#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xf5 n ILE 2 N 0.00 0.46 -3.91 0.53 -0.00 -1.26 -4.95 119.36 110.23 1xf5 n ILE 2 Ca 0.00 -0.12 -0.37 0.00 -0.00 0.00 0.00 62.75 62.27 1xf5 n ILE 2 Cb 0.00 -1.28 -0.07 0.00 -0.00 0.00 0.00 39.64 38.30 1xf5 n ILE 2 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 1xf5 s VAL 3 N 0.33 5.39 -0.24 1.39 1.01 -1.26 -4.80 120.40 122.22 1xf5 s VAL 3 Ca 0.75 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.87 1xf5 s VAL 3 Cb -0.75 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.29 1xf5 s VAL 3 CO 0.46 0.60 -0.04 -0.04 0.00 0.00 0.00 175.10 176.08 1xf5 s MET 4 N -0.88 3.10 -0.24 2.72 -1.94 -1.26 -1.04 119.30 119.75 1xf5 s MET 4 Ca 0.14 -0.81 -0.09 0.00 -1.71 0.00 0.00 55.69 53.22 1xf5 s MET 4 Cb -0.12 -3.04 -0.04 0.00 2.01 0.00 0.00 34.83 33.63 1xf5 s MET 4 CO 0.03 -0.32 0.12 -1.12 -0.01 0.00 0.00 175.02 173.72 1xf5 s SER 5 N 1.41 5.71 0.00 3.03 0.01 -0.53 -4.33 113.70 119.00 1xf5 s SER 5 Ca 0.03 -0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.31 1xf5 s SER 5 Cb -0.16 -2.03 -0.03 0.00 0.21 0.00 0.00 66.02 64.01 1xf5 s SER 5 CO -0.03 0.03 -0.08 -1.10 0.41 0.00 0.00 173.24 172.47 1xf5 s GLN 6 N 1.25 2.52 -0.13 12.44 -0.21 -1.26 -0.82 119.66 133.44 1xf5 s GLN 6 Ca 0.06 -0.74 -0.29 0.00 0.02 0.00 0.00 55.36 54.41 1xf5 s GLN 6 Cb -0.14 -2.48 0.09 0.00 1.00 0.00 0.00 33.01 31.48 1xf5 s GLN 6 CO 0.05 0.60 0.82 -1.54 -2.12 0.00 0.00 175.29 173.10 1xf5 s SER 7 N -1.38 -0.55 0.93 5.90 1.04 -0.43 -4.49 113.70 114.72 1xf5 s SER 7 Ca 0.17 0.71 -0.12 0.00 0.48 0.00 0.00 55.95 57.18 1xf5 s SER 7 Cb -0.11 0.60 0.15 0.00 0.10 0.00 0.00 66.02 66.76 1xf5 s SER 7 CO 0.07 -0.44 1.11 -2.16 0.98 0.00 0.00 173.24 172.81 1xf5 s PRO 8 N -0.85 0.95 0.44 4.02 0.04 -1.26 0.68 135.00 139.01 1xf5 s PRO 8 Ca -0.05 0.43 0.23 0.00 0.04 0.00 0.00 61.00 61.64 1xf5 s PRO 8 Cb -0.01 -1.80 0.34 0.00 0.04 0.00 0.00 34.50 33.06 1xf5 s PRO 8 CO 0.05 -2.36 1.61 0.66 0.04 0.00 0.00 177.00 177.00 1xf5 h SER 9 N -1.62 0.00 -3.93 6.66 4.64 -1.81 -3.40 113.55 114.08 1xf5 h SER 9 Ca -0.52 -0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.67 1xf5 h SER 9 Cb 1.32 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.17 1xf5 h SER 9 CO 0.60 0.00 -0.31 -0.55 -0.87 0.00 0.00 176.83 175.70 1xf5 s SER 10 N -6.21 -0.35 -0.05 4.97 0.15 -1.26 -0.94 113.70 110.01 1xf5 s SER 10 Ca 0.07 0.66 -0.02 0.00 0.70 0.00 0.00 55.95 57.36 1xf5 s SER 10 Cb 0.05 0.69 0.03 0.00 -1.71 0.00 0.00 66.02 65.08 1xf5 s SER 10 CO 0.67 -0.14 0.11 -0.76 1.20 0.00 0.00 173.24 174.32 1xf5 s LEU 11 N 0.09 0.90 -0.27 3.45 1.43 0.68 -4.90 118.68 120.06 1xf5 s LEU 11 Ca -0.01 0.22 -0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1xf5 s LEU 11 Cb -0.03 0.24 0.05 0.00 0.03 0.00 0.00 46.19 46.48 1xf5 s LEU 11 CO 0.01 -0.13 -0.06 0.00 0.23 0.00 0.00 176.35 176.40 1xf5 s ALA 12 N 1.04 2.69 0.26 4.21 0.00 -1.26 0.32 121.76 129.01 1xf5 s ALA 12 Ca -0.08 -1.67 0.06 0.00 0.00 0.00 0.00 51.96 50.27 1xf5 s ALA 12 Cb -0.11 -1.73 -0.05 0.00 0.00 0.00 0.00 23.12 21.22 1xf5 s ALA 12 CO -0.05 -1.10 -0.06 0.14 0.00 0.00 0.00 175.76 174.70 1xf5 s VAL 13 N 1.22 1.54 0.27 0.00 -7.23 -0.98 -4.86 120.40 110.35 1xf5 s VAL 13 Ca -0.05 -2.12 0.02 0.00 -1.81 0.00 0.00 61.98 58.03 1xf5 s VAL 13 Cb -0.19 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.35 1xf5 s VAL 13 CO -0.04 -0.35 0.43 -0.44 -0.31 0.00 0.00 175.10 174.39 1xf5 s SER 14 N -3.40 6.32 0.20 4.85 0.01 -1.26 -0.69 113.70 119.73 1xf5 s SER 14 Ca 0.28 0.26 -0.33 0.00 1.31 0.00 0.00 55.95 57.48 1xf5 s SER 14 Cb 0.04 -1.95 -0.13 0.00 0.21 0.00 0.00 66.02 64.19 1xf5 s SER 14 CO 0.10 -0.14 1.58 0.00 0.41 0.00 0.00 173.24 175.19 1xf5 n ALA 15 N -1.38 1.75 0.00 1.44 0.00 -1.26 -2.15 120.51 118.92 1xf5 n ALA 15 Ca -0.07 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1xf5 n ALA 15 Cb 0.56 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1xf5 n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xf5 n GLY 16 N 3.15 2.95 3.70 0.00 0.00 -0.52 -4.95 105.19 109.51 1xf5 n GLY 16 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1xf5 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xf5 s GLU 17 N -0.05 1.28 -0.03 1.61 2.02 -0.91 -4.30 118.70 118.32 1xf5 s GLU 17 Ca 0.00 1.17 -0.20 0.00 0.02 0.00 0.00 54.97 55.96 1xf5 s GLU 17 Cb 0.00 -1.79 -0.05 0.00 0.10 0.00 0.00 34.13 32.39 1xf5 s GLU 17 CO 0.00 -2.32 0.55 0.21 0.02 0.00 0.00 175.26 173.72 1xf5 s LYS 18 N -4.79 4.28 -0.04 1.61 2.20 -1.21 -2.85 119.74 118.95 1xf5 s LYS 18 Ca 0.64 0.65 0.07 0.00 -0.36 0.00 0.00 55.97 56.97 1xf5 s LYS 18 Cb -0.20 -3.35 -0.02 0.00 -1.51 0.00 0.00 37.83 32.75 1xf5 s LYS 18 CO 0.58 0.35 -0.25 0.54 -0.36 0.00 0.00 175.35 176.21 1xf5 s VAL 19 N -0.09 2.12 -0.06 4.02 0.11 -0.72 -4.98 120.40 120.79 1xf5 s VAL 19 Ca 0.29 -1.06 0.04 0.00 -2.93 0.00 0.00 61.98 58.32 1xf5 s VAL 19 Cb -0.17 -1.75 -0.00 0.00 -1.53 0.00 0.00 36.38 32.92 1xf5 s VAL 19 CO 0.15 0.58 -0.19 -0.89 -3.33 0.00 0.00 175.10 171.42 1xf5 s THR 20 N -0.39 1.62 -0.03 5.04 2.01 -1.26 -1.08 115.64 121.55 1xf5 s THR 20 Ca 0.03 -0.81 0.05 0.00 0.31 0.00 0.00 61.69 61.28 1xf5 s THR 20 Cb -0.12 -1.40 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 1xf5 s THR 20 CO 0.01 0.46 -0.17 -0.04 -0.69 0.00 0.00 174.62 174.19 1xf5 s MET 21 N 0.14 1.63 0.16 4.92 -1.94 0.14 -4.77 119.30 119.58 1xf5 s MET 21 Ca -0.08 -0.61 0.04 0.00 -1.71 0.00 0.00 55.69 53.33 1xf5 s MET 21 Cb -0.14 -1.48 -0.04 0.00 2.01 0.00 0.00 34.83 35.19 1xf5 s MET 21 CO 0.04 0.30 0.18 -1.12 -0.01 0.00 0.00 175.02 174.41 1xf5 s SER 22 N -0.14 5.79 -0.28 3.03 0.01 0.21 -0.70 113.70 121.63 1xf5 s SER 22 Ca 0.00 -0.03 -0.06 0.00 1.31 0.00 0.00 55.95 57.17 1xf5 s SER 22 Cb -0.10 -1.60 0.14 0.00 0.21 0.00 0.00 66.02 64.68 1xf5 s SER 22 CO 0.01 0.07 0.58 0.00 0.41 0.00 0.00 173.24 174.31 1xf5 s LYS 24 N 2.82 1.87 0.57 0.00 -2.85 0.00 -0.85 119.74 121.29 1xf5 s LYS 24 Ca 0.04 -0.47 -0.08 0.00 -1.00 0.00 0.00 55.97 54.47 1xf5 s LYS 24 Cb -0.13 -1.54 -0.03 0.00 -2.06 0.00 0.00 37.83 34.07 1xf5 s LYS 24 CO -0.18 0.03 0.92 -1.54 0.10 0.00 0.00 175.35 174.67 1xf5 s SER 25 N 0.69 6.06 -0.02 0.03 1.04 0.14 -1.46 113.70 120.19 1xf5 s SER 25 Ca -0.14 1.08 0.15 0.00 0.48 0.00 0.00 55.95 57.52 1xf5 s SER 25 Cb -0.16 -2.21 0.46 0.00 0.10 0.00 0.00 66.02 64.21 1xf5 s SER 25 CO 0.04 -0.83 1.37 -1.54 0.98 0.00 0.00 173.24 173.26 1xf5 n SER 26 N -2.55 2.86 -3.64 7.02 3.41 -0.21 -4.81 113.62 115.70 1xf5 n SER 26 Ca 0.04 -2.07 -0.05 0.00 -0.26 0.00 0.00 58.87 56.54 1xf5 n SER 26 Cb 0.55 -0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 64.07 1xf5 n SER 26 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1xf5 s GLN 27 N -1.42 0.54 0.41 4.33 0.74 -1.26 -4.90 119.66 118.11 1xf5 s GLN 27 Ca 0.34 0.95 -0.16 0.00 0.05 0.00 0.00 55.36 56.54 1xf5 s GLN 27 Cb 0.19 0.12 -0.13 0.00 1.10 0.00 0.00 33.01 34.29 1xf5 s GLN 27 CO 0.22 -0.12 -0.05 0.45 -0.55 0.00 0.00 175.29 175.24 1xf5 n SER 28 N 4.05 -2.99 -0.93 6.67 2.88 -1.26 -4.82 113.62 117.21 1xf5 n SER 28 Ca -0.19 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1xf5 n SER 28 Cb 0.58 -0.75 0.20 0.00 -0.75 0.00 0.00 64.21 63.50 1xf5 n SER 28 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1xf5 n LEU 29 N 2.14 3.68 -0.32 2.46 4.32 -1.14 -4.86 117.00 123.28 1xf5 n LEU 29 Ca 0.08 -3.66 0.29 0.00 -0.02 0.00 0.00 56.01 52.69 1xf5 n LEU 29 Cb 0.39 -0.59 0.53 0.00 -1.62 0.00 0.00 43.42 42.14 1xf5 n LEU 29 CO 0.47 1.18 1.02 0.17 -1.22 0.00 0.00 177.39 179.01 1xf5 h LEU 30 N 1.02 0.20 0.00 2.23 8.10 -1.82 -3.25 115.31 121.79 1xf5 h LEU 30 Ca 0.13 0.26 0.00 0.00 0.11 0.00 0.00 57.88 58.38 1xf5 h LEU 30 Cb 1.45 0.30 0.00 0.00 -0.44 0.00 0.00 40.66 41.97 1xf5 h LEU 30 CO 0.26 -0.41 0.00 -3.20 -4.11 0.00 0.00 178.44 170.99 1xf5 n ASN 31 N -5.29 0.00 -0.31 0.17 2.85 -1.26 -4.65 115.26 106.77 1xf5 n ASN 31 Ca 0.35 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.94 1xf5 n ASN 31 Cb 1.18 0.00 0.26 0.00 1.24 0.00 0.00 39.78 42.47 1xf5 n ASN 31 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1xf5 h SER 32 N 0.00 -0.35 0.63 1.20 4.64 -1.91 0.92 113.55 118.68 1xf5 h SER 32 Ca 0.00 0.25 -0.23 0.00 -0.47 0.00 0.00 61.79 61.33 1xf5 h SER 32 Cb 0.00 0.41 -0.04 0.00 -0.31 0.00 0.00 62.40 62.46 1xf5 h SER 32 CO 0.00 -0.28 -1.52 -0.09 -0.87 0.00 0.00 176.83 174.07 1xf5 h ARG 33 N 0.07 0.00 -0.28 4.77 2.43 -1.98 -3.27 114.38 116.11 1xf5 h ARG 33 Ca 0.55 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.63 1xf5 h ARG 33 Cb 1.11 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1xf5 h ARG 33 CO -0.81 0.44 -0.23 1.79 -1.51 0.00 0.00 179.97 179.65 1xf5 h THR 34 N 0.00 1.26 0.00 0.20 1.35 -1.71 -3.46 112.91 110.55 1xf5 h THR 34 Ca -0.21 -1.25 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 1xf5 h THR 34 Cb 1.82 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 1xf5 h THR 34 CO 0.07 0.40 0.00 0.54 -0.25 0.00 0.00 175.52 176.28 1xf5 n ARG 35 N -4.13 0.00 -2.94 4.72 1.74 0.31 -5.05 116.66 111.32 1xf5 n ARG 35 Ca -0.00 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 1xf5 n ARG 35 Cb 0.40 -1.38 0.01 0.00 -1.02 0.00 0.00 32.46 30.46 1xf5 n ARG 35 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1xf5 s LYS 36 N -0.25 3.19 -0.22 5.56 2.20 -1.25 -4.92 119.74 124.05 1xf5 s LYS 36 Ca 0.00 -0.31 -0.06 0.00 -0.36 0.00 0.00 55.97 55.24 1xf5 s LYS 36 Cb 0.00 -2.52 -0.02 0.00 -1.51 0.00 0.00 37.83 33.78 1xf5 s LYS 36 CO 0.00 -0.24 0.01 -0.80 -0.36 0.00 0.00 175.35 173.97 1xf5 s ASN 37 N -4.18 4.82 -1.24 1.43 -0.87 -1.26 -4.15 114.94 109.49 1xf5 s ASN 37 Ca 0.47 -0.24 -0.09 0.00 -1.57 0.00 0.00 52.86 51.43 1xf5 s ASN 37 Cb -0.10 -1.84 0.19 0.00 -0.02 0.00 0.00 41.25 39.48 1xf5 s ASN 37 CO 0.39 0.02 1.75 -1.22 -2.57 0.00 0.00 177.10 175.47 1xf5 n TYR 38 N 4.57 3.19 -4.94 2.20 4.01 -1.22 -3.54 117.16 121.43 1xf5 n TYR 38 Ca -0.17 -2.87 -0.27 0.00 -0.16 0.00 0.00 57.90 54.43 1xf5 n TYR 38 Cb 0.51 -1.89 -0.16 0.00 -0.31 0.00 0.00 39.34 37.50 1xf5 n TYR 38 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1xf5 s LEU 39 N -0.27 1.98 0.04 7.72 1.98 -1.26 -0.64 118.68 128.23 1xf5 s LEU 39 Ca 0.39 -0.38 0.03 0.00 -2.89 0.00 0.00 54.13 51.28 1xf5 s LEU 39 Cb 0.07 -1.05 -0.02 0.00 0.66 0.00 0.00 46.19 45.84 1xf5 s LEU 39 CO 0.02 0.20 -0.10 0.00 -1.89 0.00 0.00 176.35 174.57 1xf5 s ALA 40 N -0.15 0.76 -0.09 5.97 0.00 -0.42 -0.91 121.76 126.92 1xf5 s ALA 40 Ca -0.00 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.20 1xf5 s ALA 40 Cb -0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1xf5 s ALA 40 CO 0.02 0.06 -0.14 -1.58 0.00 0.00 0.00 175.76 174.11 1xf5 s TRP 41 N -1.19 2.74 0.08 0.00 0.52 -0.22 -0.62 118.94 120.26 1xf5 s TRP 41 Ca -0.06 -0.42 0.08 0.00 0.02 0.00 0.00 56.10 55.73 1xf5 s TRP 41 Cb -0.09 -1.73 -0.03 0.00 -1.15 0.00 0.00 33.47 30.47 1xf5 s TRP 41 CO 0.01 -0.02 -0.22 0.71 0.02 0.00 0.00 176.95 177.44 1xf5 s TYR 42 N -0.18 1.92 -0.12 -1.98 1.51 0.31 -0.82 117.35 117.99 1xf5 s TYR 42 Ca -0.00 -0.40 -0.00 0.00 -1.01 0.00 0.00 57.07 55.66 1xf5 s TYR 42 Cb -0.13 -1.09 -0.02 0.00 -0.11 0.00 0.00 41.96 40.61 1xf5 s TYR 42 CO 0.03 0.18 -0.11 -1.14 -1.11 0.00 0.00 175.55 173.40 1xf5 s GLN 43 N -1.63 3.26 -0.27 -0.62 0.74 -0.83 -1.49 119.66 118.82 1xf5 s GLN 43 Ca 0.08 -0.64 -0.01 0.00 0.05 0.00 0.00 55.36 54.84 1xf5 s GLN 43 Cb -0.10 -2.65 0.08 0.00 1.10 0.00 0.00 33.01 31.45 1xf5 s GLN 43 CO 0.03 0.32 0.06 -1.14 -0.55 0.00 0.00 175.29 174.01 1xf5 s GLN 44 N 0.10 0.79 0.55 1.67 0.74 -0.15 -2.43 119.66 120.93 1xf5 s GLN 44 Ca -0.05 -0.86 -0.14 0.00 0.05 0.00 0.00 55.36 54.37 1xf5 s GLN 44 Cb -0.14 -2.09 -0.06 0.00 1.10 0.00 0.00 33.01 31.82 1xf5 s GLN 44 CO 0.04 -0.84 0.99 0.15 -0.55 0.00 0.00 175.29 175.08 1xf5 s LYS 45 N 1.67 3.80 0.00 1.67 1.02 -1.26 -2.23 119.74 124.41 1xf5 s LYS 45 Ca 0.05 0.83 0.00 0.00 0.02 0.00 0.00 55.97 56.87 1xf5 s LYS 45 Cb -0.17 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 1xf5 s LYS 45 CO -0.18 -0.37 0.00 -2.30 -0.92 0.00 0.00 175.35 171.58 1xf5 n PRO 46 N -2.02 0.00 -0.47 -1.68 -0.02 -1.26 -2.44 135.00 127.10 1xf5 n PRO 46 Ca 0.06 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.50 1xf5 n PRO 46 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.96 1xf5 n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xf5 n GLY 47 N 0.00 2.00 3.53 -1.23 0.00 -1.26 -4.80 105.19 103.43 1xf5 n GLY 47 Ca 0.00 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 1xf5 n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xf5 s GLN 48 N 1.31 1.86 0.11 1.61 -0.21 -1.02 -5.15 119.66 118.17 1xf5 s GLN 48 Ca 0.22 -2.11 -0.01 0.00 0.02 0.00 0.00 55.36 53.49 1xf5 s GLN 48 Cb 0.11 -0.90 -0.04 0.00 1.00 0.00 0.00 33.01 33.17 1xf5 s GLN 48 CO 0.00 -0.33 0.29 -1.54 -2.12 0.00 0.00 175.29 171.59 1xf5 s SER 49 N -3.61 6.39 1.08 5.90 1.04 -1.26 -4.79 113.70 118.46 1xf5 s SER 49 Ca 0.27 0.35 -0.20 0.00 0.48 0.00 0.00 55.95 56.85 1xf5 s SER 49 Cb 0.05 -1.99 0.06 0.00 0.10 0.00 0.00 66.02 64.24 1xf5 s SER 49 CO 0.13 0.09 -0.27 -2.65 0.98 0.00 0.00 173.24 171.52 1xf5 n PRO 50 N -0.01 -1.40 -3.28 4.02 -0.02 -1.26 -4.79 135.00 128.26 1xf5 n PRO 50 Ca -0.05 -0.40 0.03 0.00 -2.02 0.00 0.00 63.50 61.07 1xf5 n PRO 50 Cb 0.52 -1.53 -0.03 0.00 -0.02 0.00 0.00 33.50 32.45 1xf5 n PRO 50 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1xf5 s LYS 51 N -3.16 0.34 0.35 -0.52 2.20 -1.02 -4.96 119.74 112.98 1xf5 s LYS 51 Ca 0.49 0.72 -0.26 0.00 -0.36 0.00 0.00 55.97 56.55 1xf5 s LYS 51 Cb -0.06 0.41 -0.12 0.00 -1.51 0.00 0.00 37.83 36.55 1xf5 s LYS 51 CO 0.62 -0.26 1.06 1.33 -0.36 0.00 0.00 175.35 177.73 1xf5 n VAL 52 N 5.29 2.17 -0.06 4.02 0.24 -1.26 -1.97 118.33 126.75 1xf5 n VAL 52 Ca -0.07 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.34 61.61 1xf5 n VAL 52 Cb 0.52 -1.17 -0.05 0.00 -1.47 0.00 0.00 33.84 31.67 1xf5 n VAL 52 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1xf5 n LEU 53 N 0.85 1.72 -3.77 1.34 4.77 0.00 -4.86 117.00 117.06 1xf5 n LEU 53 Ca 0.08 0.07 -0.10 0.00 -0.03 0.00 0.00 56.01 56.03 1xf5 n LEU 53 Cb 0.36 -0.40 -0.07 0.00 -2.33 0.00 0.00 43.42 40.98 1xf5 n LEU 53 CO 0.59 0.44 0.01 0.27 -1.33 0.00 0.00 177.39 177.37 1xf5 s ILE 54 N -2.24 0.10 0.29 -0.08 -5.25 -1.18 -2.14 121.20 110.70 1xf5 s ILE 54 Ca -0.17 -0.86 0.03 0.00 -0.99 0.00 0.00 60.65 58.65 1xf5 s ILE 54 Cb 0.06 -1.16 -0.03 0.00 2.95 0.00 0.00 42.46 44.28 1xf5 s ILE 54 CO 0.25 -0.47 0.27 -0.72 -1.79 0.00 0.00 174.94 172.47 1xf5 s TYR 55 N -3.41 1.43 -0.90 1.37 1.13 -0.23 -1.06 117.35 115.68 1xf5 s TYR 55 Ca 0.01 -1.49 0.00 0.00 -1.41 0.00 0.00 57.07 54.18 1xf5 s TYR 55 Cb 0.02 -0.55 0.00 0.00 -1.10 0.00 0.00 41.96 40.33 1xf5 s TYR 55 CO -0.09 -0.84 0.00 0.91 -2.51 0.00 0.00 175.55 173.02 1xf5 n TRP 56 N -0.49 -0.10 0.00 -3.49 8.01 -0.96 -1.75 117.44 118.64 1xf5 n TRP 56 Ca 0.05 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.24 1xf5 n TRP 56 Cb 0.63 -2.35 0.00 0.00 -2.01 0.00 0.00 31.31 27.58 1xf5 n TRP 56 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1xf5 n ALA 57 N 0.85 0.00 -0.01 6.99 0.00 -0.09 -4.35 120.51 123.90 1xf5 n ALA 57 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.33 1xf5 n ALA 57 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 1xf5 n ALA 57 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xf5 n SER 58 N 1.06 0.95 -4.62 0.00 7.64 -0.87 -3.07 113.62 114.71 1xf5 n SER 58 Ca 0.00 0.02 -0.51 0.00 1.01 0.00 0.00 58.87 59.39 1xf5 n SER 58 Cb 0.00 -0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.09 1xf5 n SER 58 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1xf5 n THR 59 N -2.98 0.03 -3.22 0.44 -1.04 -0.72 -4.31 114.28 102.47 1xf5 n THR 59 Ca -0.04 -0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.52 1xf5 n THR 59 Cb 0.53 -1.02 -0.06 0.00 -1.82 0.00 0.00 70.33 67.96 1xf5 n THR 59 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1xf5 s ARG 60 N 0.80 3.06 -0.08 -2.82 3.52 -1.26 -1.06 118.95 121.10 1xf5 s ARG 60 Ca 0.84 -1.16 -0.41 0.00 -0.13 0.00 0.00 55.73 54.87 1xf5 s ARG 60 Cb -0.89 -4.16 -0.20 0.00 -1.56 0.00 0.00 34.95 28.14 1xf5 s ARG 60 CO 0.46 -1.24 1.18 -1.91 -0.81 0.00 0.00 175.30 172.97 1xf5 n GLU 61 N 5.88 0.06 -1.41 5.12 4.07 -0.91 -4.75 120.64 128.69 1xf5 n GLU 61 Ca -0.09 0.02 -0.42 0.00 -0.06 0.00 0.00 57.16 56.61 1xf5 n GLU 61 Cb 0.44 -1.53 0.00 0.00 -0.06 0.00 0.00 31.44 30.29 1xf5 n GLU 61 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1xf5 n SER 62 N 2.00 -1.44 0.00 4.31 2.88 -1.26 -2.31 113.62 117.80 1xf5 n SER 62 Ca 0.22 0.89 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 1xf5 n SER 62 Cb 0.06 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 1xf5 n SER 62 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xf5 n GLY 63 N 1.95 2.96 3.72 0.46 0.00 -1.26 -5.04 105.19 107.97 1xf5 n GLY 63 Ca 0.12 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1xf5 n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xf5 s VAL 64 N -2.30 3.91 0.86 1.61 1.01 -0.98 -5.00 120.40 119.51 1xf5 s VAL 64 Ca 0.00 1.41 -0.14 0.00 0.00 0.00 0.00 61.98 63.26 1xf5 s VAL 64 Cb 0.00 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.49 1xf5 s VAL 64 CO 0.00 0.13 0.54 -2.65 0.00 0.00 0.00 175.10 173.12 1xf5 n PRO 65 N 3.63 -0.06 0.00 2.72 -0.02 -1.26 -4.87 135.00 135.14 1xf5 n PRO 65 Ca 0.08 0.03 0.14 0.00 -2.02 0.00 0.00 63.50 61.74 1xf5 n PRO 65 Cb 0.46 -1.92 0.65 0.00 -0.02 0.00 0.00 33.50 32.67 1xf5 n PRO 65 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1xf5 n ASP 66 N -1.25 0.05 0.31 2.55 5.75 -1.26 -3.32 116.55 119.38 1xf5 n ASP 66 Ca 0.09 0.20 0.20 0.00 -0.01 0.00 0.00 54.79 55.27 1xf5 n ASP 66 Cb 0.52 -0.37 1.00 0.00 -1.03 0.00 0.00 41.12 41.24 1xf5 n ASP 66 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 1xf5 h ARG 67 N 0.03 0.00 -6.03 0.11 0.11 -1.94 -3.40 114.38 103.26 1xf5 h ARG 67 Ca 0.00 0.00 -0.56 0.00 0.10 0.00 0.00 59.98 59.52 1xf5 h ARG 67 Cb 0.42 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.45 1xf5 h ARG 67 CO 0.00 0.01 0.07 -0.06 0.10 0.00 0.00 179.97 180.09 1xf5 s PHE 68 N -3.99 3.58 -0.03 4.08 0.08 -1.21 -0.34 117.98 120.16 1xf5 s PHE 68 Ca -0.03 1.23 -0.00 0.00 0.12 0.00 0.00 56.93 58.25 1xf5 s PHE 68 Cb 0.12 -2.78 0.03 0.00 -0.57 0.00 0.00 43.02 39.82 1xf5 s PHE 68 CO 0.47 0.11 0.03 0.99 -0.10 0.00 0.00 175.22 176.72 1xf5 s THR 69 N 0.71 -0.03 0.08 0.64 2.01 0.23 -5.00 115.64 114.27 1xf5 s THR 69 Ca 0.37 0.23 -0.11 0.00 0.31 0.00 0.00 61.69 62.49 1xf5 s THR 69 Cb -0.18 -0.12 -0.06 0.00 0.01 0.00 0.00 72.50 72.15 1xf5 s THR 69 CO 0.18 0.11 0.42 -0.83 -0.69 0.00 0.00 174.62 173.81 1xf5 s GLY 70 N 1.25 2.36 0.22 4.40 0.00 -1.26 -1.64 107.32 112.66 1xf5 s GLY 70 Ca -0.07 -0.34 -0.17 0.00 0.00 0.00 0.00 44.72 44.14 1xf5 s GLY 70 CO -0.03 -0.10 0.55 -1.60 0.00 0.00 0.00 173.10 171.92 1xf5 s ARG 71 N -1.85 1.48 0.00 2.90 3.52 -0.91 -4.59 118.95 119.51 1xf5 s ARG 71 Ca 0.33 -0.95 0.00 0.00 -0.13 0.00 0.00 55.73 54.97 1xf5 s ARG 71 Cb -0.14 0.53 0.00 0.00 -1.56 0.00 0.00 34.95 33.78 1xf5 s ARG 71 CO 0.18 -0.64 0.00 0.41 -0.81 0.00 0.00 175.30 174.44 1xf5 n GLY 72 N -0.37 2.08 3.30 8.12 0.00 -1.26 -1.35 105.19 115.70 1xf5 n GLY 72 Ca -0.07 -1.99 0.03 0.00 0.00 0.00 0.00 46.02 43.98 1xf5 n GLY 72 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xf5 s SER 73 N 0.00 -0.56 0.00 1.61 0.15 -1.06 -4.92 113.70 108.92 1xf5 s SER 73 Ca 0.00 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.26 1xf5 s SER 73 Cb 0.00 1.58 0.00 0.00 -1.71 0.00 0.00 66.02 65.89 1xf5 s SER 73 CO 0.00 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1xf5 n GLY 74 N 5.11 0.62 0.08 9.45 0.00 -1.26 -4.60 105.19 114.59 1xf5 n GLY 74 Ca -0.08 -1.16 0.10 0.00 0.00 0.00 0.00 46.02 44.88 1xf5 n GLY 74 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1xf5 n THR 75 N 0.00 0.51 -5.20 2.61 5.66 -1.26 -2.88 114.28 113.72 1xf5 n THR 75 Ca 0.00 -0.56 -0.32 0.00 -3.05 0.00 0.00 64.05 60.13 1xf5 n THR 75 Cb 0.00 -0.28 -0.17 0.00 -1.55 0.00 0.00 70.33 68.33 1xf5 n THR 75 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1xf5 s ASP 76 N -5.15 3.03 0.19 1.09 -0.00 -1.26 -0.68 116.67 113.88 1xf5 s ASP 76 Ca -0.03 -0.54 0.03 0.00 -0.00 0.00 0.00 52.55 52.00 1xf5 s ASP 76 Cb 0.11 -1.28 -0.05 0.00 -0.00 0.00 0.00 42.92 41.70 1xf5 s ASP 76 CO 0.83 0.17 -0.01 -0.36 -0.00 0.00 0.00 175.17 175.80 1xf5 s PHE 77 N 0.26 1.35 -0.02 4.23 0.08 -0.03 -2.56 117.98 121.29 1xf5 s PHE 77 Ca -0.16 -0.95 -0.13 0.00 0.12 0.00 0.00 56.93 55.81 1xf5 s PHE 77 Cb -0.17 -0.76 0.02 0.00 -0.57 0.00 0.00 43.02 41.53 1xf5 s PHE 77 CO 0.08 -0.11 0.27 0.95 -0.10 0.00 0.00 175.22 176.31 1xf5 s THR 78 N -3.53 0.06 -0.18 0.64 -4.23 -0.46 -2.18 115.64 105.77 1xf5 s THR 78 Ca 0.25 -0.48 -0.00 0.00 -1.18 0.00 0.00 61.69 60.27 1xf5 s THR 78 Cb 0.05 -0.56 0.01 0.00 1.34 0.00 0.00 72.50 73.34 1xf5 s THR 78 CO 0.05 -0.27 -0.15 -0.22 -0.54 0.00 0.00 174.62 173.50 1xf5 s LEU 79 N -1.22 2.41 -0.02 4.79 0.20 0.13 -2.14 118.68 122.82 1xf5 s LEU 79 Ca -0.13 -0.53 0.07 0.00 0.69 0.00 0.00 54.13 54.23 1xf5 s LEU 79 Cb -0.05 -1.56 -0.02 0.00 -0.43 0.00 0.00 46.19 44.12 1xf5 s LEU 79 CO 0.03 0.03 -0.24 -0.89 -0.29 0.00 0.00 176.35 175.00 1xf5 s THR 80 N 1.14 2.25 -0.10 3.68 2.01 -0.65 -0.68 115.64 123.29 1xf5 s THR 80 Ca 0.01 -1.04 0.03 0.00 0.31 0.00 0.00 61.69 61.00 1xf5 s THR 80 Cb -0.14 -1.80 0.01 0.00 0.01 0.00 0.00 72.50 70.58 1xf5 s THR 80 CO -0.06 0.58 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.64 1xf5 s ILE 81 N -0.64 1.66 0.00 1.82 1.09 -0.24 -0.60 121.20 124.29 1xf5 s ILE 81 Ca 0.10 -0.76 0.00 0.00 -1.10 0.00 0.00 60.65 58.89 1xf5 s ILE 81 Cb -0.10 -1.48 0.00 0.00 -1.06 0.00 0.00 42.46 39.82 1xf5 s ILE 81 CO -0.01 0.47 0.23 -1.20 -0.10 0.00 0.00 174.94 174.34 1xf5 n SER 82 N 3.90 0.00 -4.10 3.58 7.64 0.54 -1.76 113.62 123.42 1xf5 n SER 82 Ca -0.20 0.23 -0.36 0.00 1.01 0.00 0.00 58.87 59.55 1xf5 n SER 82 Cb 0.52 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.64 1xf5 n SER 82 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1xf5 s SER 83 N -1.93 5.56 0.36 6.43 0.01 -1.26 -3.30 113.70 119.57 1xf5 s SER 83 Ca 0.00 -3.26 -0.25 0.00 1.31 0.00 0.00 55.95 53.75 1xf5 s SER 83 Cb 0.00 -1.88 -0.13 0.00 0.21 0.00 0.00 66.02 64.22 1xf5 s SER 83 CO 0.00 -0.28 0.76 0.52 0.41 0.00 0.00 173.24 174.65 1xf5 n VAL 84 N 2.94 1.99 -4.27 3.43 0.31 -1.13 -4.52 118.33 117.08 1xf5 n VAL 84 Ca 0.14 -0.50 -0.15 0.00 -0.01 0.00 0.00 64.34 63.82 1xf5 n VAL 84 Cb 0.38 -0.73 -0.10 0.00 -0.91 0.00 0.00 33.84 32.47 1xf5 n VAL 84 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1xf5 s GLN 85 N -1.60 1.12 0.21 5.55 -0.21 -1.26 -1.44 119.66 122.03 1xf5 s GLN 85 Ca 0.62 -1.50 -0.15 0.00 0.02 0.00 0.00 55.36 54.35 1xf5 s GLN 85 Cb -0.66 -0.64 0.23 0.00 1.00 0.00 0.00 33.01 32.95 1xf5 s GLN 85 CO 0.58 0.05 1.61 0.00 -2.12 0.00 0.00 175.29 175.41 1xf5 h ALA 86 N 2.72 0.32 0.00 6.09 0.00 -1.87 0.43 119.26 126.95 1xf5 h ALA 86 Ca -0.37 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1xf5 h ALA 86 Cb 1.20 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1xf5 h ALA 86 CO 0.64 -0.48 0.36 -0.85 0.00 0.00 0.00 179.25 178.91 1xf5 n GLU 87 N -5.45 0.07 0.00 0.00 0.00 -1.13 -0.29 120.64 113.83 1xf5 n GLU 87 Ca 0.07 0.53 0.14 0.00 0.00 0.00 0.00 57.16 57.91 1xf5 n GLU 87 Cb 0.35 -2.09 0.64 0.00 0.00 0.00 0.00 31.44 30.34 1xf5 n GLU 87 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1xf5 n ASP 88 N -1.95 0.54 -4.67 -1.84 10.43 0.15 -4.85 116.55 114.37 1xf5 n ASP 88 Ca -0.01 -0.74 -0.42 0.00 2.57 0.00 0.00 54.79 56.20 1xf5 n ASP 88 Cb 0.37 -0.05 -0.03 0.00 1.84 0.00 0.00 41.12 43.25 1xf5 n ASP 88 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1xf5 s GLN 89 N -2.36 4.15 0.00 -1.24 -0.21 0.60 -4.85 119.66 115.75 1xf5 s GLN 89 Ca 0.32 2.50 0.00 0.00 0.02 0.00 0.00 55.36 58.20 1xf5 s GLN 89 Cb 0.20 -4.02 0.00 0.00 1.00 0.00 0.00 33.01 30.20 1xf5 s GLN 89 CO 0.45 -0.90 0.00 0.00 -2.12 0.00 0.00 175.29 172.71 1xf5 n ALA 90 N 7.10 0.00 -3.53 6.09 0.00 -1.12 -4.72 120.51 124.32 1xf5 n ALA 90 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.40 1xf5 n ALA 90 Cb 0.41 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.70 1xf5 n ALA 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xf5 s VAL 91 N -2.13 0.94 -0.20 0.00 1.01 -0.95 -0.43 120.40 118.64 1xf5 s VAL 91 Ca 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 1xf5 s VAL 91 Cb 0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 1xf5 s VAL 91 CO 0.00 0.31 -0.02 -0.31 0.00 0.00 0.00 175.10 175.08 1xf5 s TYR 92 N 0.78 3.01 -0.01 5.22 1.51 0.11 -0.98 117.35 126.99 1xf5 s TYR 92 Ca -0.13 -0.56 0.04 0.00 -1.01 0.00 0.00 57.07 55.42 1xf5 s TYR 92 Cb -0.15 -2.07 -0.03 0.00 -0.11 0.00 0.00 41.96 39.60 1xf5 s TYR 92 CO 0.02 -0.29 -0.11 0.71 -1.11 0.00 0.00 175.55 174.77 1xf5 s TYR 93 N 1.02 2.78 -0.10 2.71 1.51 -0.56 -0.89 117.35 123.83 1xf5 s TYR 93 Ca 0.01 -0.11 -0.02 0.00 -1.01 0.00 0.00 57.07 55.95 1xf5 s TYR 93 Cb -0.14 -1.59 -0.03 0.00 -0.11 0.00 0.00 41.96 40.08 1xf5 s TYR 93 CO 0.01 0.30 -0.03 0.00 -1.11 0.00 0.00 175.55 174.72 1xf5 s LYS 95 N -0.55 1.88 -0.19 0.00 2.20 0.21 -0.63 119.74 122.66 1xf5 s LYS 95 Ca 0.09 -0.73 -0.11 0.00 -0.36 0.00 0.00 55.97 54.85 1xf5 s LYS 95 Cb -0.12 -1.71 -0.05 0.00 -1.51 0.00 0.00 37.83 34.44 1xf5 s LYS 95 CO 0.02 0.37 0.18 -1.14 -0.36 0.00 0.00 175.35 174.42 1xf5 s GLN 96 N -0.26 4.19 -0.33 4.03 -0.44 0.24 -1.31 119.66 125.79 1xf5 s GLN 96 Ca 0.02 -0.14 0.12 0.00 -2.50 0.00 0.00 55.36 52.86 1xf5 s GLN 96 Cb -0.10 -3.44 0.46 0.00 -1.64 0.00 0.00 33.01 28.29 1xf5 s GLN 96 CO 0.01 0.25 1.11 0.00 0.50 0.00 0.00 175.29 177.16 1xf5 n ALA 97 N 3.64 4.27 -0.11 1.58 0.00 0.19 -3.11 120.51 126.97 1xf5 n ALA 97 Ca -0.15 -3.61 -0.24 0.00 0.00 0.00 0.00 53.44 49.44 1xf5 n ALA 97 Cb 0.52 -0.60 -0.11 0.00 0.00 0.00 0.00 19.45 19.26 1xf5 n ALA 97 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1xf5 n TYR 98 N -0.52 0.57 -3.80 0.00 9.36 -1.26 -4.80 117.16 116.72 1xf5 n TYR 98 Ca 0.29 0.21 -0.13 0.00 3.32 0.00 0.00 57.90 61.60 1xf5 n TYR 98 Cb 0.83 -1.06 -0.13 0.00 -0.63 0.00 0.00 39.34 38.35 1xf5 n TYR 98 CO 0.00 0.00 0.00 0.96 0.22 0.00 0.00 176.86 178.04 1xf5 s ILE 99 N -2.46 -0.01 0.71 2.97 -5.25 -1.26 -5.09 121.20 110.81 1xf5 s ILE 99 Ca -0.32 0.04 -0.15 0.00 -0.99 0.00 0.00 60.65 59.22 1xf5 s ILE 99 Cb 0.10 -0.25 0.03 0.00 2.95 0.00 0.00 42.46 45.29 1xf5 s ILE 99 CO 0.58 0.02 1.20 -2.84 -1.79 0.00 0.00 174.94 172.10 1xf5 s PRO 100 N 0.36 2.29 0.39 0.37 0.02 -1.26 -4.31 135.00 132.86 1xf5 s PRO 100 Ca -0.02 1.73 -0.21 0.00 0.02 0.00 0.00 61.00 62.52 1xf5 s PRO 100 Cb -0.04 -1.85 -0.10 0.00 0.02 0.00 0.00 34.50 32.53 1xf5 s PRO 100 CO -0.01 -1.72 0.91 -1.25 -0.33 0.00 0.00 177.00 174.60 1xf5 s PRO 101 N -3.87 4.24 0.31 5.54 0.04 -1.26 -4.67 135.00 135.33 1xf5 s PRO 101 Ca 0.74 1.07 -0.30 0.00 0.04 0.00 0.00 61.00 62.55 1xf5 s PRO 101 Cb -0.28 -2.32 -0.11 0.00 0.04 0.00 0.00 34.50 31.82 1xf5 s PRO 101 CO 0.44 0.05 1.59 1.28 0.04 0.00 0.00 177.00 180.40 1xf5 n LEU 102 N -0.40 4.52 -4.08 -3.56 4.32 -1.26 -4.76 117.00 111.78 1xf5 n LEU 102 Ca 0.05 1.16 -0.21 0.00 -0.02 0.00 0.00 56.01 56.99 1xf5 n LEU 102 Cb 0.53 -1.61 -0.15 0.00 -1.62 0.00 0.00 43.42 40.57 1xf5 n LEU 102 CO 0.39 0.20 -0.46 0.42 -1.22 0.00 0.00 177.39 176.72 1xf5 s THR 103 N -0.18 0.99 0.20 -5.08 -4.23 -1.18 -4.99 115.64 101.17 1xf5 s THR 103 Ca 0.62 -0.53 0.05 0.00 -1.18 0.00 0.00 61.69 60.65 1xf5 s THR 103 Cb -0.48 -0.83 -0.04 0.00 1.34 0.00 0.00 72.50 72.49 1xf5 s THR 103 CO 0.51 0.28 0.22 -0.36 -0.54 0.00 0.00 174.62 174.73 1xf5 s PHE 104 N -0.24 3.25 0.72 3.99 0.40 -1.26 -0.59 117.98 124.25 1xf5 s PHE 104 Ca 0.04 -0.02 -0.07 0.00 -0.60 0.00 0.00 56.93 56.27 1xf5 s PHE 104 Cb -0.05 -1.52 0.06 0.00 0.51 0.00 0.00 43.02 42.02 1xf5 s PHE 104 CO -0.00 0.51 1.04 0.20 0.70 0.00 0.00 175.22 177.66 1xf5 s GLY 105 N -3.48 1.67 0.33 4.36 0.00 0.20 -4.66 107.32 105.73 1xf5 s GLY 105 Ca 0.33 -0.87 0.25 0.00 0.00 0.00 0.00 44.72 44.43 1xf5 s GLY 105 CO 0.26 -0.45 1.75 0.00 0.00 0.00 0.00 173.10 174.66 1xf5 h ALA 106 N -0.65 1.00 0.00 3.20 0.00 -1.90 -3.43 119.26 117.47 1xf5 h ALA 106 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xf5 h ALA 106 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1xf5 h ALA 106 CO 0.61 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.27 1xf5 n GLY 107 N -0.49 1.11 3.28 0.00 0.00 -1.26 -5.02 105.19 102.82 1xf5 n GLY 107 Ca 0.01 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 1xf5 n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xf5 s THR 108 N -1.50 3.02 -0.30 2.61 2.01 -0.07 -4.59 115.64 116.83 1xf5 s THR 108 Ca 0.00 -0.63 -0.19 0.00 0.31 0.00 0.00 61.69 61.19 1xf5 s THR 108 Cb 0.00 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.16 1xf5 s THR 108 CO 0.00 0.47 0.55 -0.75 -0.69 0.00 0.00 174.62 174.20 1xf5 s LYS 109 N 1.17 3.90 -0.29 4.92 2.20 -0.11 0.06 119.74 131.58 1xf5 s LYS 109 Ca 0.02 0.19 -0.11 0.00 -0.36 0.00 0.00 55.97 55.70 1xf5 s LYS 109 Cb -0.14 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.42 1xf5 s LYS 109 CO -0.03 -0.49 0.19 -1.17 -0.36 0.00 0.00 175.35 173.48 1xf5 s LEU 110 N 2.43 4.07 0.33 5.43 2.96 0.43 -0.23 118.68 134.10 1xf5 s LEU 110 Ca 0.22 -0.14 0.09 0.00 -0.22 0.00 0.00 54.13 54.07 1xf5 s LEU 110 Cb -0.15 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 1xf5 s LEU 110 CO 0.11 -0.09 0.06 -1.61 -1.32 0.00 0.00 176.35 173.49 1xf5 s GLU 111 N 1.73 2.21 0.08 1.98 2.02 0.15 -2.80 118.70 124.07 1xf5 s GLU 111 Ca 0.07 -1.63 0.08 0.00 0.02 0.00 0.00 54.97 53.51 1xf5 s GLU 111 Cb -0.16 -2.05 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 1xf5 s GLU 111 CO 0.10 0.16 -0.20 -0.51 0.02 0.00 0.00 175.26 174.83 1xf5 s LEU 112 N -3.76 2.57 0.16 1.80 2.01 -1.26 -2.32 118.68 117.88 1xf5 s LEU 112 Ca 0.35 -0.52 0.05 0.00 0.01 0.00 0.00 54.13 54.03 1xf5 s LEU 112 Cb -0.02 -1.48 -0.04 0.00 0.01 0.00 0.00 46.19 44.67 1xf5 s LEU 112 CO 0.21 0.22 0.13 -0.54 1.01 0.00 0.00 176.35 177.38 1xf5 s LYS 113 N -1.72 2.89 0.11 1.70 1.02 0.13 -4.84 119.74 119.02 1xf5 s LYS 113 Ca 0.15 -0.87 -0.05 0.00 0.02 0.00 0.00 55.97 55.22 1xf5 s LYS 113 Cb -0.10 -2.64 0.02 0.00 -0.52 0.00 0.00 37.83 34.58 1xf5 s LYS 113 CO 0.07 0.49 0.26 2.89 -0.92 0.00 0.00 175.35 178.14 1xf5 n ARG 114 N -0.33 0.32 -2.58 1.68 1.85 -1.26 -4.20 116.66 112.14 1xf5 n ARG 114 Ca -0.08 -0.64 -0.37 0.00 -1.00 0.00 0.00 57.85 55.76 1xf5 n ARG 114 Cb 0.55 0.80 -0.05 0.00 -1.05 0.00 0.00 32.46 32.72 1xf5 n ARG 114 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1xf5 s ALA 115 N -1.33 3.17 1.09 2.89 0.00 -1.26 -4.97 121.76 121.36 1xf5 s ALA 115 Ca 0.05 0.70 -0.12 0.00 0.00 0.00 0.00 51.96 52.59 1xf5 s ALA 115 Cb -0.01 -3.26 0.24 0.00 0.00 0.00 0.00 23.12 20.08 1xf5 s ALA 115 CO 0.03 -0.12 1.01 -0.25 0.00 0.00 0.00 175.76 176.43 1xf5 n ASP 116 N 0.29 -1.13 -3.60 0.00 10.43 -1.26 -4.80 116.55 116.48 1xf5 n ASP 116 Ca 0.03 0.03 -0.03 0.00 2.57 0.00 0.00 54.79 57.39 1xf5 n ASP 116 Cb 0.49 -1.32 -0.06 0.00 1.84 0.00 0.00 41.12 42.07 1xf5 n ASP 116 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1xf5 s ALA 117 N -2.47 -2.24 0.54 2.24 0.00 -0.83 -4.89 121.76 114.11 1xf5 s ALA 117 Ca 0.68 2.24 -0.20 0.00 0.00 0.00 0.00 51.96 54.68 1xf5 s ALA 117 Cb -0.24 -1.71 -0.05 0.00 0.00 0.00 0.00 23.12 21.11 1xf5 s ALA 117 CO 0.63 -0.51 1.18 0.00 0.00 0.00 0.00 175.76 177.06 1xf5 s ALA 118 N 1.73 2.71 0.33 0.00 0.00 -1.26 -2.49 121.76 122.78 1xf5 s ALA 118 Ca -0.08 0.94 -0.23 0.00 0.00 0.00 0.00 51.96 52.60 1xf5 s ALA 118 Cb -0.05 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.56 1xf5 s ALA 118 CO -0.17 -0.92 0.90 -1.25 0.00 0.00 0.00 175.76 174.32 1xf5 s PRO 119 N -3.16 4.40 -0.10 0.00 0.04 -1.26 -4.57 135.00 130.35 1xf5 s PRO 119 Ca 0.73 1.16 -0.18 0.00 0.04 0.00 0.00 61.00 62.74 1xf5 s PRO 119 Cb -0.28 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.58 1xf5 s PRO 119 CO 0.32 0.22 0.49 0.99 0.04 0.00 0.00 177.00 179.05 1xf5 s THR 120 N -1.76 5.16 -0.08 1.26 2.01 -0.33 -4.85 115.64 117.05 1xf5 s THR 120 Ca 0.52 0.98 0.04 0.00 0.31 0.00 0.00 61.69 63.54 1xf5 s THR 120 Cb -0.15 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 1xf5 s THR 120 CO 0.20 0.34 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.60 1xf5 s VAL 121 N 0.51 2.64 -0.03 3.82 1.01 -1.26 -0.61 120.40 126.48 1xf5 s VAL 121 Ca 0.27 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1xf5 s VAL 121 Cb -0.15 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.21 1xf5 s VAL 121 CO 0.11 0.56 -0.05 -0.44 0.00 0.00 0.00 175.10 175.29 1xf5 s SER 122 N -0.17 0.78 0.00 3.32 0.01 -0.43 -4.97 113.70 112.24 1xf5 s SER 122 Ca -0.02 -0.11 0.04 0.00 1.31 0.00 0.00 55.95 57.18 1xf5 s SER 122 Cb -0.14 -0.28 -0.03 0.00 0.21 0.00 0.00 66.02 65.79 1xf5 s SER 122 CO 0.03 -0.01 -0.12 -0.51 0.41 0.00 0.00 173.24 173.05 1xf5 s ILE 123 N 0.50 3.26 -0.10 1.44 2.07 -1.26 -1.03 121.20 126.08 1xf5 s ILE 123 Ca -0.06 -0.88 0.01 0.00 -1.41 0.00 0.00 60.65 58.31 1xf5 s ILE 123 Cb -0.10 -2.37 0.02 0.00 0.13 0.00 0.00 42.46 40.14 1xf5 s ILE 123 CO -0.00 0.43 -0.10 -0.36 -1.91 0.00 0.00 174.94 173.00 1xf5 s PHE 124 N -0.91 1.52 0.76 3.50 0.40 0.19 -5.00 117.98 118.44 1xf5 s PHE 124 Ca 0.15 -0.70 -0.11 0.00 -0.60 0.00 0.00 56.93 55.66 1xf5 s PHE 124 Cb -0.11 -1.20 0.05 0.00 0.51 0.00 0.00 43.02 42.27 1xf5 s PHE 124 CO 0.05 -0.44 1.08 -1.25 0.70 0.00 0.00 175.22 175.36 1xf5 s PRO 125 N 1.32 2.40 0.37 0.24 0.04 -1.26 -1.43 135.00 136.69 1xf5 s PRO 125 Ca -0.02 0.78 -0.27 0.00 0.04 0.00 0.00 61.00 61.53 1xf5 s PRO 125 Cb -0.14 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.35 1xf5 s PRO 125 CO -0.04 -1.43 1.33 -2.30 0.04 0.00 0.00 177.00 174.59 1xf5 n PRO 126 N -3.33 2.18 -1.56 0.56 -0.02 -1.10 -4.81 135.00 126.92 1xf5 n PRO 126 Ca 0.07 0.77 -0.29 0.00 -2.02 0.00 0.00 63.50 62.03 1xf5 n PRO 126 Cb 0.55 -2.42 0.14 0.00 -0.02 0.00 0.00 33.50 31.76 1xf5 n PRO 126 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1xf5 s SER 127 N -0.34 3.38 -0.02 2.55 1.04 -1.26 -4.92 113.70 114.12 1xf5 s SER 127 Ca 0.57 0.88 -0.26 0.00 0.48 0.00 0.00 55.95 57.62 1xf5 s SER 127 Cb -0.53 -1.38 -0.20 0.00 0.10 0.00 0.00 66.02 64.01 1xf5 s SER 127 CO 0.61 -2.62 1.24 0.28 0.98 0.00 0.00 173.24 173.73 1xf5 h SER 128 N -1.55 -0.04 -0.71 7.02 0.02 -1.98 -2.67 113.55 113.64 1xf5 h SER 128 Ca -0.49 -0.45 0.16 0.00 -0.84 0.00 0.00 61.79 60.16 1xf5 h SER 128 Cb 1.32 0.01 -0.12 0.00 0.14 0.00 0.00 62.40 63.75 1xf5 h SER 128 CO 0.59 0.44 0.05 -0.33 -1.14 0.00 0.00 176.83 176.44 1xf5 h GLU 129 N -0.53 0.14 -0.50 3.45 5.08 -1.99 0.10 114.58 120.34 1xf5 h GLU 129 Ca -0.00 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1xf5 h GLU 129 Cb 0.49 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1xf5 h GLU 129 CO 0.01 0.10 0.05 0.37 -1.00 0.00 0.00 179.01 178.53 1xf5 h GLN 130 N 0.15 0.86 0.00 2.33 4.15 -1.87 -2.28 115.11 118.44 1xf5 h GLN 130 Ca 0.39 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1xf5 h GLN 130 Cb 0.67 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.27 1xf5 h GLN 130 CO -0.58 0.86 0.00 1.28 -1.93 0.00 0.00 178.83 178.46 1xf5 n LEU 131 N -4.37 0.57 -0.16 -2.39 4.77 0.21 -0.23 117.00 115.39 1xf5 n LEU 131 Ca 0.01 0.70 0.15 0.00 -0.03 0.00 0.00 56.01 56.84 1xf5 n LEU 131 Cb 0.28 -0.70 0.67 0.00 -2.33 0.00 0.00 43.42 41.35 1xf5 n LEU 131 CO 0.41 -0.74 0.93 0.41 -1.33 0.00 0.00 177.39 177.07 1xf5 n THR 132 N -2.19 0.00 -0.61 -5.08 -1.04 -0.32 -3.31 114.28 101.73 1xf5 n THR 132 Ca 0.00 -0.08 0.06 0.00 -2.04 0.00 0.00 64.05 61.99 1xf5 n THR 132 Cb 0.12 -0.08 0.11 0.00 -1.82 0.00 0.00 70.33 68.67 1xf5 n THR 132 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1xf5 n SER 133 N -0.74 2.48 -0.51 8.00 7.64 0.67 -4.96 113.62 126.21 1xf5 n SER 133 Ca 0.18 -2.60 -0.07 0.00 1.01 0.00 0.00 58.87 57.39 1xf5 n SER 133 Cb 0.25 -0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 63.15 1xf5 n SER 133 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xf5 n GLY 134 N -0.81 0.82 3.64 0.23 0.00 -1.21 -4.99 105.19 102.87 1xf5 n GLY 134 Ca 0.11 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 1xf5 n GLY 134 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xf5 s GLY 135 N -2.49 1.66 -0.28 -0.02 0.00 -1.14 -1.75 107.32 103.29 1xf5 s GLY 135 Ca 0.00 -1.63 -0.07 0.00 0.00 0.00 0.00 44.72 43.03 1xf5 s GLY 135 CO 0.00 -1.69 0.59 0.00 0.00 0.00 0.00 173.10 172.00 1xf5 s ALA 136 N -2.26 -1.92 -0.03 3.20 0.00 -1.18 -3.30 121.76 116.28 1xf5 s ALA 136 Ca 0.31 2.01 0.05 0.00 0.00 0.00 0.00 51.96 54.33 1xf5 s ALA 136 Cb -0.07 -1.81 -0.01 0.00 0.00 0.00 0.00 23.12 21.23 1xf5 s ALA 136 CO 0.20 -1.03 -0.18 -1.12 0.00 0.00 0.00 175.76 173.62 1xf5 s SER 137 N 2.83 2.22 -0.23 0.00 0.01 -1.26 -0.65 113.70 116.62 1xf5 s SER 137 Ca 0.03 -0.35 -0.06 0.00 1.31 0.00 0.00 55.95 56.87 1xf5 s SER 137 Cb -0.13 -0.42 -0.02 0.00 0.21 0.00 0.00 66.02 65.65 1xf5 s SER 137 CO -0.18 0.20 0.03 -0.69 0.41 0.00 0.00 173.24 173.01 1xf5 s VAL 138 N -0.22 4.06 0.03 3.43 1.01 0.32 -2.73 120.40 126.30 1xf5 s VAL 138 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1xf5 s VAL 138 Cb -0.09 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1xf5 s VAL 138 CO 0.01 0.38 0.11 -0.69 0.00 0.00 0.00 175.10 174.91 1xf5 s VAL 139 N 1.43 4.88 -0.11 2.92 1.01 -0.51 -0.52 120.40 129.49 1xf5 s VAL 139 Ca 0.05 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 1xf5 s VAL 139 Cb -0.15 -3.29 0.05 0.00 0.00 0.00 0.00 36.38 32.98 1xf5 s VAL 139 CO 0.02 0.25 0.07 0.00 0.00 0.00 0.00 175.10 175.43 1xf5 s PHE 141 N 2.11 3.50 -0.44 0.00 0.08 -0.20 -0.98 117.98 122.06 1xf5 s PHE 141 Ca 0.03 0.49 0.03 0.00 0.12 0.00 0.00 56.93 57.60 1xf5 s PHE 141 Cb -0.14 -2.15 0.12 0.00 -0.57 0.00 0.00 43.02 40.28 1xf5 s PHE 141 CO -0.06 0.43 0.19 -0.51 -0.10 0.00 0.00 175.22 175.16 1xf5 s LEU 142 N -0.09 3.81 0.08 -0.37 1.43 -0.62 -1.32 118.68 121.60 1xf5 s LEU 142 Ca 0.13 -2.59 -0.01 0.00 -1.03 0.00 0.00 54.13 50.62 1xf5 s LEU 142 Cb -0.12 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 1xf5 s LEU 142 CO 0.02 -0.29 0.26 0.20 0.23 0.00 0.00 176.35 176.76 1xf5 s ASN 143 N 0.32 6.40 -0.75 2.29 0.01 0.22 -1.26 114.94 122.18 1xf5 s ASN 143 Ca 0.15 0.36 -0.03 0.00 -0.71 0.00 0.00 52.86 52.63 1xf5 s ASN 143 Cb -0.23 -2.00 0.00 0.00 0.41 0.00 0.00 41.25 39.43 1xf5 s ASN 143 CO -0.04 0.14 0.64 0.59 -1.51 0.00 0.00 177.10 176.92 1xf5 n ASN 144 N 0.26 -6.13 -4.41 -1.22 4.13 -1.05 -1.19 115.26 105.65 1xf5 n ASN 144 Ca -0.04 -0.52 -0.21 0.00 1.68 0.00 0.00 54.58 55.49 1xf5 n ASN 144 Cb 0.51 -3.19 -0.10 0.00 -1.54 0.00 0.00 39.78 35.46 1xf5 n ASN 144 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1xf5 s PHE 145 N -2.88 1.90 -0.23 3.10 -0.12 0.01 -4.44 117.98 115.31 1xf5 s PHE 145 Ca 0.04 -1.01 -0.27 0.00 -0.05 0.00 0.00 56.93 55.63 1xf5 s PHE 145 Cb -0.01 -1.23 0.13 0.00 -0.63 0.00 0.00 43.02 41.28 1xf5 s PHE 145 CO 0.84 -0.06 1.03 -0.47 -0.05 0.00 0.00 175.22 176.51 1xf5 s TYR 146 N -3.34 -0.43 1.17 3.49 6.14 -1.04 0.10 117.35 123.44 1xf5 s TYR 146 Ca 0.35 0.93 -0.13 0.00 0.64 0.00 0.00 57.07 58.87 1xf5 s TYR 146 Cb 0.08 0.40 0.29 0.00 0.42 0.00 0.00 41.96 43.15 1xf5 s TYR 146 CO 0.15 -0.27 1.03 -1.25 0.64 0.00 0.00 175.55 175.85 1xf5 s PRO 147 N -0.29 -0.96 0.58 4.97 0.04 -1.26 -1.97 135.00 136.10 1xf5 s PRO 147 Ca 0.01 0.86 0.36 0.00 0.04 0.00 0.00 61.00 62.28 1xf5 s PRO 147 Cb -0.03 -1.55 1.61 0.00 0.04 0.00 0.00 34.50 34.58 1xf5 s PRO 147 CO -0.03 -3.76 2.08 1.57 0.04 0.00 0.00 177.00 176.89 1xf5 h LYS 148 N -2.65 0.00 -6.26 4.56 2.10 -1.97 -3.43 116.57 108.92 1xf5 h LYS 148 Ca -0.62 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 57.48 1xf5 h LYS 148 Cb 1.33 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.65 1xf5 h LYS 148 CO 0.50 0.00 1.12 -0.51 -2.00 0.00 0.00 179.45 178.56 1xf5 s ASP 149 N -5.57 6.50 0.19 7.07 1.11 -1.26 -4.95 116.67 119.75 1xf5 s ASP 149 Ca -0.00 1.98 -0.11 0.00 0.18 0.00 0.00 52.55 54.60 1xf5 s ASP 149 Cb 0.10 -2.53 -0.00 0.00 1.07 0.00 0.00 42.92 41.55 1xf5 s ASP 149 CO 0.51 -1.11 0.36 -0.51 1.18 0.00 0.00 175.17 175.60 1xf5 s ILE 150 N 4.71 0.04 -0.03 0.77 2.07 -1.26 -4.67 121.20 122.83 1xf5 s ILE 150 Ca 0.74 -1.33 -0.01 0.00 -1.41 0.00 0.00 60.65 58.64 1xf5 s ILE 150 Cb -0.30 -1.91 0.03 0.00 0.13 0.00 0.00 42.46 40.41 1xf5 s ILE 150 CO 0.30 -0.19 0.04 0.21 -1.91 0.00 0.00 174.94 173.39 1xf5 s ASN 151 N -2.97 0.61 -0.14 4.50 3.84 -0.40 -4.99 114.94 115.38 1xf5 s ASN 151 Ca 0.18 0.05 -0.04 0.00 0.21 0.00 0.00 52.86 53.26 1xf5 s ASN 151 Cb 0.02 -0.12 -0.03 0.00 -0.55 0.00 0.00 41.25 40.57 1xf5 s ASN 151 CO 0.02 -0.19 0.01 -0.69 -2.79 0.00 0.00 177.10 173.46 1xf5 s VAL 152 N 1.60 4.31 -0.11 -5.21 1.01 -1.26 -0.53 120.40 120.21 1xf5 s VAL 152 Ca -0.02 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1xf5 s VAL 152 Cb -0.13 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.38 1xf5 s VAL 152 CO -0.03 0.52 -0.21 -0.75 0.00 0.00 0.00 175.10 174.63 1xf5 s LYS 153 N -0.07 2.80 -0.12 2.72 2.20 -0.02 -4.94 119.74 122.30 1xf5 s LYS 153 Ca 0.04 -0.79 -0.06 0.00 -0.36 0.00 0.00 55.97 54.81 1xf5 s LYS 153 Cb -0.13 -2.21 -0.04 0.00 -1.51 0.00 0.00 37.83 33.95 1xf5 s LYS 153 CO 0.02 0.07 0.08 -1.58 -0.36 0.00 0.00 175.35 173.58 1xf5 s TRP 154 N 0.61 3.40 -0.09 4.03 0.52 -1.26 -0.00 118.94 126.15 1xf5 s TRP 154 Ca -0.13 0.34 -0.01 0.00 0.02 0.00 0.00 56.10 56.32 1xf5 s TRP 154 Cb -0.17 -1.92 0.03 0.00 -1.15 0.00 0.00 33.47 30.26 1xf5 s TRP 154 CO 0.03 0.54 0.00 0.15 0.02 0.00 0.00 176.95 177.70 1xf5 s LYS 155 N -0.70 0.67 -0.15 4.98 1.02 -0.52 -1.54 119.74 123.50 1xf5 s LYS 155 Ca 0.12 0.03 -0.14 0.00 0.02 0.00 0.00 55.97 56.00 1xf5 s LYS 155 Cb -0.12 -1.13 -0.05 0.00 -0.52 0.00 0.00 37.83 36.01 1xf5 s LYS 155 CO 0.03 -0.34 0.30 0.42 -0.92 0.00 0.00 175.35 174.84 1xf5 s ILE 156 N 1.94 5.29 -1.86 2.17 1.01 0.33 -2.28 121.20 127.81 1xf5 s ILE 156 Ca 0.04 0.57 -0.22 0.00 0.00 0.00 0.00 60.65 61.05 1xf5 s ILE 156 Cb -0.13 -3.64 0.22 0.00 0.01 0.00 0.00 42.46 38.92 1xf5 s ILE 156 CO -0.06 0.40 0.55 0.47 0.00 0.00 0.00 174.94 176.30 1xf5 n ASP 157 N 3.47 -1.61 0.00 3.58 8.00 0.18 0.12 116.55 130.30 1xf5 n ASP 157 Ca -0.12 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.13 1xf5 n ASP 157 Cb 0.52 -1.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.02 1xf5 n ASP 157 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xf5 n GLY 158 N -1.18 2.86 3.85 0.44 0.00 -1.26 -4.99 105.19 104.92 1xf5 n GLY 158 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1xf5 n GLY 158 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xf5 s SER 159 N -1.53 6.49 1.07 1.61 0.01 0.32 -4.97 113.70 116.69 1xf5 s SER 159 Ca 0.00 0.58 -0.12 0.00 1.31 0.00 0.00 55.95 57.72 1xf5 s SER 159 Cb 0.00 -2.12 0.21 0.00 0.21 0.00 0.00 66.02 64.32 1xf5 s SER 159 CO 0.00 0.36 0.92 1.21 0.41 0.00 0.00 173.24 176.14 1xf5 n GLU 160 N 2.11 -1.56 -3.52 12.44 2.13 -1.26 0.12 120.64 131.10 1xf5 n GLU 160 Ca -0.18 -0.41 -0.07 0.00 0.66 0.00 0.00 57.16 57.16 1xf5 n GLU 160 Cb 0.54 -2.17 -0.08 0.00 0.27 0.00 0.00 31.44 30.00 1xf5 n GLU 160 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1xf5 s ARG 161 N -4.34 0.36 -0.16 5.31 6.06 -0.59 -4.60 118.95 121.00 1xf5 s ARG 161 Ca 0.66 0.90 -0.14 0.00 -2.50 0.00 0.00 55.73 54.65 1xf5 s ARG 161 Cb -0.23 0.12 -0.10 0.00 0.06 0.00 0.00 34.95 34.79 1xf5 s ARG 161 CO 0.63 -0.40 0.07 1.96 -2.50 0.00 0.00 175.30 175.06 1xf5 h GLN 162 N 8.15 0.00 -6.99 5.12 1.08 -1.97 -3.40 115.11 117.10 1xf5 h GLN 162 Ca -0.18 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 56.56 1xf5 h GLN 162 Cb 1.13 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.55 1xf5 h GLN 162 CO 0.18 0.43 0.36 -0.80 -0.95 0.00 0.00 178.83 178.05 1xf5 s ASN 163 N -6.13 6.95 0.00 1.46 -0.87 -1.26 -4.08 114.94 111.01 1xf5 s ASN 163 Ca -0.18 1.84 0.00 0.00 -1.57 0.00 0.00 52.86 52.95 1xf5 s ASN 163 Cb 0.03 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.69 1xf5 s ASN 163 CO 0.36 -0.35 0.00 0.61 -2.57 0.00 0.00 177.10 175.15 1xf5 n GLY 164 N -0.03 0.65 3.43 0.66 0.00 -1.26 -4.92 105.19 103.72 1xf5 n GLY 164 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1xf5 n GLY 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xf5 s VAL 165 N -2.29 3.61 -0.13 1.61 0.11 -1.25 0.48 120.40 122.53 1xf5 s VAL 165 Ca 0.00 -0.45 0.00 0.00 -2.93 0.00 0.00 61.98 58.60 1xf5 s VAL 165 Cb 0.00 -2.58 -0.01 0.00 -1.53 0.00 0.00 36.38 32.26 1xf5 s VAL 165 CO 0.00 0.48 -0.15 -0.22 -3.33 0.00 0.00 175.10 171.89 1xf5 s LEU 166 N 0.58 2.60 0.08 2.54 0.20 0.14 -4.93 118.68 119.88 1xf5 s LEU 166 Ca -0.04 -0.38 0.09 0.00 0.69 0.00 0.00 54.13 54.49 1xf5 s LEU 166 Cb -0.15 -1.58 -0.03 0.00 -0.43 0.00 0.00 46.19 44.00 1xf5 s LEU 166 CO 0.03 0.15 -0.21 0.20 -0.29 0.00 0.00 176.35 176.22 1xf5 s ASN 167 N 0.42 3.60 -0.05 3.68 0.01 -1.26 -0.85 114.94 120.49 1xf5 s ASN 167 Ca -0.11 -0.56 -0.02 0.00 -0.71 0.00 0.00 52.86 51.46 1xf5 s ASN 167 Cb -0.16 -0.45 0.03 0.00 0.41 0.00 0.00 41.25 41.08 1xf5 s ASN 167 CO 0.05 0.22 0.12 -0.55 -1.51 0.00 0.00 177.10 175.43 1xf5 s SER 168 N -1.69 -0.08 -0.09 -1.22 0.15 -0.08 -4.99 113.70 105.70 1xf5 s SER 168 Ca 0.15 0.24 -0.02 0.00 0.70 0.00 0.00 55.95 57.01 1xf5 s SER 168 Cb -0.10 0.14 -0.03 0.00 -1.71 0.00 0.00 66.02 64.32 1xf5 s SER 168 CO 0.06 -0.13 0.01 0.26 1.20 0.00 0.00 173.24 174.65 1xf5 s TRP 169 N 0.97 3.20 0.82 3.44 0.51 -1.26 0.36 118.94 126.98 1xf5 s TRP 169 Ca -0.08 0.22 -0.09 0.00 -2.12 0.00 0.00 56.10 54.04 1xf5 s TRP 169 Cb -0.10 -1.80 0.14 0.00 -0.81 0.00 0.00 33.47 30.90 1xf5 s TRP 169 CO -0.04 0.49 1.14 0.95 -0.51 0.00 0.00 176.95 178.98 1xf5 s THR 170 N -0.88 2.10 0.74 2.01 -4.23 -0.09 -5.00 115.64 110.29 1xf5 s THR 170 Ca 0.13 -0.26 -0.10 0.00 -1.18 0.00 0.00 61.69 60.29 1xf5 s THR 170 Cb -0.11 -2.84 0.05 0.00 1.34 0.00 0.00 72.50 70.94 1xf5 s THR 170 CO 0.02 0.00 1.09 -1.81 -0.54 0.00 0.00 174.62 173.39 1xf5 s ASP 171 N -4.75 4.89 0.13 3.99 1.01 -1.26 -4.65 116.67 116.03 1xf5 s ASP 171 Ca 0.68 0.76 -0.31 0.00 0.71 0.00 0.00 52.55 54.39 1xf5 s ASP 171 Cb -0.06 -1.41 -0.11 0.00 1.01 0.00 0.00 42.92 42.36 1xf5 s ASP 171 CO 0.48 -1.62 1.84 1.67 0.21 0.00 0.00 175.17 177.75 1xf5 n GLN 172 N -3.08 2.84 -1.69 8.23 7.27 -1.26 -4.69 117.38 125.01 1xf5 n GLN 172 Ca 0.07 1.03 -0.44 0.00 0.07 0.00 0.00 57.00 57.73 1xf5 n GLN 172 Cb 0.60 -2.93 -0.03 0.00 2.41 0.00 0.00 30.24 30.29 1xf5 n GLN 172 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1xf5 n ASP 173 N 5.62 3.05 0.05 1.69 -0.08 0.01 -4.87 116.55 122.02 1xf5 n ASP 173 Ca 0.18 1.13 0.10 0.00 -1.51 0.00 0.00 54.79 54.69 1xf5 n ASP 173 Cb 0.38 -1.46 0.41 0.00 2.34 0.00 0.00 41.12 42.78 1xf5 n ASP 173 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1xf5 n SER 174 N 2.40 0.25 -0.09 1.67 3.41 -1.26 -2.06 113.62 117.95 1xf5 n SER 174 Ca 0.12 0.55 -0.18 0.00 -0.26 0.00 0.00 58.87 59.11 1xf5 n SER 174 Cb 0.32 -0.61 -0.06 0.00 -0.26 0.00 0.00 64.21 63.60 1xf5 n SER 174 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xf5 n LYS 175 N -1.77 0.41 -0.24 4.33 4.76 -1.26 -2.85 118.16 121.53 1xf5 n LYS 175 Ca 0.04 0.18 0.08 0.00 -2.87 0.00 0.00 58.31 55.74 1xf5 n LYS 175 Cb 0.23 -1.19 0.22 0.00 -1.84 0.00 0.00 35.03 32.44 1xf5 n LYS 175 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1xf5 n ASP 176 N -3.96 3.30 -1.49 4.39 5.68 -1.26 -4.79 116.55 118.43 1xf5 n ASP 176 Ca -0.32 -1.97 -0.18 0.00 -0.50 0.00 0.00 54.79 51.81 1xf5 n ASP 176 Cb 0.68 -0.32 -0.08 0.00 -1.14 0.00 0.00 41.12 40.27 1xf5 n ASP 176 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1xf5 n SER 177 N 1.03 -5.12 -4.65 -1.12 7.64 -0.87 -4.98 113.62 105.55 1xf5 n SER 177 Ca 0.17 0.46 -0.22 0.00 1.01 0.00 0.00 58.87 60.28 1xf5 n SER 177 Cb 0.51 -4.48 0.11 0.00 -1.01 0.00 0.00 64.21 59.33 1xf5 n SER 177 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1xf5 n THR 178 N -2.26 0.00 -4.39 0.44 -2.24 -1.26 -4.67 114.28 99.90 1xf5 n THR 178 Ca -0.18 -1.66 -0.21 0.00 -2.27 0.00 0.00 64.05 59.72 1xf5 n THR 178 Cb 0.63 -0.80 -0.10 0.00 -2.10 0.00 0.00 70.33 67.95 1xf5 n THR 178 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1xf5 s TYR 179 N -2.99 1.95 0.10 4.78 1.51 0.11 -0.81 117.35 122.00 1xf5 s TYR 179 Ca 0.65 -0.46 0.05 0.00 -1.01 0.00 0.00 57.07 56.30 1xf5 s TYR 179 Cb -0.04 -0.89 -0.03 0.00 -0.11 0.00 0.00 41.96 40.88 1xf5 s TYR 179 CO 0.43 0.48 -0.13 -1.12 -1.11 0.00 0.00 175.55 174.10 1xf5 s SER 180 N -3.24 1.70 -0.06 2.29 0.01 -1.26 -0.81 113.70 112.33 1xf5 s SER 180 Ca 0.24 -0.74 -0.02 0.00 1.31 0.00 0.00 55.95 56.73 1xf5 s SER 180 Cb -0.03 -0.04 0.04 0.00 0.21 0.00 0.00 66.02 66.20 1xf5 s SER 180 CO 0.10 -0.16 0.13 -0.32 0.41 0.00 0.00 173.24 173.39 1xf5 s MET 181 N -2.39 0.07 -0.08 12.44 1.75 -0.38 -0.91 119.30 129.79 1xf5 s MET 181 Ca 0.04 0.35 -0.05 0.00 -1.25 0.00 0.00 55.69 54.78 1xf5 s MET 181 Cb -0.06 -0.20 -0.04 0.00 2.84 0.00 0.00 34.83 37.37 1xf5 s MET 181 CO 0.02 -0.17 0.12 0.45 -0.65 0.00 0.00 175.02 174.78 1xf5 s SER 182 N 1.22 6.11 -0.05 1.11 0.15 0.16 -1.58 113.70 120.82 1xf5 s SER 182 Ca -0.08 0.36 -0.00 0.00 0.70 0.00 0.00 55.95 56.92 1xf5 s SER 182 Cb -0.12 -1.91 0.03 0.00 -1.71 0.00 0.00 66.02 62.31 1xf5 s SER 182 CO -0.05 0.37 -0.01 -0.55 1.20 0.00 0.00 173.24 174.19 1xf5 s SER 183 N -1.22 1.02 -0.05 5.45 0.15 -0.15 -0.90 113.70 118.00 1xf5 s SER 183 Ca 0.17 -0.07 0.05 0.00 0.70 0.00 0.00 55.95 56.80 1xf5 s SER 183 Cb -0.12 -0.37 -0.01 0.00 -1.71 0.00 0.00 66.02 63.82 1xf5 s SER 183 CO 0.07 -0.12 -0.19 -0.89 1.20 0.00 0.00 173.24 173.30 1xf5 s THR 184 N 1.35 1.61 -0.30 6.45 2.01 -0.03 0.05 115.64 126.79 1xf5 s THR 184 Ca -0.05 -0.82 -0.05 0.00 0.31 0.00 0.00 61.69 61.08 1xf5 s THR 184 Cb -0.13 -1.38 0.02 0.00 0.01 0.00 0.00 72.50 71.02 1xf5 s THR 184 CO -0.02 0.46 0.05 -0.22 -0.69 0.00 0.00 174.62 174.20 1xf5 s LEU 185 N -0.01 3.84 -0.19 4.42 2.96 0.32 0.24 118.68 130.26 1xf5 s LEU 185 Ca -0.04 -0.89 -0.05 0.00 -0.22 0.00 0.00 54.13 52.93 1xf5 s LEU 185 Cb -0.12 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 1xf5 s LEU 185 CO 0.03 -0.22 0.00 -0.89 -1.32 0.00 0.00 176.35 173.95 1xf5 s THR 186 N 1.42 4.01 0.00 3.68 2.01 0.18 -0.52 115.64 126.42 1xf5 s THR 186 Ca 0.00 -0.30 0.00 0.00 0.31 0.00 0.00 61.69 61.71 1xf5 s THR 186 Cb -0.18 -2.81 0.00 0.00 0.01 0.00 0.00 72.50 69.52 1xf5 s THR 186 CO 0.01 0.44 0.00 0.18 -0.69 0.00 0.00 174.62 174.56 1xf5 n LEU 187 N 4.12 0.00 -4.57 4.42 4.77 0.17 -4.73 117.00 121.18 1xf5 n LEU 187 Ca -0.17 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.52 1xf5 n LEU 187 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1xf5 n LEU 187 CO 0.32 0.00 -0.42 0.42 -1.33 0.00 0.00 177.39 176.38 1xf5 s THR 188 N 0.06 3.28 0.23 -5.08 -4.23 -1.26 -3.08 115.64 105.55 1xf5 s THR 188 Ca 0.00 -1.43 -0.07 0.00 -1.18 0.00 0.00 61.69 59.01 1xf5 s THR 188 Cb 0.00 -2.57 0.21 0.00 1.34 0.00 0.00 72.50 71.48 1xf5 s THR 188 CO 0.00 0.02 1.69 0.50 -0.54 0.00 0.00 174.62 176.29 1xf5 h LYS 189 N 3.33 0.24 -0.36 3.99 3.64 -1.54 0.11 116.57 125.97 1xf5 h LYS 189 Ca -0.48 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1xf5 h LYS 189 Cb 1.18 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 1xf5 h LYS 189 CO 0.52 0.16 0.23 -0.44 -2.27 0.00 0.00 179.45 177.65 1xf5 h ASP 190 N 0.24 0.38 0.44 4.20 3.45 -1.95 -1.68 116.42 121.50 1xf5 h ASP 190 Ca 0.37 -0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.81 1xf5 h ASP 190 Cb 0.61 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.30 1xf5 h ASP 190 CO -0.49 0.28 -0.21 -0.08 -1.57 0.00 0.00 179.24 177.17 1xf5 h GLU 191 N 0.46 -0.57 -0.90 3.56 4.57 -1.64 -2.97 114.58 117.09 1xf5 h GLU 191 Ca 0.14 0.04 0.24 0.00 -1.18 0.00 0.00 59.36 58.60 1xf5 h GLU 191 Cb -0.03 0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.64 1xf5 h GLU 191 CO -0.05 -0.29 0.63 -0.92 -1.18 0.00 0.00 179.01 177.20 1xf5 h TYR 192 N -0.79 0.20 -0.00 0.92 3.20 -0.78 0.20 116.97 119.93 1xf5 h TYR 192 Ca -0.06 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.82 1xf5 h TYR 192 Cb 0.54 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.75 1xf5 h TYR 192 CO -0.00 0.04 -0.09 0.39 -1.64 0.00 0.00 178.16 176.86 1xf5 n GLU 193 N -4.36 0.57 -1.04 1.82 1.02 -0.64 -3.43 120.64 114.57 1xf5 n GLU 193 Ca 0.19 -0.15 -0.11 0.00 -0.02 0.00 0.00 57.16 57.07 1xf5 n GLU 193 Cb 0.88 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 31.06 1xf5 n GLU 193 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1xf5 n ARG 194 N -1.08 3.23 -3.86 3.49 1.74 0.71 -4.92 116.66 115.97 1xf5 n ARG 194 Ca 0.14 -2.92 -0.09 0.00 -0.77 0.00 0.00 57.85 54.21 1xf5 n ARG 194 Cb 0.27 -2.17 -0.04 0.00 -1.02 0.00 0.00 32.46 29.50 1xf5 n ARG 194 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1xf5 s HIS 195 N -2.95 0.05 0.00 -1.55 3.76 -1.22 -5.09 115.29 108.30 1xf5 s HIS 195 Ca 0.53 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 55.02 1xf5 s HIS 195 Cb 0.43 0.36 0.00 0.00 1.11 0.00 0.00 32.58 34.48 1xf5 s HIS 195 CO 0.12 -0.99 0.00 -1.71 -0.85 0.00 0.00 174.74 171.32 1xf5 n ASN 196 N -0.37 0.19 -4.46 1.40 5.15 -1.26 -4.81 115.26 111.10 1xf5 n ASN 196 Ca -0.06 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.57 1xf5 n ASN 196 Cb 0.62 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.74 1xf5 n ASN 196 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1xf5 s SER 197 N -4.95 4.97 -0.12 1.20 1.04 -1.26 -0.46 113.70 114.12 1xf5 s SER 197 Ca 0.00 -0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.27 1xf5 s SER 197 Cb 0.00 -1.86 -0.00 0.00 0.10 0.00 0.00 66.02 64.26 1xf5 s SER 197 CO 0.00 0.05 -0.19 -0.31 0.98 0.00 0.00 173.24 173.78 1xf5 s TYR 198 N 1.07 2.68 0.01 5.02 2.02 -0.98 0.51 117.35 127.68 1xf5 s TYR 198 Ca 0.03 -0.93 -0.03 0.00 -0.37 0.00 0.00 57.07 55.77 1xf5 s TYR 198 Cb -0.14 -1.79 -0.01 0.00 -0.40 0.00 0.00 41.96 39.62 1xf5 s TYR 198 CO 0.02 -0.37 0.03 0.95 -1.57 0.00 0.00 175.55 174.61 1xf5 s THR 199 N 0.45 0.09 -0.06 -0.71 -4.23 -0.96 -2.16 115.64 108.05 1xf5 s THR 199 Ca -0.13 -0.78 0.05 0.00 -1.18 0.00 0.00 61.69 59.65 1xf5 s THR 199 Cb -0.17 -0.31 -0.01 0.00 1.34 0.00 0.00 72.50 73.35 1xf5 s THR 199 CO 0.06 -0.43 -0.24 0.00 -0.54 0.00 0.00 174.62 173.48 1xf5 s GLU 201 N -0.04 3.21 -0.23 0.00 2.02 1.00 -2.49 118.70 122.17 1xf5 s GLU 201 Ca -0.06 -0.72 -0.10 0.00 0.02 0.00 0.00 54.97 54.11 1xf5 s GLU 201 Cb -0.14 -2.84 -0.05 0.00 0.10 0.00 0.00 34.13 31.20 1xf5 s GLU 201 CO 0.04 -0.21 0.15 0.00 0.02 0.00 0.00 175.26 175.27 1xf5 s ALA 202 N 1.40 3.62 -0.22 5.21 0.00 -0.37 -0.84 121.76 130.56 1xf5 s ALA 202 Ca 0.05 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.16 1xf5 s ALA 202 Cb -0.14 -2.29 0.02 0.00 0.00 0.00 0.00 23.12 20.72 1xf5 s ALA 202 CO -0.07 -0.12 -0.12 0.99 0.00 0.00 0.00 175.76 176.44 1xf5 s THR 203 N 0.90 2.54 0.12 0.00 2.01 0.32 -1.79 115.64 119.73 1xf5 s THR 203 Ca 0.08 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.14 1xf5 s THR 203 Cb -0.13 -2.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 1xf5 s THR 203 CO 0.03 0.35 -0.08 -2.28 -0.69 0.00 0.00 174.62 171.95 1xf5 s HIS 204 N 1.31 1.06 0.20 4.92 2.46 -1.26 -1.28 115.29 122.70 1xf5 s HIS 204 Ca 0.02 -0.81 -0.18 0.00 0.47 0.00 0.00 55.06 54.57 1xf5 s HIS 204 Cb -0.15 -0.57 0.18 0.00 -0.13 0.00 0.00 32.58 31.91 1xf5 s HIS 204 CO -0.08 -0.03 1.60 0.87 -2.47 0.00 0.00 174.74 174.62 1xf5 h LYS 205 N 3.00 -0.10 0.00 2.88 1.57 -1.94 -2.60 116.57 119.39 1xf5 h LYS 205 Ca -0.36 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1xf5 h LYS 205 Cb 1.18 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1xf5 h LYS 205 CO 0.62 -0.06 0.00 0.25 -0.57 0.00 0.00 179.45 179.69 1xf5 n THR 206 N -5.45 0.00 -3.63 -0.16 -2.24 -1.26 -4.57 114.28 96.97 1xf5 n THR 206 Ca 0.06 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.81 1xf5 n THR 206 Cb 0.36 -0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.39 1xf5 n THR 206 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xf5 s SER 207 N -0.58 -0.05 -0.21 3.42 0.15 -0.98 -4.88 113.70 110.56 1xf5 s SER 207 Ca 0.00 0.02 -0.13 0.00 0.70 0.00 0.00 55.95 56.54 1xf5 s SER 207 Cb 0.00 0.05 -0.19 0.00 -1.71 0.00 0.00 66.02 64.18 1xf5 s SER 207 CO 0.00 -0.08 0.04 0.35 1.20 0.00 0.00 173.24 174.75 1xf5 n THR 208 N 0.14 1.58 -3.23 6.45 -2.24 -1.26 -4.62 114.28 111.10 1xf5 n THR 208 Ca 0.03 -0.34 -0.39 0.00 -2.27 0.00 0.00 64.05 61.08 1xf5 n THR 208 Cb 0.57 -1.84 -0.06 0.00 -2.10 0.00 0.00 70.33 66.90 1xf5 n THR 208 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1xf5 s SER 209 N -7.02 7.10 0.79 3.42 1.04 -1.26 -5.02 113.70 112.75 1xf5 s SER 209 Ca -0.31 1.31 -0.12 0.00 0.48 0.00 0.00 55.95 57.31 1xf5 s SER 209 Cb 0.09 -2.38 0.06 0.00 0.10 0.00 0.00 66.02 63.89 1xf5 s SER 209 CO 0.61 0.25 1.11 -2.16 0.98 0.00 0.00 173.24 174.03 1xf5 s PRO 210 N -1.04 2.19 -0.26 4.02 0.04 -1.26 -4.94 135.00 133.75 1xf5 s PRO 210 Ca 0.30 0.51 -0.11 0.00 0.04 0.00 0.00 61.00 61.74 1xf5 s PRO 210 Cb -0.20 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 1xf5 s PRO 210 CO 0.20 -1.52 0.20 0.42 0.04 0.00 0.00 177.00 176.34 1xf5 s ILE 211 N -3.26 5.32 -0.14 0.56 -1.09 -0.74 -4.89 121.20 116.96 1xf5 s ILE 211 Ca 0.60 0.22 0.01 0.00 -2.23 0.00 0.00 60.65 59.25 1xf5 s ILE 211 Cb -0.13 -3.53 -0.00 0.00 -1.58 0.00 0.00 42.46 37.21 1xf5 s ILE 211 CO 0.53 0.28 -0.16 0.68 -1.23 0.00 0.00 174.94 175.04 1xf5 s VAL 212 N 1.47 2.66 0.05 2.92 -7.23 -1.26 -1.24 120.40 117.77 1xf5 s VAL 212 Ca 0.08 -0.78 0.09 0.00 -1.81 0.00 0.00 61.98 59.56 1xf5 s VAL 212 Cb -0.15 -2.11 -0.03 0.00 0.56 0.00 0.00 36.38 34.65 1xf5 s VAL 212 CO 0.08 0.52 -0.26 -0.54 -0.31 0.00 0.00 175.10 174.60 1xf5 s LYS 213 N 0.64 1.79 0.17 4.82 3.01 -1.04 -4.99 119.74 124.14 1xf5 s LYS 213 Ca -0.09 -1.12 -0.14 0.00 -1.01 0.00 0.00 55.97 53.61 1xf5 s LYS 213 Cb -0.16 -2.00 0.05 0.00 -1.01 0.00 0.00 37.83 34.72 1xf5 s LYS 213 CO 0.03 0.51 0.69 -1.13 0.51 0.00 0.00 175.35 175.95 1xf5 n SER 214 N 1.67 -1.34 -3.63 2.83 3.41 -1.26 -1.59 113.62 113.71 1xf5 n SER 214 Ca -0.17 -1.78 -0.08 0.00 -0.26 0.00 0.00 58.87 56.59 1xf5 n SER 214 Cb 0.52 2.20 -0.02 0.00 -0.26 0.00 0.00 64.21 66.65 1xf5 n SER 214 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1xf5 s PHE 215 N -3.48 -0.30 -0.24 7.33 -0.12 -0.92 -5.01 117.98 115.23 1xf5 s PHE 215 Ca 0.15 0.03 0.02 0.00 -0.05 0.00 0.00 56.93 57.08 1xf5 s PHE 215 Cb -0.02 0.61 0.05 0.00 -0.63 0.00 0.00 43.02 43.03 1xf5 s PHE 215 CO 0.05 -0.85 -0.12 -0.80 -0.05 0.00 0.00 175.22 173.45 1xf5 s ASN 216 N -2.77 4.17 0.56 1.98 0.02 -1.26 -2.31 114.94 115.33 1xf5 s ASN 216 Ca 0.07 -1.26 0.37 0.00 -1.02 0.00 0.00 52.86 51.03 1xf5 s ASN 216 Cb -0.02 -1.50 1.51 0.00 0.02 0.00 0.00 41.25 41.26 1xf5 s ASN 216 CO -0.03 -0.17 1.73 -0.09 0.02 0.00 0.00 177.10 178.56 1xf5 h ARG 217 N 7.82 0.00 0.00 -0.60 2.43 -1.08 0.44 114.38 123.39 1xf5 h ARG 217 Ca -0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1xf5 h ARG 217 Cb 1.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1xf5 h ARG 217 CO 0.48 0.00 0.00 -2.95 -1.51 0.00 0.00 179.97 175.99 1xf5 h ASN 218 N 0.00 0.00 -0.81 -3.80 -0.00 -1.92 -3.16 115.58 105.89 1xf5 h ASN 218 Ca 0.57 0.00 -0.48 0.00 -0.00 0.00 0.00 56.30 56.39 1xf5 h ASN 218 Cb 2.43 0.00 -0.25 0.00 -0.00 0.00 0.00 38.32 40.51 1xf5 h ASN 218 CO -0.01 0.00 0.62 -0.62 -0.00 0.00 0.00 177.43 177.42 1xf5 n GLU 219 N -3.05 2.18 0.00 4.14 1.02 0.15 -5.27 120.64 119.81 1xf5 n GLU 219 Ca 0.02 -2.55 0.01 0.00 -0.02 0.00 0.00 57.16 54.62 1xf5 n GLU 219 Cb 0.36 -2.00 0.01 0.00 -0.02 0.00 0.00 31.44 29.79 1xf5 n GLU 219 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31