n ASP 221 Ca 0.01 0.00 -0.47 0.00 -0.01 0.00 0.00 54.79 54.32 2qf0 n ASP 221 Cb 0.51 1.23 -0.04 0.00 -1.03 0.00 0.00 41.12 41.79 2qf0 n ASP 221 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qf0 n LYS 222 N -1.86 2.33 -4.70 0.11 5.02 -1.26 -4.84 118.16 112.96 2qf0 n LYS 222 Ca -0.03 0.85 -0.27 0.00 -2.02 0.00 0.00 58.31 56.84 2qf0 n LYS 222 Cb 0.30 -2.74 -0.17 0.00 -0.02 0.00 0.00 35.03 32.40 2qf0 n LYS 222 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2qf0 s SER 223 N 4.33 2.18 0.00 4.39 0.15 -1.26 -4.76 113.70 118.72 2qf0 s SER 223 Ca 0.92 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.20 2qf0 s SER 223 Cb -0.63 -1.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.69 2qf0 s SER 223 CO 0.49 0.06 0.00 -0.46 1.20 0.00 0.00 173.24 174.53 2qf0 n ASN 224 N 3.83 0.00 0.00 5.45 6.94 -1.26 -4.46 115.26 125.75 2qf0 n ASN 224 Ca -0.21 0.00 0.03 0.00 -0.02 0.00 0.00 54.58 54.37 2qf0 n ASN 224 Cb 0.52 0.00 0.15 0.00 -2.36 0.00 0.00 39.78 38.09 2qf0 n ASN 224 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2qf0 n ASP 225 N -0.55 0.00 0.00 0.53 -0.08 -1.26 -4.75 116.55 110.45 2qf0 n ASP 225 Ca 0.00 -0.11 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 2qf0 n ASP 225 Cb 0.00 -0.04 0.00 0.00 2.34 0.00 0.00 41.12 43.42 2qf0 n ASP 225 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2qf0 n GLY 226 N -0.69 1.19 3.98 0.27 0.00 -1.26 -5.12 105.19 103.56 2qf0 n GLY 226 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 2qf0 n GLY 226 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2qf0 s GLU 227 N -0.47 1.45 -0.21 1.61 1.03 -1.26 -5.09 118.70 115.76 2qf0 s GLU 227 Ca 0.00 -1.02 -0.03 0.00 0.03 0.00 0.00 54.97 53.95 2qf0 s GLU 227 Cb 0.00 -2.24 -0.00 0.00 -0.80 0.00 0.00 34.13 31.08 2qf0 s GLU 227 CO 0.00 -1.65 -0.07 0.99 -1.33 0.00 0.00 175.26 173.20 2qf0 s THR 228 N -3.29 3.17 0.36 1.83 2.01 -1.26 -4.70 115.64 113.76 2qf0 s THR 228 Ca 0.68 -0.57 -0.28 0.00 0.31 0.00 0.00 61.69 61.83 2qf0 s THR 228 Cb -0.05 -2.42 -0.12 0.00 0.01 0.00 0.00 72.50 69.93 2qf0 s THR 228 CO 0.46 0.45 1.41 -2.65 -0.69 0.00 0.00 174.62 173.60 2qf0 n PRO 229 N 4.67 2.46 -5.20 4.92 -0.02 -1.26 -4.99 135.00 135.58 2qf0 n PRO 229 Ca -0.19 0.86 -0.31 0.00 -2.02 0.00 0.00 63.50 61.85 2qf0 n PRO 229 Cb 0.51 -2.53 -0.16 0.00 -0.02 0.00 0.00 33.50 31.29 2qf0 n PRO 229 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2qf0 s GLU 230 N -2.02 2.45 -1.50 -0.52 2.12 -1.26 -4.80 118.70 113.18 2qf0 s GLU 230 Ca 0.54 -0.86 -0.05 0.00 0.36 0.00 0.00 54.97 54.96 2qf0 s GLU 230 Cb -0.51 -2.07 0.01 0.00 0.26 0.00 0.00 34.13 31.81 2qf0 s GLU 230 CO 0.63 0.35 0.62 0.41 -0.54 0.00 0.00 175.26 176.74 2qf0 n GLY 231 N 2.99 -0.48 2.91 -1.50 0.00 -1.26 -4.99 105.19 102.87 2qf0 n GLY 231 Ca -0.18 0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 2qf0 n GLY 231 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qf0 s ILE 232 N -3.17 1.80 0.17 -0.61 1.01 -1.26 -3.82 121.20 115.33 2qf0 s ILE 232 Ca 0.31 -2.08 0.08 0.00 0.00 0.00 0.00 60.65 58.96 2qf0 s ILE 232 Cb -0.14 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 2qf0 s ILE 232 CO 0.38 -0.64 -0.17 -0.83 0.00 0.00 0.00 174.94 173.67 2qf0 s GLY 233 N 1.08 1.40 0.18 6.18 0.00 -0.10 -0.47 107.32 115.58 2qf0 s GLY 233 Ca 0.11 -1.52 0.11 0.00 0.00 0.00 0.00 44.72 43.43 2qf0 s GLY 233 CO -0.13 -1.58 -0.24 -1.36 0.00 0.00 0.00 173.10 169.79 2qf0 s PHE 234 N -2.21 2.27 -0.01 1.90 0.40 -0.53 -0.23 117.98 119.57 2qf0 s PHE 234 Ca 0.17 -0.37 -0.11 0.00 -0.60 0.00 0.00 56.93 56.02 2qf0 s PHE 234 Cb -0.05 -1.15 0.01 0.00 0.51 0.00 0.00 43.02 42.35 2qf0 s PHE 234 CO 0.07 0.45 0.22 0.00 0.70 0.00 0.00 175.22 176.66 2qf0 s ALA 235 N -1.54 -0.56 -0.17 5.36 0.00 0.17 -0.98 121.76 124.04 2qf0 s ALA 235 Ca 0.19 0.14 -0.21 0.00 0.00 0.00 0.00 51.96 52.07 2qf0 s ALA 235 Cb -0.08 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 2qf0 s ALA 235 CO 0.09 -0.23 0.65 0.42 0.00 0.00 0.00 175.76 176.69 2qf0 s ILE 236 N -1.24 5.02 0.24 0.00 1.01 0.13 0.42 121.20 126.77 2qf0 s ILE 236 Ca -0.13 1.26 -0.31 0.00 0.00 0.00 0.00 60.65 61.46 2qf0 s ILE 236 Cb -0.06 -3.97 -0.13 0.00 0.01 0.00 0.00 42.46 38.30 2qf0 s ILE 236 CO 0.03 0.13 1.40 -2.65 0.00 0.00 0.00 174.94 173.85 2qf0 n PRO 237 N 4.82 2.02 -0.34 2.79 -0.02 -1.26 -0.57 135.00 142.44 2qf0 n PRO 237 Ca -0.01 0.72 0.15 0.00 -2.02 0.00 0.00 63.50 62.34 2qf0 n PRO 237 Cb 0.50 -2.37 0.36 0.00 -0.02 0.00 0.00 33.50 31.97 2qf0 n PRO 237 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2qf0 h PHE 238 N 4.21 0.99 -0.11 6.00 -5.15 -1.89 -1.55 116.94 119.45 2qf0 h PHE 238 Ca -0.45 0.03 0.00 0.00 -0.20 0.00 0.00 57.97 57.36 2qf0 h PHE 238 Cb 1.28 -0.30 -0.01 0.00 0.22 0.00 0.00 35.95 37.14 2qf0 h PHE 238 CO 0.56 0.20 0.06 1.96 -2.00 0.00 0.00 178.31 179.09 2qf0 h GLN 239 N 0.69 0.12 -0.66 6.09 7.50 -1.94 -0.82 115.11 126.09 2qf0 h GLN 239 Ca 0.58 -0.01 -0.06 0.00 0.50 0.00 0.00 58.65 59.66 2qf0 h GLN 239 Cb 1.01 -0.03 -0.03 0.00 0.05 0.00 0.00 27.48 28.48 2qf0 h GLN 239 CO -0.37 0.08 0.17 1.25 -1.50 0.00 0.00 178.83 178.47 2qf0 h LEU 240 N 0.13 0.99 -0.56 1.46 5.85 -1.68 -1.74 115.31 119.76 2qf0 h LEU 240 Ca 0.04 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 2qf0 h LEU 240 Cb -0.00 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 2qf0 h LEU 240 CO -0.02 0.96 0.28 0.00 -0.34 0.00 0.00 178.44 179.32 2qf0 h ALA 241 N 1.07 0.71 -0.52 1.25 0.00 -1.15 0.41 119.26 121.04 2qf0 h ALA 241 Ca 0.21 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2qf0 h ALA 241 Cb 0.35 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2qf0 h ALA 241 CO -0.00 0.26 0.25 1.15 0.00 0.00 0.00 179.25 180.91 2qf0 h THR 242 N 0.75 0.94 0.10 0.00 2.02 -0.97 -2.50 112.91 113.25 2qf0 h THR 242 Ca 0.19 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 67.22 2qf0 h THR 242 Cb 0.09 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 2qf0 h THR 242 CO -0.03 0.09 -0.25 0.50 0.37 0.00 0.00 175.52 176.21 2qf0 h LYS 243 N 0.49 -0.42 -1.47 6.66 1.63 -0.54 -1.31 116.57 121.61 2qf0 h LYS 243 Ca 0.23 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.06 2qf0 h LYS 243 Cb 0.16 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 2qf0 h LYS 243 CO -0.17 -0.28 0.00 -0.89 -3.45 0.00 0.00 179.45 174.65 2qf0 n ILE 244 N -5.37 0.01 0.00 2.00 2.08 0.06 -2.33 119.36 115.82 2qf0 n ILE 244 Ca -0.06 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.25 2qf0 n ILE 244 Cb 0.28 -0.38 0.00 0.00 -0.75 0.00 0.00 39.64 38.79 2qf0 n ILE 244 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2qf0 n ASP 246 N 0.86 0.00 -0.04 4.38 8.00 -0.49 -0.58 116.55 128.67 2qf0 n ASP 246 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 2qf0 n ASP 246 Cb 0.01 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.05 2qf0 n ASP 246 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2qf0 h LYS 247 N 0.00 0.24 -0.99 -1.24 1.57 -1.74 -0.76 116.57 113.66 2qf0 h LYS 247 Ca 0.00 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2qf0 h LYS 247 Cb 0.00 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.23 2qf0 h LYS 247 CO 0.00 0.42 0.65 -0.07 -0.57 0.00 0.00 179.45 179.88 2qf0 h LEU 248 N 0.02 1.09 0.10 2.94 3.38 -1.13 0.21 115.31 121.92 2qf0 h LEU 248 Ca 0.04 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2qf0 h LEU 248 Cb 0.30 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2qf0 h LEU 248 CO 0.00 0.76 -0.05 0.40 0.09 0.00 0.00 178.44 179.64 2qf0 h ILE 249 N 1.27 1.07 -0.57 1.22 2.04 -1.79 -2.63 117.51 118.13 2qf0 h ILE 249 Ca 0.39 -0.68 0.03 0.00 1.00 0.00 0.00 64.86 65.59 2qf0 h ILE 249 Cb -0.04 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 2qf0 h ILE 249 CO -0.11 0.16 0.34 -0.09 0.00 0.00 0.00 178.15 178.46 2qf0 h ARG 250 N -0.45 0.66 0.00 2.37 2.43 -0.79 -1.77 114.38 116.84 2qf0 h ARG 250 Ca -0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2qf0 h ARG 250 Cb 0.37 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2qf0 h ARG 250 CO 0.02 0.44 0.00 -0.25 -1.51 0.00 0.00 179.97 178.67 2qf0 n ASP 251 N -4.76 0.00 -0.82 -3.80 9.92 0.70 -5.09 116.55 112.70 2qf0 n ASP 251 Ca 0.05 -0.23 0.13 0.00 -0.53 0.00 0.00 54.79 54.20 2qf0 n ASP 251 Cb 0.08 -0.22 0.23 0.00 -0.64 0.00 0.00 41.12 40.57 2qf0 n ASP 251 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94