#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xcq s ILE 2 N 0.00 1.07 -0.67 0.53 1.01 -1.26 -5.02 121.20 116.87 1xcq s ILE 2 Ca 0.00 -0.91 -0.26 0.00 0.00 0.00 0.00 60.65 59.48 1xcq s ILE 2 Cb 0.00 -1.44 -0.11 0.00 0.01 0.00 0.00 42.46 40.92 1xcq s ILE 2 CO 0.00 -0.14 2.42 0.52 0.00 0.00 0.00 174.94 177.74 1xcq n VAL 3 N 4.85 -0.04 -3.13 2.92 0.31 -1.26 -4.81 118.33 117.17 1xcq n VAL 3 Ca -0.11 -0.63 -0.39 0.00 -0.01 0.00 0.00 64.34 63.20 1xcq n VAL 3 Cb 0.45 -2.32 -0.05 0.00 -0.91 0.00 0.00 33.84 31.01 1xcq n VAL 3 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1xcq s MET 4 N 8.66 4.33 0.02 5.55 1.75 -1.26 -2.68 119.30 135.66 1xcq s MET 4 Ca 0.96 0.69 0.01 0.00 -1.25 0.00 0.00 55.69 56.09 1xcq s MET 4 Cb -0.16 -3.50 -0.01 0.00 2.84 0.00 0.00 34.83 34.00 1xcq s MET 4 CO 0.16 -0.04 -0.03 -1.12 -0.65 0.00 0.00 175.02 173.34 1xcq s SER 5 N 0.92 0.33 -0.01 1.11 0.01 -1.18 -4.46 113.70 110.41 1xcq s SER 5 Ca 0.32 -0.32 0.03 0.00 1.31 0.00 0.00 55.95 57.29 1xcq s SER 5 Cb -0.16 0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.10 1xcq s SER 5 CO 0.13 -0.15 -0.11 -1.58 0.41 0.00 0.00 173.24 171.94 1xcq s GLN 6 N -0.91 0.92 0.17 12.44 0.74 -1.26 0.25 119.66 132.02 1xcq s GLN 6 Ca -0.08 -0.37 -0.13 0.00 0.05 0.00 0.00 55.36 54.83 1xcq s GLN 6 Cb -0.06 -0.88 0.01 0.00 1.10 0.00 0.00 33.01 33.18 1xcq s GLN 6 CO -0.00 0.20 0.39 -1.54 -0.55 0.00 0.00 175.29 173.79 1xcq s SER 7 N -0.14 -0.10 0.53 6.67 1.04 0.41 -4.66 113.70 117.46 1xcq s SER 7 Ca 0.02 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1xcq s SER 7 Cb -0.05 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1xcq s SER 7 CO -0.00 -0.96 0.00 -0.81 0.98 0.00 0.00 173.24 172.45 1xcq n PRO 8 N -0.26 0.49 -0.08 4.02 -0.04 -1.26 0.28 135.00 138.15 1xcq n PRO 8 Ca -0.09 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.29 1xcq n PRO 8 Cb 0.63 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.05 1xcq n PRO 8 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1xcq h SER 9 N 0.00 0.00 -3.55 3.54 0.87 -1.86 -3.42 113.55 109.13 1xcq h SER 9 Ca 0.00 -0.10 -0.67 0.00 -1.23 0.00 0.00 61.79 59.79 1xcq h SER 9 Cb 0.00 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 61.80 1xcq h SER 9 CO 0.00 0.88 -0.69 -0.55 -0.53 0.00 0.00 176.83 175.94 1xcq s SER 10 N -5.94 4.74 -0.33 6.23 0.15 -1.26 -1.25 113.70 116.03 1xcq s SER 10 Ca -0.17 -0.12 -0.00 0.00 0.70 0.00 0.00 55.95 56.36 1xcq s SER 10 Cb 0.03 -1.13 0.13 0.00 -1.71 0.00 0.00 66.02 63.34 1xcq s SER 10 CO 0.28 0.28 0.24 -0.76 1.20 0.00 0.00 173.24 174.48 1xcq s LEU 11 N -1.48 0.46 0.05 3.45 1.43 -0.86 -4.97 118.68 116.76 1xcq s LEU 11 Ca 0.18 -1.65 -0.18 0.00 -1.03 0.00 0.00 54.13 51.45 1xcq s LEU 11 Cb -0.11 -0.03 -0.06 0.00 0.03 0.00 0.00 46.19 46.01 1xcq s LEU 11 CO 0.08 -0.34 0.53 0.00 0.23 0.00 0.00 176.35 176.86 1xcq s ALA 12 N 1.56 3.61 0.00 4.21 0.00 -1.26 -3.07 121.76 126.81 1xcq s ALA 12 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1xcq s ALA 12 Cb -0.18 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.36 1xcq s ALA 12 CO -0.13 0.41 0.00 1.33 0.00 0.00 0.00 175.76 177.37 1xcq n VAL 13 N 1.77 0.00 -3.60 0.00 0.24 -1.26 -4.95 118.33 110.53 1xcq n VAL 13 Ca -0.11 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.10 1xcq n VAL 13 Cb 0.51 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.86 1xcq n VAL 13 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1xcq s SER 14 N 1.43 -0.42 0.17 -1.34 0.15 -1.26 -1.73 113.70 110.70 1xcq s SER 14 Ca 0.00 -0.24 -0.30 0.00 0.70 0.00 0.00 55.95 56.11 1xcq s SER 14 Cb 0.00 0.62 -0.17 0.00 -1.71 0.00 0.00 66.02 64.75 1xcq s SER 14 CO 0.00 -1.06 0.63 0.00 1.20 0.00 0.00 173.24 174.00 1xcq n ALA 15 N -0.40 -2.93 -0.52 5.45 0.00 -1.26 -1.20 120.51 119.64 1xcq n ALA 15 Ca -0.11 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1xcq n ALA 15 Cb 0.62 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1xcq n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xcq n GLY 16 N 1.90 0.00 3.69 0.00 0.00 0.31 -4.85 105.19 106.25 1xcq n GLY 16 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1xcq n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xcq n GLU 17 N -0.52 -2.46 -3.73 1.61 1.02 -0.34 -3.98 120.64 112.24 1xcq n GLU 17 Ca 0.00 -1.89 -0.37 0.00 -0.02 0.00 0.00 57.16 54.88 1xcq n GLU 17 Cb 0.00 -1.56 -0.12 0.00 -0.02 0.00 0.00 31.44 29.74 1xcq n GLU 17 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1xcq s LYS 18 N -5.68 3.52 -0.02 3.49 -2.85 -1.22 -1.79 119.74 115.18 1xcq s LYS 18 Ca 0.74 -0.57 0.05 0.00 -1.00 0.00 0.00 55.97 55.18 1xcq s LYS 18 Cb -0.05 -3.40 -0.03 0.00 -2.06 0.00 0.00 37.83 32.30 1xcq s LYS 18 CO 0.55 -0.27 -0.16 0.54 0.10 0.00 0.00 175.35 176.10 1xcq s VAL 19 N 1.61 2.90 -0.16 1.79 0.11 -1.18 -4.94 120.40 120.52 1xcq s VAL 19 Ca 0.06 -0.87 -0.07 0.00 -2.93 0.00 0.00 61.98 58.16 1xcq s VAL 19 Cb -0.16 -2.14 0.07 0.00 -1.53 0.00 0.00 36.38 32.62 1xcq s VAL 19 CO 0.04 0.53 0.36 0.28 -3.33 0.00 0.00 175.10 172.98 1xcq s THR 20 N -0.77 -0.26 0.33 5.04 -1.32 -1.26 -1.44 115.64 115.97 1xcq s THR 20 Ca 0.12 0.15 0.08 0.00 -1.21 0.00 0.00 61.69 60.83 1xcq s THR 20 Cb -0.11 -0.56 -0.04 0.00 -1.51 0.00 0.00 72.50 70.29 1xcq s THR 20 CO 0.02 0.06 0.20 -0.04 -2.21 0.00 0.00 174.62 172.65 1xcq s MET 21 N 1.88 2.52 -0.02 7.08 -1.94 0.19 -4.76 119.30 124.24 1xcq s MET 21 Ca -0.06 -1.44 -0.01 0.00 -1.71 0.00 0.00 55.69 52.48 1xcq s MET 21 Cb -0.10 -2.30 0.01 0.00 2.01 0.00 0.00 34.83 34.45 1xcq s MET 21 CO -0.11 0.12 0.04 -1.54 -0.01 0.00 0.00 175.02 173.51 1xcq s SER 22 N -3.90 -0.02 0.01 3.03 1.04 0.80 -2.30 113.70 112.36 1xcq s SER 22 Ca 0.39 0.07 0.06 0.00 0.48 0.00 0.00 55.95 56.95 1xcq s SER 22 Cb -0.04 0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.10 1xcq s SER 22 CO 0.24 -0.04 -0.18 0.00 0.98 0.00 0.00 173.24 174.24 1xcq s LYS 24 N -1.13 0.32 0.00 0.00 3.01 0.70 0.15 119.74 122.79 1xcq s LYS 24 Ca 0.13 -0.02 0.00 0.00 -1.01 0.00 0.00 55.97 55.07 1xcq s LYS 24 Cb -0.10 -0.67 0.00 0.00 -1.01 0.00 0.00 37.83 36.04 1xcq s LYS 24 CO 0.03 -0.95 0.00 -1.13 0.51 0.00 0.00 175.35 173.81 1xcq n SER 25 N 5.32 0.00 0.00 2.83 3.41 -0.99 -3.10 113.62 121.09 1xcq n SER 25 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1xcq n SER 25 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1xcq n SER 25 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1xcq n SER 26 N 0.00 0.00 -4.16 4.04 3.41 -1.09 -4.57 113.62 111.24 1xcq n SER 26 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 1xcq n SER 26 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1xcq n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xcq s GLN 27 N -0.27 0.87 0.00 4.33 -2.07 -1.26 -5.00 119.66 116.27 1xcq s GLN 27 Ca 0.00 -1.39 0.00 0.00 -1.82 0.00 0.00 55.36 52.15 1xcq s GLN 27 Cb 0.00 0.03 0.00 0.00 -1.09 0.00 0.00 33.01 31.95 1xcq s GLN 27 CO 0.00 -0.15 0.00 0.45 -1.32 0.00 0.00 175.29 174.27 1xcq n SER 28 N -0.07 0.00 -2.58 12.60 2.88 -1.26 -4.92 113.62 120.27 1xcq n SER 28 Ca -0.09 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.31 1xcq n SER 28 Cb 0.62 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.11 1xcq n SER 28 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1xcq n LEU 29 N 0.00 2.66 0.00 2.46 0.00 -1.26 -5.01 117.00 115.85 1xcq n LEU 29 Ca 0.00 -4.10 0.00 0.00 0.00 0.00 0.00 56.01 51.91 1xcq n LEU 29 Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 43.42 43.55 1xcq n LEU 29 CO 0.00 1.71 0.00 0.00 0.00 0.00 0.00 177.39 179.10 1xcq n LEU 30 N -0.32 0.00 -4.35 -1.96 -0.00 -1.26 -3.31 117.00 105.80 1xcq n LEU 30 Ca 0.20 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.79 1xcq n LEU 30 Cb 0.79 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 44.12 1xcq n LEU 30 CO 0.27 0.00 -0.06 0.21 -0.00 0.00 0.00 177.39 177.81 1xcq s ASN 31 N 0.00 5.91 0.00 1.45 2.47 -1.26 -5.00 114.94 118.51 1xcq s ASN 31 Ca 0.00 -1.29 0.00 0.00 0.42 0.00 0.00 52.86 51.99 1xcq s ASN 31 Cb 0.00 -2.09 0.00 0.00 -1.45 0.00 0.00 41.25 37.71 1xcq s ASN 31 CO 0.00 -0.55 0.13 -1.54 -3.72 0.00 0.00 177.10 171.42 1xcq n SER 32 N 5.07 0.00 -0.00 -4.21 3.41 -1.26 -2.07 113.62 114.56 1xcq n SER 32 Ca -0.11 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.56 1xcq n SER 32 Cb 0.44 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.29 1xcq n SER 32 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xcq n ARG 33 N -0.58 1.02 -0.34 4.33 5.12 -1.26 -4.37 116.66 120.59 1xcq n ARG 33 Ca 0.00 -0.09 0.09 0.00 -1.93 0.00 0.00 57.85 55.92 1xcq n ARG 33 Cb 0.00 -1.27 0.26 0.00 -1.16 0.00 0.00 32.46 30.29 1xcq n ARG 33 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1xcq n THR 34 N -1.79 1.23 -1.80 0.55 -2.24 -0.88 -5.01 114.28 104.34 1xcq n THR 34 Ca -0.01 -1.09 0.00 0.00 -2.27 0.00 0.00 64.05 60.67 1xcq n THR 34 Cb 0.31 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 1xcq n THR 34 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xcq n ARG 35 N 0.96 -0.63 -3.62 -0.78 1.74 -1.21 -4.87 116.66 108.25 1xcq n ARG 35 Ca 0.19 -0.11 -0.16 0.00 -0.77 0.00 0.00 57.85 57.00 1xcq n ARG 35 Cb 0.61 0.20 -0.07 0.00 -1.02 0.00 0.00 32.46 32.18 1xcq n ARG 35 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1xcq s LYS 36 N -2.27 0.91 -0.09 5.56 1.02 -1.26 -5.10 119.74 118.51 1xcq s LYS 36 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 55.97 56.03 1xcq s LYS 36 Cb 0.00 0.42 -0.03 0.00 -0.52 0.00 0.00 37.83 37.70 1xcq s LYS 36 CO 0.00 -0.28 -0.08 -0.80 -0.92 0.00 0.00 175.35 173.27 1xcq s ASN 37 N -1.33 4.54 0.00 2.83 -0.87 -1.25 -4.41 114.94 114.45 1xcq s ASN 37 Ca -0.11 -0.09 -0.00 0.00 -1.57 0.00 0.00 52.86 51.08 1xcq s ASN 37 Cb -0.02 -1.30 -0.02 0.00 -0.02 0.00 0.00 41.25 39.89 1xcq s ASN 37 CO 0.07 0.30 1.00 -1.22 -2.57 0.00 0.00 177.10 174.68 1xcq n TYR 38 N 2.61 0.00 -2.56 2.20 4.02 -1.21 0.21 117.16 122.44 1xcq n TYR 38 Ca -0.18 -0.44 -0.12 0.00 -0.01 0.00 0.00 57.90 57.15 1xcq n TYR 38 Cb 0.53 -0.46 0.06 0.00 -0.02 0.00 0.00 39.34 39.45 1xcq n TYR 38 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1xcq n LEU 39 N 2.01 0.00 0.00 7.72 -0.00 -1.26 -1.03 117.00 124.44 1xcq n LEU 39 Ca 0.04 -1.17 0.00 0.00 -0.00 0.00 0.00 56.01 54.88 1xcq n LEU 39 Cb 0.23 -0.32 0.00 0.00 -0.00 0.00 0.00 43.42 43.33 1xcq n LEU 39 CO 0.04 -0.73 0.00 0.00 -0.00 0.00 0.00 177.39 176.70 1xcq n ALA 40 N -2.89 0.00 -3.69 1.96 0.00 -0.13 -3.54 120.51 112.22 1xcq n ALA 40 Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.16 1xcq n ALA 40 Cb 0.32 0.00 -0.18 0.00 0.00 0.00 0.00 19.45 19.59 1xcq n ALA 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1xcq s TRP 41 N -2.00 0.10 0.12 0.00 0.52 -1.11 -1.29 118.94 115.29 1xcq s TRP 41 Ca 0.00 0.20 0.07 0.00 0.02 0.00 0.00 56.10 56.39 1xcq s TRP 41 Cb 0.00 -0.46 -0.04 0.00 -1.15 0.00 0.00 33.47 31.82 1xcq s TRP 41 CO 0.00 -0.18 -0.16 0.71 0.02 0.00 0.00 176.95 177.34 1xcq s TYR 42 N 1.96 1.53 -0.20 -1.98 1.51 -0.68 -0.19 117.35 119.31 1xcq s TYR 42 Ca 0.02 -0.51 0.01 0.00 -1.01 0.00 0.00 57.07 55.59 1xcq s TYR 42 Cb -0.12 -0.80 0.04 0.00 -0.11 0.00 0.00 41.96 40.96 1xcq s TYR 42 CO -0.03 0.19 -0.14 -1.14 -1.11 0.00 0.00 175.55 173.32 1xcq s GLN 43 N -2.49 2.38 -0.93 -0.62 0.74 0.16 0.34 119.66 119.25 1xcq s GLN 43 Ca 0.09 -0.92 -0.08 0.00 0.05 0.00 0.00 55.36 54.50 1xcq s GLN 43 Cb -0.06 -2.53 0.24 0.00 1.10 0.00 0.00 33.01 31.75 1xcq s GLN 43 CO 0.04 -0.37 0.86 -1.14 -0.55 0.00 0.00 175.29 174.13 1xcq s GLN 44 N 1.31 3.64 0.28 1.67 0.74 -0.95 -2.28 119.66 124.07 1xcq s GLN 44 Ca -0.00 -2.94 -0.29 0.00 0.05 0.00 0.00 55.36 52.17 1xcq s GLN 44 Cb -0.16 -4.29 -0.10 0.00 1.10 0.00 0.00 33.01 29.56 1xcq s GLN 44 CO -0.09 -1.25 1.34 0.15 -0.55 0.00 0.00 175.29 174.89 1xcq s LYS 45 N -0.75 4.34 -0.29 1.67 1.02 -1.26 -3.58 119.74 120.89 1xcq s LYS 45 Ca 0.25 2.20 -0.27 0.00 0.02 0.00 0.00 55.97 58.17 1xcq s LYS 45 Cb -0.11 -3.11 -0.11 0.00 -0.52 0.00 0.00 37.83 33.98 1xcq s LYS 45 CO -0.09 -0.26 1.07 -2.30 -0.92 0.00 0.00 175.35 172.85 1xcq n PRO 46 N 1.57 0.00 -1.83 -1.68 -0.02 -1.26 -1.92 135.00 129.86 1xcq n PRO 46 Ca 0.03 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.50 1xcq n PRO 46 Cb 0.42 -0.88 -0.00 0.00 -0.02 0.00 0.00 33.50 33.01 1xcq n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xcq n GLY 47 N 3.20 0.36 3.17 -1.23 0.00 -1.26 -5.05 105.19 104.37 1xcq n GLY 47 Ca 0.24 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 1xcq n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xcq s GLN 48 N -3.68 0.84 1.29 1.61 -0.21 -0.81 -5.15 119.66 113.56 1xcq s GLN 48 Ca 0.00 -1.23 -0.18 0.00 0.02 0.00 0.00 55.36 53.97 1xcq s GLN 48 Cb 0.00 0.27 0.32 0.00 1.00 0.00 0.00 33.01 34.61 1xcq s GLN 48 CO 0.00 -0.24 0.99 -1.54 -2.12 0.00 0.00 175.29 172.38 1xcq s SER 49 N -2.96 -0.00 1.13 5.90 1.04 -1.26 -4.56 113.70 113.00 1xcq s SER 49 Ca 0.14 1.10 -0.11 0.00 0.48 0.00 0.00 55.95 57.55 1xcq s SER 49 Cb 0.06 -1.64 0.16 0.00 0.10 0.00 0.00 66.02 64.70 1xcq s SER 49 CO -0.05 -4.75 0.57 -2.65 0.98 0.00 0.00 173.24 167.35 1xcq n PRO 50 N -5.24 -2.17 -3.69 4.02 -0.02 -1.26 -4.38 135.00 122.25 1xcq n PRO 50 Ca 0.08 -0.92 -0.11 0.00 -2.02 0.00 0.00 63.50 60.53 1xcq n PRO 50 Cb 0.58 -0.87 -0.10 0.00 -0.02 0.00 0.00 33.50 33.09 1xcq n PRO 50 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1xcq s LYS 51 N -4.30 0.51 0.38 -0.52 2.20 -0.97 -4.87 119.74 112.17 1xcq s LYS 51 Ca 0.37 0.82 -0.15 0.00 -0.36 0.00 0.00 55.97 56.65 1xcq s LYS 51 Cb -0.04 0.12 -0.08 0.00 -1.51 0.00 0.00 37.83 36.32 1xcq s LYS 51 CO 0.29 -0.12 0.80 0.54 -0.36 0.00 0.00 175.35 176.49 1xcq s VAL 52 N 0.99 4.66 -0.02 4.02 0.11 -1.26 0.39 120.40 129.28 1xcq s VAL 52 Ca -0.06 0.96 0.00 0.00 -2.93 0.00 0.00 61.98 59.95 1xcq s VAL 52 Cb -0.06 -3.65 -0.02 0.00 -1.53 0.00 0.00 36.38 31.12 1xcq s VAL 52 CO -0.09 -0.34 -0.02 0.18 -3.33 0.00 0.00 175.10 171.51 1xcq n LEU 53 N -0.76 2.81 -3.54 2.54 4.32 0.73 -4.84 117.00 118.27 1xcq n LEU 53 Ca 0.04 -0.01 -0.08 0.00 -0.02 0.00 0.00 56.01 55.94 1xcq n LEU 53 Cb 0.54 -0.07 -0.02 0.00 -1.62 0.00 0.00 43.42 42.24 1xcq n LEU 53 CO 0.43 0.51 0.63 0.27 -1.22 0.00 0.00 177.39 178.01 1xcq s ILE 54 N -2.05 0.00 0.36 -0.08 -0.00 -1.23 -1.52 121.20 116.69 1xcq s ILE 54 Ca -0.03 -0.15 -0.02 0.00 -0.00 0.00 0.00 60.65 60.45 1xcq s ILE 54 Cb 0.01 -1.20 0.01 0.00 -0.00 0.00 0.00 42.46 41.28 1xcq s ILE 54 CO 0.06 0.00 0.51 -0.72 -0.00 0.00 0.00 174.94 174.78 1xcq s TYR 55 N -3.30 1.07 -1.68 1.37 1.13 -1.21 -2.73 117.35 111.99 1xcq s TYR 55 Ca 0.06 -1.31 -0.01 0.00 -1.41 0.00 0.00 57.07 54.39 1xcq s TYR 55 Cb -0.01 -0.04 0.00 0.00 -1.10 0.00 0.00 41.96 40.81 1xcq s TYR 55 CO -0.07 -1.19 0.18 0.91 -2.51 0.00 0.00 175.55 172.86 1xcq n TRP 56 N -0.59 -1.31 0.00 -3.49 8.01 -1.22 -0.69 117.44 118.15 1xcq n TRP 56 Ca 0.01 0.15 0.00 0.00 -1.31 0.00 0.00 57.50 56.35 1xcq n TRP 56 Cb 0.61 -4.05 0.00 0.00 -2.01 0.00 0.00 31.31 25.86 1xcq n TRP 56 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1xcq n ALA 57 N -2.48 0.00 -3.15 6.99 0.00 0.13 -3.94 120.51 118.06 1xcq n ALA 57 Ca -0.20 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.29 1xcq n ALA 57 Cb 0.66 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.10 1xcq n ALA 57 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xcq s SER 58 N 0.00 -0.22 -0.49 0.00 1.04 0.13 -4.47 113.70 109.69 1xcq s SER 58 Ca 0.00 0.08 0.06 0.00 0.48 0.00 0.00 55.95 56.56 1xcq s SER 58 Cb 0.00 1.16 0.22 0.00 0.10 0.00 0.00 66.02 67.50 1xcq s SER 58 CO 0.00 -0.04 0.84 0.41 0.98 0.00 0.00 173.24 175.43 1xcq n THR 59 N 5.27 0.00 -1.36 2.02 -1.04 -0.57 -4.84 114.28 113.77 1xcq n THR 59 Ca 0.01 -1.20 -0.29 0.00 -2.04 0.00 0.00 64.05 60.53 1xcq n THR 59 Cb 0.56 1.23 -0.17 0.00 -1.82 0.00 0.00 70.33 70.13 1xcq n THR 59 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1xcq n ARG 60 N 2.26 0.00 -1.66 -2.82 1.74 -1.26 -3.33 116.66 111.59 1xcq n ARG 60 Ca 0.13 0.00 -0.51 0.00 -0.77 0.00 0.00 57.85 56.70 1xcq n ARG 60 Cb 0.60 -1.15 -0.05 0.00 -1.02 0.00 0.00 32.46 30.84 1xcq n ARG 60 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1xcq n GLU 61 N 6.45 1.64 -0.60 5.56 4.07 -0.57 -4.85 120.64 132.33 1xcq n GLU 61 Ca 0.60 0.60 -0.21 0.00 -0.06 0.00 0.00 57.16 58.09 1xcq n GLU 61 Cb 0.07 -2.33 0.02 0.00 -0.06 0.00 0.00 31.44 29.15 1xcq n GLU 61 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1xcq n SER 62 N 4.28 -3.10 0.00 4.31 7.64 -1.26 -0.89 113.62 124.59 1xcq n SER 62 Ca 0.21 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1xcq n SER 62 Cb 0.23 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 1xcq n SER 62 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xcq n GLY 63 N 1.84 2.28 3.90 0.23 0.00 -1.26 -4.94 105.19 107.25 1xcq n GLY 63 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1xcq n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xcq s VAL 64 N -0.70 5.02 1.00 1.61 0.11 -0.07 -5.06 120.40 122.32 1xcq s VAL 64 Ca 0.00 0.13 -0.19 0.00 -2.93 0.00 0.00 61.98 58.99 1xcq s VAL 64 Cb 0.00 -3.70 -0.09 0.00 -1.53 0.00 0.00 36.38 31.06 1xcq s VAL 64 CO 0.00 -0.24 -0.61 -2.65 -3.33 0.00 0.00 175.10 168.27 1xcq n PRO 65 N -0.69 -0.26 -0.15 1.54 -0.02 -1.26 -4.83 135.00 129.33 1xcq n PRO 65 Ca -0.01 -0.06 0.11 0.00 -2.02 0.00 0.00 63.50 61.51 1xcq n PRO 65 Cb 0.53 -1.27 0.28 0.00 -0.02 0.00 0.00 33.50 33.02 1xcq n PRO 65 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1xcq n ASP 66 N 1.81 2.57 -0.01 2.55 10.43 -1.26 -4.01 116.55 128.63 1xcq n ASP 66 Ca 0.00 -1.87 -0.19 0.00 2.57 0.00 0.00 54.79 55.29 1xcq n ASP 66 Cb 0.61 -0.20 -0.14 0.00 1.84 0.00 0.00 41.12 43.23 1xcq n ASP 66 CO 0.00 0.00 0.00 0.08 -1.07 0.00 0.00 177.20 176.21 1xcq h ARG 67 N 3.29 0.17 -1.29 -1.24 0.11 -1.88 -3.37 114.38 110.18 1xcq h ARG 67 Ca 0.00 -0.29 0.00 0.00 0.10 0.00 0.00 59.98 59.79 1xcq h ARG 67 Cb 0.73 0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.92 1xcq h ARG 67 CO 0.00 1.14 0.00 1.19 0.10 0.00 0.00 179.97 182.40 1xcq n PHE 68 N -4.21 0.00 -1.38 4.08 3.72 -1.25 -4.21 117.46 114.21 1xcq n PHE 68 Ca -0.19 -0.46 -0.44 0.00 -0.05 0.00 0.00 57.45 56.32 1xcq n PHE 68 Cb 0.75 -0.25 -0.01 0.00 -0.94 0.00 0.00 39.48 39.03 1xcq n PHE 68 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1xcq n THR 69 N 0.72 1.34 -3.88 4.37 -1.04 -1.25 -4.69 114.28 109.86 1xcq n THR 69 Ca 0.00 -0.50 -0.22 0.00 -2.04 0.00 0.00 64.05 61.29 1xcq n THR 69 Cb 0.40 -0.17 -0.05 0.00 -1.82 0.00 0.00 70.33 68.69 1xcq n THR 69 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1xcq s GLY 70 N -0.97 2.05 0.10 3.41 0.00 -1.26 -3.28 107.32 107.37 1xcq s GLY 70 Ca 0.61 -1.87 -0.05 0.00 0.00 0.00 0.00 44.72 43.42 1xcq s GLY 70 CO 0.60 -1.73 0.24 -0.96 0.00 0.00 0.00 173.10 171.24 1xcq n ARG 71 N -1.33 0.29 -1.34 2.90 1.85 -1.24 -4.84 116.66 112.95 1xcq n ARG 71 Ca -0.00 -0.58 0.00 0.00 -1.00 0.00 0.00 57.85 56.26 1xcq n ARG 71 Cb 0.62 0.74 0.00 0.00 -1.05 0.00 0.00 32.46 32.77 1xcq n ARG 71 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1xcq n GLY 72 N -0.16 -2.26 0.00 2.89 0.00 -1.26 -4.09 105.19 100.31 1xcq n GLY 72 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1xcq n GLY 72 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xcq n SER 73 N -2.21 0.00 0.00 1.61 3.41 -1.25 -4.80 113.62 110.37 1xcq n SER 73 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1xcq n SER 73 Cb 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1xcq n SER 73 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xcq n GLY 74 N 5.00 1.08 0.09 5.00 0.00 -1.26 -3.24 105.19 111.86 1xcq n GLY 74 Ca 0.00 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.68 1xcq n GLY 74 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1xcq n THR 75 N 0.00 0.51 -3.86 2.61 5.66 -1.26 -4.51 114.28 113.42 1xcq n THR 75 Ca 0.00 -0.45 -0.36 0.00 -3.05 0.00 0.00 64.05 60.19 1xcq n THR 75 Cb 0.00 -0.23 -0.07 0.00 -1.55 0.00 0.00 70.33 68.49 1xcq n THR 75 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1xcq s ASP 76 N -4.93 6.29 0.11 1.09 1.01 -1.20 -2.34 116.67 116.70 1xcq s ASP 76 Ca 0.01 0.39 -0.16 0.00 0.71 0.00 0.00 52.55 53.51 1xcq s ASP 76 Cb 0.11 -2.05 0.03 0.00 1.01 0.00 0.00 42.92 42.02 1xcq s ASP 76 CO 0.78 0.35 0.38 -0.36 0.21 0.00 0.00 175.17 176.52 1xcq s PHE 77 N -0.65 -0.18 0.02 4.23 0.08 0.39 -3.89 117.98 117.99 1xcq s PHE 77 Ca 0.13 -0.12 -0.20 0.00 0.12 0.00 0.00 56.93 56.86 1xcq s PHE 77 Cb -0.12 0.22 0.04 0.00 -0.57 0.00 0.00 43.02 42.60 1xcq s PHE 77 CO 0.02 -0.67 0.46 0.95 -0.10 0.00 0.00 175.22 175.88 1xcq s THR 78 N -3.64 0.04 -0.11 0.64 -4.23 -1.26 0.49 115.64 107.57 1xcq s THR 78 Ca 0.02 -0.34 0.03 0.00 -1.18 0.00 0.00 61.69 60.21 1xcq s THR 78 Cb 0.02 -0.90 0.01 0.00 1.34 0.00 0.00 72.50 72.96 1xcq s THR 78 CO -0.11 -0.19 -0.19 -0.22 -0.54 0.00 0.00 174.62 173.37 1xcq s LEU 79 N -1.76 1.92 -0.27 4.79 2.96 -0.97 -3.60 118.68 121.75 1xcq s LEU 79 Ca -0.08 -0.49 -0.09 0.00 -0.22 0.00 0.00 54.13 53.25 1xcq s LEU 79 Cb -0.01 -1.24 -0.04 0.00 0.50 0.00 0.00 46.19 45.40 1xcq s LEU 79 CO 0.01 0.08 0.13 0.42 -1.32 0.00 0.00 176.35 175.67 1xcq s THR 80 N 0.71 4.84 -0.55 3.68 -4.23 -1.21 0.55 115.64 119.44 1xcq s THR 80 Ca -0.11 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 60.65 1xcq s THR 80 Cb -0.16 -3.29 0.28 0.00 1.34 0.00 0.00 72.50 70.67 1xcq s THR 80 CO 0.02 0.29 1.75 0.40 -0.54 0.00 0.00 174.62 176.54 1xcq h ILE 81 N 5.46 0.00 0.00 2.99 1.08 -1.46 -3.31 117.51 122.27 1xcq h ILE 81 Ca -0.36 -0.41 0.00 0.00 -0.39 0.00 0.00 64.86 63.70 1xcq h ILE 81 Cb 1.18 1.30 0.00 0.00 -3.07 0.00 0.00 36.82 36.23 1xcq h ILE 81 CO 0.56 0.00 0.00 -1.54 -0.69 0.00 0.00 178.15 176.48 1xcq n SER 82 N -2.37 0.00 -3.48 1.72 3.41 -1.23 -4.18 113.62 107.49 1xcq n SER 82 Ca 0.04 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.23 1xcq n SER 82 Cb 0.34 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.19 1xcq n SER 82 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1xcq n SER 83 N 2.81 1.25 -4.23 4.04 3.41 -0.74 -3.13 113.62 117.03 1xcq n SER 83 Ca 0.00 -2.49 -0.34 0.00 -0.26 0.00 0.00 58.87 55.77 1xcq n SER 83 Cb 0.00 -0.62 0.08 0.00 -0.26 0.00 0.00 64.21 63.42 1xcq n SER 83 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1xcq n VAL 84 N 6.65 0.04 -4.53 -3.33 0.24 -0.99 -4.23 118.33 112.17 1xcq n VAL 84 Ca 0.44 -0.34 -0.25 0.00 -2.04 0.00 0.00 64.34 62.15 1xcq n VAL 84 Cb 0.38 -0.34 -0.06 0.00 -1.47 0.00 0.00 33.84 32.35 1xcq n VAL 84 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xcq n GLN 85 N 0.23 0.70 -0.03 7.34 1.13 -1.26 0.11 117.38 125.60 1xcq n GLN 85 Ca 0.03 -3.21 -0.13 0.00 -1.94 0.00 0.00 57.00 51.74 1xcq n GLN 85 Cb 0.54 1.44 -0.01 0.00 0.11 0.00 0.00 30.24 32.32 1xcq n GLN 85 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1xcq h ALA 86 N 1.49 0.51 0.00 -1.58 0.00 -1.96 -2.66 119.26 115.06 1xcq h ALA 86 Ca -0.32 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1xcq h ALA 86 Cb 1.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1xcq h ALA 86 CO 0.52 0.69 0.00 -0.85 0.00 0.00 0.00 179.25 179.61 1xcq n GLU 87 N -3.97 0.95 0.00 0.00 0.00 -1.19 -2.51 120.64 113.92 1xcq n GLU 87 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.24 1xcq n GLU 87 Cb 0.65 -1.44 0.33 0.00 0.00 0.00 0.00 31.44 30.98 1xcq n GLU 87 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1xcq n ASP 88 N -0.01 1.49 -4.67 -1.84 10.43 -1.00 -4.94 116.55 116.00 1xcq n ASP 88 Ca 0.00 -1.25 -0.42 0.00 2.57 0.00 0.00 54.79 55.69 1xcq n ASP 88 Cb 0.22 0.14 -0.03 0.00 1.84 0.00 0.00 41.12 43.30 1xcq n ASP 88 CO 0.00 0.00 0.00 -1.58 -1.07 0.00 0.00 177.20 174.55 1xcq s GLN 89 N -2.32 4.17 0.00 -1.24 -0.44 -1.04 -4.86 119.66 113.92 1xcq s GLN 89 Ca 0.27 2.43 0.00 0.00 -2.50 0.00 0.00 55.36 55.56 1xcq s GLN 89 Cb 0.20 -3.85 0.00 0.00 -1.64 0.00 0.00 33.01 27.71 1xcq s GLN 89 CO 0.46 -0.85 0.00 0.00 0.50 0.00 0.00 175.29 175.41 1xcq n ALA 90 N 6.54 0.00 -3.75 1.58 0.00 -1.26 -4.64 120.51 118.98 1xcq n ALA 90 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.27 1xcq n ALA 90 Cb 0.41 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.71 1xcq n ALA 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xcq s VAL 91 N -3.00 2.80 -0.06 0.00 1.01 -1.23 0.03 120.40 119.95 1xcq s VAL 91 Ca 0.00 -1.10 -0.20 0.00 0.00 0.00 0.00 61.98 60.68 1xcq s VAL 91 Cb 0.00 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 1xcq s VAL 91 CO 0.00 0.17 0.56 -0.31 0.00 0.00 0.00 175.10 175.51 1xcq s TYR 92 N 1.30 3.60 0.19 5.22 1.51 0.53 -2.25 117.35 127.45 1xcq s TYR 92 Ca -0.01 1.08 0.10 0.00 -1.01 0.00 0.00 57.07 57.23 1xcq s TYR 92 Cb -0.17 -2.60 -0.04 0.00 -0.11 0.00 0.00 41.96 39.04 1xcq s TYR 92 CO -0.05 0.26 -0.18 0.71 -1.11 0.00 0.00 175.55 175.18 1xcq s TYR 93 N 0.22 2.44 -0.16 2.71 1.51 0.15 -0.38 117.35 123.85 1xcq s TYR 93 Ca 0.30 -0.30 0.01 0.00 -1.01 0.00 0.00 57.07 56.06 1xcq s TYR 93 Cb -0.17 -1.20 0.02 0.00 -0.11 0.00 0.00 41.96 40.50 1xcq s TYR 93 CO 0.14 0.51 -0.18 0.00 -1.11 0.00 0.00 175.55 174.92 1xcq s LYS 95 N 1.33 2.28 0.36 0.00 2.20 -0.41 -3.36 119.74 122.14 1xcq s LYS 95 Ca 0.04 -1.57 0.06 0.00 -0.36 0.00 0.00 55.97 54.14 1xcq s LYS 95 Cb -0.13 -2.11 -0.02 0.00 -1.51 0.00 0.00 37.83 34.06 1xcq s LYS 95 CO -0.11 0.17 0.22 0.00 -0.36 0.00 0.00 175.35 175.27 1xcq n GLN 96 N -1.05 0.48 0.00 4.03 -0.00 -1.26 -0.96 117.38 118.63 1xcq n GLN 96 Ca -0.04 -3.33 0.00 0.00 -0.00 0.00 0.00 57.00 53.63 1xcq n GLN 96 Cb 0.61 2.31 0.00 0.00 -0.00 0.00 0.00 30.24 33.16 1xcq n GLN 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xcq n ALA 97 N -0.90 0.00 0.23 2.61 0.00 -0.20 -3.69 120.51 118.56 1xcq n ALA 97 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1xcq n ALA 97 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1xcq n ALA 97 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1xcq n TYR 98 N 0.00 0.00 -3.37 0.00 9.36 -1.26 -3.63 117.16 118.26 1xcq n TYR 98 Ca 0.00 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.16 1xcq n TYR 98 Cb 0.00 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.64 1xcq n TYR 98 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1xcq s ILE 99 N -3.14 -0.71 1.04 2.97 1.01 -1.26 -4.88 121.20 116.23 1xcq s ILE 99 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 60.65 60.48 1xcq s ILE 99 Cb 0.00 -0.84 0.08 0.00 0.01 0.00 0.00 42.46 41.71 1xcq s ILE 99 CO 0.00 -0.06 0.22 -0.81 0.00 0.00 0.00 174.94 174.29 1xcq n PRO 100 N 5.39 -0.99 -1.53 2.79 -0.04 -1.24 -4.68 135.00 134.70 1xcq n PRO 100 Ca -0.04 -0.26 -0.28 0.00 -0.04 0.00 0.00 63.50 62.88 1xcq n PRO 100 Cb 0.50 -1.79 0.21 0.00 -0.04 0.00 0.00 33.50 32.39 1xcq n PRO 100 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1xcq n PRO 101 N -1.97 -1.90 -2.55 0.54 -0.04 -1.26 -4.75 135.00 123.07 1xcq n PRO 101 Ca 0.04 -1.86 -0.40 0.00 -0.04 0.00 0.00 63.50 61.24 1xcq n PRO 101 Cb 0.58 -1.40 -0.05 0.00 -0.04 0.00 0.00 33.50 32.59 1xcq n PRO 101 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xcq s LEU 102 N 0.00 4.51 0.00 1.53 1.02 -1.26 -4.91 118.68 119.57 1xcq s LEU 102 Ca 0.71 2.16 0.01 0.00 0.02 0.00 0.00 54.13 57.02 1xcq s LEU 102 Cb -0.04 -3.71 0.14 0.00 0.02 0.00 0.00 46.19 42.61 1xcq s LEU 102 CO 0.51 -0.12 0.99 0.35 0.02 0.00 0.00 176.35 178.10 1xcq n THR 103 N 1.07 0.00 -3.10 5.49 -2.24 -1.24 -5.02 114.28 109.24 1xcq n THR 103 Ca -0.00 -1.62 0.04 0.00 -2.27 0.00 0.00 64.05 60.19 1xcq n THR 103 Cb 0.46 -0.85 -0.00 0.00 -2.10 0.00 0.00 70.33 67.84 1xcq n THR 103 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1xcq s PHE 104 N -3.08 -1.12 0.55 4.78 0.40 -1.26 -4.22 117.98 114.03 1xcq s PHE 104 Ca 0.66 0.50 -0.19 0.00 -0.60 0.00 0.00 56.93 57.30 1xcq s PHE 104 Cb -0.04 0.20 -0.05 0.00 0.51 0.00 0.00 43.02 43.63 1xcq s PHE 104 CO 0.44 -0.69 1.13 0.20 0.70 0.00 0.00 175.22 177.00 1xcq s GLY 105 N 2.56 2.59 0.12 4.36 0.00 -1.21 -4.91 107.32 110.82 1xcq s GLY 105 Ca 0.18 0.80 -0.30 0.00 0.00 0.00 0.00 44.72 45.40 1xcq s GLY 105 CO -0.20 1.15 1.50 0.00 0.00 0.00 0.00 173.10 175.55 1xcq h ALA 106 N 1.10 -0.71 0.00 3.20 0.00 -1.89 -3.42 119.26 117.54 1xcq h ALA 106 Ca -0.50 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xcq h ALA 106 Cb 1.26 1.12 0.00 0.00 0.00 0.00 0.00 17.79 20.17 1xcq h ALA 106 CO 0.57 -0.97 0.00 0.41 0.00 0.00 0.00 179.25 179.25 1xcq n GLY 107 N -1.33 3.13 3.22 0.00 0.00 -1.26 -4.93 105.19 104.03 1xcq n GLY 107 Ca -0.03 -1.91 -0.34 0.00 0.00 0.00 0.00 46.02 43.75 1xcq n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xcq s THR 108 N -2.18 2.64 -0.05 2.61 2.01 0.49 -4.79 115.64 116.37 1xcq s THR 108 Ca 0.00 -0.75 -0.28 0.00 0.31 0.00 0.00 61.69 60.97 1xcq s THR 108 Cb 0.00 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 1xcq s THR 108 CO 0.00 0.50 0.89 -0.75 -0.69 0.00 0.00 174.62 174.57 1xcq s LYS 109 N 1.20 4.47 -0.94 4.92 2.20 -0.38 -0.35 119.74 130.87 1xcq s LYS 109 Ca 0.02 1.23 -0.01 0.00 -0.36 0.00 0.00 55.97 56.85 1xcq s LYS 109 Cb -0.14 -3.48 0.33 0.00 -1.51 0.00 0.00 37.83 33.03 1xcq s LYS 109 CO -0.06 -0.10 1.88 -0.11 -0.36 0.00 0.00 175.35 176.60 1xcq n LEU 110 N 4.21 7.33 0.00 5.43 7.94 0.10 -2.03 117.00 139.98 1xcq n LEU 110 Ca 0.04 -5.18 0.00 0.00 -1.11 0.00 0.00 56.01 49.76 1xcq n LEU 110 Cb 0.50 -1.11 0.00 0.00 0.53 0.00 0.00 43.42 43.35 1xcq n LEU 110 CO 0.50 1.95 0.00 -0.62 -1.11 0.00 0.00 177.39 178.11 1xcq n GLU 111 N -0.25 1.71 -3.89 1.96 1.02 -1.17 -4.49 120.64 115.52 1xcq n GLU 111 Ca 0.49 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.54 1xcq n GLU 111 Cb 0.26 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.67 1xcq n GLU 111 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1xcq s LEU 112 N 0.00 0.06 0.16 -4.62 2.96 -1.26 -4.14 118.68 111.84 1xcq s LEU 112 Ca 0.00 -0.96 -0.17 0.00 -0.22 0.00 0.00 54.13 52.79 1xcq s LEU 112 Cb 0.00 2.50 0.03 0.00 0.50 0.00 0.00 46.19 49.22 1xcq s LEU 112 CO 0.00 -1.44 0.46 -0.54 -1.32 0.00 0.00 176.35 173.50 1xcq s LYS 113 N -3.22 1.22 0.00 1.98 1.02 -0.70 -4.76 119.74 115.28 1xcq s LYS 113 Ca 0.16 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.36 1xcq s LYS 113 Cb -0.04 0.49 0.00 0.00 -0.52 0.00 0.00 37.83 37.76 1xcq s LYS 113 CO 0.10 -0.50 0.00 2.89 -0.92 0.00 0.00 175.35 176.92 1xcq n ARG 114 N -0.28 -2.44 -1.46 1.68 1.85 -1.26 -4.60 116.66 110.14 1xcq n ARG 114 Ca -0.13 0.00 -0.46 0.00 -1.00 0.00 0.00 57.85 56.26 1xcq n ARG 114 Cb 0.63 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.95 1xcq n ARG 114 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1xcq n ALA 115 N 0.00 0.72 -1.44 2.89 0.00 -1.26 -4.79 120.51 116.64 1xcq n ALA 115 Ca 0.00 -0.29 -0.49 0.00 0.00 0.00 0.00 53.44 52.66 1xcq n ALA 115 Cb 0.00 -2.58 -0.03 0.00 0.00 0.00 0.00 19.45 16.84 1xcq n ALA 115 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xcq n ASP 116 N 11.15 -0.77 -4.26 0.00 10.43 -1.26 -4.77 116.55 127.07 1xcq n ASP 116 Ca 0.48 1.14 -0.28 0.00 2.57 0.00 0.00 54.79 58.70 1xcq n ASP 116 Cb 0.22 -0.99 -0.08 0.00 1.84 0.00 0.00 41.12 42.11 1xcq n ASP 116 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1xcq s ALA 117 N -0.89 3.28 -0.04 2.24 0.00 -0.55 -4.86 121.76 120.95 1xcq s ALA 117 Ca 0.66 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.71 1xcq s ALA 117 Cb -0.93 0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 1xcq s ALA 117 CO 0.56 -0.26 -0.18 0.00 0.00 0.00 0.00 175.76 175.89 1xcq s ALA 118 N -3.11 1.57 -0.07 0.00 0.00 -1.26 -3.86 121.76 115.03 1xcq s ALA 118 Ca 0.18 -0.74 -0.30 0.00 0.00 0.00 0.00 51.96 51.10 1xcq s ALA 118 Cb 0.02 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 1xcq s ALA 118 CO 0.12 0.31 1.47 -1.25 0.00 0.00 0.00 175.76 176.41 1xcq s PRO 119 N -0.11 4.22 -0.73 0.00 0.04 -1.26 -4.76 135.00 132.41 1xcq s PRO 119 Ca -0.01 1.97 -0.19 0.00 0.04 0.00 0.00 61.00 62.82 1xcq s PRO 119 Cb -0.10 -3.80 0.12 0.00 0.04 0.00 0.00 34.50 30.76 1xcq s PRO 119 CO 0.01 -0.73 0.87 0.99 0.04 0.00 0.00 177.00 178.19 1xcq s THR 120 N 3.40 4.81 0.16 1.26 2.01 0.49 -4.71 115.64 123.07 1xcq s THR 120 Ca 0.65 -1.24 -0.32 0.00 0.31 0.00 0.00 61.69 61.09 1xcq s THR 120 Cb -0.29 -4.60 -0.12 0.00 0.01 0.00 0.00 72.50 67.50 1xcq s THR 120 CO 0.24 -1.28 1.76 0.52 -0.69 0.00 0.00 174.62 175.17 1xcq n VAL 121 N 5.39 0.15 -3.69 3.82 0.31 -1.25 -2.82 118.33 120.24 1xcq n VAL 121 Ca 0.04 -0.03 -0.30 0.00 -0.01 0.00 0.00 64.34 64.04 1xcq n VAL 121 Cb 0.45 -1.99 -0.15 0.00 -0.91 0.00 0.00 33.84 31.24 1xcq n VAL 121 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1xcq s SER 122 N 1.79 3.90 0.07 4.52 0.01 -0.55 -4.94 113.70 118.51 1xcq s SER 122 Ca 0.78 -1.55 -0.04 0.00 1.31 0.00 0.00 55.95 56.46 1xcq s SER 122 Cb -0.52 -0.74 -0.05 0.00 0.21 0.00 0.00 66.02 64.92 1xcq s SER 122 CO 0.35 -0.42 0.29 -0.51 0.41 0.00 0.00 173.24 173.36 1xcq s ILE 123 N 1.73 5.27 -0.07 1.44 2.07 -1.26 -1.64 121.20 128.74 1xcq s ILE 123 Ca 0.09 -0.02 -0.06 0.00 -1.41 0.00 0.00 60.65 59.25 1xcq s ILE 123 Cb -0.17 -3.60 0.02 0.00 0.13 0.00 0.00 42.46 38.84 1xcq s ILE 123 CO -0.28 0.19 0.19 -0.36 -1.91 0.00 0.00 174.94 172.77 1xcq s PHE 124 N -1.48 -0.21 0.17 3.50 0.40 0.55 -4.96 117.98 115.95 1xcq s PHE 124 Ca 0.34 0.50 -0.15 0.00 -0.60 0.00 0.00 56.93 57.03 1xcq s PHE 124 Cb -0.13 0.06 -0.07 0.00 0.51 0.00 0.00 43.02 43.39 1xcq s PHE 124 CO 0.22 -0.11 0.58 -1.25 0.70 0.00 0.00 175.22 175.37 1xcq s PRO 125 N 0.18 4.01 0.99 0.24 0.04 -1.26 -2.39 135.00 136.81 1xcq s PRO 125 Ca -0.01 0.54 -0.15 0.00 0.04 0.00 0.00 61.00 61.42 1xcq s PRO 125 Cb -0.02 -2.89 -0.02 0.00 0.04 0.00 0.00 34.50 31.61 1xcq s PRO 125 CO -0.00 0.44 -0.09 -2.30 0.04 0.00 0.00 177.00 175.09 1xcq n PRO 126 N 0.69 -0.35 -3.98 0.56 -0.02 -1.25 -4.94 135.00 125.71 1xcq n PRO 126 Ca -0.04 -0.08 -0.35 0.00 -2.02 0.00 0.00 63.50 61.01 1xcq n PRO 126 Cb 0.52 -1.55 -0.12 0.00 -0.02 0.00 0.00 33.50 32.33 1xcq n PRO 126 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1xcq s SER 127 N -1.66 5.21 0.16 2.55 1.04 -1.26 -4.98 113.70 114.76 1xcq s SER 127 Ca 0.51 -0.10 0.08 0.00 0.48 0.00 0.00 55.95 56.92 1xcq s SER 127 Cb -0.17 -1.90 0.55 0.00 0.10 0.00 0.00 66.02 64.59 1xcq s SER 127 CO 0.72 0.07 0.68 -1.54 0.98 0.00 0.00 173.24 174.15 1xcq n SER 128 N 4.19 0.12 0.11 7.02 3.41 -1.26 0.17 113.62 127.38 1xcq n SER 128 Ca -0.17 0.72 -0.13 0.00 -0.26 0.00 0.00 58.87 59.04 1xcq n SER 128 Cb 0.52 -0.34 -0.07 0.00 -0.26 0.00 0.00 64.21 64.06 1xcq n SER 128 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1xcq h GLU 129 N 0.00 -0.58 0.00 4.33 4.39 -1.97 0.75 114.58 121.50 1xcq h GLU 129 Ca 0.35 0.04 -0.04 0.00 0.34 0.00 0.00 59.36 60.05 1xcq h GLU 129 Cb 0.91 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1xcq h GLU 129 CO -0.34 -0.39 -0.21 0.37 -1.16 0.00 0.00 179.01 177.28 1xcq h GLN 130 N -0.60 0.00 0.00 2.33 4.15 0.14 -3.11 115.11 118.01 1xcq h GLN 130 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1xcq h GLN 130 Cb 0.59 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1xcq h GLN 130 CO -0.19 0.21 0.00 1.28 -1.93 0.00 0.00 178.83 178.21 1xcq n LEU 131 N -4.00 0.00 0.07 -2.39 7.99 0.25 0.25 117.00 119.17 1xcq n LEU 131 Ca -0.02 0.52 0.01 0.00 -0.01 0.00 0.00 56.01 56.51 1xcq n LEU 131 Cb 0.29 -0.02 0.05 0.00 -0.11 0.00 0.00 43.42 43.63 1xcq n LEU 131 CO 0.35 -0.02 0.62 0.35 -1.51 0.00 0.00 177.39 177.18 1xcq n THR 132 N -0.84 0.28 1.29 -5.08 -2.24 -0.42 0.43 114.28 107.70 1xcq n THR 132 Ca 0.00 0.61 0.14 0.00 -2.27 0.00 0.00 64.05 62.53 1xcq n THR 132 Cb 0.00 -1.61 0.55 0.00 -2.10 0.00 0.00 70.33 67.17 1xcq n THR 132 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1xcq n SER 133 N -1.42 0.45 -1.66 3.42 2.88 0.69 -4.94 113.62 113.05 1xcq n SER 133 Ca -0.00 -0.42 -0.01 0.00 -1.33 0.00 0.00 58.87 57.11 1xcq n SER 133 Cb 0.50 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1xcq n SER 133 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xcq n GLY 134 N 1.34 -0.71 0.00 0.46 0.00 1.45 -5.06 105.19 102.67 1xcq n GLY 134 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1xcq n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xcq n GLY 135 N -0.57 4.29 3.45 -0.02 0.00 -1.18 -4.92 105.19 106.24 1xcq n GLY 135 Ca 0.01 -1.39 -0.05 0.00 0.00 0.00 0.00 46.02 44.59 1xcq n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xcq s ALA 136 N -2.01 -1.58 -0.11 4.61 0.00 -1.12 -2.99 121.76 118.56 1xcq s ALA 136 Ca 0.00 1.92 0.01 0.00 0.00 0.00 0.00 51.96 53.90 1xcq s ALA 136 Cb 0.00 -1.51 -0.01 0.00 0.00 0.00 0.00 23.12 21.60 1xcq s ALA 136 CO 0.00 -0.79 -0.16 0.45 0.00 0.00 0.00 175.76 175.26 1xcq s SER 137 N 2.63 3.79 0.17 0.00 0.15 -1.26 -3.40 113.70 115.79 1xcq s SER 137 Ca -0.04 -0.36 0.05 0.00 0.70 0.00 0.00 55.95 56.29 1xcq s SER 137 Cb -0.11 -1.43 -0.04 0.00 -1.71 0.00 0.00 66.02 62.73 1xcq s SER 137 CO -0.16 0.19 0.19 -0.69 1.20 0.00 0.00 173.24 173.97 1xcq s VAL 138 N 0.17 4.72 -0.00 4.45 1.01 0.68 -3.87 120.40 127.56 1xcq s VAL 138 Ca -0.09 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.88 1xcq s VAL 138 Cb -0.15 -3.43 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 1xcq s VAL 138 CO 0.05 -0.13 -0.00 0.54 0.00 0.00 0.00 175.10 175.56 1xcq s VAL 139 N -1.79 0.04 -0.04 2.92 0.11 -1.01 0.44 120.40 121.07 1xcq s VAL 139 Ca 0.32 -0.02 -0.01 0.00 -2.93 0.00 0.00 61.98 59.34 1xcq s VAL 139 Cb -0.10 -0.04 0.03 0.00 -1.53 0.00 0.00 36.38 34.74 1xcq s VAL 139 CO 0.25 0.01 0.06 0.00 -3.33 0.00 0.00 175.10 172.09 1xcq s PHE 141 N 1.54 3.48 -0.32 0.00 0.08 -0.66 -2.97 117.98 119.13 1xcq s PHE 141 Ca -0.03 0.14 -0.02 0.00 0.12 0.00 0.00 56.93 57.14 1xcq s PHE 141 Cb -0.12 -1.69 0.11 0.00 -0.57 0.00 0.00 43.02 40.74 1xcq s PHE 141 CO -0.03 0.45 0.14 -0.51 -0.10 0.00 0.00 175.22 175.16 1xcq s LEU 142 N -3.49 1.44 -0.01 -0.37 1.43 -0.08 -1.48 118.68 116.12 1xcq s LEU 142 Ca 0.35 -1.66 -0.01 0.00 -1.03 0.00 0.00 54.13 51.79 1xcq s LEU 142 Cb -0.10 -0.61 -0.04 0.00 0.03 0.00 0.00 46.19 45.46 1xcq s LEU 142 CO 0.29 -0.40 0.07 0.20 0.23 0.00 0.00 176.35 176.74 1xcq s ASN 143 N 1.63 5.63 -0.12 2.29 0.01 -1.13 -1.35 114.94 121.91 1xcq s ASN 143 Ca 0.11 0.15 -0.06 0.00 -0.71 0.00 0.00 52.86 52.35 1xcq s ASN 143 Cb -0.18 -1.61 0.02 0.00 0.41 0.00 0.00 41.25 39.89 1xcq s ASN 143 CO -0.24 0.29 0.13 0.59 -1.51 0.00 0.00 177.10 176.35 1xcq n ASN 144 N 1.30 -3.89 -3.49 -1.22 4.13 -1.19 -0.38 115.26 110.53 1xcq n ASN 144 Ca -0.14 1.17 -0.10 0.00 1.68 0.00 0.00 54.58 57.19 1xcq n ASN 144 Cb 0.53 -3.71 -0.03 0.00 -1.54 0.00 0.00 39.78 35.03 1xcq n ASN 144 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1xcq s PHE 145 N -0.51 -0.42 -0.16 3.10 -0.12 -0.87 -4.35 117.98 114.65 1xcq s PHE 145 Ca -0.15 0.35 -0.18 0.00 -0.05 0.00 0.00 56.93 56.90 1xcq s PHE 145 Cb 0.01 0.52 0.05 0.00 -0.63 0.00 0.00 43.02 42.97 1xcq s PHE 145 CO 0.46 -0.60 0.50 -0.47 -0.05 0.00 0.00 175.22 175.06 1xcq s TYR 146 N -2.90 -0.53 0.00 3.49 6.14 -1.25 -2.52 117.35 119.78 1xcq s TYR 146 Ca 0.02 1.24 0.00 0.00 0.64 0.00 0.00 57.07 58.97 1xcq s TYR 146 Cb -0.01 0.19 0.00 0.00 0.42 0.00 0.00 41.96 42.57 1xcq s TYR 146 CO -0.07 -0.30 0.00 -0.35 0.64 0.00 0.00 175.55 175.47 1xcq n PRO 147 N 2.55 0.76 0.00 4.97 -0.04 -1.26 -1.48 135.00 140.51 1xcq n PRO 147 Ca -0.14 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.45 1xcq n PRO 147 Cb 0.56 0.00 0.47 0.00 -0.04 0.00 0.00 33.50 34.49 1xcq n PRO 147 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1xcq n LYS 148 N -0.23 0.24 -2.06 0.54 2.85 -1.26 -4.87 118.16 113.37 1xcq n LYS 148 Ca 0.00 -0.10 -0.42 0.00 -1.05 0.00 0.00 58.31 56.74 1xcq n LYS 148 Cb 0.00 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 32.85 1xcq n LYS 148 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1xcq s ASP 149 N -2.82 6.72 -0.05 -5.58 -0.00 -1.26 -4.91 116.67 108.77 1xcq s ASP 149 Ca 0.18 2.35 -0.23 0.00 -0.00 0.00 0.00 52.55 54.84 1xcq s ASP 149 Cb 0.19 -2.57 0.05 0.00 -0.00 0.00 0.00 42.92 40.59 1xcq s ASP 149 CO 0.58 -0.79 0.51 -0.51 -0.00 0.00 0.00 175.17 174.96 1xcq s ILE 150 N 2.16 0.02 -0.21 0.77 -1.16 -1.26 -4.71 121.20 116.81 1xcq s ILE 150 Ca 0.69 -0.20 -0.11 0.00 -0.51 0.00 0.00 60.65 60.52 1xcq s ILE 150 Cb -0.37 -0.82 0.07 0.00 0.61 0.00 0.00 42.46 41.95 1xcq s ILE 150 CO 0.30 -0.11 0.51 0.20 -2.81 0.00 0.00 174.94 173.03 1xcq s ASN 151 N -1.15 -0.65 0.04 4.50 0.02 -1.24 -5.11 114.94 111.35 1xcq s ASN 151 Ca -0.11 1.13 -0.00 0.00 -1.02 0.00 0.00 52.86 52.86 1xcq s ASN 151 Cb -0.02 1.11 -0.03 0.00 0.02 0.00 0.00 41.25 42.33 1xcq s ASN 151 CO 0.07 -0.21 -0.04 -0.69 0.02 0.00 0.00 177.10 176.25 1xcq s VAL 152 N 1.70 0.21 0.15 1.60 1.01 -1.26 -2.77 120.40 121.04 1xcq s VAL 152 Ca -0.09 -1.28 0.03 0.00 0.00 0.00 0.00 61.98 60.64 1xcq s VAL 152 Cb -0.08 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1xcq s VAL 152 CO -0.15 -0.68 -0.05 -1.59 0.00 0.00 0.00 175.10 172.63 1xcq s LYS 153 N -2.43 1.03 0.04 2.72 -2.85 -1.12 -5.02 119.74 112.11 1xcq s LYS 153 Ca -0.06 -1.46 0.07 0.00 -1.00 0.00 0.00 55.97 53.52 1xcq s LYS 153 Cb -0.03 -0.37 -0.03 0.00 -2.06 0.00 0.00 37.83 35.34 1xcq s LYS 153 CO -0.04 -0.04 -0.21 -1.58 0.10 0.00 0.00 175.35 173.58 1xcq s TRP 154 N -3.54 1.83 0.04 1.78 0.52 -1.26 -1.43 118.94 116.88 1xcq s TRP 154 Ca 0.19 -0.38 0.07 0.00 0.02 0.00 0.00 56.10 56.00 1xcq s TRP 154 Cb 0.05 -1.09 -0.02 0.00 -1.15 0.00 0.00 33.47 31.25 1xcq s TRP 154 CO 0.01 0.09 -0.21 0.15 0.02 0.00 0.00 176.95 177.01 1xcq s LYS 155 N -1.17 1.42 -0.13 4.98 1.02 -1.24 -2.01 119.74 122.60 1xcq s LYS 155 Ca 0.08 -0.94 0.03 0.00 0.02 0.00 0.00 55.97 55.16 1xcq s LYS 155 Cb -0.09 -1.52 0.01 0.00 -0.52 0.00 0.00 37.83 35.71 1xcq s LYS 155 CO 0.02 0.39 -0.22 0.42 -0.92 0.00 0.00 175.35 175.04 1xcq s ILE 156 N -0.79 2.08 0.00 2.17 1.01 1.09 -1.66 121.20 125.10 1xcq s ILE 156 Ca 0.08 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.74 1xcq s ILE 156 Cb -0.09 -1.82 0.00 0.00 0.01 0.00 0.00 42.46 40.56 1xcq s ILE 156 CO 0.02 0.55 0.00 0.47 0.00 0.00 0.00 174.94 175.98 1xcq n ASP 157 N 3.94 -0.91 0.00 3.58 8.00 -0.90 -1.72 116.55 128.54 1xcq n ASP 157 Ca -0.20 0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1xcq n ASP 157 Cb 0.52 -0.95 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 1xcq n ASP 157 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xcq n GLY 158 N -0.45 2.41 3.77 0.44 0.00 -1.26 -4.94 105.19 105.15 1xcq n GLY 158 Ca 0.00 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 1xcq n GLY 158 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xcq s SER 159 N -2.75 6.33 -0.32 1.61 1.04 -0.70 -4.83 113.70 114.08 1xcq s SER 159 Ca 0.00 3.05 -0.21 0.00 0.48 0.00 0.00 55.95 59.27 1xcq s SER 159 Cb 0.00 -2.66 -0.00 0.00 0.10 0.00 0.00 66.02 63.45 1xcq s SER 159 CO 0.00 -0.89 0.67 -0.70 0.98 0.00 0.00 173.24 173.30 1xcq s GLU 160 N -1.83 3.87 0.00 4.02 -6.30 -1.26 0.35 118.70 117.55 1xcq s GLU 160 Ca 0.55 0.32 0.00 0.00 -2.50 0.00 0.00 54.97 53.34 1xcq s GLU 160 Cb -0.47 -3.75 0.00 0.00 0.00 0.00 0.00 34.13 29.91 1xcq s GLU 160 CO 0.61 -0.64 0.00 0.54 0.02 0.00 0.00 175.26 175.79 1xcq n ARG 161 N 6.01 1.08 0.00 4.30 5.12 -0.85 -4.89 116.66 127.43 1xcq n ARG 161 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1xcq n ARG 161 Cb 0.49 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.79 1xcq n ARG 161 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1xcq n GLN 162 N 0.00 0.00 -3.16 5.56 -0.06 -1.26 -4.84 117.38 113.62 1xcq n GLN 162 Ca 0.00 0.00 0.05 0.00 -2.00 0.00 0.00 57.00 55.05 1xcq n GLN 162 Cb 0.00 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.16 1xcq n GLN 162 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 1xcq s ASN 163 N 0.00 -0.62 0.00 1.69 0.01 -1.26 -4.98 114.94 109.78 1xcq s ASN 163 Ca 0.00 0.41 0.00 0.00 -0.71 0.00 0.00 52.86 52.56 1xcq s ASN 163 Cb 0.00 1.53 0.00 0.00 0.41 0.00 0.00 41.25 43.19 1xcq s ASN 163 CO 0.00 -0.12 0.00 0.61 -1.51 0.00 0.00 177.10 176.08 1xcq n GLY 164 N 5.44 2.00 3.35 0.66 0.00 -1.26 -4.89 105.19 110.49 1xcq n GLY 164 Ca -0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.51 1xcq n GLY 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xcq s VAL 165 N -2.00 5.13 -0.44 1.61 0.11 -1.26 -0.97 120.40 122.57 1xcq s VAL 165 Ca 0.00 -1.23 -0.06 0.00 -2.93 0.00 0.00 61.98 57.76 1xcq s VAL 165 Cb 0.00 -4.14 0.12 0.00 -1.53 0.00 0.00 36.38 30.83 1xcq s VAL 165 CO 0.00 -0.66 0.28 -0.76 -3.33 0.00 0.00 175.10 170.63 1xcq s LEU 166 N 1.61 5.47 0.06 2.54 1.43 -0.82 -4.85 118.68 124.11 1xcq s LEU 166 Ca 0.04 -1.99 0.09 0.00 -1.03 0.00 0.00 54.13 51.24 1xcq s LEU 166 Cb -0.26 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 1xcq s LEU 166 CO 0.05 -0.61 -0.24 0.54 0.23 0.00 0.00 176.35 176.32 1xcq s ASN 167 N 2.22 3.39 -0.02 2.29 6.03 -1.26 -0.42 114.94 127.17 1xcq s ASN 167 Ca 0.07 -0.57 0.01 0.00 -1.03 0.00 0.00 52.86 51.34 1xcq s ASN 167 Cb -0.24 -0.37 0.01 0.00 -3.03 0.00 0.00 41.25 37.61 1xcq s ASN 167 CO -0.03 0.24 -0.05 -0.55 -2.03 0.00 0.00 177.10 174.69 1xcq s SER 168 N -1.46 0.71 -0.08 3.54 0.15 -1.21 -4.86 113.70 110.49 1xcq s SER 168 Ca 0.13 -0.10 -0.06 0.00 0.70 0.00 0.00 55.95 56.62 1xcq s SER 168 Cb -0.10 -0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 63.97 1xcq s SER 168 CO 0.04 0.02 0.17 0.26 1.20 0.00 0.00 173.24 174.92 1xcq s TRP 169 N 0.29 3.59 0.05 3.44 0.51 -1.26 -1.53 118.94 124.03 1xcq s TRP 169 Ca -0.03 0.51 -0.23 0.00 -2.12 0.00 0.00 56.10 54.23 1xcq s TRP 169 Cb -0.07 -1.93 -0.06 0.00 -0.81 0.00 0.00 33.47 30.60 1xcq s TRP 169 CO -0.00 0.71 0.71 0.95 -0.51 0.00 0.00 176.95 178.80 1xcq s THR 170 N -1.11 4.72 0.94 2.01 -4.23 0.20 -4.96 115.64 113.22 1xcq s THR 170 Ca 0.19 1.51 -0.12 0.00 -1.18 0.00 0.00 61.69 62.09 1xcq s THR 170 Cb -0.12 -4.05 0.16 0.00 1.34 0.00 0.00 72.50 69.82 1xcq s THR 170 CO 0.08 0.42 1.09 -0.62 -0.54 0.00 0.00 174.62 175.05 1xcq s ASP 171 N -0.33 3.02 0.24 3.99 -1.08 -1.26 -3.88 116.67 117.37 1xcq s ASP 171 Ca 0.35 1.50 -0.29 0.00 -0.52 0.00 0.00 52.55 53.60 1xcq s ASP 171 Cb -0.20 -2.17 -0.15 0.00 -1.46 0.00 0.00 42.92 38.94 1xcq s ASP 171 CO 0.22 -2.93 0.91 0.00 0.52 0.00 0.00 175.17 173.89 1xcq n GLN 172 N -4.07 0.95 -1.27 4.34 6.02 -1.26 -4.57 117.38 117.52 1xcq n GLN 172 Ca 0.07 0.34 -0.31 0.00 -0.01 0.00 0.00 57.00 57.08 1xcq n GLN 172 Cb 0.55 -1.64 0.09 0.00 1.02 0.00 0.00 30.24 30.26 1xcq n GLN 172 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1xcq s ASP 173 N -0.56 4.54 0.06 1.08 2.15 -1.26 -4.81 116.67 117.86 1xcq s ASP 173 Ca 0.63 1.81 0.01 0.00 0.43 0.00 0.00 52.55 55.44 1xcq s ASP 173 Cb -0.80 -2.52 -0.25 0.00 -0.30 0.00 0.00 42.92 39.05 1xcq s ASP 173 CO 0.58 -2.01 1.06 0.77 -0.17 0.00 0.00 175.17 175.39 1xcq h SER 174 N -1.11 0.24 0.00 -0.34 4.64 -1.91 -3.15 113.55 111.91 1xcq h SER 174 Ca -0.44 -0.29 -0.03 0.00 -0.47 0.00 0.00 61.79 60.57 1xcq h SER 174 Cb 1.23 -0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 63.18 1xcq h SER 174 CO 0.52 1.23 -0.42 2.29 -0.87 0.00 0.00 176.83 179.58 1xcq n LYS 175 N -3.40 1.03 0.00 4.77 2.85 -1.26 -3.20 118.16 118.95 1xcq n LYS 175 Ca -0.09 -2.57 0.00 0.00 -1.05 0.00 0.00 58.31 54.60 1xcq n LYS 175 Cb 1.01 -1.18 0.00 0.00 -0.65 0.00 0.00 35.03 34.20 1xcq n LYS 175 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1xcq n ASP 176 N -0.82 0.00 -3.83 -5.58 2.03 -1.25 -5.00 116.55 102.09 1xcq n ASP 176 Ca 0.14 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.13 1xcq n ASP 176 Cb 0.75 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 41.16 1xcq n ASP 176 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1xcq n SER 177 N 0.00 -4.87 -3.49 1.67 7.64 -1.19 -4.74 113.62 108.64 1xcq n SER 177 Ca 0.00 -1.03 -0.28 0.00 1.01 0.00 0.00 58.87 58.57 1xcq n SER 177 Cb 0.00 -2.11 -0.12 0.00 -1.01 0.00 0.00 64.21 60.98 1xcq n SER 177 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1xcq s THR 178 N -3.23 0.49 0.94 0.44 -4.23 -1.26 -4.67 115.64 104.12 1xcq s THR 178 Ca 0.22 -2.21 -0.22 0.00 -1.18 0.00 0.00 61.69 58.31 1xcq s THR 178 Cb -0.11 -1.35 -0.10 0.00 1.34 0.00 0.00 72.50 72.27 1xcq s THR 178 CO 0.91 -1.05 -1.00 -1.22 -0.54 0.00 0.00 174.62 171.72 1xcq n TYR 179 N 3.54 -1.36 -3.53 3.99 4.02 -1.05 -3.50 117.16 119.27 1xcq n TYR 179 Ca 0.17 0.56 -0.09 0.00 -0.01 0.00 0.00 57.90 58.53 1xcq n TYR 179 Cb 0.40 -1.41 -0.02 0.00 -0.02 0.00 0.00 39.34 38.29 1xcq n TYR 179 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1xcq s SER 180 N -1.17 -0.41 0.06 7.72 0.01 -1.25 -2.06 113.70 116.60 1xcq s SER 180 Ca 0.33 -0.09 0.03 0.00 1.31 0.00 0.00 55.95 57.53 1xcq s SER 180 Cb 0.05 0.50 -0.03 0.00 0.21 0.00 0.00 66.02 66.75 1xcq s SER 180 CO 0.54 -0.83 -0.09 -0.32 0.41 0.00 0.00 173.24 172.95 1xcq s MET 181 N -3.43 0.67 -0.42 12.44 0.00 -0.45 -0.63 119.30 127.48 1xcq s MET 181 Ca 0.05 -0.94 0.07 0.00 0.00 0.00 0.00 55.69 54.86 1xcq s MET 181 Cb -0.01 -0.39 0.22 0.00 0.00 0.00 0.00 34.83 34.65 1xcq s MET 181 CO -0.08 0.06 0.53 -1.13 0.00 0.00 0.00 175.02 174.40 1xcq n SER 182 N 1.04 -0.62 -4.82 1.11 3.41 -0.58 -0.90 113.62 112.26 1xcq n SER 182 Ca -0.20 -2.69 -0.32 0.00 -0.26 0.00 0.00 58.87 55.41 1xcq n SER 182 Cb 0.56 -0.17 0.01 0.00 -0.26 0.00 0.00 64.21 64.36 1xcq n SER 182 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1xcq s SER 183 N -0.75 5.86 -0.04 4.04 0.15 -1.16 -3.30 113.70 118.50 1xcq s SER 183 Ca 0.34 1.72 -0.01 0.00 0.70 0.00 0.00 55.95 58.69 1xcq s SER 183 Cb 0.13 -2.52 0.03 0.00 -1.71 0.00 0.00 66.02 61.95 1xcq s SER 183 CO -0.15 -1.11 0.03 -0.89 1.20 0.00 0.00 173.24 172.32 1xcq s THR 184 N -2.63 0.05 -0.02 6.45 2.01 0.44 -2.60 115.64 119.34 1xcq s THR 184 Ca 0.61 0.28 -0.30 0.00 0.31 0.00 0.00 61.69 62.59 1xcq s THR 184 Cb -0.14 -0.24 -0.03 0.00 0.01 0.00 0.00 72.50 72.09 1xcq s THR 184 CO 0.40 0.18 1.10 -0.22 -0.69 0.00 0.00 174.62 175.39 1xcq s LEU 185 N 1.77 4.32 -0.18 4.42 2.96 1.52 -1.95 118.68 131.54 1xcq s LEU 185 Ca 0.00 1.76 -0.08 0.00 -0.22 0.00 0.00 54.13 55.60 1xcq s LEU 185 Cb -0.12 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1xcq s LEU 185 CO -0.03 -0.44 0.08 -0.89 -1.32 0.00 0.00 176.35 173.75 1xcq s THR 186 N 1.54 4.93 0.03 3.68 2.01 -0.15 -0.23 115.64 127.46 1xcq s THR 186 Ca 0.54 0.01 -0.18 0.00 0.31 0.00 0.00 61.69 62.37 1xcq s THR 186 Cb -0.24 -3.22 0.04 0.00 0.01 0.00 0.00 72.50 69.09 1xcq s THR 186 CO 0.25 0.47 0.42 -0.76 -0.69 0.00 0.00 174.62 174.30 1xcq s LEU 187 N 0.27 0.39 0.00 4.42 1.43 -1.22 -4.65 118.68 119.32 1xcq s LEU 187 Ca 0.05 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1xcq s LEU 187 Cb -0.12 1.74 0.00 0.00 0.03 0.00 0.00 46.19 47.84 1xcq s LEU 187 CO -0.00 -0.64 0.00 0.35 0.23 0.00 0.00 176.35 176.29 1xcq n THR 188 N 0.60 0.00 0.00 5.49 -2.24 -1.26 -2.80 114.28 114.07 1xcq n THR 188 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1xcq n THR 188 Cb 0.59 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1xcq n THR 188 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1xcq n LYS 189 N 0.00 0.00 -0.10 -0.78 3.00 -1.26 -3.32 118.16 115.71 1xcq n LYS 189 Ca 0.00 0.06 0.13 0.00 -0.00 0.00 0.00 58.31 58.50 1xcq n LYS 189 Cb 0.00 -0.51 0.52 0.00 0.00 0.00 0.00 35.03 35.03 1xcq n LYS 189 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1xcq h ASP 190 N 0.00 0.34 -0.08 3.14 5.19 -1.97 0.66 116.42 123.70 1xcq h ASP 190 Ca 0.00 0.01 -0.12 0.00 -0.62 0.00 0.00 57.03 56.30 1xcq h ASP 190 Cb 0.00 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 1xcq h ASP 190 CO 0.00 0.20 -0.33 -0.08 -3.12 0.00 0.00 179.24 175.91 1xcq h GLU 191 N 0.38 0.57 0.02 3.56 4.81 -1.92 1.55 114.58 123.54 1xcq h GLU 191 Ca 0.30 -0.25 -0.24 0.00 -0.13 0.00 0.00 59.36 59.03 1xcq h GLU 191 Cb 0.66 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 1xcq h GLU 191 CO -0.08 0.82 -1.25 -0.92 -0.73 0.00 0.00 179.01 176.85 1xcq h TYR 192 N 0.48 0.08 -0.36 0.92 3.20 -1.30 -2.28 116.97 117.71 1xcq h TYR 192 Ca 0.06 -0.06 0.04 0.00 3.14 0.00 0.00 58.73 61.91 1xcq h TYR 192 Cb 0.80 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 1xcq h TYR 192 CO 0.03 1.06 0.24 0.93 -1.64 0.00 0.00 178.16 178.78 1xcq h GLU 193 N 0.01 0.33 -2.49 1.82 4.39 0.20 -2.94 114.58 115.90 1xcq h GLU 193 Ca -0.11 -0.02 -0.35 0.00 0.34 0.00 0.00 59.36 59.21 1xcq h GLU 193 Cb 1.87 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 30.42 1xcq h GLU 193 CO 0.12 0.22 1.28 -2.13 -1.16 0.00 0.00 179.01 177.35 1xcq n ARG 194 N -4.48 2.47 -1.05 2.33 0.00 0.51 -4.70 116.66 111.74 1xcq n ARG 194 Ca 0.04 -1.38 0.00 0.00 -0.00 0.00 0.00 57.85 56.51 1xcq n ARG 194 Cb 0.18 -2.27 0.00 0.00 0.00 0.00 0.00 32.46 30.37 1xcq n ARG 194 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1xcq n HIS 195 N 3.01 -0.08 0.07 -0.14 8.25 -1.11 -4.93 115.22 120.28 1xcq n HIS 195 Ca 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.99 1xcq n HIS 195 Cb 0.59 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.70 1xcq n HIS 195 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1xcq n ASN 196 N -0.08 -1.18 -4.72 0.41 4.05 -1.26 -4.66 115.26 107.81 1xcq n ASN 196 Ca 0.00 0.27 -0.42 0.00 0.45 0.00 0.00 54.58 54.88 1xcq n ASN 196 Cb 0.00 1.42 -0.03 0.00 1.23 0.00 0.00 39.78 42.40 1xcq n ASN 196 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 1xcq s SER 197 N -1.30 6.90 -0.07 1.20 0.01 -1.25 0.37 113.70 119.55 1xcq s SER 197 Ca 0.00 2.28 -0.03 0.00 1.31 0.00 0.00 55.95 59.51 1xcq s SER 197 Cb 0.00 -2.59 0.04 0.00 0.21 0.00 0.00 66.02 63.68 1xcq s SER 197 CO 0.00 -0.58 0.12 -0.31 0.41 0.00 0.00 173.24 172.88 1xcq s TYR 198 N 0.84 -0.08 0.08 2.43 2.02 0.33 -2.11 117.35 120.86 1xcq s TYR 198 Ca 0.61 0.47 0.00 0.00 -0.37 0.00 0.00 57.07 57.78 1xcq s TYR 198 Cb -0.35 -0.34 -0.00 0.00 -0.40 0.00 0.00 41.96 40.87 1xcq s TYR 198 CO 0.32 -0.23 0.02 0.25 -1.57 0.00 0.00 175.55 174.33 1xcq n THR 199 N 5.26 0.00 -2.77 -0.71 -2.24 -0.67 0.24 114.28 113.40 1xcq n THR 199 Ca -0.05 -0.41 -0.07 0.00 -2.27 0.00 0.00 64.05 61.24 1xcq n THR 199 Cb 0.50 0.13 0.03 0.00 -2.10 0.00 0.00 70.33 68.89 1xcq n THR 199 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xcq s GLU 201 N 0.72 2.94 -0.35 0.00 2.02 -0.51 -2.91 118.70 120.60 1xcq s GLU 201 Ca 0.31 -0.17 -0.29 0.00 0.02 0.00 0.00 54.97 54.85 1xcq s GLU 201 Cb 0.14 -4.70 0.00 0.00 0.10 0.00 0.00 34.13 29.67 1xcq s GLU 201 CO -0.17 -2.65 1.39 0.00 0.02 0.00 0.00 175.26 173.85 1xcq s ALA 202 N 7.72 3.19 0.22 5.21 0.00 0.61 -2.77 121.76 135.93 1xcq s ALA 202 Ca 0.56 0.01 0.07 0.00 0.00 0.00 0.00 51.96 52.60 1xcq s ALA 202 Cb -0.07 -3.87 -0.04 0.00 0.00 0.00 0.00 23.12 19.14 1xcq s ALA 202 CO 0.08 -2.11 0.13 0.99 0.00 0.00 0.00 175.76 174.84 1xcq s THR 203 N 5.02 4.24 0.00 0.00 2.01 -1.12 -1.76 115.64 124.03 1xcq s THR 203 Ca 0.61 -1.37 0.00 0.00 0.31 0.00 0.00 61.69 61.24 1xcq s THR 203 Cb -0.16 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.12 1xcq s THR 203 CO 0.29 -0.24 0.00 1.57 -0.69 0.00 0.00 174.62 175.54 1xcq n HIS 204 N -0.74 0.00 -0.09 4.92 -0.00 -1.26 -3.73 115.22 114.32 1xcq n HIS 204 Ca -0.08 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 57.96 1xcq n HIS 204 Cb 0.57 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.36 1xcq n HIS 204 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1xcq n LYS 205 N 0.00 0.42 0.21 1.57 4.81 -1.26 -4.49 118.16 119.42 1xcq n LYS 205 Ca 0.00 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1xcq n LYS 205 Cb 0.00 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 33.75 1xcq n LYS 205 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1xcq n THR 206 N -3.19 0.00 -3.58 3.15 -2.24 -1.26 -4.32 114.28 102.83 1xcq n THR 206 Ca -0.32 0.80 -0.12 0.00 -2.27 0.00 0.00 64.05 62.13 1xcq n THR 206 Cb 0.81 -1.76 -0.06 0.00 -2.10 0.00 0.00 70.33 67.22 1xcq n THR 206 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1xcq s SER 207 N -2.59 -0.48 0.26 3.42 0.01 -1.26 -5.01 113.70 108.05 1xcq s SER 207 Ca 0.00 0.66 0.25 0.00 1.31 0.00 0.00 55.95 58.17 1xcq s SER 207 Cb 0.00 0.58 0.93 0.00 0.21 0.00 0.00 66.02 67.74 1xcq s SER 207 CO 0.00 -0.35 1.75 0.74 0.41 0.00 0.00 173.24 175.79 1xcq h THR 208 N 3.01 0.00 -3.38 1.44 2.02 -1.83 -3.37 112.91 110.80 1xcq h THR 208 Ca -0.23 -0.36 -0.70 0.00 0.77 0.00 0.00 66.41 65.89 1xcq h THR 208 Cb 1.16 1.21 -0.35 0.00 -1.74 0.00 0.00 68.15 68.43 1xcq h THR 208 CO 0.26 0.00 -0.16 -0.55 0.37 0.00 0.00 175.52 175.44 1xcq s SER 209 N -4.49 5.81 0.99 4.18 0.15 -1.26 -5.01 113.70 114.07 1xcq s SER 209 Ca 0.06 -3.51 -0.14 0.00 0.70 0.00 0.00 55.95 53.07 1xcq s SER 209 Cb 0.10 -1.90 0.05 0.00 -1.71 0.00 0.00 66.02 62.57 1xcq s SER 209 CO 0.48 -0.23 0.32 -2.65 1.20 0.00 0.00 173.24 172.37 1xcq n PRO 210 N 2.62 -0.56 -3.59 5.44 -0.02 -1.26 -4.98 135.00 132.64 1xcq n PRO 210 Ca 0.18 -0.13 -0.28 0.00 -2.02 0.00 0.00 63.50 61.25 1xcq n PRO 210 Cb 0.37 -1.82 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 1xcq n PRO 210 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1xcq s ILE 211 N -2.36 5.15 0.09 4.25 1.10 -0.73 -4.85 121.20 123.85 1xcq s ILE 211 Ca 0.57 -0.22 0.05 0.00 -0.51 0.00 0.00 60.65 60.54 1xcq s ILE 211 Cb -0.19 -3.72 -0.03 0.00 0.15 0.00 0.00 42.46 38.66 1xcq s ILE 211 CO 0.67 -0.20 -0.14 0.68 -2.11 0.00 0.00 174.94 173.84 1xcq s VAL 212 N -1.91 1.19 -0.48 4.00 -7.23 -1.26 0.23 120.40 114.94 1xcq s VAL 212 Ca 0.40 -1.47 -0.00 0.00 -1.81 0.00 0.00 61.98 59.10 1xcq s VAL 212 Cb -0.11 -1.26 0.13 0.00 0.56 0.00 0.00 36.38 35.70 1xcq s VAL 212 CO 0.29 -0.31 0.25 -0.54 -0.31 0.00 0.00 175.10 174.48 1xcq s LYS 213 N -2.13 2.04 0.34 4.82 -0.14 -1.15 -4.88 119.74 118.65 1xcq s LYS 213 Ca 0.02 -2.19 -0.08 0.00 -1.36 0.00 0.00 55.97 52.36 1xcq s LYS 213 Cb -0.08 -3.49 -0.06 0.00 -1.68 0.00 0.00 37.83 32.52 1xcq s LYS 213 CO 0.02 -1.08 0.66 -1.12 -0.76 0.00 0.00 175.35 173.08 1xcq s SER 214 N 0.90 6.49 -0.25 2.83 0.01 -1.25 -1.47 113.70 120.96 1xcq s SER 214 Ca 0.13 0.94 -0.17 0.00 1.31 0.00 0.00 55.95 58.16 1xcq s SER 214 Cb -0.22 -2.24 0.07 0.00 0.21 0.00 0.00 66.02 63.84 1xcq s SER 214 CO -0.04 -0.29 0.63 0.12 0.41 0.00 0.00 173.24 174.07 1xcq s PHE 215 N -2.21 -0.89 -0.14 2.43 5.36 0.66 -4.93 117.98 118.26 1xcq s PHE 215 Ca 0.48 1.89 -0.00 0.00 -0.96 0.00 0.00 56.93 58.33 1xcq s PHE 215 Cb -0.10 0.46 -0.01 0.00 -0.34 0.00 0.00 43.02 43.02 1xcq s PHE 215 CO 0.30 -0.44 -0.13 -0.80 -1.46 0.00 0.00 175.22 172.69 1xcq s ASN 216 N 1.21 3.96 0.06 6.13 -0.87 -1.24 0.12 114.94 124.31 1xcq s ASN 216 Ca -0.07 -0.36 -0.02 0.00 -1.57 0.00 0.00 52.86 50.84 1xcq s ASN 216 Cb -0.05 -1.61 0.10 0.00 -0.02 0.00 0.00 41.25 39.66 1xcq s ASN 216 CO -0.13 0.14 0.34 -1.14 -2.57 0.00 0.00 177.10 173.74 1xcq n ARG 217 N 3.70 -0.02 0.00 -0.60 0.00 0.16 -3.00 116.66 116.90 1xcq n ARG 217 Ca -0.18 0.34 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 1xcq n ARG 217 Cb 0.52 -0.50 0.00 0.00 0.00 0.00 0.00 32.46 32.48 1xcq n ARG 217 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1xcq n ASN 218 N -4.35 0.00 0.00 6.15 0.23 -1.26 -5.09 115.26 110.94 1xcq n ASN 218 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.08 1xcq n ASN 218 Cb 0.11 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 1xcq n ASN 218 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71