#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r2e s ILE 2 N 0.00 3.68 -0.22 5.18 1.01 -1.26 -4.96 121.20 124.63 2r2e s ILE 2 Ca 0.00 -0.39 -0.15 0.00 0.00 0.00 0.00 60.65 60.11 2r2e s ILE 2 Cb 0.00 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 2r2e s ILE 2 CO 0.00 0.39 0.35 -0.69 0.00 0.00 0.00 174.94 174.99 2r2e s VAL 3 N 1.52 5.22 -0.11 2.92 1.01 -1.26 -4.91 120.40 124.80 2r2e s VAL 3 Ca 0.06 0.58 -0.03 0.00 0.00 0.00 0.00 61.98 62.59 2r2e s VAL 3 Cb -0.15 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 2r2e s VAL 3 CO -0.01 0.24 0.02 -0.04 0.00 0.00 0.00 175.10 175.31 2r2e s MET 4 N 1.45 3.20 -0.06 2.72 -1.94 -1.26 -1.60 119.30 121.82 2r2e s MET 4 Ca 0.16 -0.38 -0.10 0.00 -1.71 0.00 0.00 55.69 53.66 2r2e s MET 4 Cb -0.15 -2.89 0.02 0.00 2.01 0.00 0.00 34.83 33.82 2r2e s MET 4 CO 0.08 0.62 0.24 -1.54 -0.01 0.00 0.00 175.02 174.41 2r2e s SER 5 N -0.64 -0.19 0.12 3.03 1.04 -0.91 -4.33 113.70 111.82 2r2e s SER 5 Ca 0.11 0.26 0.09 0.00 0.48 0.00 0.00 55.95 56.89 2r2e s SER 5 Cb -0.12 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 2r2e s SER 5 CO 0.02 -0.23 -0.22 -1.10 0.98 0.00 0.00 173.24 172.69 2r2e s GLN 6 N -0.53 1.21 0.00 4.02 -0.21 -1.26 -0.23 119.66 122.66 2r2e s GLN 6 Ca -0.06 -1.25 0.01 0.00 0.02 0.00 0.00 55.36 54.07 2r2e s GLN 6 Cb -0.04 -1.48 -0.00 0.00 1.00 0.00 0.00 33.01 32.49 2r2e s GLN 6 CO 0.02 0.34 -0.02 -1.12 -2.12 0.00 0.00 175.29 172.38 2r2e s SER 7 N -2.10 0.26 1.06 5.90 0.01 -0.71 -4.47 113.70 113.65 2r2e s SER 7 Ca 0.10 -0.08 -0.18 0.00 1.31 0.00 0.00 55.95 57.11 2r2e s SER 7 Cb -0.09 -0.02 0.24 0.00 0.21 0.00 0.00 66.02 66.36 2r2e s SER 7 CO 0.05 0.00 1.26 -2.16 0.41 0.00 0.00 173.24 172.81 2r2e s PRO 8 N -0.16 -0.10 0.10 12.44 0.04 -1.26 0.39 135.00 146.44 2r2e s PRO 8 Ca -0.00 -0.35 -0.17 0.00 0.04 0.00 0.00 61.00 60.52 2r2e s PRO 8 Cb -0.02 -1.75 -0.06 0.00 0.04 0.00 0.00 34.50 32.71 2r2e s PRO 8 CO -0.00 -2.92 1.56 0.77 0.04 0.00 0.00 177.00 176.45 2r2e h SER 9 N -2.01 0.49 -5.04 6.66 0.02 -1.82 -3.39 113.55 108.46 2r2e h SER 9 Ca -0.44 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 60.18 2r2e h SER 9 Cb 1.25 -0.13 -0.15 0.00 0.14 0.00 0.00 62.40 63.51 2r2e h SER 9 CO 0.34 0.65 -0.00 -0.94 -1.14 0.00 0.00 176.83 175.74 2r2e s SER 10 N -5.96 -0.36 0.21 3.07 1.04 -1.26 -0.89 113.70 109.56 2r2e s SER 10 Ca -0.13 -0.04 -0.22 0.00 0.48 0.00 0.00 55.95 56.04 2r2e s SER 10 Cb 0.08 0.49 0.05 0.00 0.10 0.00 0.00 66.02 66.74 2r2e s SER 10 CO 0.75 -0.78 0.64 -1.48 0.98 0.00 0.00 173.24 173.35 2r2e s LEU 11 N -2.33 -0.40 -0.05 2.42 2.34 -0.50 -4.96 118.68 115.20 2r2e s LEU 11 Ca -0.02 -0.28 0.02 0.00 0.06 0.00 0.00 54.13 53.92 2r2e s LEU 11 Cb 0.00 2.62 0.01 0.00 -0.56 0.00 0.00 46.19 48.26 2r2e s LEU 11 CO -0.06 -1.12 -0.11 0.00 -1.06 0.00 0.00 176.35 173.99 2r2e s ALA 12 N -3.83 1.14 -0.02 1.48 0.00 -1.26 0.50 121.76 119.78 2r2e s ALA 12 Ca 0.06 -0.37 0.03 0.00 0.00 0.00 0.00 51.96 51.68 2r2e s ALA 12 Cb -0.03 -0.50 -0.00 0.00 0.00 0.00 0.00 23.12 22.58 2r2e s ALA 12 CO -0.04 0.11 -0.12 0.08 0.00 0.00 0.00 175.76 175.79 2r2e s VAL 13 N 0.58 0.99 0.67 0.00 1.01 -0.99 -4.77 120.40 117.89 2r2e s VAL 13 Ca -0.12 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.20 2r2e s VAL 13 Cb -0.14 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.40 2r2e s VAL 13 CO 0.03 0.29 1.14 -0.44 0.00 0.00 0.00 175.10 176.11 2r2e s SER 14 N -0.09 4.91 0.32 3.32 0.01 -1.26 -0.93 113.70 119.98 2r2e s SER 14 Ca 0.01 2.11 -0.29 0.00 1.31 0.00 0.00 55.95 59.10 2r2e s SER 14 Cb -0.07 -2.56 -0.12 0.00 0.21 0.00 0.00 66.02 63.47 2r2e s SER 14 CO 0.00 -1.77 1.34 0.00 0.41 0.00 0.00 173.24 173.22 2r2e n ALA 15 N -2.40 1.38 -0.24 1.44 0.00 -1.25 -2.27 120.51 117.16 2r2e n ALA 15 Ca 0.11 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2r2e n ALA 15 Cb 0.51 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.69 2r2e n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r2e n GLY 16 N 1.09 1.58 3.97 0.00 0.00 0.16 -4.87 105.19 107.12 2r2e n GLY 16 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 2r2e n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2r2e s GLU 17 N -0.34 1.72 -0.12 1.61 0.41 -0.96 -4.03 118.70 116.99 2r2e s GLU 17 Ca 0.00 -0.84 -0.07 0.00 -0.41 0.00 0.00 54.97 53.66 2r2e s GLU 17 Cb 0.00 -2.26 -0.04 0.00 -1.78 0.00 0.00 34.13 30.05 2r2e s GLU 17 CO 0.00 -1.46 0.12 0.21 -0.49 0.00 0.00 175.26 173.65 2r2e s LYS 18 N -5.22 3.41 -0.04 1.61 2.20 -1.26 -1.22 119.74 119.23 2r2e s LYS 18 Ca 0.65 -0.16 0.05 0.00 -0.36 0.00 0.00 55.97 56.15 2r2e s LYS 18 Cb -0.07 -3.15 -0.02 0.00 -1.51 0.00 0.00 37.83 33.08 2r2e s LYS 18 CO 0.45 0.76 -0.19 0.08 -0.36 0.00 0.00 175.35 176.08 2r2e s VAL 19 N -0.97 2.63 -0.01 4.02 1.01 0.11 -4.98 120.40 122.21 2r2e s VAL 19 Ca 0.15 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.26 2r2e s VAL 19 Cb -0.12 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 2r2e s VAL 19 CO 0.04 0.59 -0.08 0.42 0.00 0.00 0.00 175.10 176.06 2r2e s THR 20 N -0.67 0.63 0.05 3.92 -4.23 -1.26 -0.76 115.64 113.33 2r2e s THR 20 Ca 0.11 -0.35 -0.00 0.00 -1.18 0.00 0.00 61.69 60.27 2r2e s THR 20 Cb -0.10 -0.53 -0.03 0.00 1.34 0.00 0.00 72.50 73.17 2r2e s THR 20 CO -0.00 0.18 -0.04 0.00 -0.54 0.00 0.00 174.62 174.22 2r2e s MET 21 N -0.19 0.55 0.25 3.99 0.23 0.07 -4.83 119.30 119.37 2r2e s MET 21 Ca 0.03 -1.06 0.12 0.00 -1.03 0.00 0.00 55.69 53.75 2r2e s MET 21 Cb -0.03 0.12 -0.05 0.00 -1.53 0.00 0.00 34.83 33.34 2r2e s MET 21 CO -0.00 -0.08 -0.19 -1.12 -2.03 0.00 0.00 175.02 171.59 2r2e s SER 22 N -2.50 3.64 -0.11 -1.18 0.01 0.16 -1.30 113.70 112.42 2r2e s SER 22 Ca 0.01 -0.94 -0.05 0.00 1.31 0.00 0.00 55.95 56.28 2r2e s SER 22 Cb 0.02 -0.34 0.05 0.00 0.21 0.00 0.00 66.02 65.96 2r2e s SER 22 CO -0.07 0.06 0.24 0.00 0.41 0.00 0.00 173.24 173.89 2r2e s LYS 24 N 1.47 2.65 -0.08 0.00 2.20 0.68 -0.87 119.74 125.79 2r2e s LYS 24 Ca -0.07 -0.70 0.01 0.00 -0.36 0.00 0.00 55.97 54.84 2r2e s LYS 24 Cb -0.11 -2.58 -0.03 0.00 -1.51 0.00 0.00 37.83 33.60 2r2e s LYS 24 CO -0.08 0.60 -0.08 0.45 -0.36 0.00 0.00 175.35 175.88 2r2e s SER 25 N -1.66 4.55 0.46 1.43 0.15 0.91 -2.13 113.70 117.41 2r2e s SER 25 Ca 0.20 -0.08 0.31 0.00 0.70 0.00 0.00 55.95 57.08 2r2e s SER 25 Cb -0.11 -1.23 1.28 0.00 -1.71 0.00 0.00 66.02 64.24 2r2e s SER 25 CO 0.11 0.32 1.91 0.77 1.20 0.00 0.00 173.24 177.55 2r2e h SER 26 N 5.53 0.00 -5.03 5.45 4.64 -1.61 -3.44 113.55 119.09 2r2e h SER 26 Ca -0.45 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.76 2r2e h SER 26 Cb 1.18 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.08 2r2e h SER 26 CO 0.54 0.00 -0.33 0.00 -0.87 0.00 0.00 176.83 176.16 2r2e s GLN 27 N -3.57 0.69 0.47 4.77 -2.07 -1.26 -4.98 119.66 113.70 2r2e s GLN 27 Ca 0.02 -0.45 -0.23 0.00 -1.82 0.00 0.00 55.36 52.87 2r2e s GLN 27 Cb 0.09 0.30 -0.09 0.00 -1.09 0.00 0.00 33.01 32.22 2r2e s GLN 27 CO 0.49 -0.20 1.15 0.45 -1.32 0.00 0.00 175.29 175.86 2r2e n SER 28 N 0.90 1.88 -0.86 12.60 2.88 -1.26 -4.73 113.62 125.03 2r2e n SER 28 Ca -0.20 1.02 0.08 0.00 -1.33 0.00 0.00 58.87 58.44 2r2e n SER 28 Cb 0.58 -1.45 0.18 0.00 -0.75 0.00 0.00 64.21 62.77 2r2e n SER 28 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2r2e n LEU 29 N -0.01 3.08 -4.62 2.46 4.77 0.34 -4.94 117.00 118.08 2r2e n LEU 29 Ca 0.09 -1.70 -0.43 0.00 -0.03 0.00 0.00 56.01 53.94 2r2e n LEU 29 Cb 0.41 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 2r2e n LEU 29 CO 0.56 0.72 0.87 -0.22 -1.33 0.00 0.00 177.39 177.98 2r2e s LEU 30 N -1.11 3.94 -0.22 2.23 2.96 -1.26 -1.92 118.68 123.29 2r2e s LEU 30 Ca 0.30 0.80 -0.29 0.00 -0.22 0.00 0.00 54.13 54.72 2r2e s LEU 30 Cb 0.17 -3.41 0.01 0.00 0.50 0.00 0.00 46.19 43.46 2r2e s LEU 30 CO 0.23 -0.89 1.05 0.21 -1.32 0.00 0.00 176.35 175.63 2r2e s ASN 30 N 1.81 7.10 0.43 3.68 3.84 -0.51 -4.92 114.94 126.38 2r2e s ASN 30 Ca 0.42 1.40 0.30 0.00 0.21 0.00 0.00 52.86 55.19 2r2e s ASN 30 Cb -0.12 -2.54 1.24 0.00 -0.55 0.00 0.00 41.25 39.28 2r2e s ASN 30 CO 0.18 -0.66 1.88 0.77 -2.79 0.00 0.00 177.10 176.48 2r2e h SER 30 N 7.46 0.00 0.05 -4.21 4.64 -1.95 0.53 113.55 120.07 2r2e h SER 30 Ca -0.20 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.79 2r2e h SER 30 Cb 1.07 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.12 2r2e h SER 30 CO 0.97 0.00 -1.84 -1.14 -0.87 0.00 0.00 176.83 173.95 2r2e n ARG 30 N -2.73 0.66 -0.00 4.77 0.63 -1.26 -4.42 116.66 114.31 2r2e n ARG 30 Ca 0.01 0.37 0.11 0.00 -0.92 0.00 0.00 57.85 57.41 2r2e n ARG 30 Cb 0.27 -1.68 -0.14 0.00 0.45 0.00 0.00 32.46 31.35 2r2e n ARG 30 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2r2e n THR 30 N -3.89 0.01 -1.90 5.15 -2.24 -1.22 -5.00 114.28 105.19 2r2e n THR 30 Ca -0.36 -0.28 -0.20 0.00 -2.27 0.00 0.00 64.05 60.94 2r2e n THR 30 Cb 0.89 0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 69.49 2r2e n THR 30 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2r2e n ARG 30 N -1.93 -1.56 -4.06 -0.78 3.00 0.18 -5.01 116.66 106.51 2r2e n ARG 30 Ca -0.00 1.10 -0.31 0.00 -0.01 0.00 0.00 57.85 58.62 2r2e n ARG 30 Cb 0.46 -5.59 -0.06 0.00 0.00 0.00 0.00 32.46 27.28 2r2e n ARG 30 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2r2e s LYS 30 N -4.23 2.96 -0.29 5.56 3.01 -1.25 -4.88 119.74 120.62 2r2e s LYS 30 Ca 0.00 -0.63 -0.23 0.00 -1.01 0.00 0.00 55.97 54.11 2r2e s LYS 30 Cb 0.00 -2.78 -0.00 0.00 -1.01 0.00 0.00 37.83 34.04 2r2e s LYS 30 CO 0.00 0.59 0.75 -0.80 0.51 0.00 0.00 175.35 176.40 2r2e s ASN 31 N -2.24 6.64 -1.23 2.83 -0.87 -1.26 -1.42 114.94 117.40 2r2e s ASN 31 Ca 0.28 0.67 -0.15 0.00 -1.57 0.00 0.00 52.86 52.09 2r2e s ASN 31 Cb -0.12 -2.39 0.14 0.00 -0.02 0.00 0.00 41.25 38.85 2r2e s ASN 31 CO 0.20 -0.56 1.52 -0.31 -2.57 0.00 0.00 177.10 175.39 2r2e s TYR 32 N 2.84 3.25 -0.04 2.20 4.12 -0.81 -3.18 117.35 125.73 2r2e s TYR 32 Ca 0.31 -1.94 -0.02 0.00 0.02 0.00 0.00 57.07 55.44 2r2e s TYR 32 Cb -0.14 -4.46 0.03 0.00 -1.52 0.00 0.00 41.96 35.87 2r2e s TYR 32 CO 0.11 -1.54 0.06 -1.17 0.02 0.00 0.00 175.55 173.04 2r2e s LEU 33 N 2.48 0.30 0.22 -1.29 1.98 -1.26 -2.23 118.68 118.88 2r2e s LEU 33 Ca 0.46 0.09 0.10 0.00 -2.89 0.00 0.00 54.13 51.89 2r2e s LEU 33 Cb -0.01 -0.10 -0.04 0.00 0.66 0.00 0.00 46.19 46.70 2r2e s LEU 33 CO 0.02 -0.23 -0.09 0.00 -1.89 0.00 0.00 176.35 174.16 2r2e s ALA 34 N 1.97 2.95 -0.05 5.97 0.00 0.10 -0.02 121.76 132.69 2r2e s ALA 34 Ca 0.02 -1.60 0.05 0.00 0.00 0.00 0.00 51.96 50.43 2r2e s ALA 34 Cb -0.12 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 2r2e s ALA 34 CO -0.03 0.37 -0.22 -1.58 0.00 0.00 0.00 175.76 174.30 2r2e s TRP 35 N -2.02 2.13 0.10 0.00 0.52 -0.65 -0.18 118.94 118.85 2r2e s TRP 35 Ca 0.27 -0.63 0.09 0.00 0.02 0.00 0.00 56.10 55.85 2r2e s TRP 35 Cb -0.07 -1.41 -0.04 0.00 -1.15 0.00 0.00 33.47 30.80 2r2e s TRP 35 CO 0.16 -0.20 -0.23 0.71 0.02 0.00 0.00 176.95 177.42 2r2e s TYR 36 N -0.07 1.95 -0.17 -1.98 1.51 0.80 -0.79 117.35 118.60 2r2e s TYR 36 Ca -0.04 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.61 2r2e s TYR 36 Cb -0.13 -1.07 -0.00 0.00 -0.11 0.00 0.00 41.96 40.65 2r2e s TYR 36 CO 0.03 0.23 -0.13 -1.14 -1.11 0.00 0.00 175.55 173.43 2r2e s GLN 37 N -1.87 3.23 -0.46 -0.62 0.74 0.18 -1.27 119.66 119.60 2r2e s GLN 37 Ca 0.09 -0.73 0.04 0.00 0.05 0.00 0.00 55.36 54.81 2r2e s GLN 37 Cb -0.10 -2.72 0.12 0.00 1.10 0.00 0.00 33.01 31.42 2r2e s GLN 37 CO 0.04 -0.07 0.19 -1.14 -0.55 0.00 0.00 175.29 173.77 2r2e s GLN 38 N 1.04 1.79 0.65 1.67 0.74 -0.28 0.36 119.66 125.63 2r2e s GLN 38 Ca -0.01 -2.36 -0.17 0.00 0.05 0.00 0.00 55.36 52.87 2r2e s GLN 38 Cb -0.15 -3.26 -0.01 0.00 1.10 0.00 0.00 33.01 30.70 2r2e s GLN 38 CO -0.03 -1.05 1.21 0.15 -0.55 0.00 0.00 175.29 175.01 2r2e s LYS 39 N 0.12 2.66 0.11 1.67 1.02 -1.26 -2.03 119.74 122.02 2r2e s LYS 39 Ca 0.15 1.79 -0.35 0.00 0.02 0.00 0.00 55.97 57.58 2r2e s LYS 39 Cb -0.24 -1.89 -0.14 0.00 -0.52 0.00 0.00 37.83 35.04 2r2e s LYS 39 CO -0.03 -1.44 1.57 -2.30 -0.92 0.00 0.00 175.35 172.23 2r2e n PRO 40 N -2.05 1.94 -0.95 -1.68 -0.02 -1.26 -1.49 135.00 129.49 2r2e n PRO 40 Ca 0.13 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2r2e n PRO 40 Cb 0.50 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2r2e n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r2e n GLY 41 N 3.38 0.89 3.69 -1.23 0.00 -1.26 -5.03 105.19 105.62 2r2e n GLY 41 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 2r2e n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r2e s GLN 42 N -0.05 2.25 0.48 1.61 -0.21 -0.55 -5.12 119.66 118.06 2r2e s GLN 42 Ca 0.00 -1.63 -0.21 0.00 0.02 0.00 0.00 55.36 53.55 2r2e s GLN 42 Cb 0.00 -2.07 -0.09 0.00 1.00 0.00 0.00 33.01 31.85 2r2e s GLN 42 CO 0.00 0.13 1.04 -1.12 -2.12 0.00 0.00 175.29 173.21 2r2e s SER 43 N -3.79 6.40 0.42 5.90 0.01 -1.26 -4.75 113.70 116.63 2r2e s SER 43 Ca 0.36 1.93 -0.26 0.00 1.31 0.00 0.00 55.95 59.30 2r2e s SER 43 Cb -0.02 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.56 2r2e s SER 43 CO 0.21 -0.74 1.42 -2.84 0.41 0.00 0.00 173.24 171.70 2r2e s PRO 44 N -3.16 3.86 -0.12 12.44 0.02 -1.26 -4.68 135.00 142.10 2r2e s PRO 44 Ca 0.66 2.41 0.02 0.00 0.02 0.00 0.00 61.00 64.12 2r2e s PRO 44 Cb -0.17 -2.76 -0.00 0.00 0.02 0.00 0.00 34.50 31.59 2r2e s PRO 44 CO 0.20 -0.68 -0.20 0.21 -0.33 0.00 0.00 177.00 176.21 2r2e s LYS 45 N -2.31 3.15 0.21 5.54 2.20 0.16 -4.91 119.74 123.78 2r2e s LYS 45 Ca 0.58 -0.81 -0.32 0.00 -0.36 0.00 0.00 55.97 55.06 2r2e s LYS 45 Cb -0.43 -2.44 -0.11 0.00 -1.51 0.00 0.00 37.83 33.33 2r2e s LYS 45 CO 0.57 0.14 1.66 -1.17 -0.36 0.00 0.00 175.35 176.19 2r2e s LEU 46 N 0.46 4.37 -0.09 5.43 2.96 -1.26 0.49 118.68 131.03 2r2e s LEU 46 Ca -0.14 2.82 -0.01 0.00 -0.22 0.00 0.00 54.13 56.58 2r2e s LEU 46 Cb -0.17 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.86 2r2e s LEU 46 CO 0.06 -0.92 -0.10 0.18 -1.32 0.00 0.00 176.35 174.25 2r2e n LEU 47 N 3.64 2.21 -3.88 -0.68 4.77 0.03 -4.80 117.00 118.30 2r2e n LEU 47 Ca 0.14 0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 56.02 2r2e n LEU 47 Cb 0.36 -0.31 -0.11 0.00 -2.33 0.00 0.00 43.42 41.04 2r2e n LEU 47 CO 0.63 0.50 -0.22 -0.63 -1.33 0.00 0.00 177.39 176.34 2r2e s ILE 48 N -2.18 0.06 0.16 -0.08 -1.09 -1.10 -1.10 121.20 115.88 2r2e s ILE 48 Ca -0.13 -0.54 -0.07 0.00 -2.23 0.00 0.00 60.65 57.69 2r2e s ILE 48 Cb 0.04 -0.33 -0.02 0.00 -1.58 0.00 0.00 42.46 40.57 2r2e s ILE 48 CO 0.20 -0.29 0.23 -0.72 -1.23 0.00 0.00 174.94 173.12 2r2e s TYR 49 N -0.99 0.56 -1.61 3.97 1.13 0.45 -1.63 117.35 119.22 2r2e s TYR 49 Ca -0.11 -0.92 -0.14 0.00 -1.41 0.00 0.00 57.07 54.49 2r2e s TYR 49 Cb -0.06 -0.18 0.11 0.00 -1.10 0.00 0.00 41.96 40.73 2r2e s TYR 49 CO 0.01 -0.68 0.78 0.91 -2.51 0.00 0.00 175.55 174.06 2r2e n TRP 50 N -0.19 -1.88 0.00 -3.49 8.01 -1.13 -1.49 117.44 117.27 2r2e n TRP 50 Ca -0.06 0.82 0.00 0.00 -1.31 0.00 0.00 57.50 56.95 2r2e n TRP 50 Cb 0.63 -3.35 0.00 0.00 -2.01 0.00 0.00 31.31 26.58 2r2e n TRP 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2r2e n ALA 51 N -4.46 0.00 -0.68 6.99 0.00 0.97 -4.14 120.51 119.18 2r2e n ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2r2e n ALA 51 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2r2e n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2r2e n SER 52 N 0.69 0.00 -4.65 0.00 3.41 -1.16 -3.16 113.62 108.76 2r2e n SER 52 Ca 0.00 -0.65 -0.41 0.00 -0.26 0.00 0.00 58.87 57.55 2r2e n SER 52 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2r2e n SER 52 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2r2e s THR 53 N 0.00 4.90 0.17 6.66 2.01 -0.56 -4.62 115.64 124.21 2r2e s THR 53 Ca 0.00 1.43 -0.31 0.00 0.31 0.00 0.00 61.69 63.12 2r2e s THR 53 Cb 0.00 -4.06 -0.09 0.00 0.01 0.00 0.00 72.50 68.37 2r2e s THR 53 CO 0.00 -0.01 1.40 -0.60 -0.69 0.00 0.00 174.62 174.73 2r2e s ARG 54 N 2.50 4.32 0.22 4.92 3.52 -1.26 -0.41 118.95 132.75 2r2e s ARG 54 Ca 0.33 2.15 -0.30 0.00 -0.13 0.00 0.00 55.73 57.77 2r2e s ARG 54 Cb -0.16 -3.20 -0.10 0.00 -1.56 0.00 0.00 34.95 29.94 2r2e s ARG 54 CO 0.09 -0.41 1.49 -2.00 -0.81 0.00 0.00 175.30 173.66 2r2e s GLU 55 N 0.52 4.24 0.50 5.12 2.56 -0.26 -4.90 118.70 126.47 2r2e s GLU 55 Ca 0.62 2.34 -0.22 0.00 0.00 0.00 0.00 54.97 57.71 2r2e s GLU 55 Cb -0.39 -3.12 -0.06 0.00 2.00 0.00 0.00 34.13 32.56 2r2e s GLU 55 CO 0.35 -0.49 1.21 -1.12 -0.56 0.00 0.00 175.26 174.64 2r2e s SER 56 N 0.62 5.85 0.00 -1.70 0.01 -1.26 -1.16 113.70 116.06 2r2e s SER 56 Ca 0.63 2.40 0.00 0.00 1.31 0.00 0.00 55.95 60.29 2r2e s SER 56 Cb -0.43 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.19 2r2e s SER 56 CO 0.40 -1.14 0.00 0.61 0.41 0.00 0.00 173.24 173.52 2r2e n GLY 57 N 0.49 2.71 3.70 3.44 0.00 -1.26 -5.04 105.19 109.23 2r2e n GLY 57 Ca 0.09 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2r2e n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r2e s VAL 58 N -1.56 3.99 0.70 1.61 1.01 -0.31 -5.00 120.40 120.84 2r2e s VAL 58 Ca 0.00 1.40 -0.16 0.00 0.00 0.00 0.00 61.98 63.22 2r2e s VAL 58 Cb 0.00 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.50 2r2e s VAL 58 CO 0.00 0.07 1.19 -2.84 0.00 0.00 0.00 175.10 173.52 2r2e s PRO 59 N 1.55 2.37 0.00 2.72 0.02 -1.26 -4.87 135.00 135.53 2r2e s PRO 59 Ca 0.59 1.72 0.24 0.00 0.02 0.00 0.00 61.00 63.57 2r2e s PRO 59 Cb -0.29 -1.87 1.31 0.00 0.02 0.00 0.00 34.50 33.67 2r2e s PRO 59 CO 0.27 -1.65 1.80 -0.40 -0.33 0.00 0.00 177.00 176.69 2r2e n ASP 60 N -2.48 0.00 0.04 2.53 3.85 -1.26 -2.28 116.55 116.96 2r2e n ASP 60 Ca 0.13 -0.34 0.13 0.00 -0.71 0.00 0.00 54.79 54.00 2r2e n ASP 60 Cb 0.50 -0.17 0.51 0.00 -1.35 0.00 0.00 41.12 40.61 2r2e n ASP 60 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 2r2e n ARG 61 N -1.17 0.10 -3.49 0.11 1.85 -1.26 -4.64 116.66 108.16 2r2e n ARG 61 Ca 0.14 0.12 -0.38 0.00 -1.00 0.00 0.00 57.85 56.74 2r2e n ARG 61 Cb 0.15 -1.63 -0.09 0.00 -1.05 0.00 0.00 32.46 29.84 2r2e n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2r2e s PHE 62 N -3.06 3.29 -0.14 2.89 0.40 -0.96 -1.51 117.98 118.90 2r2e s PHE 62 Ca 0.12 0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 56.80 2r2e s PHE 62 Cb 0.15 -2.45 0.04 0.00 0.51 0.00 0.00 43.02 41.27 2r2e s PHE 62 CO 0.52 -0.08 -0.03 0.99 0.70 0.00 0.00 175.22 177.32 2r2e s THR 63 N 1.56 0.80 -0.08 0.64 2.01 -0.48 -4.96 115.64 115.14 2r2e s THR 63 Ca 0.13 -0.37 -0.12 0.00 0.31 0.00 0.00 61.69 61.63 2r2e s THR 63 Cb -0.15 -1.01 -0.05 0.00 0.01 0.00 0.00 72.50 71.30 2r2e s THR 63 CO 0.08 0.14 0.29 -0.83 -0.69 0.00 0.00 174.62 173.61 2r2e s GLY 64 N 1.77 2.31 0.26 4.40 0.00 -1.26 -1.52 107.32 113.28 2r2e s GLY 64 Ca 0.02 -0.41 -0.05 0.00 0.00 0.00 0.00 44.72 44.28 2r2e s GLY 64 CO -0.07 0.07 0.34 -1.35 0.00 0.00 0.00 173.10 172.08 2r2e s SER 65 N -0.63 0.34 0.00 1.64 1.04 -0.31 -4.19 113.70 111.59 2r2e s SER 65 Ca 0.19 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.34 2r2e s SER 65 Cb -0.14 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.51 2r2e s SER 65 CO 0.08 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.85 2r2e n GLY 66 N -0.40 1.58 3.56 7.32 0.00 -1.26 -1.04 105.19 114.94 2r2e n GLY 66 Ca 0.01 -2.22 -0.09 0.00 0.00 0.00 0.00 46.02 43.72 2r2e n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2r2e s SER 67 N 0.00 -0.34 0.12 1.61 0.15 -0.90 -4.96 113.70 109.38 2r2e s SER 67 Ca 0.00 0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.91 2r2e s SER 67 Cb 0.00 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 2r2e s SER 67 CO 0.00 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.66 2r2e n GLY 68 N 0.41 1.87 0.00 9.45 0.00 -1.26 -3.22 105.19 112.43 2r2e n GLY 68 Ca -0.09 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2r2e n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2r2e n THR 69 N 0.00 0.31 -3.66 2.61 -2.24 -1.26 -0.51 114.28 109.53 2r2e n THR 69 Ca 0.00 -0.57 -0.18 0.00 -2.27 0.00 0.00 64.05 61.03 2r2e n THR 69 Cb 0.00 0.95 -0.16 0.00 -2.10 0.00 0.00 70.33 69.02 2r2e n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2r2e s ASP 70 N -0.31 0.92 0.10 3.42 1.01 -1.20 -0.07 116.67 120.55 2r2e s ASP 70 Ca 0.00 0.22 0.03 0.00 0.71 0.00 0.00 52.55 53.51 2r2e s ASP 70 Cb 0.00 0.17 -0.04 0.00 1.01 0.00 0.00 42.92 44.06 2r2e s ASP 70 CO 0.00 -0.25 -0.08 -0.36 0.21 0.00 0.00 175.17 174.68 2r2e s PHE 71 N 2.26 0.97 -0.02 4.23 0.40 -0.05 -2.11 117.98 123.67 2r2e s PHE 71 Ca 0.04 -0.76 0.00 0.00 -0.60 0.00 0.00 56.93 55.61 2r2e s PHE 71 Cb -0.12 -0.54 0.02 0.00 0.51 0.00 0.00 43.02 42.88 2r2e s PHE 71 CO -0.06 -0.06 0.00 0.99 0.70 0.00 0.00 175.22 176.80 2r2e s THR 72 N -2.91 0.11 -0.20 0.64 2.01 -0.21 -1.02 115.64 114.06 2r2e s THR 72 Ca 0.08 0.07 -0.04 0.00 0.31 0.00 0.00 61.69 62.11 2r2e s THR 72 Cb 0.00 -0.18 -0.02 0.00 0.01 0.00 0.00 72.50 72.32 2r2e s THR 72 CO -0.02 0.10 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.75 2r2e s LEU 73 N 0.72 3.01 -0.15 4.42 2.96 -0.42 -1.16 118.68 128.06 2r2e s LEU 73 Ca -0.07 -0.31 -0.00 0.00 -0.22 0.00 0.00 54.13 53.53 2r2e s LEU 73 Cb -0.10 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 2r2e s LEU 73 CO -0.02 0.04 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.03 2r2e s THR 74 N 1.11 2.89 -0.20 3.68 2.01 -0.57 -0.75 115.64 123.82 2r2e s THR 74 Ca 0.02 -0.70 -0.04 0.00 0.31 0.00 0.00 61.69 61.28 2r2e s THR 74 Cb -0.15 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.12 2r2e s THR 74 CO -0.00 0.51 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.77 2r2e s ILE 75 N 0.67 3.57 0.24 1.82 1.01 0.07 -1.38 121.20 127.20 2r2e s ILE 75 Ca -0.07 -0.44 0.07 0.00 0.00 0.00 0.00 60.65 60.21 2r2e s ILE 75 Cb -0.15 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 2r2e s ILE 75 CO 0.02 0.44 0.18 0.42 0.00 0.00 0.00 174.94 176.01 2r2e s THR 76 N 1.08 4.44 -0.46 2.92 -4.23 -0.57 0.10 115.64 118.92 2r2e s THR 76 Ca 0.01 -1.36 -0.09 0.00 -1.18 0.00 0.00 61.69 59.07 2r2e s THR 76 Cb -0.15 -3.38 0.01 0.00 1.34 0.00 0.00 72.50 70.33 2r2e s THR 76 CO 0.00 -0.31 0.28 -1.54 -0.54 0.00 0.00 174.62 172.51 2r2e n SER 77 N -1.04 -1.93 -4.67 3.99 3.41 -1.14 -4.77 113.62 107.47 2r2e n SER 77 Ca -0.08 -0.51 -0.45 0.00 -0.26 0.00 0.00 58.87 57.57 2r2e n SER 77 Cb 0.57 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 63.80 2r2e n SER 77 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2r2e n VAL 78 N -2.17 0.92 -3.97 -3.33 0.31 -0.35 -4.39 118.33 105.33 2r2e n VAL 78 Ca -0.09 -0.23 -0.21 0.00 -0.01 0.00 0.00 64.34 63.80 2r2e n VAL 78 Cb 0.27 -1.48 -0.02 0.00 -0.91 0.00 0.00 33.84 31.70 2r2e n VAL 78 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2r2e s GLN 79 N -0.37 3.32 0.35 5.55 -0.21 -1.26 0.36 119.66 127.40 2r2e s GLN 79 Ca 0.68 -0.84 0.08 0.00 0.02 0.00 0.00 55.36 55.31 2r2e s GLN 79 Cb -0.65 -2.82 0.80 0.00 1.00 0.00 0.00 33.01 31.34 2r2e s GLN 79 CO 0.49 0.40 1.86 0.00 -2.12 0.00 0.00 175.29 175.93 2r2e h ALA 80 N 1.22 1.80 0.00 6.09 0.00 -1.91 -2.04 119.26 124.42 2r2e h ALA 80 Ca -0.51 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2r2e h ALA 80 Cb 1.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2r2e h ALA 80 CO 0.61 -0.05 0.00 -0.85 0.00 0.00 0.00 179.25 178.96 2r2e n GLU 81 N -4.57 0.07 -0.01 0.00 0.28 -0.94 -2.95 120.64 112.51 2r2e n GLU 81 Ca 0.18 0.18 0.12 0.00 -0.16 0.00 0.00 57.16 57.48 2r2e n GLU 81 Cb 0.46 -1.50 0.64 0.00 1.43 0.00 0.00 31.44 32.47 2r2e n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2r2e n ASP 82 N -1.44 0.40 -4.63 -1.84 8.00 -0.77 -4.80 116.55 111.47 2r2e n ASP 82 Ca 0.05 -1.35 -0.46 0.00 0.71 0.00 0.00 54.79 53.74 2r2e n ASP 82 Cb 0.19 -0.02 -0.04 0.00 -0.02 0.00 0.00 41.12 41.23 2r2e n ASP 82 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2r2e n LEU 83 N -0.59 3.37 -3.62 0.64 7.94 -1.15 -4.90 117.00 118.68 2r2e n LEU 83 Ca 0.18 0.71 0.01 0.00 -1.11 0.00 0.00 56.01 55.80 2r2e n LEU 83 Cb 0.15 -1.43 -0.01 0.00 0.53 0.00 0.00 43.42 42.66 2r2e n LEU 83 CO 0.14 -0.24 1.05 0.00 -1.11 0.00 0.00 177.39 177.23 2r2e s ALA 84 N 5.54 -2.21 -0.16 1.96 0.00 -1.24 -4.46 121.76 121.20 2r2e s ALA 84 Ca 0.96 0.78 -0.17 0.00 0.00 0.00 0.00 51.96 53.53 2r2e s ALA 84 Cb -0.59 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 2r2e s ALA 84 CO 0.46 -1.01 0.43 0.08 0.00 0.00 0.00 175.76 175.72 2r2e s VAL 85 N -2.44 5.21 -0.18 0.00 1.01 -0.86 -1.46 120.40 121.67 2r2e s VAL 85 Ca 0.14 0.81 -0.09 0.00 0.00 0.00 0.00 61.98 62.84 2r2e s VAL 85 Cb 0.04 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 2r2e s VAL 85 CO -0.04 0.30 0.10 -0.31 0.00 0.00 0.00 175.10 175.16 2r2e s TYR 86 N 0.88 3.37 -0.05 5.22 2.02 0.65 -1.12 117.35 128.31 2r2e s TYR 86 Ca 0.22 0.26 0.05 0.00 -0.37 0.00 0.00 57.07 57.23 2r2e s TYR 86 Cb -0.15 -2.10 -0.01 0.00 -0.40 0.00 0.00 41.96 39.31 2r2e s TYR 86 CO 0.08 0.30 -0.20 0.71 -1.57 0.00 0.00 175.55 174.87 2r2e s TYR 87 N 0.17 2.01 0.19 2.71 1.51 -0.39 -0.18 117.35 123.37 2r2e s TYR 87 Ca 0.07 -0.59 0.01 0.00 -1.01 0.00 0.00 57.07 55.55 2r2e s TYR 87 Cb -0.12 -1.33 -0.04 0.00 -0.11 0.00 0.00 41.96 40.36 2r2e s TYR 87 CO -0.01 -0.19 0.36 0.00 -1.11 0.00 0.00 175.55 174.60 2r2e s LYS 89 N -3.37 0.32 0.02 0.00 2.20 0.74 -0.54 119.74 119.12 2r2e s LYS 89 Ca 0.37 0.76 -0.13 0.00 -0.36 0.00 0.00 55.97 56.60 2r2e s LYS 89 Cb -0.11 0.00 -0.06 0.00 -1.51 0.00 0.00 37.83 36.16 2r2e s LYS 89 CO 0.29 -0.19 0.41 1.14 -0.36 0.00 0.00 175.35 176.65 2r2e s GLN 90 N 1.64 3.88 -0.11 4.03 1.03 -0.41 0.03 119.66 129.75 2r2e s GLN 90 Ca -0.07 0.36 0.16 0.00 0.04 0.00 0.00 55.36 55.84 2r2e s GLN 90 Cb -0.10 -3.15 0.37 0.00 0.03 0.00 0.00 33.01 30.16 2r2e s GLN 90 CO -0.11 0.65 1.18 -1.13 -2.54 0.00 0.00 175.29 173.34 2r2e n SER 91 N 1.56 1.39 0.09 12.60 3.41 -0.95 -1.96 113.62 129.77 2r2e n SER 91 Ca -0.12 -3.00 -0.16 0.00 -0.26 0.00 0.00 58.87 55.33 2r2e n SER 91 Cb 0.52 -0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 63.96 2r2e n SER 91 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 2r2e h TYR 92 N 0.80 0.65 -2.62 7.33 3.20 -1.90 -3.42 116.97 121.01 2r2e h TYR 92 Ca -0.08 -0.41 -0.46 0.00 3.14 0.00 0.00 58.73 60.93 2r2e h TYR 92 Cb 1.34 -0.05 -0.38 0.00 1.54 0.00 0.00 36.73 39.18 2r2e h TYR 92 CO 0.42 1.27 -0.73 1.21 -1.64 0.00 0.00 178.16 178.69 2r2e s ASN 93 N -7.18 2.79 1.41 -2.11 3.04 -1.26 -5.07 114.94 106.56 2r2e s ASN 93 Ca -0.06 -1.02 0.00 0.00 0.04 0.00 0.00 52.86 51.82 2r2e s ASN 93 Cb 0.07 -0.06 0.00 0.00 -1.54 0.00 0.00 41.25 39.72 2r2e s ASN 93 CO 0.89 -0.41 0.00 0.18 -3.04 0.00 0.00 177.10 174.72 2r2e n LEU 94 N 5.27 0.00 -3.86 3.21 4.77 -1.26 -4.78 117.00 120.36 2r2e n LEU 94 Ca -0.05 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.81 2r2e n LEU 94 Cb 0.44 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.42 2r2e n LEU 94 CO 0.04 0.00 -0.21 -0.13 -1.33 0.00 0.00 177.39 175.76 2r2e s ARG 95 N 0.00 0.31 -0.13 3.23 3.00 -1.26 -4.09 118.95 120.02 2r2e s ARG 95 Ca 0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 55.73 55.53 2r2e s ARG 95 Cb 0.00 0.13 0.04 0.00 0.00 0.00 0.00 34.95 35.13 2r2e s ARG 95 CO 0.00 -0.06 0.31 0.99 0.00 0.00 0.00 175.30 176.54 2r2e s THR 96 N -0.66 -0.02 0.10 0.02 2.01 -0.83 -4.98 115.64 111.27 2r2e s THR 96 Ca -0.07 0.09 -0.07 0.00 0.31 0.00 0.00 61.69 61.94 2r2e s THR 96 Cb -0.05 -0.46 -0.06 0.00 0.01 0.00 0.00 72.50 71.95 2r2e s THR 96 CO 0.01 0.04 0.38 -0.36 -0.69 0.00 0.00 174.62 173.99 2r2e s PHE 97 N 0.97 3.53 0.98 4.92 0.08 -1.26 -1.29 117.98 125.91 2r2e s PHE 97 Ca -0.07 0.67 -0.16 0.00 0.12 0.00 0.00 56.93 57.50 2r2e s PHE 97 Cb -0.07 -2.08 0.20 0.00 -0.57 0.00 0.00 43.02 40.49 2r2e s PHE 97 CO -0.07 0.49 1.27 0.20 -0.10 0.00 0.00 175.22 177.01 2r2e s GLY 98 N -2.03 1.72 0.49 4.36 0.00 0.30 -4.60 107.32 107.56 2r2e s GLY 98 Ca 0.36 -1.07 0.29 0.00 0.00 0.00 0.00 44.72 44.30 2r2e s GLY 98 CO 0.20 -0.33 1.82 -1.33 0.00 0.00 0.00 173.10 173.47 2r2e h GLY 99 N -1.70 0.00 0.00 0.20 0.00 -1.90 -3.44 103.07 96.23 2r2e h GLY 99 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2r2e h GLY 99 CO 0.42 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.57 2r2e n GLY 100 N 0.48 2.28 3.23 4.60 0.00 -1.26 -5.03 105.19 109.49 2r2e n GLY 100 Ca 0.02 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 2r2e n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2r2e s THR 101 N -1.51 3.00 -0.20 2.61 2.01 0.75 -4.64 115.64 117.66 2r2e s THR 101 Ca 0.00 -0.83 -0.24 0.00 0.31 0.00 0.00 61.69 60.93 2r2e s THR 101 Cb 0.00 -2.45 -0.01 0.00 0.01 0.00 0.00 72.50 70.05 2r2e s THR 101 CO 0.00 0.30 0.80 -0.75 -0.69 0.00 0.00 174.62 174.28 2r2e s LYS 102 N 1.38 4.25 -0.34 4.92 2.20 -0.06 -0.26 119.74 131.82 2r2e s LYS 102 Ca 0.03 0.93 -0.09 0.00 -0.36 0.00 0.00 55.97 56.48 2r2e s LYS 102 Cb -0.15 -3.60 0.02 0.00 -1.51 0.00 0.00 37.83 32.59 2r2e s LYS 102 CO -0.05 -0.37 0.15 -1.17 -0.36 0.00 0.00 175.35 173.56 2r2e s LEU 103 N 2.32 4.40 0.41 5.43 2.96 -0.54 -1.41 118.68 132.26 2r2e s LEU 103 Ca 0.36 -0.92 -0.12 0.00 -0.22 0.00 0.00 54.13 53.22 2r2e s LEU 103 Cb -0.16 -1.96 -0.07 0.00 0.50 0.00 0.00 46.19 44.50 2r2e s LEU 103 CO 0.11 -0.31 0.80 -0.70 -1.32 0.00 0.00 176.35 174.92 2r2e s GLU 104 N 1.52 3.84 -0.21 1.98 2.12 0.18 -3.63 118.70 124.49 2r2e s GLU 104 Ca 0.02 0.57 -0.07 0.00 0.36 0.00 0.00 54.97 55.85 2r2e s GLU 104 Cb -0.19 -2.36 -0.04 0.00 0.26 0.00 0.00 34.13 31.81 2r2e s GLU 104 CO 0.05 -0.05 0.06 0.42 -0.54 0.00 0.00 175.26 175.21 2r2e s ILE 105 N -2.36 4.54 0.31 -3.70 -1.09 -1.26 -2.36 121.20 115.28 2r2e s ILE 105 Ca 0.53 -0.11 -0.25 0.00 -2.23 0.00 0.00 60.65 58.59 2r2e s ILE 105 Cb -0.10 -3.08 -0.10 0.00 -1.58 0.00 0.00 42.46 37.60 2r2e s ILE 105 CO 0.29 0.40 0.91 -0.75 -1.23 0.00 0.00 174.94 174.56 2r2e s LYS 106 N 0.95 4.52 0.37 2.79 2.20 -0.10 -4.84 119.74 125.61 2r2e s LYS 106 Ca 0.04 1.24 -0.08 0.00 -0.36 0.00 0.00 55.97 56.81 2r2e s LYS 106 Cb -0.14 -2.80 0.03 0.00 -1.51 0.00 0.00 37.83 33.41 2r2e s LYS 106 CO 0.03 0.29 0.62 -0.98 -0.36 0.00 0.00 175.35 174.95 2r2e s ARG 107 N -2.07 2.08 0.34 4.03 1.70 -1.26 -3.95 118.95 119.81 2r2e s ARG 107 Ca 0.49 -1.63 -0.27 0.00 -0.47 0.00 0.00 55.73 53.85 2r2e s ARG 107 Cb -0.18 0.53 -0.09 0.00 -0.57 0.00 0.00 34.95 34.64 2r2e s ARG 107 CO 0.23 -0.92 1.06 0.00 -1.08 0.00 0.00 175.30 174.60 2r2e s ALA 108 N -2.68 3.24 0.21 7.88 0.00 -1.26 -4.97 121.76 124.18 2r2e s ALA 108 Ca 0.24 0.78 -0.32 0.00 0.00 0.00 0.00 51.96 52.66 2r2e s ALA 108 Cb -0.03 -3.29 -0.15 0.00 0.00 0.00 0.00 23.12 19.66 2r2e s ALA 108 CO 0.17 -0.16 1.23 -0.25 0.00 0.00 0.00 175.76 176.75 2r2e n ASP 109 N 0.57 1.83 -4.07 0.00 9.92 -1.26 -4.74 116.55 118.81 2r2e n ASP 109 Ca 0.02 1.15 -0.18 0.00 -0.53 0.00 0.00 54.79 55.24 2r2e n ASP 109 Cb 0.47 -1.30 -0.14 0.00 -0.64 0.00 0.00 41.12 39.52 2r2e n ASP 109 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2r2e s ALA 110 N -0.23 0.86 0.19 2.24 0.00 0.12 -4.90 121.76 120.05 2r2e s ALA 110 Ca 0.70 -0.57 -0.23 0.00 0.00 0.00 0.00 51.96 51.86 2r2e s ALA 110 Cb -0.77 -0.16 -0.08 0.00 0.00 0.00 0.00 23.12 22.11 2r2e s ALA 110 CO 0.52 0.17 0.75 0.00 0.00 0.00 0.00 175.76 177.20 2r2e s ALA 111 N -0.56 3.44 0.44 0.00 0.00 -1.26 -2.15 121.76 121.67 2r2e s ALA 111 Ca 0.01 0.27 -0.22 0.00 0.00 0.00 0.00 51.96 52.02 2r2e s ALA 111 Cb -0.06 -2.89 -0.09 0.00 0.00 0.00 0.00 23.12 20.08 2r2e s ALA 111 CO 0.00 0.31 1.04 -1.25 0.00 0.00 0.00 175.76 175.86 2r2e s PRO 112 N -1.47 4.00 -0.30 0.00 0.04 -1.26 -4.53 135.00 131.48 2r2e s PRO 112 Ca 0.38 1.44 -0.23 0.00 0.04 0.00 0.00 61.00 62.63 2r2e s PRO 112 Cb -0.20 -2.33 -0.00 0.00 0.04 0.00 0.00 34.50 32.00 2r2e s PRO 112 CO 0.24 -0.27 0.76 0.99 0.04 0.00 0.00 177.00 178.76 2r2e s THR 113 N -1.81 4.82 -0.13 1.26 2.01 0.05 -4.84 115.64 117.00 2r2e s THR 113 Ca 0.62 1.14 -0.06 0.00 0.31 0.00 0.00 61.69 63.70 2r2e s THR 113 Cb -0.19 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 2r2e s THR 113 CO 0.24 -0.22 0.08 -0.69 -0.69 0.00 0.00 174.62 173.33 2r2e s VAL 114 N 2.89 4.95 -0.08 3.82 1.01 -1.26 -0.65 120.40 131.08 2r2e s VAL 114 Ca 0.31 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.24 2r2e s VAL 114 Cb -0.14 -3.15 0.03 0.00 0.00 0.00 0.00 36.38 33.11 2r2e s VAL 114 CO 0.12 0.57 0.19 -0.44 0.00 0.00 0.00 175.10 175.55 2r2e s SER 115 N -0.60 -0.19 0.08 3.32 0.01 -0.06 -4.95 113.70 111.30 2r2e s SER 115 Ca 0.11 0.40 0.08 0.00 1.31 0.00 0.00 55.95 57.85 2r2e s SER 115 Cb -0.12 0.34 -0.04 0.00 0.21 0.00 0.00 66.02 66.41 2r2e s SER 115 CO 0.02 -0.11 -0.18 -0.51 0.41 0.00 0.00 173.24 172.87 2r2e s ILE 116 N 0.70 2.81 -0.05 1.44 2.07 -1.26 0.09 121.20 127.00 2r2e s ILE 116 Ca -0.05 -1.35 -0.01 0.00 -1.41 0.00 0.00 60.65 57.82 2r2e s ILE 116 Cb -0.06 -2.24 0.03 0.00 0.13 0.00 0.00 42.46 40.32 2r2e s ILE 116 CO -0.04 0.21 0.02 -0.36 -1.91 0.00 0.00 174.94 172.87 2r2e s PHE 117 N -1.04 0.39 0.73 3.50 0.40 0.98 -4.99 117.98 117.95 2r2e s PHE 117 Ca 0.16 0.02 -0.13 0.00 -0.60 0.00 0.00 56.93 56.38 2r2e s PHE 117 Cb -0.11 -0.63 0.04 0.00 0.51 0.00 0.00 43.02 42.83 2r2e s PHE 117 CO 0.08 -0.25 1.11 -2.14 0.70 0.00 0.00 175.22 174.72 2r2e s PRO 118 N 1.93 2.42 0.41 0.24 0.02 -1.26 -1.95 135.00 136.80 2r2e s PRO 118 Ca 0.03 1.34 -0.25 0.00 0.02 0.00 0.00 61.00 62.15 2r2e s PRO 118 Cb -0.12 -1.91 -0.11 0.00 0.02 0.00 0.00 34.50 32.38 2r2e s PRO 118 CO -0.04 -1.54 1.01 -2.30 -0.33 0.00 0.00 177.00 173.80 2r2e n PRO 119 N -3.00 1.35 -2.22 5.54 -0.02 -1.21 -4.86 135.00 130.58 2r2e n PRO 119 Ca 0.10 0.48 -0.32 0.00 -2.02 0.00 0.00 63.50 61.75 2r2e n PRO 119 Cb 0.52 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 31.96 2r2e n PRO 119 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2r2e s SER 120 N -0.72 6.42 0.29 2.55 1.04 -1.26 -4.95 113.70 117.06 2r2e s SER 120 Ca 0.63 1.57 0.02 0.00 0.48 0.00 0.00 55.95 58.64 2r2e s SER 120 Cb -0.57 -2.50 0.45 0.00 0.10 0.00 0.00 66.02 63.50 2r2e s SER 120 CO 0.57 -0.73 1.78 0.77 0.98 0.00 0.00 173.24 176.60 2r2e h SER 121 N 0.56 0.55 0.09 7.02 4.64 -1.99 -1.96 113.55 122.46 2r2e h SER 121 Ca -0.46 -0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 60.69 2r2e h SER 121 Cb 1.19 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2r2e h SER 121 CO 0.61 0.70 -0.09 1.05 -0.87 0.00 0.00 176.83 178.23 2r2e h GLU 122 N 0.52 0.00 0.17 4.77 9.09 -2.00 -1.76 114.58 125.37 2r2e h GLU 122 Ca 0.09 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 59.22 2r2e h GLU 122 Cb 0.52 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.63 2r2e h GLU 122 CO 0.03 0.09 -1.36 0.37 0.05 0.00 0.00 179.01 178.19 2r2e h GLN 123 N 0.00 0.36 -0.99 1.06 4.15 -1.77 -3.35 115.11 114.57 2r2e h GLN 123 Ca -0.00 -0.62 0.09 0.00 0.77 0.00 0.00 58.65 58.89 2r2e h GLN 123 Cb 0.16 0.23 -0.08 0.00 0.21 0.00 0.00 27.48 28.01 2r2e h GLN 123 CO 0.01 1.30 0.63 -0.07 -1.93 0.00 0.00 178.83 178.77 2r2e h LEU 124 N -0.13 0.96 -2.19 -2.39 3.38 -1.29 -1.08 115.31 112.58 2r2e h LEU 124 Ca -0.26 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2r2e h LEU 124 Cb 1.90 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.49 2r2e h LEU 124 CO 0.16 0.56 0.00 0.00 0.09 0.00 0.00 178.44 179.25 2r2e h THR 125 N 1.06 0.00 0.00 0.22 1.03 -1.45 0.02 112.91 113.79 2r2e h THR 125 Ca 0.46 -0.07 0.00 0.00 -0.01 0.00 0.00 66.41 66.79 2r2e h THR 125 Cb 0.33 0.90 0.00 0.00 -1.07 0.00 0.00 68.15 68.31 2r2e h THR 125 CO -0.22 0.00 -0.94 -1.54 -0.01 0.00 0.00 175.52 172.80 2r2e n SER 126 N -2.77 0.68 0.00 0.00 3.41 -0.42 -4.99 113.62 109.52 2r2e n SER 126 Ca -0.02 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 2r2e n SER 126 Cb 0.10 0.56 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 2r2e n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2r2e n GLY 127 N 1.30 0.98 3.49 5.00 0.00 -0.01 -5.08 105.19 110.86 2r2e n GLY 127 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 2r2e n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2r2e s GLY 128 N -1.65 2.09 -0.22 -0.02 0.00 -1.23 -2.17 107.32 104.13 2r2e s GLY 128 Ca 0.00 -2.06 -0.04 0.00 0.00 0.00 0.00 44.72 42.62 2r2e s GLY 128 CO 0.00 -1.92 0.34 0.00 0.00 0.00 0.00 173.10 171.53 2r2e s ALA 129 N -2.97 -0.89 -0.24 3.20 0.00 0.48 -3.21 121.76 118.12 2r2e s ALA 129 Ca 0.33 0.87 -0.08 0.00 0.00 0.00 0.00 51.96 53.08 2r2e s ALA 129 Cb 0.06 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 2r2e s ALA 129 CO 0.15 -1.13 0.09 -1.12 0.00 0.00 0.00 175.76 173.75 2r2e s SER 130 N 2.50 5.40 -0.17 0.00 0.01 -1.26 -0.68 113.70 119.49 2r2e s SER 130 Ca 0.09 -0.11 -0.16 0.00 1.31 0.00 0.00 55.95 57.08 2r2e s SER 130 Cb -0.15 -1.97 -0.04 0.00 0.21 0.00 0.00 66.02 64.07 2r2e s SER 130 CO -0.14 0.00 0.37 -0.69 0.41 0.00 0.00 173.24 173.20 2r2e s VAL 131 N 1.39 5.23 -0.04 3.43 1.01 0.68 -3.34 120.40 128.77 2r2e s VAL 131 Ca 0.06 0.69 0.05 0.00 0.00 0.00 0.00 61.98 62.78 2r2e s VAL 131 Cb -0.15 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 2r2e s VAL 131 CO 0.05 0.31 -0.18 -0.69 0.00 0.00 0.00 175.10 174.58 2r2e s VAL 132 N 0.92 2.73 -0.09 2.92 1.01 -0.82 -0.10 120.40 126.97 2r2e s VAL 132 Ca 0.19 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.32 2r2e s VAL 132 Cb -0.14 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.22 2r2e s VAL 132 CO 0.07 0.58 -0.07 0.00 0.00 0.00 0.00 175.10 175.68 2r2e s PHE 134 N 1.37 3.29 -0.30 0.00 0.08 0.11 -0.35 117.98 122.18 2r2e s PHE 134 Ca -0.02 0.14 0.02 0.00 0.12 0.00 0.00 56.93 57.19 2r2e s PHE 134 Cb -0.14 -2.07 0.09 0.00 -0.57 0.00 0.00 43.02 40.34 2r2e s PHE 134 CO -0.04 0.23 0.03 -0.51 -0.10 0.00 0.00 175.22 174.83 2r2e s LEU 135 N 0.21 3.45 -0.07 -0.37 1.02 0.39 -0.88 118.68 122.43 2r2e s LEU 135 Ca 0.05 -1.74 0.02 0.00 0.02 0.00 0.00 54.13 52.47 2r2e s LEU 135 Cb -0.12 -1.29 -0.03 0.00 0.02 0.00 0.00 46.19 44.77 2r2e s LEU 135 CO 0.00 -0.35 -0.10 0.20 0.02 0.00 0.00 176.35 176.12 2r2e s ASN 136 N 1.24 4.38 -1.12 2.29 0.01 0.17 0.27 114.94 122.18 2r2e s ASN 136 Ca 0.06 -0.11 -0.03 0.00 -0.71 0.00 0.00 52.86 52.07 2r2e s ASN 136 Cb -0.18 -1.08 -0.04 0.00 0.41 0.00 0.00 41.25 40.35 2r2e s ASN 136 CO -0.13 0.34 0.95 0.59 -1.51 0.00 0.00 177.10 177.35 2r2e n ASN 137 N 2.36 -4.64 -4.40 -1.22 4.13 -0.68 -0.77 115.26 110.03 2r2e n ASN 137 Ca -0.18 -0.67 -0.28 0.00 1.68 0.00 0.00 54.58 55.13 2r2e n ASN 137 Cb 0.53 -5.17 -0.12 0.00 -1.54 0.00 0.00 39.78 33.47 2r2e n ASN 137 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2r2e s PHE 138 N -3.38 2.30 -0.02 3.10 -0.71 0.21 -4.54 117.98 114.93 2r2e s PHE 138 Ca 0.26 -0.37 -0.02 0.00 -1.04 0.00 0.00 56.93 55.76 2r2e s PHE 138 Cb -0.03 -1.20 0.01 0.00 -1.21 0.00 0.00 43.02 40.58 2r2e s PHE 138 CO 0.74 0.40 0.06 -0.47 -1.34 0.00 0.00 175.22 174.61 2r2e s TYR 139 N -1.30 -0.05 0.93 3.49 6.14 -0.91 -0.06 117.35 125.58 2r2e s TYR 139 Ca 0.17 0.14 -0.13 0.00 0.64 0.00 0.00 57.07 57.88 2r2e s TYR 139 Cb -0.09 0.01 0.15 0.00 0.42 0.00 0.00 41.96 42.45 2r2e s TYR 139 CO 0.07 -0.04 1.15 -1.25 0.64 0.00 0.00 175.55 176.12 2r2e s PRO 140 N -0.05 0.99 0.57 4.97 0.04 -1.26 -0.70 135.00 139.55 2r2e s PRO 140 Ca -0.01 0.24 0.25 0.00 0.04 0.00 0.00 61.00 61.52 2r2e s PRO 140 Cb -0.01 -1.83 1.59 0.00 0.04 0.00 0.00 34.50 34.29 2r2e s PRO 140 CO 0.00 -2.29 2.16 -0.22 0.04 0.00 0.00 177.00 176.69 2r2e h LYS 141 N -1.56 0.00 -6.38 4.56 3.64 -1.98 -3.43 116.57 111.42 2r2e h LYS 141 Ca -0.50 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.34 2r2e h LYS 141 Cb 1.33 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.16 2r2e h LYS 141 CO 0.59 0.00 1.03 0.34 -2.27 0.00 0.00 179.45 179.14 2r2e s ASP 142 N -6.30 6.63 -0.23 4.20 3.68 -1.26 -4.98 116.67 118.42 2r2e s ASP 142 Ca -0.05 2.39 -0.21 0.00 2.13 0.00 0.00 52.55 56.82 2r2e s ASP 142 Cb 0.16 -2.55 0.06 0.00 -1.45 0.00 0.00 42.92 39.14 2r2e s ASP 142 CO 0.60 -0.90 0.60 -0.51 0.13 0.00 0.00 175.17 175.09 2r2e s ILE 143 N 3.18 -0.00 -0.09 4.11 2.07 -1.26 -4.64 121.20 124.57 2r2e s ILE 143 Ca 0.74 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.97 2r2e s ILE 143 Cb -0.37 -0.84 -0.03 0.00 0.13 0.00 0.00 42.46 41.35 2r2e s ILE 143 CO 0.32 0.00 -0.03 0.21 -1.91 0.00 0.00 174.94 173.53 2r2e s ASN 144 N 0.36 4.94 -0.16 4.50 3.84 -0.39 -4.99 114.94 123.05 2r2e s ASN 144 Ca -0.00 0.03 0.00 0.00 0.21 0.00 0.00 52.86 53.11 2r2e s ASN 144 Cb -0.04 -1.41 0.02 0.00 -0.55 0.00 0.00 41.25 39.27 2r2e s ASN 144 CO 0.00 0.33 -0.15 -0.69 -2.79 0.00 0.00 177.10 173.81 2r2e s VAL 145 N -0.63 1.66 -0.12 -5.21 1.01 -1.26 -0.59 120.40 115.26 2r2e s VAL 145 Ca 0.10 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 2r2e s VAL 145 Cb -0.12 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 2r2e s VAL 145 CO 0.02 0.44 0.05 -0.54 0.00 0.00 0.00 175.10 175.08 2r2e s LYS 146 N 1.45 3.41 -0.20 2.72 1.02 0.69 -4.96 119.74 123.86 2r2e s LYS 146 Ca 0.04 -0.32 -0.08 0.00 0.02 0.00 0.00 55.97 55.63 2r2e s LYS 146 Cb -0.13 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 2r2e s LYS 146 CO -0.11 0.59 0.09 -1.58 -0.92 0.00 0.00 175.35 173.42 2r2e s TRP 147 N -0.53 3.26 -0.15 3.18 0.52 -1.26 -0.46 118.94 123.50 2r2e s TRP 147 Ca 0.10 0.07 0.01 0.00 0.02 0.00 0.00 56.10 56.30 2r2e s TRP 147 Cb -0.12 -2.14 0.02 0.00 -1.15 0.00 0.00 33.47 30.08 2r2e s TRP 147 CO 0.02 0.09 -0.17 0.15 0.02 0.00 0.00 176.95 177.06 2r2e s LYS 148 N 0.64 2.60 -0.28 4.98 1.02 0.08 -1.35 119.74 127.44 2r2e s LYS 148 Ca 0.05 -0.69 -0.06 0.00 0.02 0.00 0.00 55.97 55.28 2r2e s LYS 148 Cb -0.13 -2.24 -0.00 0.00 -0.52 0.00 0.00 37.83 34.94 2r2e s LYS 148 CO 0.01 -0.14 0.06 0.42 -0.92 0.00 0.00 175.35 174.78 2r2e s ILE 149 N 1.19 3.93 -1.43 2.17 1.01 0.11 -0.80 121.20 127.37 2r2e s ILE 149 Ca -0.00 -0.57 -0.06 0.00 0.00 0.00 0.00 60.65 60.01 2r2e s ILE 149 Cb -0.14 -2.96 0.01 0.00 0.01 0.00 0.00 42.46 39.38 2r2e s ILE 149 CO -0.07 0.18 0.80 0.47 0.00 0.00 0.00 174.94 176.32 2r2e n ASP 150 N 4.86 -6.09 0.00 3.58 8.00 -0.75 -1.98 116.55 124.17 2r2e n ASP 150 Ca -0.15 -0.37 0.00 0.00 0.71 0.00 0.00 54.79 54.98 2r2e n ASP 150 Cb 0.49 -4.83 0.00 0.00 -0.02 0.00 0.00 41.12 36.76 2r2e n ASP 150 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2r2e n GLY 151 N -1.68 0.60 3.07 0.44 0.00 -1.26 -5.02 105.19 101.33 2r2e n GLY 151 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 2r2e n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2r2e s SER 152 N -2.05 1.68 0.45 1.61 0.01 -0.84 -5.06 113.70 109.50 2r2e s SER 152 Ca 0.00 -0.27 -0.24 0.00 1.31 0.00 0.00 55.95 56.75 2r2e s SER 152 Cb 0.00 -0.43 -0.08 0.00 0.21 0.00 0.00 66.02 65.73 2r2e s SER 152 CO 0.00 0.12 1.30 -0.70 0.41 0.00 0.00 173.24 174.36 2r2e s GLU 153 N 0.06 3.73 -0.06 12.44 2.12 -1.26 0.04 118.70 135.77 2r2e s GLU 153 Ca -0.02 2.11 -0.01 0.00 0.36 0.00 0.00 54.97 57.41 2r2e s GLU 153 Cb -0.09 -2.57 0.03 0.00 0.26 0.00 0.00 34.13 31.75 2r2e s GLU 153 CO 0.01 -0.68 0.02 0.50 -0.54 0.00 0.00 175.26 174.57 2r2e s ARG 154 N -2.49 0.34 -0.13 4.30 6.06 -0.46 -4.85 118.95 121.72 2r2e s ARG 154 Ca 0.62 0.20 0.11 0.00 -2.50 0.00 0.00 55.73 54.16 2r2e s ARG 154 Cb -0.37 -0.77 -0.15 0.00 0.06 0.00 0.00 34.95 33.71 2r2e s ARG 154 CO 0.46 -0.30 0.03 0.00 -2.50 0.00 0.00 175.30 173.00 2r2e n GLN 155 N 5.13 1.83 -2.41 5.12 10.64 -1.26 -4.34 117.38 132.08 2r2e n GLN 155 Ca -0.07 -0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.69 2r2e n GLN 155 Cb 0.50 -1.33 -0.04 0.00 -0.86 0.00 0.00 30.24 28.52 2r2e n GLN 155 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2r2e s ASN 156 N -4.62 7.16 0.00 2.61 4.22 -1.26 -4.09 114.94 118.96 2r2e s ASN 156 Ca -0.07 2.26 0.00 0.00 -2.14 0.00 0.00 52.86 52.91 2r2e s ASN 156 Cb 0.04 -2.62 0.00 0.00 1.28 0.00 0.00 41.25 39.95 2r2e s ASN 156 CO 0.51 -0.27 0.00 0.61 -2.04 0.00 0.00 177.10 175.91 2r2e n GLY 157 N 1.68 0.72 3.42 0.45 0.00 -1.26 -4.85 105.19 105.34 2r2e n GLY 157 Ca 0.02 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 2r2e n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r2e s VAL 158 N -2.27 3.17 -0.12 1.61 1.01 -1.26 -1.36 120.40 121.18 2r2e s VAL 158 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.37 2r2e s VAL 158 Cb 0.00 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 34.07 2r2e s VAL 158 CO 0.00 0.54 -0.20 -0.76 0.00 0.00 0.00 175.10 174.68 2r2e s LEU 159 N 0.05 1.99 0.06 3.92 1.43 -0.47 -4.97 118.68 120.68 2r2e s LEU 159 Ca -0.04 -0.53 0.08 0.00 -1.03 0.00 0.00 54.13 52.61 2r2e s LEU 159 Cb -0.14 -1.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.73 2r2e s LEU 159 CO 0.04 0.08 -0.21 0.20 0.23 0.00 0.00 176.35 176.69 2r2e s ASN 160 N 0.73 3.60 -0.14 2.29 0.01 -1.26 -0.99 114.94 119.18 2r2e s ASN 160 Ca -0.10 -0.52 -0.06 0.00 -0.71 0.00 0.00 52.86 51.46 2r2e s ASN 160 Cb -0.16 -0.48 0.06 0.00 0.41 0.00 0.00 41.25 41.09 2r2e s ASN 160 CO 0.01 0.24 0.31 -0.55 -1.51 0.00 0.00 177.10 175.60 2r2e s SER 161 N -1.56 -0.05 -0.09 -1.22 0.15 -0.36 -4.98 113.70 105.58 2r2e s SER 161 Ca 0.14 0.69 -0.08 0.00 0.70 0.00 0.00 55.95 57.40 2r2e s SER 161 Cb -0.10 0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 64.91 2r2e s SER 161 CO 0.05 -0.21 0.19 0.26 1.20 0.00 0.00 173.24 174.73 2r2e s TRP 162 N 1.98 3.62 0.81 3.44 0.51 -1.26 -0.38 118.94 127.66 2r2e s TRP 162 Ca -0.04 0.59 -0.11 0.00 -2.12 0.00 0.00 56.10 54.42 2r2e s TRP 162 Cb -0.11 -1.99 0.08 0.00 -0.81 0.00 0.00 33.47 30.64 2r2e s TRP 162 CO -0.10 0.72 1.09 0.95 -0.51 0.00 0.00 176.95 179.10 2r2e s THR 163 N -1.06 3.14 0.81 2.01 -4.23 -0.68 -5.00 115.64 110.63 2r2e s THR 163 Ca 0.17 0.37 -0.11 0.00 -1.18 0.00 0.00 61.69 60.95 2r2e s THR 163 Cb -0.13 -2.97 0.08 0.00 1.34 0.00 0.00 72.50 70.82 2r2e s THR 163 CO 0.06 -0.48 1.11 -1.81 -0.54 0.00 0.00 174.62 172.96 2r2e s ASP 164 N -3.61 4.05 0.66 3.99 -0.00 -1.26 -4.66 116.67 115.84 2r2e s ASP 164 Ca 0.61 1.96 -0.17 0.00 -0.00 0.00 0.00 52.55 54.95 2r2e s ASP 164 Cb -0.16 -2.54 -0.02 0.00 -0.00 0.00 0.00 42.92 40.20 2r2e s ASP 164 CO 0.56 -2.34 1.08 1.67 -0.00 0.00 0.00 175.17 176.13 2r2e n GLN 165 N -3.66 0.83 -2.72 8.23 7.27 -1.26 -4.75 117.38 121.32 2r2e n GLN 165 Ca 0.10 0.34 -0.42 0.00 0.07 0.00 0.00 57.00 57.09 2r2e n GLN 165 Cb 0.53 -2.31 -0.03 0.00 2.41 0.00 0.00 30.24 30.83 2r2e n GLN 165 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2r2e s ASP 166 N -1.43 7.36 0.52 1.69 2.15 -0.15 -4.94 116.67 121.87 2r2e s ASP 166 Ca 0.78 1.64 0.34 0.00 0.43 0.00 0.00 52.55 55.74 2r2e s ASP 166 Cb -0.38 -2.56 1.57 0.00 -0.30 0.00 0.00 42.92 41.24 2r2e s ASP 166 CO 0.45 -0.26 2.02 0.28 -0.17 0.00 0.00 175.17 177.50 2r2e h SER 167 N 6.80 0.00 0.00 -0.34 0.02 -1.91 -1.32 113.55 116.80 2r2e h SER 167 Ca -0.41 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.29 2r2e h SER 167 Cb 1.22 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.72 2r2e h SER 167 CO 0.75 0.00 -1.92 1.17 -1.14 0.00 0.00 176.83 175.69 2r2e n LYS 168 N -2.91 0.39 -0.02 3.45 3.00 -1.26 -2.22 118.16 118.58 2r2e n LYS 168 Ca -0.00 0.11 0.05 0.00 -0.00 0.00 0.00 58.31 58.47 2r2e n LYS 168 Cb 0.22 -1.26 0.06 0.00 0.00 0.00 0.00 35.03 34.04 2r2e n LYS 168 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2r2e n ASP 169 N -3.19 2.00 -0.16 3.14 3.85 -1.25 -4.91 116.55 116.03 2r2e n ASP 169 Ca -0.30 -1.51 -0.02 0.00 -0.71 0.00 0.00 54.79 52.26 2r2e n ASP 169 Cb 0.78 -0.02 -0.01 0.00 -1.35 0.00 0.00 41.12 40.52 2r2e n ASP 169 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 2r2e n SER 170 N 0.60 -5.02 -4.94 -1.12 7.64 -0.50 -4.97 113.62 105.30 2r2e n SER 170 Ca 0.07 0.05 -0.24 0.00 1.01 0.00 0.00 58.87 59.75 2r2e n SER 170 Cb 0.29 -2.70 0.04 0.00 -1.01 0.00 0.00 64.21 60.82 2r2e n SER 170 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2r2e s THR 171 N -1.48 3.03 0.30 0.44 -4.23 -1.26 -4.60 115.64 107.82 2r2e s THR 171 Ca 0.00 -0.32 0.09 0.00 -1.18 0.00 0.00 61.69 60.28 2r2e s THR 171 Cb 0.00 -3.20 -0.04 0.00 1.34 0.00 0.00 72.50 70.59 2r2e s THR 171 CO 0.00 -0.19 0.08 -0.31 -0.54 0.00 0.00 174.62 173.66 2r2e s TYR 172 N -2.95 2.74 0.18 3.99 1.51 0.92 -0.98 117.35 122.76 2r2e s TYR 172 Ca 0.56 -0.28 0.02 0.00 -1.01 0.00 0.00 57.07 56.36 2r2e s TYR 172 Cb -0.10 -1.41 -0.05 0.00 -0.11 0.00 0.00 41.96 40.29 2r2e s TYR 172 CO 0.42 0.49 -0.01 -1.12 -1.11 0.00 0.00 175.55 174.23 2r2e s SER 173 N -3.76 1.34 -0.02 2.29 0.01 -1.26 -0.62 113.70 111.67 2r2e s SER 173 Ca 0.34 -1.17 -0.10 0.00 1.31 0.00 0.00 55.95 56.34 2r2e s SER 173 Cb -0.05 0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.29 2r2e s SER 173 CO 0.22 -0.54 0.20 -0.32 0.41 0.00 0.00 173.24 173.21 2r2e s MET 174 N -3.90 0.49 -0.10 12.44 1.75 0.14 -1.69 119.30 128.44 2r2e s MET 174 Ca 0.24 -0.20 0.04 0.00 -1.25 0.00 0.00 55.69 54.51 2r2e s MET 174 Cb 0.06 0.21 0.00 0.00 2.84 0.00 0.00 34.83 37.94 2r2e s MET 174 CO 0.04 -0.12 -0.23 0.45 -0.65 0.00 0.00 175.02 174.52 2r2e s SER 175 N -1.07 2.98 -0.11 1.11 0.15 0.49 -0.46 113.70 116.79 2r2e s SER 175 Ca -0.11 -0.54 0.03 0.00 0.70 0.00 0.00 55.95 56.03 2r2e s SER 175 Cb -0.06 -1.36 0.00 0.00 -1.71 0.00 0.00 66.02 62.90 2r2e s SER 175 CO 0.02 0.14 -0.22 -0.55 1.20 0.00 0.00 173.24 173.83 2r2e s SER 176 N 0.42 2.93 -0.13 5.45 0.15 0.52 -1.23 113.70 121.82 2r2e s SER 176 Ca -0.17 -0.54 0.02 0.00 0.70 0.00 0.00 55.95 55.96 2r2e s SER 176 Cb -0.18 -1.35 0.01 0.00 -1.71 0.00 0.00 66.02 62.80 2r2e s SER 176 CO 0.07 0.12 -0.19 -0.89 1.20 0.00 0.00 173.24 173.55 2r2e s THR 177 N 0.55 1.84 -0.24 6.45 2.01 -0.16 0.03 115.64 126.12 2r2e s THR 177 Ca -0.14 -0.84 -0.08 0.00 0.31 0.00 0.00 61.69 60.94 2r2e s THR 177 Cb -0.17 -1.65 -0.03 0.00 0.01 0.00 0.00 72.50 70.66 2r2e s THR 177 CO 0.05 0.51 0.08 -0.22 -0.69 0.00 0.00 174.62 174.34 2r2e s LEU 178 N 0.96 3.57 -0.20 4.42 2.96 0.86 -1.37 118.68 129.87 2r2e s LEU 178 Ca -0.05 -0.13 -0.04 0.00 -0.22 0.00 0.00 54.13 53.69 2r2e s LEU 178 Cb -0.15 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 2r2e s LEU 178 CO -0.03 0.01 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.10 2r2e s THR 179 N 1.36 3.73 0.40 3.68 2.01 -0.47 -0.23 115.64 126.12 2r2e s THR 179 Ca 0.05 -0.39 0.07 0.00 0.31 0.00 0.00 61.69 61.74 2r2e s THR 179 Cb -0.15 -2.69 -0.08 0.00 0.01 0.00 0.00 72.50 69.60 2r2e s THR 179 CO 0.04 0.43 0.00 -0.76 -0.69 0.00 0.00 174.62 173.64 2r2e s LEU 180 N 1.15 2.83 0.84 4.42 2.01 0.14 -4.77 118.68 125.30 2r2e s LEU 180 Ca 0.02 -1.35 -0.11 0.00 0.01 0.00 0.00 54.13 52.69 2r2e s LEU 180 Cb -0.14 -0.88 0.10 0.00 0.01 0.00 0.00 46.19 45.27 2r2e s LEU 180 CO 0.01 -0.44 1.09 0.42 1.01 0.00 0.00 176.35 178.44 2r2e s THR 181 N -2.73 2.88 0.16 5.49 -4.23 -1.26 -0.38 115.64 115.56 2r2e s THR 181 Ca 0.35 0.29 -0.13 0.00 -1.18 0.00 0.00 61.69 61.02 2r2e s THR 181 Cb 0.09 -2.89 0.04 0.00 1.34 0.00 0.00 72.50 71.08 2r2e s THR 181 CO 0.18 -0.37 1.67 0.50 -0.54 0.00 0.00 174.62 176.05 2r2e h LYS 182 N -1.31 0.84 -0.76 3.99 3.64 -1.66 -0.49 116.57 120.81 2r2e h LYS 182 Ca -0.48 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 58.65 2r2e h LYS 182 Cb 1.27 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 2r2e h LYS 182 CO 0.57 0.79 0.26 -0.44 -2.27 0.00 0.00 179.45 178.36 2r2e h ASP 183 N 0.73 1.09 -0.27 4.20 3.32 -1.94 0.12 116.42 123.67 2r2e h ASP 183 Ca 0.17 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 2r2e h ASP 183 Cb 0.33 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2r2e h ASP 183 CO 0.00 1.00 0.16 -0.33 -1.72 0.00 0.00 179.24 178.35 2r2e h GLU 184 N 1.13 0.37 -0.79 3.56 5.08 -1.90 -3.19 114.58 118.83 2r2e h GLU 184 Ca 0.25 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 2r2e h GLU 184 Cb 0.28 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2r2e h GLU 184 CO -0.01 0.30 0.31 -0.92 -1.00 0.00 0.00 179.01 177.69 2r2e h TYR 185 N 0.34 1.19 -0.08 4.33 3.20 -0.65 -2.89 116.97 122.42 2r2e h TYR 185 Ca 0.10 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2r2e h TYR 185 Cb 0.02 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 37.93 2r2e h TYR 185 CO -0.04 0.90 0.00 0.39 -1.64 0.00 0.00 178.16 177.77 2r2e n GLU 186 N -4.28 1.26 0.08 1.82 1.02 0.39 -3.30 120.64 117.64 2r2e n GLU 186 Ca 0.07 -0.40 0.11 0.00 -0.02 0.00 0.00 57.16 56.92 2r2e n GLU 186 Cb 0.19 -1.23 0.01 0.00 -0.02 0.00 0.00 31.44 30.38 2r2e n GLU 186 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2r2e n ARG 187 N -0.30 0.51 -4.37 3.49 1.74 -1.09 -4.98 116.66 111.66 2r2e n ARG 187 Ca 0.10 0.07 -0.24 0.00 -0.77 0.00 0.00 57.85 57.02 2r2e n ARG 187 Cb 0.13 -1.74 -0.11 0.00 -1.02 0.00 0.00 32.46 29.72 2r2e n ARG 187 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2r2e s HIS 188 N -3.32 2.02 -0.15 -1.55 3.76 -1.21 -5.08 115.29 109.76 2r2e s HIS 188 Ca 0.00 -0.42 -0.10 0.00 -0.15 0.00 0.00 55.06 54.40 2r2e s HIS 188 Cb 0.11 -0.99 -0.06 0.00 1.11 0.00 0.00 32.58 32.74 2r2e s HIS 188 CO 0.79 0.42 -0.23 0.09 -0.85 0.00 0.00 174.74 174.96 2r2e n ASN 189 N 0.21 1.36 -4.72 1.40 3.02 -1.26 -4.75 115.26 110.52 2r2e n ASN 189 Ca -0.12 0.23 -0.40 0.00 -0.03 0.00 0.00 54.58 54.26 2r2e n ASN 189 Cb 0.57 -0.54 -0.05 0.00 -0.61 0.00 0.00 39.78 39.15 2r2e n ASN 189 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2r2e s SER 190 N -6.40 6.99 -0.13 6.41 0.15 -1.26 -0.07 113.70 119.39 2r2e s SER 190 Ca -0.23 1.19 -0.00 0.00 0.70 0.00 0.00 55.95 57.61 2r2e s SER 190 Cb 0.07 -2.41 0.02 0.00 -1.71 0.00 0.00 66.02 62.00 2r2e s SER 190 CO 0.30 -0.07 -0.11 -0.31 1.20 0.00 0.00 173.24 174.25 2r2e s TYR 191 N 0.59 1.79 -0.09 3.44 2.02 -0.13 -1.81 117.35 123.16 2r2e s TYR 191 Ca 0.36 -0.95 0.01 0.00 -0.37 0.00 0.00 57.07 56.13 2r2e s TYR 191 Cb -0.18 -1.39 0.02 0.00 -0.40 0.00 0.00 41.96 40.00 2r2e s TYR 191 CO 0.18 -0.58 -0.12 0.99 -1.57 0.00 0.00 175.55 174.45 2r2e s THR 192 N 1.59 1.20 -0.25 -0.71 2.01 0.02 -0.65 115.64 118.86 2r2e s THR 192 Ca 0.05 -0.47 -0.10 0.00 0.31 0.00 0.00 61.69 61.48 2r2e s THR 192 Cb -0.13 -1.13 -0.05 0.00 0.01 0.00 0.00 72.50 71.20 2r2e s THR 192 CO -0.09 0.38 0.15 0.00 -0.69 0.00 0.00 174.62 174.38 2r2e s GLU 194 N 1.27 2.28 -0.24 0.00 2.12 0.39 -1.18 118.70 123.35 2r2e s GLU 194 Ca 0.07 -0.86 -0.05 0.00 0.36 0.00 0.00 54.97 54.48 2r2e s GLU 194 Cb -0.14 -2.46 -0.01 0.00 0.26 0.00 0.00 34.13 31.78 2r2e s GLU 194 CO 0.06 -0.38 0.01 0.00 -0.54 0.00 0.00 175.26 174.42 2r2e s ALA 195 N 1.35 2.97 -0.28 6.30 0.00 -0.03 -0.22 121.76 131.85 2r2e s ALA 195 Ca -0.00 -1.20 -0.09 0.00 0.00 0.00 0.00 51.96 50.67 2r2e s ALA 195 Cb -0.16 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.04 2r2e s ALA 195 CO -0.09 -0.52 0.13 0.99 0.00 0.00 0.00 175.76 176.27 2r2e s THR 196 N 1.53 4.70 0.21 0.00 2.01 0.24 -1.07 115.64 123.25 2r2e s THR 196 Ca 0.05 -0.14 0.10 0.00 0.31 0.00 0.00 61.69 62.01 2r2e s THR 196 Cb -0.15 -3.27 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 2r2e s THR 196 CO -0.00 0.23 -0.19 -2.28 -0.69 0.00 0.00 174.62 171.69 2r2e s HIS 197 N 1.66 2.00 -0.54 4.92 2.46 -1.26 -1.26 115.29 123.27 2r2e s HIS 197 Ca 0.06 -0.44 0.20 0.00 0.47 0.00 0.00 55.06 55.35 2r2e s HIS 197 Cb -0.16 -0.95 0.89 0.00 -0.13 0.00 0.00 32.58 32.24 2r2e s HIS 197 CO 0.07 0.46 1.61 0.36 -2.47 0.00 0.00 174.74 174.76 2r2e n LYS 198 N -0.07 0.14 0.17 2.88 2.85 -1.26 -3.17 118.16 119.70 2r2e n LYS 198 Ca -0.10 0.45 0.14 0.00 -1.05 0.00 0.00 58.31 57.74 2r2e n LYS 198 Cb 0.58 -1.80 0.51 0.00 -0.65 0.00 0.00 35.03 33.67 2r2e n LYS 198 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 2r2e h THR 199 N 0.00 0.00 -2.90 0.58 1.35 -1.91 -3.44 112.91 106.58 2r2e h THR 199 Ca 0.00 -0.39 -0.09 0.00 -0.55 0.00 0.00 66.41 65.38 2r2e h THR 199 Cb 0.24 1.25 -0.18 0.00 -1.73 0.00 0.00 68.15 67.73 2r2e h THR 199 CO 0.00 0.00 -0.13 -0.55 -0.25 0.00 0.00 175.52 174.59 2r2e s SER 200 N -4.80 -0.30 0.00 5.36 0.15 -1.19 -5.02 113.70 107.91 2r2e s SER 200 Ca 0.04 0.12 0.27 0.00 0.70 0.00 0.00 55.95 57.08 2r2e s SER 200 Cb 0.09 0.40 0.87 0.00 -1.71 0.00 0.00 66.02 65.67 2r2e s SER 200 CO 0.48 -0.58 1.65 0.35 1.20 0.00 0.00 173.24 176.34 2r2e n THR 201 N 0.82 0.00 -4.40 6.45 -2.24 -1.26 -4.61 114.28 109.05 2r2e n THR 201 Ca -0.20 -0.04 -0.34 0.00 -2.27 0.00 0.00 64.05 61.20 2r2e n THR 201 Cb 0.58 0.04 -0.10 0.00 -2.10 0.00 0.00 70.33 68.75 2r2e n THR 201 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2r2e s SER 202 N -2.79 5.08 0.56 3.42 1.04 -1.26 -5.11 113.70 114.64 2r2e s SER 202 Ca 0.18 0.06 -0.20 0.00 0.48 0.00 0.00 55.95 56.47 2r2e s SER 202 Cb 0.19 -1.52 -0.06 0.00 0.10 0.00 0.00 66.02 64.73 2r2e s SER 202 CO 0.58 0.32 0.95 -2.65 0.98 0.00 0.00 173.24 173.42 2r2e n PRO 203 N 2.53 0.99 -2.97 4.02 -0.02 -1.26 -4.91 135.00 133.38 2r2e n PRO 203 Ca -0.18 0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 61.27 2r2e n PRO 203 Cb 0.53 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 2r2e n PRO 203 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2r2e s ILE 204 N -1.48 4.97 -0.15 4.25 1.01 -0.23 -4.91 121.20 124.65 2r2e s ILE 204 Ca 0.73 1.53 0.00 0.00 0.00 0.00 0.00 60.65 62.91 2r2e s ILE 204 Cb -0.44 -4.09 0.03 0.00 0.01 0.00 0.00 42.46 37.97 2r2e s ILE 204 CO 0.50 0.15 -0.12 -0.69 0.00 0.00 0.00 174.94 174.77 2r2e s VAL 205 N 1.42 1.48 -0.05 2.92 1.01 -1.26 -0.85 120.40 125.08 2r2e s VAL 205 Ca 0.38 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.80 2r2e s VAL 205 Cb -0.17 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 2r2e s VAL 205 CO 0.16 0.39 -0.24 -0.54 0.00 0.00 0.00 175.10 174.87 2r2e s LYS 206 N 1.52 2.41 0.03 2.72 -0.14 -0.32 -5.00 119.74 120.95 2r2e s LYS 206 Ca 0.04 -0.89 -0.00 0.00 -1.36 0.00 0.00 55.97 53.76 2r2e s LYS 206 Cb -0.13 -2.15 -0.03 0.00 -1.68 0.00 0.00 37.83 33.84 2r2e s LYS 206 CO -0.10 0.47 -0.03 0.45 -0.76 0.00 0.00 175.35 175.38 2r2e s SER 207 N -0.37 0.35 0.02 2.83 0.15 -1.26 0.08 113.70 115.50 2r2e s SER 207 Ca 0.03 -0.69 -0.03 0.00 0.70 0.00 0.00 55.95 55.96 2r2e s SER 207 Cb -0.12 0.13 -0.01 0.00 -1.71 0.00 0.00 66.02 64.31 2r2e s SER 207 CO 0.02 -0.41 0.04 0.72 1.20 0.00 0.00 173.24 174.81 2r2e s PHE 208 N -2.37 0.20 -0.16 3.44 -0.71 0.18 -4.99 117.98 113.57 2r2e s PHE 208 Ca -0.07 -0.44 -0.04 0.00 -1.04 0.00 0.00 56.93 55.34 2r2e s PHE 208 Cb -0.03 -0.15 -0.03 0.00 -1.21 0.00 0.00 43.02 41.60 2r2e s PHE 208 CO -0.04 -0.26 -0.03 1.21 -1.34 0.00 0.00 175.22 174.76 2r2e s ASN 209 N -1.64 4.89 0.38 1.98 3.84 -1.26 -0.96 114.94 122.18 2r2e s ASN 209 Ca -0.12 -0.11 0.14 0.00 0.21 0.00 0.00 52.86 52.99 2r2e s ASN 209 Cb -0.07 -1.80 0.77 0.00 -0.55 0.00 0.00 41.25 39.60 2r2e s ASN 209 CO -0.01 0.17 1.83 -0.09 -2.79 0.00 0.00 177.10 176.21 2r2e h ARG 210 N 6.71 0.00 0.00 0.43 2.43 -0.78 -1.66 114.38 121.52 2r2e h ARG 210 Ca -0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 2r2e h ARG 210 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2r2e h ARG 210 CO 0.64 0.36 0.00 0.27 -1.51 0.00 0.00 179.97 179.73 2r2e n ASN 211 N -4.00 0.00 -0.86 -3.80 0.23 -1.26 -2.24 115.26 103.33 2r2e n ASN 211 Ca -0.02 -0.39 0.12 0.00 -0.53 0.00 0.00 54.58 53.77 2r2e n ASN 211 Cb 0.41 -0.17 0.25 0.00 -2.08 0.00 0.00 39.78 38.19 2r2e n ASN 211 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2r2e n GLU 212 N -1.17 2.17 0.00 -3.83 1.02 -0.62 -5.27 120.64 112.94 2r2e n GLU 212 Ca 0.15 -1.72 0.15 0.00 -0.02 0.00 0.00 57.16 55.72 2r2e n GLU 212 Cb 0.16 -1.47 0.78 0.00 -0.02 0.00 0.00 31.44 30.89 2r2e n GLU 212 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31