#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gfn s PRO 12 N 0.00 1.65 0.17 5.56 0.04 -1.26 -4.65 135.00 136.51 3gfn s PRO 12 Ca 0.00 0.44 -0.13 0.00 0.04 0.00 0.00 61.00 61.34 3gfn s PRO 12 Cb 0.00 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.72 3gfn s PRO 12 CO 0.00 -1.88 1.78 -0.09 0.04 0.00 0.00 177.00 176.86 3gfn h ARG 13 N -1.27 0.76 -1.81 4.56 2.43 -1.85 -2.77 114.38 114.43 3gfn h ARG 13 Ca -0.49 -0.09 0.08 0.00 -0.81 0.00 0.00 59.98 58.68 3gfn h ARG 13 Cb 1.30 -0.15 -0.21 0.00 -0.42 0.00 0.00 29.97 30.49 3gfn h ARG 13 CO 0.61 0.58 0.00 0.12 -1.51 0.00 0.00 179.97 179.77 3gfn s PHE 14 N -5.88 -1.12 -0.19 2.20 5.36 -1.24 -4.08 117.98 113.04 3gfn s PHE 14 Ca -0.13 2.02 -0.04 0.00 -0.96 0.00 0.00 56.93 57.82 3gfn s PHE 14 Cb 0.12 0.67 0.09 0.00 -0.34 0.00 0.00 43.02 43.56 3gfn s PHE 14 CO 0.76 -0.55 0.25 0.45 -1.46 0.00 0.00 175.22 174.67 3gfn s SER 15 N 2.40 0.93 -0.25 6.13 0.15 -0.33 -4.97 113.70 117.75 3gfn s SER 15 Ca -0.07 0.07 -0.11 0.00 0.70 0.00 0.00 55.95 56.54 3gfn s SER 15 Cb -0.09 0.57 -0.05 0.00 -1.71 0.00 0.00 66.02 64.75 3gfn s SER 15 CO -0.19 -0.30 0.20 0.12 1.20 0.00 0.00 173.24 174.27 3gfn s PHE 16 N 2.38 3.28 -0.07 3.44 5.36 -1.26 0.06 117.98 131.17 3gfn s PHE 16 Ca 0.06 0.22 0.03 0.00 -0.96 0.00 0.00 56.93 56.28 3gfn s PHE 16 Cb -0.15 -2.35 0.01 0.00 -0.34 0.00 0.00 43.02 40.20 3gfn s PHE 16 CO -0.12 -0.04 -0.15 -1.54 -1.46 0.00 0.00 175.22 171.92 3gfn s SER 17 N 1.35 2.08 -0.25 6.13 1.04 0.00 -4.98 113.70 119.07 3gfn s SER 17 Ca 0.09 -0.36 -0.14 0.00 0.48 0.00 0.00 55.95 56.02 3gfn s SER 17 Cb -0.15 -0.96 -0.04 0.00 0.10 0.00 0.00 66.02 64.97 3gfn s SER 17 CO 0.07 0.06 0.32 -0.63 0.98 0.00 0.00 173.24 174.04 3gfn s ILE 18 N 0.59 5.23 -0.11 -1.02 1.01 -1.26 -0.96 121.20 124.68 3gfn s ILE 18 Ca -0.16 0.48 0.16 0.00 0.00 0.00 0.00 60.65 61.13 3gfn s ILE 18 Cb -0.16 -3.65 -0.22 0.00 0.01 0.00 0.00 42.46 38.44 3gfn s ILE 18 CO 0.05 0.23 0.52 0.00 0.00 0.00 0.00 174.94 175.74 3gfn n ALA 19 N 4.90 1.66 -3.47 9.38 0.00 0.04 -4.97 120.51 128.05 3gfn n ALA 19 Ca -0.10 -0.87 -0.16 0.00 0.00 0.00 0.00 53.44 52.31 3gfn n ALA 19 Cb 0.51 -0.68 -0.05 0.00 0.00 0.00 0.00 19.45 19.24 3gfn n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gfn s ALA 20 N -2.69 -1.67 0.02 0.00 0.00 -1.00 -5.02 121.76 111.41 3gfn s ALA 20 Ca -0.06 0.97 -0.04 0.00 0.00 0.00 0.00 51.96 52.83 3gfn s ALA 20 Cb 0.08 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.53 3gfn s ALA 20 CO 0.83 -0.52 0.06 1.03 0.00 0.00 0.00 175.76 177.16 3gfn s ARG 21 N -2.18 0.48 -0.25 0.00 0.52 -1.26 -0.70 118.95 115.56 3gfn s ARG 21 Ca -0.06 -0.64 -0.02 0.00 -0.52 0.00 0.00 55.73 54.49 3gfn s ARG 21 Cb -0.00 0.18 0.13 0.00 0.52 0.00 0.00 34.95 35.78 3gfn s ARG 21 CO 0.01 -0.11 0.36 -2.00 0.02 0.00 0.00 175.30 173.58 3gfn s GLU 22 N -1.99 0.34 7.87 3.54 2.12 -0.72 -4.88 118.70 124.98 3gfn s GLU 22 Ca -0.10 0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.64 3gfn s GLU 22 Cb -0.05 -0.55 0.00 0.00 0.26 0.00 0.00 34.13 33.79 3gfn s GLU 22 CO -0.02 -0.71 0.00 0.41 -0.54 0.00 0.00 175.26 174.40 3gfn n GLY 23 N 5.36 3.41 0.06 -1.50 0.00 -1.26 -1.25 105.19 110.00 3gfn n GLY 23 Ca -0.03 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 45.98 3gfn n GLY 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gfn n LYS 24 N 13.87 0.21 -2.49 1.61 5.02 -1.26 -4.88 118.16 130.25 3gfn n LYS 24 Ca 0.00 0.10 -0.37 0.00 -2.02 0.00 0.00 58.31 56.03 3gfn n LYS 24 Cb 0.00 -1.68 -0.04 0.00 -0.02 0.00 0.00 35.03 33.30 3gfn n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gfn s ALA 25 N -3.11 3.10 0.05 7.82 0.00 -0.38 -3.70 121.76 125.55 3gfn s ALA 25 Ca 0.09 0.76 0.03 0.00 0.00 0.00 0.00 51.96 52.84 3gfn s ALA 25 Cb 0.14 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 3gfn s ALA 25 CO 0.66 -0.29 -0.09 1.03 0.00 0.00 0.00 175.76 177.07 3gfn s ARG 26 N -2.43 0.62 0.01 0.00 3.00 -1.26 -1.75 118.95 117.14 3gfn s ARG 26 Ca 0.57 -0.83 0.02 0.00 0.00 0.00 0.00 55.73 55.50 3gfn s ARG 26 Cb -0.24 -0.44 -0.01 0.00 0.00 0.00 0.00 34.95 34.26 3gfn s ARG 26 CO 0.30 0.08 -0.08 -0.08 0.00 0.00 0.00 175.30 175.53 3gfn s THR 27 N -1.41 0.60 -0.43 0.02 -1.32 0.12 -4.08 115.64 109.14 3gfn s THR 27 Ca -0.07 -0.61 0.00 0.00 -1.21 0.00 0.00 61.69 59.80 3gfn s THR 27 Cb -0.10 -0.56 0.00 0.00 -1.51 0.00 0.00 72.50 70.33 3gfn s THR 27 CO 0.01 -0.03 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 3gfn n GLY 28 N 2.35 -0.81 3.10 6.08 0.00 -0.51 -0.78 105.19 114.62 3gfn n GLY 28 Ca -0.17 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 3gfn n GLY 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gfn s THR 29 N -4.00 0.06 -0.24 2.61 -4.23 -0.13 -0.89 115.64 108.81 3gfn s THR 29 Ca 0.00 -0.47 -0.06 0.00 -1.18 0.00 0.00 61.69 59.98 3gfn s THR 29 Cb 0.00 -0.38 -0.02 0.00 1.34 0.00 0.00 72.50 73.44 3gfn s THR 29 CO 0.00 -0.26 0.02 -0.63 -0.54 0.00 0.00 174.62 173.21 3gfn s ILE 30 N -0.92 3.89 -0.19 2.99 1.01 0.52 -0.82 121.20 127.68 3gfn s ILE 30 Ca -0.10 -0.33 -0.11 0.00 0.00 0.00 0.00 60.65 60.11 3gfn s ILE 30 Cb -0.06 -2.81 -0.05 0.00 0.01 0.00 0.00 42.46 39.56 3gfn s ILE 30 CO 0.01 0.37 0.19 -1.61 0.00 0.00 0.00 174.94 173.89 3gfn s GLU 31 N 1.55 4.21 0.24 2.79 2.02 0.11 0.06 118.70 129.68 3gfn s GLU 31 Ca 0.06 -0.11 0.01 0.00 0.02 0.00 0.00 54.97 54.94 3gfn s GLU 31 Cb -0.15 -3.43 -0.05 0.00 0.10 0.00 0.00 34.13 30.61 3gfn s GLU 31 CO 0.01 0.27 0.11 -1.64 0.02 0.00 0.00 175.26 174.03 3gfn s MET 32 N 0.42 1.34 0.31 1.61 -1.94 -0.64 -1.18 119.30 119.22 3gfn s MET 32 Ca 0.11 -1.72 -0.00 0.00 -1.71 0.00 0.00 55.69 52.36 3gfn s MET 32 Cb -0.12 -0.07 0.50 0.00 2.01 0.00 0.00 34.83 37.16 3gfn s MET 32 CO 0.00 -0.33 1.94 0.87 -0.01 0.00 0.00 175.02 177.48 3gfn h LYS 33 N 2.46 0.90 -0.09 2.03 1.57 -1.63 -2.56 116.57 119.26 3gfn h LYS 33 Ca -0.37 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3gfn h LYS 33 Cb 1.25 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.38 3gfn h LYS 33 CO 0.58 0.67 0.00 0.54 -0.57 0.00 0.00 179.45 180.66 3gfn n ARG 34 N -4.37 1.70 0.00 3.15 1.74 -1.26 -4.74 116.66 112.88 3gfn n ARG 34 Ca 0.06 -1.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.11 3gfn n ARG 34 Cb 0.10 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 3gfn n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gfn n GLY 35 N 1.16 0.09 3.83 -0.13 0.00 -0.96 -4.16 105.19 105.01 3gfn n GLY 35 Ca 0.18 -1.60 -0.37 0.00 0.00 0.00 0.00 46.02 44.22 3gfn n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gfn s VAL 36 N -1.56 5.39 -0.20 1.61 1.01 -1.26 -1.62 120.40 123.76 3gfn s VAL 36 Ca 0.00 0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 3gfn s VAL 36 Cb 0.00 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.88 3gfn s VAL 36 CO 0.00 0.55 -0.09 -0.63 0.00 0.00 0.00 175.10 174.93 3gfn s ILE 37 N -0.61 3.00 0.00 2.22 1.01 0.11 -4.87 121.20 122.06 3gfn s ILE 37 Ca 0.15 -0.63 -0.26 0.00 0.00 0.00 0.00 60.65 59.91 3gfn s ILE 37 Cb -0.13 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 3gfn s ILE 37 CO 0.05 0.47 0.83 -0.13 0.00 0.00 0.00 174.94 176.15 3gfn s ARG 38 N 1.27 4.51 0.07 2.79 0.52 -1.26 -0.36 118.95 126.49 3gfn s ARG 38 Ca 0.03 1.15 0.08 0.00 -0.52 0.00 0.00 55.73 56.47 3gfn s ARG 38 Cb -0.14 -3.42 -0.03 0.00 0.52 0.00 0.00 34.95 31.87 3gfn s ARG 38 CO -0.04 0.10 -0.20 0.95 0.02 0.00 0.00 175.30 176.12 3gfn s THR 39 N 0.56 2.64 0.32 0.02 -4.23 -0.07 -3.47 115.64 111.41 3gfn s THR 39 Ca 0.43 -1.36 -0.29 0.00 -1.18 0.00 0.00 61.69 59.29 3gfn s THR 39 Cb -0.20 -2.13 -0.11 0.00 1.34 0.00 0.00 72.50 71.41 3gfn s THR 39 CO 0.23 0.26 1.45 -2.84 -0.54 0.00 0.00 174.62 173.18 3gfn s PRO 40 N -1.64 4.21 -0.05 3.99 0.02 -1.26 -1.42 135.00 138.85 3gfn s PRO 40 Ca 0.15 2.42 0.05 0.00 0.02 0.00 0.00 61.00 63.64 3gfn s PRO 40 Cb -0.10 -3.04 -0.02 0.00 0.02 0.00 0.00 34.50 31.36 3gfn s PRO 40 CO 0.06 -0.44 -0.19 0.00 -0.33 0.00 0.00 177.00 176.10 3gfn s ALA 41 N -0.65 2.45 -0.18 -1.55 0.00 0.20 -4.85 121.76 117.19 3gfn s ALA 41 Ca 0.55 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.45 3gfn s ALA 41 Cb -0.44 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 3gfn s ALA 41 CO 0.53 0.50 -0.02 0.12 0.00 0.00 0.00 175.76 176.90 3gfn s PHE 42 N -0.53 3.04 -0.41 0.00 5.36 -1.26 -1.44 117.98 122.74 3gfn s PHE 42 Ca 0.07 -0.36 -0.10 0.00 -0.96 0.00 0.00 56.93 55.59 3gfn s PHE 42 Cb -0.11 -2.02 0.07 0.00 -0.34 0.00 0.00 43.02 40.61 3gfn s PHE 42 CO 0.01 -0.12 0.24 -1.64 -1.46 0.00 0.00 175.22 172.25 3gfn s MET 43 N 0.65 2.66 0.61 10.12 -1.94 0.28 -4.75 119.30 126.94 3gfn s MET 43 Ca -0.01 -1.36 -0.19 0.00 -1.71 0.00 0.00 55.69 52.41 3gfn s MET 43 Cb -0.14 -3.76 -0.03 0.00 2.01 0.00 0.00 34.83 32.91 3gfn s MET 43 CO 0.02 -0.89 1.27 -2.30 -0.01 0.00 0.00 175.02 173.11 3gfn n PRO 44 N 4.94 1.26 -3.49 2.03 -0.02 -1.25 -4.15 135.00 134.31 3gfn n PRO 44 Ca -0.11 0.48 -0.37 0.00 -2.02 0.00 0.00 63.50 61.49 3gfn n PRO 44 Cb 0.44 -2.49 -0.07 0.00 -0.02 0.00 0.00 33.50 31.35 3gfn n PRO 44 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gfn s VAL 45 N -1.37 5.28 -0.43 -1.45 1.01 -1.26 -0.94 120.40 121.24 3gfn s VAL 45 Ca 0.78 0.62 -0.15 0.00 0.00 0.00 0.00 61.98 63.23 3gfn s VAL 45 Cb -0.40 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.36 3gfn s VAL 45 CO 0.44 0.37 0.33 -0.83 0.00 0.00 0.00 175.10 175.41 3gfn s GLY 46 N 0.54 2.02 -0.17 4.51 0.00 0.12 -4.30 107.32 110.03 3gfn s GLY 46 Ca 0.18 -1.90 -0.11 0.00 0.00 0.00 0.00 44.72 42.89 3gfn s GLY 46 CO 0.05 0.97 0.20 -1.59 0.00 0.00 0.00 173.10 172.73 3gfn s THR 47 N 1.64 5.37 -1.15 0.90 2.01 0.24 -2.26 115.64 122.40 3gfn s THR 47 Ca 0.04 0.34 -0.19 0.00 0.31 0.00 0.00 61.69 62.19 3gfn s THR 47 Cb -0.21 -3.53 0.03 0.00 0.01 0.00 0.00 72.50 68.80 3gfn s THR 47 CO 0.08 0.45 0.37 0.00 -0.69 0.00 0.00 174.62 174.83 3gfn n ALA 48 N 3.28 -2.19 0.00 7.40 0.00 -1.26 -2.90 120.51 124.83 3gfn n ALA 48 Ca -0.15 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.83 3gfn n ALA 48 Cb 0.52 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3gfn n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gfn n ALA 49 N -4.35 0.00 -3.61 0.00 0.00 -1.26 -4.98 120.51 106.31 3gfn n ALA 49 Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 3gfn n ALA 49 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 3gfn n ALA 49 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3gfn s THR 50 N -0.61 0.00 -0.57 0.00 -1.32 -1.14 -4.74 115.64 107.25 3gfn s THR 50 Ca 0.00 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.23 3gfn s THR 50 Cb 0.00 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.03 3gfn s THR 50 CO 0.00 0.00 1.02 -0.69 -2.21 0.00 0.00 174.62 172.74 3gfn s VAL 51 N -0.04 4.26 -0.02 5.08 1.01 -1.26 -0.59 120.40 128.83 3gfn s VAL 51 Ca -0.01 0.41 -0.38 0.00 0.00 0.00 0.00 61.98 62.00 3gfn s VAL 51 Cb -0.04 -4.62 -0.16 0.00 0.00 0.00 0.00 36.38 31.56 3gfn s VAL 51 CO 0.01 -1.23 1.45 2.29 0.00 0.00 0.00 175.10 177.61 3gfn n LYS 52 N 7.82 1.13 -1.06 2.72 2.85 -1.26 -1.28 118.16 129.08 3gfn n LYS 52 Ca 0.03 0.41 -0.02 0.00 -1.05 0.00 0.00 58.31 57.68 3gfn n LYS 52 Cb 0.48 -2.06 -0.01 0.00 -0.65 0.00 0.00 35.03 32.79 3gfn n LYS 52 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3gfn n ALA 53 N 3.29 -0.03 -2.97 0.58 0.00 -1.26 -4.98 120.51 115.14 3gfn n ALA 53 Ca 0.21 0.03 -0.25 0.00 0.00 0.00 0.00 53.44 53.43 3gfn n ALA 53 Cb 0.17 -0.80 -0.16 0.00 0.00 0.00 0.00 19.45 18.67 3gfn n ALA 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gfn s LEU 54 N -0.46 1.88 0.54 0.00 1.43 -0.41 -4.57 118.68 117.09 3gfn s LEU 54 Ca 0.00 -0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 52.58 3gfn s LEU 54 Cb 0.00 -0.91 -0.06 0.00 0.03 0.00 0.00 46.19 45.25 3gfn s LEU 54 CO 0.00 0.13 1.13 -0.54 0.23 0.00 0.00 176.35 177.30 3gfn s LYS 55 N 0.11 3.38 0.41 1.70 1.02 -1.26 -4.48 119.74 120.63 3gfn s LYS 55 Ca -0.05 1.62 0.13 0.00 0.02 0.00 0.00 55.97 57.69 3gfn s LYS 55 Cb -0.11 -2.03 0.98 0.00 -0.52 0.00 0.00 37.83 36.14 3gfn s LYS 55 CO 0.02 -0.82 1.93 -1.35 -0.92 0.00 0.00 175.35 174.21 3gfn h PRO 56 N 1.25 0.48 -0.43 -1.68 0.11 -1.86 -0.37 132.00 129.51 3gfn h PRO 56 Ca -0.50 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 3gfn h PRO 56 Cb 1.26 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3gfn h PRO 56 CO 0.57 0.32 0.20 0.93 -0.21 0.00 0.00 178.00 179.81 3gfn h GLU 57 N 0.49 0.60 -0.17 1.05 3.07 -1.92 -0.46 114.58 117.25 3gfn h GLU 57 Ca 0.35 -0.07 -0.15 0.00 -0.50 0.00 0.00 59.36 58.98 3gfn h GLU 57 Cb 0.67 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 3gfn h GLU 57 CO -0.12 0.48 -0.50 1.15 -1.40 0.00 0.00 179.01 178.62 3gfn h THR 58 N 0.61 1.33 -0.37 1.13 2.02 -1.47 -0.72 112.91 115.43 3gfn h THR 58 Ca 0.15 -1.75 0.06 0.00 0.77 0.00 0.00 66.41 65.64 3gfn h THR 58 Cb 0.08 1.97 -0.06 0.00 -1.74 0.00 0.00 68.15 68.41 3gfn h THR 58 CO -0.02 0.54 0.03 0.58 0.37 0.00 0.00 175.52 177.02 3gfn h VAL 59 N 0.30 0.76 -0.50 3.16 2.07 -0.88 -1.39 116.25 119.77 3gfn h VAL 59 Ca -0.02 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 3gfn h VAL 59 Cb 1.12 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3gfn h VAL 59 CO 0.11 0.03 0.16 -0.09 0.02 0.00 0.00 177.57 177.79 3gfn h ARG 60 N 0.14 0.73 0.00 1.57 9.65 -0.98 -2.59 114.38 122.90 3gfn h ARG 60 Ca 0.18 -0.12 -0.07 0.00 -1.10 0.00 0.00 59.98 58.87 3gfn h ARG 60 Cb 0.24 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 3gfn h ARG 60 CO -0.27 0.64 -0.33 0.00 2.80 0.00 0.00 179.97 182.80 3gfn h ALA 61 N 1.46 1.24 0.00 2.80 0.00 -0.09 0.08 119.26 124.75 3gfn h ALA 61 Ca 0.17 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3gfn h ALA 61 Cb 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3gfn h ALA 61 CO -0.01 0.41 0.00 0.25 0.00 0.00 0.00 179.25 179.90 3gfn n THR 62 N -3.84 0.83 0.00 0.00 -2.24 -0.73 -4.89 114.28 103.41 3gfn n THR 62 Ca -0.01 0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 3gfn n THR 62 Cb 0.41 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 3gfn n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gfn n GLY 63 N 0.14 0.81 3.77 3.38 0.00 0.01 -4.67 105.19 108.63 3gfn n GLY 63 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3gfn n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gfn s ALA 64 N -2.00 3.60 -0.15 4.61 0.00 -1.20 -4.91 121.76 121.71 3gfn s ALA 64 Ca 0.00 1.47 0.20 0.00 0.00 0.00 0.00 51.96 53.63 3gfn s ALA 64 Cb 0.00 -3.58 -0.29 0.00 0.00 0.00 0.00 23.12 19.25 3gfn s ALA 64 CO 0.00 -0.91 0.49 -0.25 0.00 0.00 0.00 175.76 175.09 3gfn n ASP 65 N 1.11 0.53 -3.61 0.00 8.00 -1.26 -4.61 116.55 116.71 3gfn n ASP 65 Ca 0.03 -0.13 -0.16 0.00 0.71 0.00 0.00 54.79 55.24 3gfn n ASP 65 Cb 0.40 1.78 -0.07 0.00 -0.02 0.00 0.00 41.12 43.21 3gfn n ASP 65 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3gfn s ILE 66 N -3.30 0.01 0.29 0.53 2.07 -1.26 -4.04 121.20 115.50 3gfn s ILE 66 Ca -0.05 -0.06 0.10 0.00 -1.41 0.00 0.00 60.65 59.22 3gfn s ILE 66 Cb 0.13 -0.90 -0.06 0.00 0.13 0.00 0.00 42.46 41.76 3gfn s ILE 66 CO 0.82 -0.03 -0.13 0.27 -1.91 0.00 0.00 174.94 173.95 3gfn s ILE 67 N -0.60 2.13 -0.13 2.00 -4.36 -1.16 -3.96 121.20 115.11 3gfn s ILE 67 Ca -0.07 -2.26 -0.03 0.00 -0.26 0.00 0.00 60.65 58.03 3gfn s ILE 67 Cb -0.02 -2.40 -0.03 0.00 1.25 0.00 0.00 42.46 41.26 3gfn s ILE 67 CO 0.06 -0.35 -0.03 -0.22 0.24 0.00 0.00 174.94 174.64 3gfn s LEU 68 N -3.50 3.34 -0.14 0.37 0.20 -0.12 -1.25 118.68 117.57 3gfn s LEU 68 Ca 0.30 -0.05 -0.03 0.00 0.69 0.00 0.00 54.13 55.04 3gfn s LEU 68 Cb -0.00 -1.79 -0.03 0.00 -0.43 0.00 0.00 46.19 43.94 3gfn s LEU 68 CO 0.14 0.24 -0.04 -0.83 -0.29 0.00 0.00 176.35 175.56 3gfn s GLY 69 N -0.03 1.71 -0.48 7.98 0.00 0.12 0.10 107.32 116.72 3gfn s GLY 69 Ca 0.02 -0.83 -0.29 0.00 0.00 0.00 0.00 44.72 43.62 3gfn s GLY 69 CO 0.02 -0.15 1.14 -1.31 0.00 0.00 0.00 173.10 172.80 3gfn s ASN 70 N 0.20 6.62 0.22 1.64 0.02 -0.96 -2.38 114.94 120.31 3gfn s ASN 70 Ca -0.02 0.44 -0.09 0.00 -1.02 0.00 0.00 52.86 52.16 3gfn s ASN 70 Cb -0.14 -2.55 0.18 0.00 0.02 0.00 0.00 41.25 38.77 3gfn s ASN 70 CO 0.03 -1.27 1.89 0.74 0.02 0.00 0.00 177.10 178.51 3gfn h THR 71 N 6.23 1.22 -0.29 1.60 2.02 -1.93 -3.14 112.91 118.63 3gfn h THR 71 Ca -0.23 -0.42 0.06 0.00 0.77 0.00 0.00 66.41 66.58 3gfn h THR 71 Cb 1.06 0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 3gfn h THR 71 CO 1.13 0.22 -0.04 0.22 0.37 0.00 0.00 175.52 177.41 3gfn h TYR 72 N 1.12 -0.10 -0.01 3.16 3.20 -1.89 0.39 116.97 122.84 3gfn h TYR 72 Ca 0.30 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.20 3gfn h TYR 72 Cb -0.10 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.25 3gfn h TYR 72 CO -0.01 -0.10 -0.00 0.45 -1.64 0.00 0.00 178.16 176.86 3gfn h HIS 73 N 0.03 -0.01 -0.08 -3.82 -0.00 -1.90 -2.77 115.15 106.60 3gfn h HIS 73 Ca 0.14 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.42 3gfn h HIS 73 Cb 0.20 0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.61 3gfn h HIS 73 CO -0.26 -0.01 -0.38 -0.07 -0.00 0.00 0.00 177.93 177.22 3gfn h LEU 74 N -0.00 0.18 -0.91 2.43 3.38 -1.38 0.95 115.31 119.96 3gfn h LEU 74 Ca 0.01 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3gfn h LEU 74 Cb 0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3gfn h LEU 74 CO -0.01 0.55 -0.22 0.00 0.09 0.00 0.00 178.44 178.84 3gfn h MET 75 N 0.15 0.00 0.00 1.13 -0.00 -0.07 0.20 114.93 116.33 3gfn h MET 75 Ca 0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.66 3gfn h MET 75 Cb 0.75 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.34 3gfn h MET 75 CO 0.06 0.22 -0.30 -0.07 -0.00 0.00 0.00 176.91 176.82 3gfn h LEU 76 N 0.00 0.00 -7.28 -0.10 3.38 -1.07 -3.36 115.31 106.89 3gfn h LEU 76 Ca -0.00 -0.74 -0.14 0.00 0.09 0.00 0.00 57.88 57.09 3gfn h LEU 76 Cb 0.83 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.31 3gfn h LEU 76 CO 0.03 1.04 -0.35 -0.13 0.09 0.00 0.00 178.44 179.12 3gfn s ARG 77 N -2.18 0.35 0.00 1.13 0.52 0.25 -3.94 118.95 115.08 3gfn s ARG 77 Ca -0.19 0.67 0.29 0.00 -0.52 0.00 0.00 55.73 55.99 3gfn s ARG 77 Cb -0.00 -0.02 1.50 0.00 0.52 0.00 0.00 34.95 36.95 3gfn s ARG 77 CO 0.57 -0.14 2.03 -0.35 0.02 0.00 0.00 175.30 177.42 3gfn n PRO 78 N 4.04 0.44 0.00 3.54 -0.05 -1.23 -3.92 135.00 137.83 3gfn n PRO 78 Ca -0.22 0.01 0.00 0.00 -0.05 0.00 0.00 63.50 63.24 3gfn n PRO 78 Cb 0.55 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.50 3gfn n PRO 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3gfn n GLY 79 N 1.19 2.38 0.19 0.55 0.00 0.68 -4.64 105.19 105.54 3gfn n GLY 79 Ca 0.14 -1.43 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 3gfn n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gfn h ALA 80 N 0.00 0.44 -0.44 4.61 0.00 -1.75 -1.83 119.26 120.29 3gfn h ALA 80 Ca 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.67 3gfn h ALA 80 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3gfn h ALA 80 CO 0.00 0.21 0.28 0.93 0.00 0.00 0.00 179.25 180.67 3gfn h GLU 81 N 0.38 0.55 -0.46 0.00 3.07 -1.92 -0.71 114.58 115.49 3gfn h GLU 81 Ca 0.09 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3gfn h GLU 81 Cb 0.48 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.24 3gfn h GLU 81 CO 0.02 0.36 0.28 -0.09 -1.40 0.00 0.00 179.01 178.18 3gfn h ARG 82 N 0.57 0.62 -0.67 2.33 2.43 -1.78 -1.11 114.38 116.78 3gfn h ARG 82 Ca 0.17 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3gfn h ARG 82 Cb -0.04 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 3gfn h ARG 82 CO -0.05 0.46 0.37 0.82 -1.51 0.00 0.00 179.97 180.05 3gfn h ILE 83 N 0.61 1.21 -0.89 1.20 2.04 -1.12 0.49 117.51 121.04 3gfn h ILE 83 Ca 0.16 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 3gfn h ILE 83 Cb -0.01 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.37 3gfn h ILE 83 CO -0.03 0.22 0.49 0.00 0.00 0.00 0.00 178.15 178.84 3gfn h ALA 84 N 1.18 1.18 -0.78 1.87 0.00 -0.83 0.11 119.26 122.00 3gfn h ALA 84 Ca 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3gfn h ALA 84 Cb 0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 3gfn h ALA 84 CO -0.04 0.66 0.44 1.57 0.00 0.00 0.00 179.25 181.88 3gfn h LYS 85 N 1.25 1.07 -0.00 0.00 -0.00 -0.69 -1.01 116.57 117.19 3gfn h LYS 85 Ca 0.31 -0.11 0.00 0.00 -0.00 0.00 0.00 60.65 60.86 3gfn h LYS 85 Cb 0.02 -0.22 0.00 0.00 -0.00 0.00 0.00 32.23 32.04 3gfn h LYS 85 CO -0.05 0.77 0.00 1.28 -0.00 0.00 0.00 179.45 181.45 3gfn n LEU 86 N -4.36 0.02 0.00 7.07 7.99 0.12 -4.85 117.00 122.98 3gfn n LEU 86 Ca 0.08 -0.01 0.00 0.00 -0.01 0.00 0.00 56.01 56.07 3gfn n LEU 86 Cb 0.08 -0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.39 3gfn n LEU 86 CO 0.38 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.87 3gfn n GLY 87 N 0.84 0.99 0.00 -0.72 0.00 -0.38 -4.72 105.19 101.20 3gfn n GLY 87 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3gfn n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gfn n GLY 88 N -0.45 1.14 0.25 -0.02 0.00 0.31 -4.45 105.19 101.97 3gfn n GLY 88 Ca 0.00 -1.87 -0.04 0.00 0.00 0.00 0.00 46.02 44.12 3gfn n GLY 88 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3gfn h LEU 89 N 0.00 0.57 0.01 0.99 5.85 -1.19 -1.46 115.31 120.09 3gfn h LEU 89 Ca 0.00 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 3gfn h LEU 89 Cb 0.00 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.88 3gfn h LEU 89 CO 0.00 0.76 -0.00 0.45 -0.34 0.00 0.00 178.44 179.30 3gfn h HIS 90 N 0.53 -0.01 -0.37 1.25 3.86 -1.78 -0.53 115.15 118.10 3gfn h HIS 90 Ca 0.09 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 3gfn h HIS 90 Cb 0.59 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.04 3gfn h HIS 90 CO 0.02 0.02 0.11 1.03 0.86 0.00 0.00 177.93 179.97 3gfn h SER 91 N -0.04 0.55 -0.06 2.45 0.87 -1.75 -0.16 113.55 115.41 3gfn h SER 91 Ca -0.00 -0.22 0.04 0.00 -1.23 0.00 0.00 61.79 60.38 3gfn h SER 91 Cb 0.04 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 61.80 3gfn h SER 91 CO 0.00 0.62 -0.30 0.15 -0.53 0.00 0.00 176.83 176.77 3gfn h PHE 92 N 0.45 -0.83 -0.01 2.24 3.57 -0.94 -2.95 116.94 118.48 3gfn h PHE 92 Ca 0.12 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3gfn h PHE 92 Cb 0.28 0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.39 3gfn h PHE 92 CO 0.01 -0.39 -0.39 0.00 -2.23 0.00 0.00 178.31 175.31 3gfn n MET 93 N -5.40 0.82 -2.22 1.11 0.00 -0.24 -4.97 117.12 106.22 3gfn n MET 93 Ca -0.04 -0.57 -0.02 0.00 0.00 0.00 0.00 57.70 57.08 3gfn n MET 93 Cb 0.32 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 32.05 3gfn n MET 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3gfn n GLY 94 N 1.39 0.50 3.10 3.17 0.00 -0.12 -4.77 105.19 108.45 3gfn n GLY 94 Ca 0.10 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 3gfn n GLY 94 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3gfn s TRP 95 N -2.41 3.03 -2.90 1.61 -0.11 -0.91 -4.72 118.94 112.52 3gfn s TRP 95 Ca 0.02 -1.99 0.24 0.00 1.22 0.00 0.00 56.10 55.59 3gfn s TRP 95 Cb -0.01 -1.93 0.28 0.00 -1.50 0.00 0.00 33.47 30.31 3gfn s TRP 95 CO 0.02 -0.84 1.31 -0.40 -4.62 0.00 0.00 176.95 172.42 3gfn n ASP 96 N 4.53 2.94 -4.78 5.86 5.68 -1.26 -4.46 116.55 125.06 3gfn n ASP 96 Ca -0.17 -1.96 -0.22 0.00 -0.50 0.00 0.00 54.79 51.93 3gfn n ASP 96 Cb 0.46 -0.03 0.10 0.00 -1.14 0.00 0.00 41.12 40.51 3gfn n ASP 96 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 3gfn s ARG 97 N -1.94 1.80 0.70 0.11 0.52 -1.26 -4.86 118.95 114.02 3gfn s ARG 97 Ca 0.30 -1.40 -0.17 0.00 -0.52 0.00 0.00 55.73 53.94 3gfn s ARG 97 Cb 0.20 -2.44 0.01 0.00 0.52 0.00 0.00 34.95 33.25 3gfn s ARG 97 CO 0.30 -1.32 1.20 -2.30 0.02 0.00 0.00 175.30 173.20 3gfn n PRO 98 N -2.67 0.78 -4.26 3.54 -0.02 -1.26 -4.94 135.00 126.18 3gfn n PRO 98 Ca 0.17 0.33 -0.23 0.00 -2.02 0.00 0.00 63.50 61.74 3gfn n PRO 98 Cb 0.61 -2.44 -0.17 0.00 -0.02 0.00 0.00 33.50 31.49 3gfn n PRO 98 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gfn s ILE 99 N -1.64 0.81 -0.13 4.25 1.01 -1.26 -2.97 121.20 121.27 3gfn s ILE 99 Ca 0.79 -0.26 -0.15 0.00 0.00 0.00 0.00 60.65 61.03 3gfn s ILE 99 Cb -0.36 -0.80 -0.05 0.00 0.01 0.00 0.00 42.46 41.27 3gfn s ILE 99 CO 0.45 0.29 0.35 -0.22 0.00 0.00 0.00 174.94 175.81 3gfn s LEU 100 N 1.00 4.29 -0.07 2.97 0.20 -0.38 -1.02 118.68 125.67 3gfn s LEU 100 Ca -0.09 0.64 0.01 0.00 0.69 0.00 0.00 54.13 55.38 3gfn s LEU 100 Cb -0.14 -2.47 -0.03 0.00 -0.43 0.00 0.00 46.19 43.11 3gfn s LEU 100 CO -0.00 0.11 -0.07 0.42 -0.29 0.00 0.00 176.35 176.52 3gfn s THR 101 N 0.26 3.66 0.88 3.68 -4.23 -0.23 0.16 115.64 119.82 3gfn s THR 101 Ca 0.20 -0.50 -0.13 0.00 -1.18 0.00 0.00 61.69 60.08 3gfn s THR 101 Cb -0.14 -2.49 0.15 0.00 1.34 0.00 0.00 72.50 71.36 3gfn s THR 101 CO 0.07 0.60 1.23 1.51 -0.54 0.00 0.00 174.62 177.48 3gfn s ASP 102 N -0.82 3.71 0.14 3.99 1.47 -1.00 -3.08 116.67 121.09 3gfn s ASP 102 Ca 0.12 0.35 0.25 0.00 1.18 0.00 0.00 52.55 54.45 3gfn s ASP 102 Cb -0.11 -0.59 0.54 0.00 -0.34 0.00 0.00 42.92 42.43 3gfn s ASP 102 CO 0.01 -2.35 1.50 -1.54 0.68 0.00 0.00 175.17 173.47 3gfn n SER 103 N -3.50 0.71 0.00 2.11 3.41 -1.26 -4.26 113.62 110.83 3gfn n SER 103 Ca 0.13 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 3gfn n SER 103 Cb 0.60 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 3gfn n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gfn n GLY 104 N 1.34 1.95 0.16 5.00 0.00 -1.26 -4.78 105.19 107.60 3gfn n GLY 104 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 3gfn n GLY 104 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gfn h GLY 105 N 0.00 0.00 1.32 -0.02 0.00 -1.91 -3.00 103.07 99.45 3gfn h GLY 105 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 3gfn h GLY 105 CO 0.00 0.00 -0.15 -1.82 0.00 0.00 0.00 176.54 174.57 3gfn h TYR 106 N 0.00 0.89 0.00 5.60 3.20 -1.92 -2.35 116.97 122.39 3gfn h TYR 106 Ca -0.01 -0.18 -0.16 0.00 3.14 0.00 0.00 58.73 61.53 3gfn h TYR 106 Cb 1.03 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.06 3gfn h TYR 106 CO 0.00 0.90 -0.74 1.96 -1.64 0.00 0.00 178.16 178.64 3gfn h GLN 107 N 0.71 0.00 0.54 1.82 7.50 -2.00 -3.22 115.11 120.46 3gfn h GLN 107 Ca 0.11 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.24 3gfn h GLN 107 Cb 0.65 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.19 3gfn h GLN 107 CO 0.05 0.74 -0.29 0.28 -1.50 0.00 0.00 178.83 178.11 3gfn h VAL 108 N 0.00 0.41 -2.35 -0.54 2.07 -1.37 -3.53 116.25 110.95 3gfn h VAL 108 Ca -0.01 0.00 -0.54 0.00 0.82 0.00 0.00 66.70 66.97 3gfn h VAL 108 Cb 1.53 0.41 0.03 0.00 -1.52 0.00 0.00 31.29 31.74 3gfn h VAL 108 CO 0.10 0.00 1.18 0.23 0.02 0.00 0.00 177.57 179.09 3gfn n MET 109 N -5.43 2.75 0.00 1.57 2.81 -0.90 -5.12 117.12 112.80 3gfn n MET 109 Ca -0.12 1.01 0.00 0.00 -1.81 0.00 0.00 57.70 56.77 3gfn n MET 109 Cb 0.33 -2.93 0.00 0.00 -0.71 0.00 0.00 33.22 29.91 3gfn n MET 109 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3gfn n GLN 117 N 6.81 0.00 -4.32 0.03 1.13 -1.26 -5.01 117.38 114.76 3gfn n GLN 117 Ca 0.20 0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 55.07 3gfn n GLN 117 Cb 0.38 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.64 3gfn n GLN 117 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3gfn s SER 118 N 0.00 1.54 0.58 1.08 1.04 -0.38 -5.02 113.70 112.54 3gfn s SER 118 Ca 0.00 -1.61 0.32 0.00 0.48 0.00 0.00 55.95 55.14 3gfn s SER 118 Cb 0.00 0.45 1.80 0.00 0.10 0.00 0.00 66.02 68.37 3gfn s SER 118 CO 0.00 -0.94 2.20 -0.08 0.98 0.00 0.00 173.24 175.40 3gfn h GLU 119 N 2.20 0.00 -0.14 4.02 4.57 -2.03 -1.89 114.58 121.30 3gfn h GLU 119 Ca -0.31 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 57.71 3gfn h GLU 119 Cb 1.25 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.83 3gfn h GLU 119 CO 0.47 0.04 -0.57 0.93 -1.18 0.00 0.00 179.01 178.70 3gfn h GLU 120 N 0.00 0.45 0.00 1.92 3.07 -1.98 -3.49 114.58 114.54 3gfn h GLU 120 Ca -0.00 -0.29 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 3gfn h GLU 120 Cb 0.15 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 3gfn h GLU 120 CO 0.01 0.90 0.00 0.41 -1.40 0.00 0.00 179.01 178.92 3gfn n GLY 121 N 0.27 0.11 3.10 -3.84 0.00 -0.71 -4.40 105.19 99.70 3gfn n GLY 121 Ca -0.03 -1.14 -0.22 0.00 0.00 0.00 0.00 46.02 44.63 3gfn n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gfn s VAL 122 N -4.00 1.06 0.06 1.61 0.11 0.38 -1.25 120.40 118.37 3gfn s VAL 122 Ca 0.00 -0.60 0.07 0.00 -2.93 0.00 0.00 61.98 58.52 3gfn s VAL 122 Cb 0.00 -0.89 -0.03 0.00 -1.53 0.00 0.00 36.38 33.93 3gfn s VAL 122 CO 0.00 0.28 -0.17 0.28 -3.33 0.00 0.00 175.10 172.16 3gfn s THR 123 N -0.35 2.87 0.00 5.04 -1.32 -1.26 0.19 115.64 120.81 3gfn s THR 123 Ca 0.05 -1.25 0.00 0.00 -1.21 0.00 0.00 61.69 59.28 3gfn s THR 123 Cb -0.05 -2.25 0.00 0.00 -1.51 0.00 0.00 72.50 68.69 3gfn s THR 123 CO -0.00 0.27 0.00 2.22 -2.21 0.00 0.00 174.62 174.89 3gfn n PHE 124 N 1.31 0.00 -3.64 9.09 -1.74 -1.26 -4.64 117.46 116.58 3gfn n PHE 124 Ca -0.16 0.00 -0.37 0.00 -0.56 0.00 0.00 57.45 56.36 3gfn n PHE 124 Cb 0.52 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.43 3gfn n PHE 124 CO 0.00 0.00 0.00 -1.64 -0.56 0.00 0.00 176.76 174.56 3gfn s MET 134 N -0.14 4.06 -0.06 3.97 1.00 -1.24 -5.25 119.30 121.63 3gfn s MET 134 Ca 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 55.69 55.43 3gfn s MET 134 Cb 0.00 -3.55 0.03 0.00 0.00 0.00 0.00 34.83 31.30 3gfn s MET 134 CO 0.00 0.03 -0.02 -1.17 0.00 0.00 0.00 175.02 173.86 3gfn s LEU 135 N 1.14 0.88 0.32 -0.03 2.96 0.49 -4.97 118.68 119.48 3gfn s LEU 135 Ca 0.08 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.91 3gfn s LEU 135 Cb -0.14 -0.46 -0.06 0.00 0.50 0.00 0.00 46.19 46.03 3gfn s LEU 135 CO 0.05 -0.14 0.08 -0.94 -1.32 0.00 0.00 176.35 174.08 3gfn s SER 136 N 1.59 2.17 0.24 3.68 1.04 -1.26 0.14 113.70 121.29 3gfn s SER 136 Ca -0.01 -1.42 -0.06 0.00 0.48 0.00 0.00 55.95 54.95 3gfn s SER 136 Cb -0.13 0.05 0.45 0.00 0.10 0.00 0.00 66.02 66.48 3gfn s SER 136 CO -0.04 -0.68 1.68 -0.65 0.98 0.00 0.00 173.24 174.53 3gfn h PRO 137 N 2.13 0.22 -0.37 4.02 0.11 -1.89 -0.24 132.00 135.99 3gfn h PRO 137 Ca -0.39 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.68 3gfn h PRO 137 Cb 1.25 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3gfn h PRO 137 CO 0.66 0.15 0.15 0.93 -0.21 0.00 0.00 178.00 179.67 3gfn h GLU 138 N 0.23 0.55 -0.16 1.05 3.07 -1.92 -1.36 114.58 116.04 3gfn h GLU 138 Ca 0.41 -0.10 -0.16 0.00 -0.50 0.00 0.00 59.36 59.00 3gfn h GLU 138 Cb 0.70 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 3gfn h GLU 138 CO -0.53 0.53 -0.58 -0.09 -1.40 0.00 0.00 179.01 176.94 3gfn h ARG 139 N 0.45 0.51 -0.16 2.33 9.65 -1.86 -0.87 114.38 124.42 3gfn h ARG 139 Ca 0.12 -0.34 -0.01 0.00 -1.10 0.00 0.00 59.98 58.66 3gfn h ARG 139 Cb 0.19 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.81 3gfn h ARG 139 CO -0.01 0.95 0.07 1.03 2.80 0.00 0.00 179.97 184.80 3gfn h SER 140 N 0.38 0.23 -0.70 -3.80 0.87 -0.87 0.42 113.55 110.08 3gfn h SER 140 Ca 0.00 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 3gfn h SER 140 Cb 1.12 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.99 3gfn h SER 140 CO 0.11 0.32 0.39 0.40 -0.53 0.00 0.00 176.83 177.52 3gfn h ILE 141 N 0.12 1.21 -0.31 2.23 1.08 -1.14 -1.46 117.51 119.24 3gfn h ILE 141 Ca 0.06 -0.53 -0.18 0.00 -0.39 0.00 0.00 64.86 63.81 3gfn h ILE 141 Cb 0.16 0.25 -0.00 0.00 -3.07 0.00 0.00 36.82 34.16 3gfn h ILE 141 CO -0.00 0.24 -0.51 -0.08 -0.69 0.00 0.00 178.15 177.10 3gfn h GLU 142 N 1.00 0.90 -0.62 2.37 4.81 -0.50 -0.73 114.58 121.81 3gfn h GLU 142 Ca 0.25 -0.55 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 3gfn h GLU 142 Cb 0.03 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 3gfn h GLU 142 CO -0.04 1.19 0.32 0.82 -0.73 0.00 0.00 179.01 180.57 3gfn h ILE 143 N 0.70 1.21 -0.39 2.32 2.04 0.19 0.01 117.51 123.59 3gfn h ILE 143 Ca 0.03 -0.56 -0.05 0.00 1.00 0.00 0.00 64.86 65.28 3gfn h ILE 143 Cb 1.12 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 3gfn h ILE 143 CO 0.12 0.23 0.02 1.56 0.00 0.00 0.00 178.15 180.08 3gfn h GLN 144 N 0.84 0.61 0.00 2.37 4.20 -1.13 -0.33 115.11 121.68 3gfn h GLN 144 Ca 0.21 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 3gfn h GLN 144 Cb 0.08 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3gfn h GLN 144 CO -0.03 0.61 -0.00 1.25 -0.67 0.00 0.00 178.83 179.99 3gfn h HIS 145 N 0.58 -0.00 -0.93 2.96 2.76 -0.76 -1.76 115.15 117.99 3gfn h HIS 145 Ca 0.12 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.37 3gfn h HIS 145 Cb 0.34 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.24 3gfn h HIS 145 CO 0.01 0.04 0.60 -0.07 -1.30 0.00 0.00 177.93 177.22 3gfn h LEU 146 N -0.05 0.93 -1.23 0.26 3.38 -0.47 -0.99 115.31 117.13 3gfn h LEU 146 Ca -0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3gfn h LEU 146 Cb 0.05 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3gfn h LEU 146 CO 0.00 0.58 -0.15 -0.07 0.09 0.00 0.00 178.44 178.90 3gfn h LEU 147 N 1.04 0.00 0.00 1.67 3.38 -0.89 -3.31 115.31 117.20 3gfn h LEU 147 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 3gfn h LEU 147 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3gfn h LEU 147 CO -0.16 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.12 3gfn n GLY 148 N 0.10 0.60 3.66 0.83 0.00 -0.38 -0.74 105.19 109.26 3gfn n GLY 148 Ca 0.00 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 3gfn n GLY 148 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gfn n SER 149 N 1.64 1.99 0.07 1.61 2.88 -0.90 -4.89 113.62 116.03 3gfn n SER 149 Ca 0.00 1.09 -0.22 0.00 -1.33 0.00 0.00 58.87 58.40 3gfn n SER 149 Cb 0.27 -1.43 -0.15 0.00 -0.75 0.00 0.00 64.21 62.15 3gfn n SER 149 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3gfn h ASP 150 N 1.88 0.60 -3.43 -3.46 5.19 -1.43 -3.44 116.42 112.32 3gfn h ASP 150 Ca -0.46 -0.89 -0.67 0.00 -0.62 0.00 0.00 57.03 54.39 3gfn h ASP 150 Cb 1.31 -0.19 -0.36 0.00 0.18 0.00 0.00 39.33 40.27 3gfn h ASP 150 CO 0.59 1.75 -0.83 -0.63 -3.12 0.00 0.00 179.24 176.99 3gfn s ILE 151 N -2.58 2.12 -0.17 0.35 1.01 -0.93 -0.05 121.20 120.94 3gfn s ILE 151 Ca -0.15 -1.26 -0.14 0.00 0.00 0.00 0.00 60.65 59.11 3gfn s ILE 151 Cb 0.06 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.43 3gfn s ILE 151 CO 0.86 0.28 0.29 -0.69 0.00 0.00 0.00 174.94 175.68 3gfn s VAL 152 N 1.20 5.30 -0.07 2.92 1.01 0.25 -1.07 120.40 129.95 3gfn s VAL 152 Ca -0.01 0.53 -0.16 0.00 0.00 0.00 0.00 61.98 62.34 3gfn s VAL 152 Cb -0.16 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 3gfn s VAL 152 CO -0.09 0.37 0.42 -0.04 0.00 0.00 0.00 175.10 175.76 3gfn s MET 153 N 0.61 4.15 0.58 2.72 1.00 -1.18 -1.29 119.30 125.91 3gfn s MET 153 Ca 0.16 0.38 -0.20 0.00 0.00 0.00 0.00 55.69 56.02 3gfn s MET 153 Cb -0.13 -3.34 -0.03 0.00 0.00 0.00 0.00 34.83 31.32 3gfn s MET 153 CO 0.04 0.39 1.33 0.00 0.00 0.00 0.00 175.02 176.79 3gfn s ALA 154 N -0.11 2.66 -0.20 3.03 0.00 -0.41 -4.43 121.76 122.29 3gfn s ALA 154 Ca 0.23 1.28 -0.28 0.00 0.00 0.00 0.00 51.96 53.20 3gfn s ALA 154 Cb -0.15 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.41 3gfn s ALA 154 CO 0.11 -1.45 0.97 0.12 0.00 0.00 0.00 175.76 175.51 3gfn s PHE 155 N -1.34 3.37 0.21 0.00 2.19 -1.26 -4.72 117.98 116.43 3gfn s PHE 155 Ca 0.76 1.41 0.02 0.00 0.33 0.00 0.00 56.93 59.44 3gfn s PHE 155 Cb -0.39 -3.19 -0.01 0.00 -1.31 0.00 0.00 43.02 38.13 3gfn s PHE 155 CO 0.44 -0.39 0.06 -0.40 1.83 0.00 0.00 175.22 176.76 3gfn n ASP 156 N 5.91 1.38 -3.94 6.13 5.75 -1.26 -4.33 116.55 126.20 3gfn n ASP 156 Ca 0.09 -2.07 -0.31 0.00 -0.01 0.00 0.00 54.79 52.50 3gfn n ASP 156 Cb 0.47 0.45 -0.15 0.00 -1.03 0.00 0.00 41.12 40.85 3gfn n ASP 156 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3gfn s GLU 157 N -2.79 1.46 0.49 0.11 2.12 -1.26 -4.88 118.70 113.95 3gfn s GLU 157 Ca 0.08 -1.33 -0.23 0.00 0.36 0.00 0.00 54.97 53.85 3gfn s GLU 157 Cb 0.00 -2.70 -0.06 0.00 0.26 0.00 0.00 34.13 31.63 3gfn s GLU 157 CO 0.06 -0.78 1.31 0.00 -0.54 0.00 0.00 175.26 175.30 3gfn s THR 159 N -1.35 4.85 0.66 0.00 2.01 -1.26 -5.07 115.64 115.48 3gfn s THR 159 Ca 0.66 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 62.49 3gfn s THR 159 Cb -0.37 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 3gfn s THR 159 CO 0.45 0.37 0.91 -2.65 -0.69 0.00 0.00 174.62 173.02 3gfn n PRO 160 N 4.30 0.68 -4.68 4.92 -0.02 -1.26 -4.91 135.00 134.03 3gfn n PRO 160 Ca -0.16 0.28 -0.33 0.00 -2.02 0.00 0.00 63.50 61.27 3gfn n PRO 160 Cb 0.52 -2.15 -0.14 0.00 -0.02 0.00 0.00 33.50 31.71 3gfn n PRO 160 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3gfn s TYR 161 N -1.66 2.85 0.55 6.00 5.04 -1.26 -3.37 117.35 125.50 3gfn s TYR 161 Ca 0.74 -0.61 -0.08 0.00 -2.44 0.00 0.00 57.07 54.68 3gfn s TYR 161 Cb -0.38 -1.87 -0.03 0.00 0.35 0.00 0.00 41.96 40.02 3gfn s TYR 161 CO 0.49 -0.20 0.91 -1.25 -1.34 0.00 0.00 175.55 174.15 3gfn s PRO 162 N 0.40 3.49 0.02 4.97 0.04 -1.26 -4.96 135.00 137.71 3gfn s PRO 162 Ca -0.09 0.42 0.05 0.00 0.04 0.00 0.00 61.00 61.41 3gfn s PRO 162 Cb -0.16 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 3gfn s PRO 162 CO 0.05 -0.42 -0.14 0.00 0.04 0.00 0.00 177.00 176.53 3gfn s ALA 163 N -2.96 1.17 0.69 8.56 0.00 -1.22 -5.11 121.76 122.89 3gfn s ALA 163 Ca 0.51 -0.74 -0.11 0.00 0.00 0.00 0.00 51.96 51.62 3gfn s ALA 163 Cb -0.11 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.80 3gfn s ALA 163 CO 0.49 0.25 1.06 0.95 0.00 0.00 0.00 175.76 178.51 3gfn s THR 164 N -0.64 3.90 0.32 0.00 -4.23 -1.26 -4.80 115.64 108.92 3gfn s THR 164 Ca 0.03 0.65 0.06 0.00 -1.18 0.00 0.00 61.69 61.25 3gfn s THR 164 Cb -0.07 -3.33 0.30 0.00 1.34 0.00 0.00 72.50 70.75 3gfn s THR 164 CO 0.01 -0.77 1.84 -0.65 -0.54 0.00 0.00 174.62 174.51 3gfn h PRO 165 N -0.62 0.80 -0.19 3.99 0.11 -2.00 -0.41 132.00 133.69 3gfn h PRO 165 Ca -0.44 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3gfn h PRO 165 Cb 1.21 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3gfn h PRO 165 CO 0.56 0.53 0.01 1.03 -0.21 0.00 0.00 178.00 179.92 3gfn h SER 166 N 0.82 0.32 -0.48 -2.05 0.87 -1.99 -1.08 113.55 109.96 3gfn h SER 166 Ca 0.49 -0.30 -0.13 0.00 -1.23 0.00 0.00 61.79 60.62 3gfn h SER 166 Cb 0.66 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 3gfn h SER 166 CO -0.25 0.54 -0.21 0.03 -0.53 0.00 0.00 176.83 176.40 3gfn h ARG 167 N 0.09 0.99 -0.70 2.24 -0.00 -1.90 -0.43 114.38 114.68 3gfn h ARG 167 Ca 0.05 -0.43 -0.03 0.00 -0.50 0.00 0.00 59.98 59.08 3gfn h ARG 167 Cb 0.37 -0.03 -0.03 0.00 0.00 0.00 0.00 29.97 30.28 3gfn h ARG 167 CO 0.01 1.10 0.32 0.00 0.00 0.00 0.00 179.97 181.41 3gfn h ALA 168 N 0.86 0.90 -0.18 0.04 0.00 -1.00 -1.41 119.26 118.48 3gfn h ALA 168 Ca 0.11 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3gfn h ALA 168 Cb 0.80 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3gfn h ALA 168 CO 0.07 0.47 -0.09 0.00 0.00 0.00 0.00 179.25 179.70 3gfn h ALA 169 N 1.15 0.25 -0.52 0.00 0.00 -0.92 -1.07 119.26 118.16 3gfn h ALA 169 Ca 0.24 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3gfn h ALA 169 Cb 0.14 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3gfn h ALA 169 CO -0.03 0.07 0.30 0.77 0.00 0.00 0.00 179.25 180.37 3gfn h SER 170 N 0.05 0.48 -0.49 0.00 0.02 -1.00 0.21 113.55 112.82 3gfn h SER 170 Ca 0.04 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 3gfn h SER 170 Cb 0.57 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 3gfn h SER 170 CO 0.03 0.34 0.09 -1.28 -1.14 0.00 0.00 176.83 174.86 3gfn h SER 171 N 0.60 0.78 -0.48 3.07 0.87 -1.25 -1.15 113.55 115.99 3gfn h SER 171 Ca 0.21 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 3gfn h SER 171 Cb 0.04 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 3gfn h SER 171 CO -0.10 0.83 0.27 -0.03 -0.53 0.00 0.00 176.83 177.27 3gfn h MET 172 N 0.69 0.67 -0.62 2.24 -1.53 -0.84 0.12 114.93 115.65 3gfn h MET 172 Ca 0.15 -0.07 -0.07 0.00 -3.44 0.00 0.00 59.70 56.27 3gfn h MET 172 Cb 0.38 -0.13 -0.03 0.00 -0.55 0.00 0.00 31.60 31.27 3gfn h MET 172 CO 0.01 0.51 0.12 0.93 0.14 0.00 0.00 176.91 178.62 3gfn h GLU 173 N 0.64 0.99 -0.46 0.39 5.08 -0.33 0.79 114.58 121.67 3gfn h GLU 173 Ca 0.17 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 3gfn h GLU 173 Cb 0.03 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3gfn h GLU 173 CO -0.03 0.90 -0.09 -0.09 -1.00 0.00 0.00 179.01 178.70 3gfn h ARG 174 N 0.94 0.88 -0.56 2.33 2.43 -0.89 -1.40 114.38 118.10 3gfn h ARG 174 Ca 0.19 -0.32 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 3gfn h ARG 174 Cb 0.38 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 3gfn h ARG 174 CO 0.01 0.97 0.28 0.77 -1.51 0.00 0.00 179.97 180.49 3gfn h SER 175 N 0.72 0.69 -0.08 -3.80 0.02 0.24 -0.30 113.55 111.04 3gfn h SER 175 Ca 0.12 -0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 60.88 3gfn h SER 175 Cb 0.62 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 3gfn h SER 175 CO 0.04 0.58 -0.38 0.24 -1.14 0.00 0.00 176.83 176.17 3gfn h MET 176 N 0.78 0.60 -0.50 3.45 2.86 -0.41 0.19 114.93 121.90 3gfn h MET 176 Ca 0.20 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3gfn h MET 176 Cb 0.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 3gfn h MET 176 CO -0.03 0.88 0.26 0.00 1.06 0.00 0.00 176.91 179.09 3gfn h ARG 177 N 0.50 0.70 -0.03 1.72 3.08 -0.64 -2.53 114.38 117.18 3gfn h ARG 177 Ca 0.05 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 3gfn h ARG 177 Cb 0.89 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 3gfn h ARG 177 CO 0.08 0.56 -0.27 -1.49 -1.07 0.00 0.00 179.97 177.78 3gfn h TRP 178 N 0.66 0.05 -0.62 3.04 4.06 -0.84 -2.10 115.95 120.21 3gfn h TRP 178 Ca 0.17 -0.01 -0.05 0.00 2.06 0.00 0.00 58.89 61.07 3gfn h TRP 178 Cb 0.07 -0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 28.19 3gfn h TRP 178 CO -0.01 0.32 0.20 0.00 -3.56 0.00 0.00 178.44 175.38 3gfn h ALA 179 N 1.68 0.81 -0.44 1.49 0.00 -0.26 0.24 119.26 122.77 3gfn h ALA 179 Ca 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3gfn h ALA 179 Cb 0.51 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3gfn h ALA 179 CO 0.04 0.47 0.18 -0.22 0.00 0.00 0.00 179.25 179.72 3gfn h LYS 180 N 0.88 0.66 -0.92 0.00 1.63 -1.13 -0.83 116.57 116.85 3gfn h LYS 180 Ca 0.20 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 3gfn h LYS 180 Cb 0.28 -0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 31.76 3gfn h LYS 180 CO -0.01 0.60 0.58 0.00 -3.45 0.00 0.00 179.45 177.18 3gfn h ARG 181 N 0.57 1.24 0.04 1.90 3.08 -1.14 0.08 114.38 120.14 3gfn h ARG 181 Ca 0.15 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3gfn h ARG 181 Cb 0.19 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3gfn h ARG 181 CO -0.01 0.84 -0.02 0.77 -1.07 0.00 0.00 179.97 180.48 3gfn h SER 182 N 1.26 -0.04 -0.31 7.04 0.02 -0.23 -0.65 113.55 120.64 3gfn h SER 182 Ca 0.34 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.31 3gfn h SER 182 Cb -0.10 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 3gfn h SER 182 CO -0.07 -0.02 0.09 -0.09 -1.14 0.00 0.00 176.83 175.60 3gfn h ARG 183 N -0.07 0.20 -0.30 3.45 9.65 -0.82 0.26 114.38 126.76 3gfn h ARG 183 Ca -0.01 -0.01 -0.13 0.00 -1.10 0.00 0.00 59.98 58.73 3gfn h ARG 183 Cb 0.05 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 3gfn h ARG 183 CO 0.01 0.13 -0.34 -0.44 2.80 0.00 0.00 179.97 182.13 3gfn h ASP 184 N 0.21 0.69 -0.25 -3.80 3.32 -0.90 -0.85 116.42 114.83 3gfn h ASP 184 Ca 0.14 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 3gfn h ASP 184 Cb 0.13 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3gfn h ASP 184 CO -0.16 0.97 0.11 0.00 -1.72 0.00 0.00 179.24 178.44 3gfn h ALA 185 N 1.07 0.33 -0.38 3.45 0.00 -0.74 -1.46 119.26 121.53 3gfn h ALA 185 Ca 0.06 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3gfn h ALA 185 Cb 0.85 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3gfn h ALA 185 CO 0.07 -0.08 0.23 0.35 0.00 0.00 0.00 179.25 179.82 3gfn h PHE 186 N 0.26 0.44 0.00 0.00 3.04 -0.79 -2.77 116.94 117.12 3gfn h PHE 186 Ca 0.09 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.02 3gfn h PHE 186 Cb 0.17 -0.14 -0.00 0.00 2.56 0.00 0.00 35.95 38.53 3gfn h PHE 186 CO -0.01 0.27 -0.15 -0.44 -2.02 0.00 0.00 178.31 175.96 3gfn h ASP 187 N 0.47 0.00 0.36 0.41 3.32 -1.01 -2.66 116.42 117.30 3gfn h ASP 187 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3gfn h ASP 187 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3gfn h ASP 187 CO -0.05 0.15 0.00 -1.20 -1.72 0.00 0.00 179.24 176.41 3gfn n SER 188 N -3.44 0.00 -4.05 6.45 7.64 -0.56 -4.49 113.62 115.17 3gfn n SER 188 Ca -0.01 -0.32 -0.33 0.00 1.01 0.00 0.00 58.87 59.23 3gfn n SER 188 Cb 0.32 -0.20 -0.14 0.00 -1.01 0.00 0.00 64.21 63.18 3gfn n SER 188 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3gfn s ARG 189 N -2.41 1.66 0.17 1.43 3.52 -1.00 -5.00 118.95 117.32 3gfn s ARG 189 Ca 0.30 -1.84 -0.15 0.00 -0.13 0.00 0.00 55.73 53.91 3gfn s ARG 189 Cb 0.18 -3.31 0.13 0.00 -1.56 0.00 0.00 34.95 30.40 3gfn s ARG 189 CO 0.38 -0.96 1.70 1.57 -0.81 0.00 0.00 175.30 177.18 3gfn h LYS 190 N 7.74 0.13 -0.86 5.12 2.10 -1.83 0.12 116.57 129.10 3gfn h LYS 190 Ca -0.07 -0.01 0.04 0.00 -2.00 0.00 0.00 60.65 58.61 3gfn h LYS 190 Cb 1.03 -0.03 -0.05 0.00 -0.90 0.00 0.00 32.23 32.27 3gfn h LYS 190 CO 0.57 0.09 0.54 1.05 -2.00 0.00 0.00 179.45 179.70 3gfn h GLU 191 N 0.14 1.00 -0.02 0.07 4.11 -1.94 0.15 114.58 118.09 3gfn h GLU 191 Ca 0.21 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.57 3gfn h GLU 191 Cb 0.29 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 3gfn h GLU 191 CO -0.33 0.66 -0.02 0.37 0.07 0.00 0.00 179.01 179.76 3gfn h GLN 192 N 1.03 0.04 -0.16 1.06 4.15 -1.52 -2.19 115.11 117.53 3gfn h GLN 192 Ca 0.35 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.77 3gfn h GLN 192 Cb 0.07 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 3gfn h GLN 192 CO -0.14 0.52 0.11 0.00 -1.93 0.00 0.00 178.83 177.39 3gfn h ALA 193 N 0.52 1.98 0.00 3.38 0.00 -0.52 0.09 119.26 124.71 3gfn h ALA 193 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3gfn h ALA 193 Cb 0.51 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3gfn h ALA 193 CO 0.00 -0.01 -0.63 0.93 0.00 0.00 0.00 179.25 179.55 3gfn h GLU 194 N 0.13 0.00 0.00 0.00 5.08 -0.60 -3.40 114.58 115.79 3gfn h GLU 194 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3gfn h GLU 194 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3gfn h GLU 194 CO -0.01 0.18 -0.70 0.09 -1.00 0.00 0.00 179.01 177.57 3gfn n ASN 195 N -2.99 3.52 -4.78 1.42 3.02 -0.83 -4.74 115.26 109.87 3gfn n ASN 195 Ca 0.00 -0.13 -0.25 0.00 -0.03 0.00 0.00 54.58 54.17 3gfn n ASN 195 Cb 0.64 0.97 -0.06 0.00 -0.61 0.00 0.00 39.78 40.72 3gfn n ASN 195 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gfn s ALA 196 N -1.67 3.79 0.24 5.41 0.00 -0.02 -4.77 121.76 124.74 3gfn s ALA 196 Ca 0.00 -1.88 0.11 0.00 0.00 0.00 0.00 51.96 50.19 3gfn s ALA 196 Cb 0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 3gfn s ALA 196 CO 0.00 -0.21 -0.21 0.00 0.00 0.00 0.00 175.76 175.34 3gfn s ALA 197 N -2.62 2.61 -0.11 0.00 0.00 0.93 -4.76 121.76 117.81 3gfn s ALA 197 Ca 0.39 -1.77 0.02 0.00 0.00 0.00 0.00 51.96 50.60 3gfn s ALA 197 Cb 0.02 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.88 3gfn s ALA 197 CO 0.22 0.32 -0.16 -1.17 0.00 0.00 0.00 175.76 174.97 3gfn s LEU 198 N -3.18 1.78 -0.07 0.00 0.20 -1.26 -0.58 118.68 115.57 3gfn s LEU 198 Ca 0.26 -0.45 0.01 0.00 0.69 0.00 0.00 54.13 54.64 3gfn s LEU 198 Cb -0.06 -1.14 -0.03 0.00 -0.43 0.00 0.00 46.19 44.53 3gfn s LEU 198 CO 0.13 0.03 -0.07 -0.36 -0.29 0.00 0.00 176.35 175.79 3gfn s PHE 199 N 0.94 2.94 0.17 5.38 0.40 -0.41 -0.74 117.98 126.66 3gfn s PHE 199 Ca -0.07 0.02 -0.00 0.00 -0.60 0.00 0.00 56.93 56.27 3gfn s PHE 199 Cb -0.15 -1.71 -0.04 0.00 0.51 0.00 0.00 43.02 41.62 3gfn s PHE 199 CO -0.01 0.33 0.35 0.20 0.70 0.00 0.00 175.22 176.79 3gfn s GLY 200 N -0.80 1.85 -0.15 4.36 0.00 -0.70 -1.29 107.32 110.60 3gfn s GLY 200 Ca 0.12 -0.85 0.02 0.00 0.00 0.00 0.00 44.72 44.02 3gfn s GLY 200 CO 0.01 -0.81 -0.22 -0.42 0.00 0.00 0.00 173.10 171.67 3gfn s ILE 201 N -1.79 2.07 0.17 0.90 1.01 -1.26 -0.95 121.20 121.34 3gfn s ILE 201 Ca 0.38 -0.97 -0.30 0.00 0.00 0.00 0.00 60.65 59.76 3gfn s ILE 201 Cb -0.11 -1.83 -0.07 0.00 0.01 0.00 0.00 42.46 40.45 3gfn s ILE 201 CO 0.28 0.55 0.96 -1.58 0.00 0.00 0.00 174.94 175.16 3gfn s GLN 202 N 0.91 4.76 0.09 2.79 0.74 0.09 -4.83 119.66 124.19 3gfn s GLN 202 Ca -0.05 1.49 0.00 0.00 0.05 0.00 0.00 55.36 56.86 3gfn s GLN 202 Cb -0.15 -3.33 -0.00 0.00 1.10 0.00 0.00 33.01 30.63 3gfn s GLN 202 CO -0.04 0.33 0.00 1.04 -0.55 0.00 0.00 175.29 176.07 3gfn n GLN 203 N 2.20 1.72 0.00 1.67 1.13 -1.26 -0.48 117.38 122.35 3gfn n GLN 203 Ca 0.01 -0.63 0.00 0.00 -1.94 0.00 0.00 57.00 54.43 3gfn n GLN 203 Cb 0.48 0.18 0.00 0.00 0.11 0.00 0.00 30.24 31.01 3gfn n GLN 203 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3gfn n GLY 204 N 3.79 0.69 7.00 1.08 0.00 -1.26 -4.22 105.19 112.27 3gfn n GLY 204 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3gfn n GLY 204 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gfn n SER 205 N 0.00 0.00 -1.28 1.61 2.88 -1.26 -1.88 113.62 113.70 3gfn n SER 205 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 3gfn n SER 205 Cb 0.00 0.00 0.30 0.00 -0.75 0.00 0.00 64.21 63.76 3gfn n SER 205 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3gfn n VAL 206 N 0.00 0.85 -3.24 2.46 0.24 -1.26 -4.94 118.33 112.44 3gfn n VAL 206 Ca 0.00 -0.90 -0.40 0.00 -2.04 0.00 0.00 64.34 60.99 3gfn n VAL 206 Cb 0.00 0.58 -0.08 0.00 -1.47 0.00 0.00 33.84 32.87 3gfn n VAL 206 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3gfn s PHE 207 N -1.15 3.22 0.18 6.34 0.08 -0.79 -4.96 117.98 120.91 3gfn s PHE 207 Ca 0.46 0.42 -0.13 0.00 0.12 0.00 0.00 56.93 57.79 3gfn s PHE 207 Cb 0.24 -2.81 0.11 0.00 -0.57 0.00 0.00 43.02 39.99 3gfn s PHE 207 CO 0.32 -0.40 1.82 1.49 -0.10 0.00 0.00 175.22 178.36 3gfn h GLU 208 N 8.24 0.65 -0.42 0.44 4.81 -1.92 -0.72 114.58 125.65 3gfn h GLU 208 Ca -0.29 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.85 3gfn h GLU 208 Cb 1.13 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 3gfn h GLU 208 CO 0.74 0.43 0.05 -2.95 -0.73 0.00 0.00 179.01 176.54 3gfn h ASN 209 N 0.67 0.60 -0.25 1.04 -1.07 -1.94 -0.51 115.58 114.11 3gfn h ASN 209 Ca 0.22 -0.11 -0.17 0.00 0.07 0.00 0.00 56.30 56.30 3gfn h ASN 209 Cb 0.00 -0.16 -0.00 0.00 -2.07 0.00 0.00 38.32 36.09 3gfn h ASN 209 CO -0.09 0.64 -0.50 -0.07 0.07 0.00 0.00 177.43 177.48 3gfn h LEU 210 N 0.62 0.91 -0.99 6.14 4.07 -1.76 -1.65 115.31 122.65 3gfn h LEU 210 Ca 0.13 -0.47 -0.04 0.00 0.08 0.00 0.00 57.88 57.59 3gfn h LEU 210 Cb 0.32 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 3gfn h LEU 210 CO 0.01 1.25 0.22 0.03 -1.08 0.00 0.00 178.44 178.87 3gfn h ARG 211 N 0.65 0.95 -0.44 1.13 2.47 -0.57 -0.24 114.38 118.33 3gfn h ARG 211 Ca 0.03 -0.17 -0.08 0.00 -1.26 0.00 0.00 59.98 58.50 3gfn h ARG 211 Cb 1.09 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 29.24 3gfn h ARG 211 CO 0.11 0.80 -0.03 0.37 0.56 0.00 0.00 179.97 181.78 3gfn h GLN 212 N 0.93 0.79 -0.61 0.04 5.75 -0.93 0.26 115.11 121.33 3gfn h GLN 212 Ca 0.21 -0.27 -0.07 0.00 -0.15 0.00 0.00 58.65 58.38 3gfn h GLN 212 Cb 0.23 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.69 3gfn h GLN 212 CO -0.01 0.87 0.11 0.37 -2.65 0.00 0.00 178.83 177.52 3gfn h GLN 213 N 0.63 0.99 -0.09 1.69 4.15 -0.87 -0.65 115.11 120.97 3gfn h GLN 213 Ca 0.12 -0.24 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 3gfn h GLN 213 Cb 0.53 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.09 3gfn h GLN 213 CO 0.03 0.90 0.02 1.03 -1.93 0.00 0.00 178.83 178.87 3gfn h SER 214 N 0.93 0.14 -0.83 -0.69 0.87 -0.94 -0.38 113.55 112.66 3gfn h SER 214 Ca 0.19 -0.26 0.09 0.00 -1.23 0.00 0.00 61.79 60.58 3gfn h SER 214 Cb 0.39 -0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.24 3gfn h SER 214 CO 0.01 0.36 0.48 0.00 -0.53 0.00 0.00 176.83 177.15 3gfn h ALA 215 N 0.78 1.17 -0.55 6.23 0.00 -0.67 0.64 119.26 126.85 3gfn h ALA 215 Ca 0.03 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3gfn h ALA 215 Cb 0.28 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3gfn h ALA 215 CO 0.00 0.13 0.04 -0.44 0.00 0.00 0.00 179.25 178.98 3gfn h ASP 216 N 0.82 0.92 -0.48 0.00 3.32 -0.93 -0.06 116.42 120.02 3gfn h ASP 216 Ca 0.39 -0.29 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 3gfn h ASP 216 Cb 0.32 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3gfn h ASP 216 CO -0.23 0.98 -0.08 0.00 -1.72 0.00 0.00 179.24 178.19 3gfn h ALA 217 N 0.97 0.87 -0.37 3.45 0.00 -0.46 -0.87 119.26 122.86 3gfn h ALA 217 Ca 0.16 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3gfn h ALA 217 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3gfn h ALA 217 CO 0.02 0.65 -0.06 -0.07 0.00 0.00 0.00 179.25 179.79 3gfn h LEU 218 N 0.85 0.69 -1.45 0.00 4.07 -0.56 -2.08 115.31 116.82 3gfn h LEU 218 Ca 0.14 -0.34 -0.05 0.00 0.08 0.00 0.00 57.88 57.70 3gfn h LEU 218 Cb 0.61 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 3gfn h LEU 218 CO 0.04 0.87 -0.21 0.00 -1.08 0.00 0.00 178.44 178.06 3gfn h ALA 219 N 0.84 1.55 -0.20 1.53 0.00 -0.80 0.12 119.26 122.30 3gfn h ALA 219 Ca 0.10 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 3gfn h ALA 219 Cb 0.55 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3gfn h ALA 219 CO 0.03 0.33 -0.56 1.05 0.00 0.00 0.00 179.25 180.10 3gfn h GLU 220 N 0.08 0.63 -0.08 0.00 4.11 -0.85 -3.04 114.58 115.44 3gfn h GLU 220 Ca 0.01 -0.40 -0.02 0.00 0.07 0.00 0.00 59.36 59.02 3gfn h GLU 220 Cb 0.43 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 3gfn h GLU 220 CO 0.03 1.02 -0.05 0.82 0.07 0.00 0.00 179.01 180.90 3gfn h ILE 221 N 0.48 1.34 -0.20 -1.06 2.04 -1.01 -3.50 117.51 115.59 3gfn h ILE 221 Ca 0.01 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.76 3gfn h ILE 221 Cb 1.12 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 39.11 3gfn h ILE 221 CO 0.11 0.31 0.00 0.61 0.00 0.00 0.00 178.15 179.18 3gfn n GLY 222 N 0.08 0.06 3.21 5.37 0.00 0.39 -5.12 105.19 109.18 3gfn n GLY 222 Ca -0.07 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 3gfn n GLY 222 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gfn s PHE 223 N -0.07 1.09 -0.35 1.61 0.08 -1.26 -5.02 117.98 114.06 3gfn s PHE 223 Ca 0.00 -1.17 0.22 0.00 0.12 0.00 0.00 56.93 56.09 3gfn s PHE 223 Cb 0.00 -0.61 0.32 0.00 -0.57 0.00 0.00 43.02 42.16 3gfn s PHE 223 CO 0.00 -0.41 1.59 -0.44 -0.10 0.00 0.00 175.22 175.86 3gfn h ASP 224 N 2.73 0.00 -4.99 1.36 3.32 -1.33 -3.47 116.42 114.03 3gfn h ASP 224 Ca -0.36 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.71 3gfn h ASP 224 Cb 1.21 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.66 3gfn h ASP 224 CO 0.60 0.12 0.23 -0.83 -1.72 0.00 0.00 179.24 177.64 3gfn s GLY 225 N -4.27 -0.44 -0.09 2.75 0.00 -1.23 -4.27 107.32 99.76 3gfn s GLY 225 Ca 0.06 0.26 -0.00 0.00 0.00 0.00 0.00 44.72 45.03 3gfn s GLY 225 CO 0.68 0.09 -0.06 -0.19 0.00 0.00 0.00 173.10 173.62 3gfn s TYR 226 N -3.76 1.23 0.11 1.90 1.51 -0.23 -1.72 117.35 116.38 3gfn s TYR 226 Ca 0.05 -0.54 -0.08 0.00 -1.01 0.00 0.00 57.07 55.49 3gfn s TYR 226 Cb -0.03 -1.07 -0.06 0.00 -0.11 0.00 0.00 41.96 40.70 3gfn s TYR 226 CO -0.06 -0.42 0.39 0.00 -1.11 0.00 0.00 175.55 174.35 3gfn s ALA 227 N 1.58 3.75 -0.45 3.71 0.00 -0.13 -0.81 121.76 129.41 3gfn s ALA 227 Ca 0.01 -0.45 -0.17 0.00 0.00 0.00 0.00 51.96 51.36 3gfn s ALA 227 Cb -0.13 -2.22 0.04 0.00 0.00 0.00 0.00 23.12 20.82 3gfn s ALA 227 CO -0.06 0.61 0.44 0.08 0.00 0.00 0.00 175.76 176.83 3gfn s VAL 228 N -1.51 5.12 0.59 0.00 1.01 0.19 -0.74 120.40 125.06 3gfn s VAL 228 Ca 0.36 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 3gfn s VAL 228 Cb -0.13 -4.10 0.04 0.00 0.00 0.00 0.00 36.38 32.19 3gfn s VAL 228 CO 0.20 -0.52 0.83 -0.83 0.00 0.00 0.00 175.10 174.78 3gfn s GLY 229 N 2.19 1.78 -0.12 4.51 0.00 0.36 -3.45 107.32 112.60 3gfn s GLY 229 Ca 0.09 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.59 3gfn s GLY 229 CO 0.11 -0.91 0.00 0.61 0.00 0.00 0.00 173.10 172.91 3gfn n GLY 230 N -2.48 0.49 3.78 0.20 0.00 -1.26 -4.63 105.19 101.30 3gfn n GLY 230 Ca 0.08 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 3gfn n GLY 230 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gfn s LEU 231 N -0.26 2.50 -1.40 0.99 1.43 -1.26 -4.64 118.68 116.04 3gfn s LEU 231 Ca 0.00 -1.49 -0.09 0.00 -1.03 0.00 0.00 54.13 51.51 3gfn s LEU 231 Cb 0.00 -0.90 0.03 0.00 0.03 0.00 0.00 46.19 45.35 3gfn s LEU 231 CO 0.00 -0.85 1.11 0.00 0.23 0.00 0.00 176.35 176.84 3gfn n ALA 232 N -1.34 -1.37 -2.06 4.21 0.00 -1.26 -4.90 120.51 113.78 3gfn n ALA 232 Ca -0.13 0.30 -0.02 0.00 0.00 0.00 0.00 53.44 53.59 3gfn n ALA 232 Cb 0.66 -4.93 0.10 0.00 0.00 0.00 0.00 19.45 15.28 3gfn n ALA 232 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3gfn n VAL 233 N -4.85 1.65 -0.09 0.00 0.24 -1.26 -4.94 118.33 109.09 3gfn n VAL 233 Ca -0.01 -2.91 0.00 0.00 -2.04 0.00 0.00 64.34 59.38 3gfn n VAL 233 Cb 0.56 0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 3gfn n VAL 233 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gfn n GLY 234 N -0.59 0.76 0.24 7.63 0.00 -1.26 -4.48 105.19 107.50 3gfn n GLY 234 Ca 0.20 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.36 3gfn n GLY 234 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3gfn h GLU 235 N 4.27 0.00 0.00 1.61 9.09 -1.93 -3.50 114.58 124.11 3gfn h GLU 235 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3gfn h GLU 235 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3gfn h GLU 235 CO 0.00 0.01 0.00 0.41 0.05 0.00 0.00 179.01 179.48 3gfn n GLY 236 N 0.63 0.84 0.25 1.06 0.00 -1.26 -4.36 105.19 102.35 3gfn n GLY 236 Ca 0.02 -1.57 -0.03 0.00 0.00 0.00 0.00 46.02 44.45 3gfn n GLY 236 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3gfn h GLN 237 N 0.00 0.70 -0.07 1.61 4.15 -1.98 0.13 115.11 119.65 3gfn h GLN 237 Ca 0.00 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.42 3gfn h GLN 237 Cb 0.00 -0.16 -0.05 0.00 0.21 0.00 0.00 27.48 27.48 3gfn h GLN 237 CO 0.00 0.46 -0.27 -0.44 -1.93 0.00 0.00 178.83 176.66 3gfn h ASP 238 N 0.72 -0.81 -0.50 -0.69 5.19 -1.99 0.32 116.42 118.66 3gfn h ASP 238 Ca 0.27 0.12 -0.09 0.00 -0.62 0.00 0.00 57.03 56.71 3gfn h ASP 238 Cb 0.09 0.34 -0.02 0.00 0.18 0.00 0.00 39.33 39.92 3gfn h ASP 238 CO -0.13 -0.32 -0.00 -0.08 -3.12 0.00 0.00 179.24 175.58 3gfn h GLU 239 N -0.37 0.93 -0.32 3.56 4.57 -1.69 -0.75 114.58 120.51 3gfn h GLU 239 Ca 0.08 -0.27 0.03 0.00 -1.18 0.00 0.00 59.36 58.02 3gfn h GLU 239 Cb 0.49 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 3gfn h GLU 239 CO -0.28 0.92 0.13 1.98 -1.18 0.00 0.00 179.01 180.59 3gfn h MET 240 N 0.86 0.27 -0.37 1.92 4.05 -0.14 -0.95 114.93 120.57 3gfn h MET 240 Ca 0.16 -0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.47 3gfn h MET 240 Cb 0.51 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.23 3gfn h MET 240 CO 0.03 0.18 -0.14 0.74 0.23 0.00 0.00 176.91 177.94 3gfn h PHE 241 N 0.28 0.73 -0.76 1.39 0.04 -0.06 -0.71 116.94 117.84 3gfn h PHE 241 Ca 0.14 -0.13 0.01 0.00 2.80 0.00 0.00 57.97 60.78 3gfn h PHE 241 Cb 0.08 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.01 3gfn h PHE 241 CO -0.12 0.77 0.50 -0.09 -0.60 0.00 0.00 178.31 178.77 3gfn h ARG 242 N 0.60 1.01 -0.19 1.51 2.43 -0.71 0.10 114.38 119.13 3gfn h ARG 242 Ca 0.10 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 59.02 3gfn h ARG 242 Cb 0.59 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3gfn h ARG 242 CO 0.04 0.68 -0.61 0.28 -1.51 0.00 0.00 179.97 178.85 3gfn h VAL 243 N 1.03 1.30 -0.99 0.20 2.07 -0.73 -2.89 116.25 116.25 3gfn h VAL 243 Ca 0.28 -1.83 0.10 0.00 0.82 0.00 0.00 66.70 66.07 3gfn h VAL 243 Cb -0.10 1.91 -0.08 0.00 -1.52 0.00 0.00 31.29 31.50 3gfn h VAL 243 CO -0.06 0.58 0.63 -0.07 0.02 0.00 0.00 177.57 178.67 3gfn h LEU 244 N 0.46 0.94 -0.94 2.57 3.38 -0.93 0.24 115.31 121.02 3gfn h LEU 244 Ca -0.02 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.14 3gfn h LEU 244 Cb 1.23 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.73 3gfn h LEU 244 CO 0.13 0.53 0.55 0.44 0.09 0.00 0.00 178.44 180.18 3gfn h ASP 245 N 1.02 0.72 0.21 -0.43 3.32 -0.57 -2.22 116.42 118.48 3gfn h ASP 245 Ca 0.47 0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.49 3gfn h ASP 245 Cb 0.39 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 3gfn h ASP 245 CO -0.22 0.31 -1.90 2.22 -1.72 0.00 0.00 179.24 177.93 3gfn n PHE 246 N -4.77 0.25 0.03 4.55 1.16 -1.07 -4.58 117.46 113.02 3gfn n PHE 246 Ca 0.20 0.08 -0.19 0.00 -1.87 0.00 0.00 57.45 55.67 3gfn n PHE 246 Cb 0.47 -0.75 -0.14 0.00 -1.61 0.00 0.00 39.48 37.44 3gfn n PHE 246 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 3gfn h SER 247 N 0.00 0.42 -0.71 5.98 0.02 -0.68 -3.34 113.55 115.23 3gfn h SER 247 Ca -0.15 -0.95 -0.06 0.00 -0.84 0.00 0.00 61.79 59.78 3gfn h SER 247 Cb 1.38 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.75 3gfn h SER 247 CO 0.01 1.33 0.19 0.58 -1.14 0.00 0.00 176.83 177.81 3gfn h VAL 248 N -0.43 1.26 0.00 2.27 2.07 -1.62 -1.68 116.25 118.13 3gfn h VAL 248 Ca -0.12 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.45 3gfn h VAL 248 Cb 1.54 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3gfn h VAL 248 CO 0.13 0.37 0.00 -0.65 0.02 0.00 0.00 177.57 177.44 3gfn h PRO 249 N 1.07 0.00 0.00 1.57 0.11 -1.80 -1.85 132.00 131.10 3gfn h PRO 249 Ca 0.23 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 3gfn h PRO 249 Cb 0.35 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 3gfn h PRO 249 CO -0.00 0.00 -0.07 0.52 -0.21 0.00 0.00 178.00 178.24 3gfn h MET 250 N 0.00 0.00 -7.13 1.05 2.86 -1.42 -3.45 114.93 106.84 3gfn h MET 250 Ca 0.00 0.00 -0.48 0.00 -2.06 0.00 0.00 59.70 57.16 3gfn h MET 250 Cb 0.00 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.68 3gfn h MET 250 CO 0.00 0.07 0.33 -0.51 1.06 0.00 0.00 176.91 177.86 3gfn s LEU 251 N -6.31 3.65 0.08 1.22 1.43 -0.70 -4.82 118.68 113.23 3gfn s LEU 251 Ca 0.03 1.49 -0.35 0.00 -1.03 0.00 0.00 54.13 54.26 3gfn s LEU 251 Cb 0.08 -4.42 -0.15 0.00 0.03 0.00 0.00 46.19 41.74 3gfn s LEU 251 CO 0.61 -0.56 1.55 -2.65 0.23 0.00 0.00 176.35 175.53 3gfn n PRO 252 N -1.56 1.79 -0.21 1.29 -0.02 -1.26 -4.86 135.00 130.17 3gfn n PRO 252 Ca 0.06 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3gfn n PRO 252 Cb 0.54 -2.38 0.24 0.00 -0.02 0.00 0.00 33.50 31.88 3gfn n PRO 252 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3gfn h ASP 253 N 6.00 0.86 -0.29 2.55 1.82 -1.92 -3.09 116.42 122.34 3gfn h ASP 253 Ca -0.46 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.15 3gfn h ASP 253 Cb 1.28 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 41.08 3gfn h ASP 253 CO 0.87 0.63 0.00 -0.90 -1.61 0.00 0.00 179.24 178.23 3gfn n ASP 254 N -4.41 1.66 -4.30 2.28 3.85 -1.26 -4.81 116.55 109.55 3gfn n ASP 254 Ca 0.08 -2.03 -0.23 0.00 -0.71 0.00 0.00 54.79 51.91 3gfn n ASP 254 Cb 0.04 -0.22 -0.12 0.00 -1.35 0.00 0.00 41.12 39.47 3gfn n ASP 254 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3gfn s LYS 255 N -1.62 1.18 0.53 0.11 -0.14 -1.17 -4.89 119.74 113.74 3gfn s LYS 255 Ca 0.20 -1.28 -0.21 0.00 -1.36 0.00 0.00 55.97 53.32 3gfn s LYS 255 Cb 0.11 -1.33 -0.06 0.00 -1.68 0.00 0.00 37.83 34.86 3gfn s LYS 255 CO 0.13 0.29 1.17 -2.14 -0.76 0.00 0.00 175.35 174.04 3gfn s PRO 256 N -2.35 3.39 -0.21 -1.68 0.02 -1.26 -4.83 135.00 128.08 3gfn s PRO 256 Ca 0.11 1.75 -0.02 0.00 0.02 0.00 0.00 61.00 62.86 3gfn s PRO 256 Cb -0.08 -2.14 0.01 0.00 0.02 0.00 0.00 34.50 32.31 3gfn s PRO 256 CO 0.05 -0.85 -0.10 -1.01 -0.33 0.00 0.00 177.00 174.77 3gfn s HIS 257 N -1.63 2.92 -0.18 6.54 3.76 -1.25 -1.07 115.29 124.39 3gfn s HIS 257 Ca 0.71 -1.28 -0.00 0.00 -0.15 0.00 0.00 55.06 54.33 3gfn s HIS 257 Cb -0.28 -2.04 0.00 0.00 1.11 0.00 0.00 32.58 31.38 3gfn s HIS 257 CO 0.32 -0.67 -0.14 -0.47 -0.85 0.00 0.00 174.74 172.93 3gfn s TYR 258 N 1.39 2.82 -0.47 1.40 5.04 0.01 0.34 117.35 127.87 3gfn s TYR 258 Ca 0.04 -1.21 -0.14 0.00 -2.44 0.00 0.00 57.07 53.32 3gfn s TYR 258 Cb -0.14 -1.95 0.08 0.00 0.35 0.00 0.00 41.96 40.31 3gfn s TYR 258 CO -0.07 -0.60 0.37 -1.17 -1.34 0.00 0.00 175.55 172.75 3gfn s LEU 259 N 1.11 5.59 0.00 6.97 2.96 -0.27 0.57 118.68 135.61 3gfn s LEU 259 Ca 0.00 -1.47 -0.30 0.00 -0.22 0.00 0.00 54.13 52.15 3gfn s LEU 259 Cb -0.14 -2.13 -0.05 0.00 0.50 0.00 0.00 46.19 44.37 3gfn s LEU 259 CO -0.05 -0.65 1.24 -0.04 -1.32 0.00 0.00 176.35 175.53 3gfn s MET 260 N 1.57 4.37 0.00 1.98 -1.94 -1.22 -3.46 119.30 120.60 3gfn s MET 260 Ca 0.04 1.77 0.00 0.00 -1.71 0.00 0.00 55.69 55.79 3gfn s MET 260 Cb -0.25 -3.48 0.00 0.00 2.01 0.00 0.00 34.83 33.11 3gfn s MET 260 CO 0.05 -0.40 0.00 0.41 -0.01 0.00 0.00 175.02 175.06 3gfn n GLY 261 N 3.37 0.56 3.34 -0.03 0.00 -1.20 -4.76 105.19 106.47 3gfn n GLY 261 Ca 0.11 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 3gfn n GLY 261 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gfn s VAL 262 N -2.00 2.70 -3.67 1.61 1.01 -0.59 -4.80 120.40 114.65 3gfn s VAL 262 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3gfn s VAL 262 Cb 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.30 3gfn s VAL 262 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.26 3gfn n GLY 263 N 3.20 -0.56 3.74 4.51 0.00 -1.26 -2.90 105.19 111.93 3gfn n GLY 263 Ca -0.18 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 3gfn n GLY 263 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gfn s LYS 264 N -1.47 2.47 0.29 1.61 -2.85 -1.26 -4.74 119.74 113.79 3gfn s LYS 264 Ca 0.00 1.65 0.04 0.00 -1.00 0.00 0.00 55.97 56.66 3gfn s LYS 264 Cb 0.00 -1.89 0.73 0.00 -2.06 0.00 0.00 37.83 34.61 3gfn s LYS 264 CO 0.00 -1.56 1.72 -1.35 0.10 0.00 0.00 175.35 174.26 3gfn h PRO 265 N -0.02 0.48 -0.37 1.78 0.11 -2.00 0.11 132.00 132.09 3gfn h PRO 265 Ca -0.48 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 3gfn h PRO 265 Cb 1.28 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3gfn h PRO 265 CO 0.52 0.32 -0.10 0.38 -0.21 0.00 0.00 178.00 178.90 3gfn h ASP 266 N 0.49 0.62 -0.45 -2.05 -0.00 -2.00 -1.68 116.42 111.35 3gfn h ASP 266 Ca 0.56 -0.17 -0.08 0.00 -0.00 0.00 0.00 57.03 57.34 3gfn h ASP 266 Cb 1.02 -0.16 -0.02 0.00 -0.00 0.00 0.00 39.33 40.17 3gfn h ASP 266 CO -0.48 0.75 -0.04 0.44 -0.00 0.00 0.00 179.24 179.91 3gfn h ASP 267 N 0.58 0.81 -0.22 4.15 3.45 -1.18 -2.32 116.42 121.69 3gfn h ASP 267 Ca 0.11 -0.33 -0.01 0.00 0.43 0.00 0.00 57.03 57.23 3gfn h ASP 267 Cb 0.52 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.06 3gfn h ASP 267 CO 0.03 0.94 0.11 0.40 -1.57 0.00 0.00 179.24 179.15 3gfn h ILE 268 N 0.65 1.13 -0.18 0.35 2.04 -0.78 0.06 117.51 120.78 3gfn h ILE 268 Ca 0.12 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3gfn h ILE 268 Cb 0.56 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3gfn h ILE 268 CO 0.03 0.13 0.11 0.58 0.00 0.00 0.00 178.15 179.00 3gfn h VAL 269 N 0.23 1.07 -0.65 1.67 2.07 -1.27 -0.44 116.25 118.93 3gfn h VAL 269 Ca 0.08 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 3gfn h VAL 269 Cb 0.10 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3gfn h VAL 269 CO -0.01 0.06 0.25 1.23 0.02 0.00 0.00 177.57 179.12 3gfn h GLY 270 N 0.22 1.02 1.17 2.17 0.00 -1.34 -2.22 103.07 104.10 3gfn h GLY 270 Ca 0.07 -0.54 -0.14 0.00 0.00 0.00 0.00 47.33 46.72 3gfn h GLY 270 CO -0.01 0.51 -0.29 0.00 0.00 0.00 0.00 176.54 176.75 3gfn h ALA 271 N 1.34 0.68 -0.81 3.60 0.00 -0.61 -2.74 119.26 120.73 3gfn h ALA 271 Ca 0.22 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3gfn h ALA 271 Cb 0.19 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3gfn h ALA 271 CO -0.02 0.67 0.34 0.28 0.00 0.00 0.00 179.25 180.53 3gfn h VAL 272 N 0.78 1.26 0.00 0.00 2.07 -0.91 -1.35 116.25 118.10 3gfn h VAL 272 Ca 0.09 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3gfn h VAL 272 Cb 0.86 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3gfn h VAL 272 CO 0.08 0.33 0.00 -0.33 0.02 0.00 0.00 177.57 177.67 3gfn h GLU 273 N 1.17 0.00 -0.37 1.57 5.08 -1.14 -1.09 114.58 119.81 3gfn h GLU 273 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3gfn h GLU 273 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3gfn h GLU 273 CO -0.03 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.52 3gfn n ARG 274 N -2.95 2.32 0.00 2.33 1.74 -0.58 -4.20 116.66 115.33 3gfn n ARG 274 Ca -0.02 -2.10 0.00 0.00 -0.77 0.00 0.00 57.85 54.96 3gfn n ARG 274 Cb 0.10 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 3gfn n ARG 274 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gfn n GLY 275 N 1.11 1.17 3.80 -0.13 0.00 -0.41 -4.76 105.19 105.98 3gfn n GLY 275 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3gfn n GLY 275 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gfn s ILE 276 N -2.00 4.62 -0.01 -0.61 -1.09 -0.79 -4.68 121.20 116.64 3gfn s ILE 276 Ca 0.00 1.33 0.08 0.00 -2.23 0.00 0.00 60.65 59.83 3gfn s ILE 276 Cb 0.00 -3.94 -0.13 0.00 -1.58 0.00 0.00 42.46 36.81 3gfn s ILE 276 CO 0.00 0.47 0.18 0.47 -1.23 0.00 0.00 174.94 174.83 3gfn n ASP 277 N 1.46 3.11 -3.89 3.58 8.00 0.15 -4.32 116.55 124.64 3gfn n ASP 277 Ca -0.07 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.31 3gfn n ASP 277 Cb 0.50 1.36 -0.12 0.00 -0.02 0.00 0.00 41.12 42.84 3gfn n ASP 277 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3gfn s MET 278 N -2.57 0.17 0.01 -1.24 -1.94 -0.73 -0.62 119.30 112.38 3gfn s MET 278 Ca -0.03 -0.17 -0.02 0.00 -1.71 0.00 0.00 55.69 53.76 3gfn s MET 278 Cb 0.05 0.07 -0.01 0.00 2.01 0.00 0.00 34.83 36.95 3gfn s MET 278 CO 0.34 -0.03 0.03 -0.06 -0.01 0.00 0.00 175.02 175.30 3gfn s PHE 279 N -0.54 0.14 -0.01 -0.03 0.40 -0.52 -1.12 117.98 116.31 3gfn s PHE 279 Ca -0.06 -0.30 -0.05 0.00 -0.60 0.00 0.00 56.93 55.92 3gfn s PHE 279 Cb -0.04 -0.11 0.00 0.00 0.51 0.00 0.00 43.02 43.38 3gfn s PHE 279 CO -0.00 -0.19 0.12 0.16 0.70 0.00 0.00 175.22 176.01 3gfn s ASP 280 N -1.16 -0.01 -0.14 1.36 -4.77 -1.14 -0.55 116.67 110.25 3gfn s ASP 280 Ca -0.13 -0.07 -0.29 0.00 -3.30 0.00 0.00 52.55 48.77 3gfn s ASP 280 Cb -0.08 0.22 0.08 0.00 -1.09 0.00 0.00 42.92 42.05 3gfn s ASP 280 CO -0.00 -0.24 0.73 0.00 0.70 0.00 0.00 175.17 176.36 3gfn n VAL 282 N 1.58 0.00 -0.09 0.00 0.24 -1.26 -4.42 118.33 114.38 3gfn n VAL 282 Ca -0.16 -0.25 -0.11 0.00 -2.04 0.00 0.00 64.34 61.78 3gfn n VAL 282 Cb 0.56 0.60 -0.05 0.00 -1.47 0.00 0.00 33.84 33.48 3gfn n VAL 282 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3gfn h LEU 283 N 2.32 -1.40 -1.41 1.34 3.38 -1.95 0.16 115.31 117.75 3gfn h LEU 283 Ca 0.00 0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.19 3gfn h LEU 283 Cb 0.56 0.60 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 3gfn h LEU 283 CO 0.00 -0.39 0.41 1.55 0.09 0.00 0.00 178.44 180.10 3gfn h PRO 284 N -0.38 0.77 0.09 1.13 0.13 -1.93 0.40 132.00 132.22 3gfn h PRO 284 Ca 0.12 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3gfn h PRO 284 Cb 0.60 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.55 3gfn h PRO 284 CO -0.52 0.51 -0.04 1.79 -0.23 0.00 0.00 178.00 179.51 3gfn h THR 285 N 0.80 0.01 -0.22 1.56 1.35 -1.70 -2.82 112.91 111.88 3gfn h THR 285 Ca 0.23 -0.92 0.03 0.00 -0.55 0.00 0.00 66.41 65.20 3gfn h THR 285 Cb -0.04 0.02 -0.05 0.00 -1.73 0.00 0.00 68.15 66.35 3gfn h THR 285 CO -0.06 0.00 -0.36 0.03 -0.25 0.00 0.00 175.52 174.89 3gfn h ARG 286 N -1.03 -0.28 -0.99 4.72 -0.00 -0.67 -2.32 114.38 113.81 3gfn h ARG 286 Ca -0.01 0.02 0.17 0.00 -0.50 0.00 0.00 59.98 59.66 3gfn h ARG 286 Cb 0.10 0.06 -0.10 0.00 0.00 0.00 0.00 29.97 30.04 3gfn h ARG 286 CO 0.02 -0.19 0.62 0.77 0.00 0.00 0.00 179.97 181.19 3gfn h SER 287 N -0.29 0.79 0.32 7.04 0.02 -0.36 -2.31 113.55 118.76 3gfn h SER 287 Ca 0.04 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3gfn h SER 287 Cb 0.40 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 3gfn h SER 287 CO -0.36 0.32 -0.39 1.23 -1.14 0.00 0.00 176.83 176.49 3gfn h GLY 288 N 0.79 -0.89 1.32 -3.77 0.00 -1.15 0.16 103.07 99.52 3gfn h GLY 288 Ca 0.55 0.46 0.07 0.00 0.00 0.00 0.00 47.33 48.40 3gfn h GLY 288 CO -0.33 -0.30 0.28 3.21 0.00 0.00 0.00 176.54 179.39 3gfn h ARG 289 N -0.76 0.00 -0.17 4.80 3.08 -1.13 0.28 114.38 120.48 3gfn h ARG 289 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3gfn h ARG 289 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 3gfn h ARG 289 CO -0.11 0.00 0.00 -1.71 -1.07 0.00 0.00 179.97 177.08 3gfn n ASN 290 N -3.71 3.01 0.00 7.04 5.15 -0.72 -4.93 115.26 121.11 3gfn n ASN 290 Ca 0.03 -1.95 0.00 0.00 -0.60 0.00 0.00 54.58 52.06 3gfn n ASN 290 Cb 0.41 -0.10 0.00 0.00 -0.53 0.00 0.00 39.78 39.56 3gfn n ASN 290 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gfn n GLY 291 N 1.39 0.86 3.69 8.20 0.00 0.98 -4.92 105.19 115.39 3gfn n GLY 291 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3gfn n GLY 291 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gfn s GLN 292 N -0.52 4.33 -0.15 1.61 0.74 0.48 -0.84 119.66 125.31 3gfn s GLN 292 Ca 0.00 0.78 -0.01 0.00 0.05 0.00 0.00 55.36 56.18 3gfn s GLN 292 Cb 0.00 -3.52 -0.01 0.00 1.10 0.00 0.00 33.01 30.58 3gfn s GLN 292 CO 0.00 -0.11 -0.10 0.00 -0.55 0.00 0.00 175.29 174.53 3gfn s ALA 293 N 1.43 2.70 0.20 1.58 0.00 -0.10 -3.48 121.76 124.08 3gfn s ALA 293 Ca 0.34 -0.94 -0.28 0.00 0.00 0.00 0.00 51.96 51.07 3gfn s ALA 293 Cb -0.17 -1.35 -0.08 0.00 0.00 0.00 0.00 23.12 21.52 3gfn s ALA 293 CO 0.14 0.09 0.89 -0.06 0.00 0.00 0.00 175.76 176.82 3gfn s PHE 294 N 0.60 3.95 0.10 0.00 0.08 -1.26 -0.87 117.98 120.57 3gfn s PHE 294 Ca -0.06 1.81 -0.00 0.00 0.12 0.00 0.00 56.93 58.80 3gfn s PHE 294 Cb -0.15 -2.92 -0.04 0.00 -0.57 0.00 0.00 43.02 39.34 3gfn s PHE 294 CO 0.03 0.45 -0.00 0.95 -0.10 0.00 0.00 175.22 176.55 3gfn s THR 295 N -1.05 0.32 0.17 0.64 -4.23 -1.10 -4.81 115.64 105.59 3gfn s THR 295 Ca 0.40 -1.89 0.35 0.00 -1.18 0.00 0.00 61.69 59.37 3gfn s THR 295 Cb -0.25 -1.81 0.39 0.00 1.34 0.00 0.00 72.50 72.17 3gfn s THR 295 CO 0.30 -0.72 2.04 -0.50 -0.54 0.00 0.00 174.62 175.19 3gfn h TRP 296 N 2.96 0.00 -0.36 3.99 4.06 -1.96 -1.09 115.95 123.54 3gfn h TRP 296 Ca -0.35 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.59 3gfn h TRP 296 Cb 1.17 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.33 3gfn h TRP 296 CO 0.51 0.00 0.01 -0.25 -3.56 0.00 0.00 178.44 175.15 3gfn n ASP 297 N -2.99 3.91 0.00 -3.49 8.00 -1.26 -3.02 116.55 117.70 3gfn n ASP 297 Ca -0.00 -2.58 0.00 0.00 0.71 0.00 0.00 54.79 52.91 3gfn n ASP 297 Cb 0.24 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 3gfn n ASP 297 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gfn n GLY 298 N 0.36 0.93 3.79 0.44 0.00 -0.41 -4.79 105.19 105.50 3gfn n GLY 298 Ca 0.18 -1.96 -0.34 0.00 0.00 0.00 0.00 46.02 43.90 3gfn n GLY 298 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gfn s PRO 299 N -1.91 3.34 0.09 1.61 0.04 -1.26 -2.71 135.00 134.20 3gfn s PRO 299 Ca 0.00 1.41 0.06 0.00 0.04 0.00 0.00 61.00 62.51 3gfn s PRO 299 Cb 0.00 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 3gfn s PRO 299 CO 0.00 -0.82 -0.16 0.96 0.04 0.00 0.00 177.00 177.02 3gfn s ILE 300 N -2.10 1.28 -0.39 0.56 -4.36 -0.05 -4.92 121.20 111.22 3gfn s ILE 300 Ca 0.68 -1.44 -0.09 0.00 -0.26 0.00 0.00 60.65 59.54 3gfn s ILE 300 Cb -0.19 -1.26 0.05 0.00 1.25 0.00 0.00 42.46 42.31 3gfn s ILE 300 CO 0.31 -0.23 0.21 0.21 0.24 0.00 0.00 174.94 175.68 3gfn s ASN 301 N -1.92 5.62 0.21 4.36 3.84 -1.26 -0.92 114.94 124.87 3gfn s ASN 301 Ca 0.02 -1.26 0.19 0.00 0.21 0.00 0.00 52.86 52.01 3gfn s ASN 301 Cb -0.09 -1.98 0.87 0.00 -0.55 0.00 0.00 41.25 39.50 3gfn s ASN 301 CO 0.03 -0.45 1.57 0.00 -2.79 0.00 0.00 177.10 175.46 3gfn n ILE 302 N 4.93 1.08 0.28 -5.21 0.13 -0.02 -1.23 119.36 119.31 3gfn n ILE 302 Ca -0.11 0.44 0.17 0.00 -1.10 0.00 0.00 62.75 62.15 3gfn n ILE 302 Cb 0.44 -1.38 0.63 0.00 -0.84 0.00 0.00 39.64 38.50 3gfn n ILE 302 CO 0.00 0.00 0.00 0.03 2.80 0.00 0.00 176.55 179.38 3gfn h ARG 303 N 0.00 0.00 -6.82 9.51 3.08 -1.89 -3.39 114.38 114.87 3gfn h ARG 303 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3gfn h ARG 303 Cb 0.18 0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.32 3gfn h ARG 303 CO 0.00 0.00 0.87 -1.71 -1.07 0.00 0.00 179.97 178.06 3gfn n ASN 304 N -3.07 3.87 0.27 7.04 2.85 -0.36 -4.84 115.26 121.02 3gfn n ASN 304 Ca 0.01 1.16 0.18 0.00 -0.11 0.00 0.00 54.58 55.82 3gfn n ASN 304 Cb 0.33 -1.60 0.94 0.00 1.24 0.00 0.00 39.78 40.68 3gfn n ASN 304 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3gfn h ALA 305 N 4.46 1.51 0.00 5.20 0.00 -1.90 -0.37 119.26 128.17 3gfn h ALA 305 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3gfn h ALA 305 Cb 1.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3gfn h ALA 305 CO 0.77 -0.16 0.02 0.07 0.00 0.00 0.00 179.25 179.94 3gfn h ARG 306 N 0.00 0.00 -0.25 0.00 -0.00 -1.94 -1.94 114.38 110.25 3gfn h ARG 306 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.02 3gfn h ARG 306 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.25 3gfn h ARG 306 CO -0.00 0.00 0.00 1.19 -0.00 0.00 0.00 179.97 181.16 3gfn n PHE 307 N -2.49 0.31 0.26 4.08 3.72 -0.15 -4.53 117.46 118.66 3gfn n PHE 307 Ca -0.02 -0.15 0.13 0.00 -0.05 0.00 0.00 57.45 57.36 3gfn n PHE 307 Cb 0.06 0.00 0.67 0.00 -0.94 0.00 0.00 39.48 39.28 3gfn n PHE 307 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3gfn h SER 308 N 4.27 0.00 0.00 4.37 4.64 -1.52 -2.56 113.55 122.75 3gfn h SER 308 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3gfn h SER 308 Cb 0.93 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.93 3gfn h SER 308 CO 0.00 0.13 -0.49 -0.62 -0.87 0.00 0.00 176.83 174.98 3gfn n GLU 309 N -3.44 0.72 -3.11 4.77 1.02 -1.26 -4.69 120.64 114.64 3gfn n GLU 309 Ca -0.01 -2.21 -0.42 0.00 -0.02 0.00 0.00 57.16 54.51 3gfn n GLU 309 Cb 0.30 -0.92 -0.07 0.00 -0.02 0.00 0.00 31.44 30.73 3gfn n GLU 309 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3gfn s ASP 310 N -2.27 6.44 0.00 1.62 -1.08 -0.97 -4.92 116.67 115.48 3gfn s ASP 310 Ca 0.26 0.19 0.28 0.00 -0.52 0.00 0.00 52.55 52.75 3gfn s ASP 310 Cb 0.25 -2.33 1.00 0.00 -1.46 0.00 0.00 42.92 40.39 3gfn s ASP 310 CO -0.05 -0.58 1.72 0.18 0.52 0.00 0.00 175.17 176.97 3gfn n LEU 311 N 6.02 0.59 -4.77 -1.34 4.77 -1.26 -0.85 117.00 120.16 3gfn n LEU 311 Ca -0.01 -0.03 -0.33 0.00 -0.03 0.00 0.00 56.01 55.62 3gfn n LEU 311 Cb 0.49 -0.20 0.06 0.00 -2.33 0.00 0.00 43.42 41.43 3gfn n LEU 311 CO 0.48 0.11 0.73 -0.54 -1.33 0.00 0.00 177.39 176.85 3gfn s LYS 312 N -2.60 2.70 0.96 3.23 1.02 -1.26 -4.55 119.74 119.24 3gfn s LYS 312 Ca 0.24 1.35 -0.12 0.00 0.02 0.00 0.00 55.97 57.46 3gfn s LYS 312 Cb 0.19 -1.94 0.16 0.00 -0.52 0.00 0.00 37.83 35.73 3gfn s LYS 312 CO 0.52 -1.32 1.09 -1.25 -0.92 0.00 0.00 175.35 173.47 3gfn s PRO 313 N -4.24 0.76 0.22 -1.68 0.04 -1.26 -0.83 135.00 128.00 3gfn s PRO 313 Ca 0.66 0.66 -0.12 0.00 0.04 0.00 0.00 61.00 62.24 3gfn s PRO 313 Cb -0.20 -1.76 0.28 0.00 0.04 0.00 0.00 34.50 32.85 3gfn s PRO 313 CO 0.44 -2.54 1.64 -0.07 0.04 0.00 0.00 177.00 176.51 3gfn h LEU 314 N -1.76 -0.48 -8.16 -3.56 4.07 -1.90 -3.41 115.31 100.11 3gfn h LEU 314 Ca -0.52 0.18 -0.39 0.00 0.08 0.00 0.00 57.88 57.23 3gfn h LEU 314 Cb 1.31 0.35 -0.26 0.00 1.08 0.00 0.00 40.66 43.14 3gfn h LEU 314 CO 0.56 -0.18 -0.78 -0.62 -1.08 0.00 0.00 178.44 176.34 3gfn s ASP 315 N -5.23 1.24 0.42 -0.43 -1.08 -1.26 -4.89 116.67 105.44 3gfn s ASP 315 Ca -0.14 -0.33 0.21 0.00 -0.52 0.00 0.00 52.55 51.77 3gfn s ASP 315 Cb 0.20 -0.09 0.87 0.00 -1.46 0.00 0.00 42.92 42.43 3gfn s ASP 315 CO 0.74 0.03 1.82 0.77 0.52 0.00 0.00 175.17 179.04 3gfn h SER 316 N 5.33 0.00 0.00 -0.34 4.64 -2.00 -3.20 113.55 117.97 3gfn h SER 316 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3gfn h SER 316 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3gfn h SER 316 CO 0.46 0.29 -1.49 -0.62 -0.87 0.00 0.00 176.83 174.60 3gfn n GLU 317 N -3.53 0.41 -1.68 4.77 1.02 -1.26 -5.03 120.64 115.34 3gfn n GLU 317 Ca -0.00 -0.10 -0.44 0.00 -0.02 0.00 0.00 57.16 56.60 3gfn n GLU 317 Cb 0.44 -1.26 -0.02 0.00 -0.02 0.00 0.00 31.44 30.58 3gfn n GLU 317 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gfn n HIS 319 N 1.04 0.00 -1.21 0.00 -0.00 -1.26 -4.73 115.22 109.06 3gfn n HIS 319 Ca 0.08 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.49 3gfn n HIS 319 Cb 0.34 -0.04 0.10 0.00 -0.00 0.00 0.00 29.99 30.39 3gfn n HIS 319 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3gfn h ALA 321 N -1.14 1.71 -0.42 0.00 0.00 -1.95 -1.73 119.26 115.72 3gfn h ALA 321 Ca -0.44 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 3gfn h ALA 321 Cb 1.24 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3gfn h ALA 321 CO 0.50 0.22 0.08 0.28 0.00 0.00 0.00 179.25 180.34 3gfn h VAL 322 N 0.21 1.24 0.00 0.00 2.07 -1.92 -2.56 116.25 115.29 3gfn h VAL 322 Ca 0.05 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.72 3gfn h VAL 322 Cb 0.17 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3gfn h VAL 322 CO 0.00 0.29 0.00 0.00 0.02 0.00 0.00 177.57 177.89 3gfn h GLN 324 N 0.00 0.45 0.00 0.00 -0.00 -0.99 -3.42 115.11 111.15 3gfn h GLN 324 Ca 0.00 -0.20 -0.12 0.00 -0.00 0.00 0.00 58.65 58.32 3gfn h GLN 324 Cb 0.80 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.48 28.25 3gfn h GLN 324 CO 0.00 0.74 -1.46 0.36 -0.00 0.00 0.00 178.83 178.47 3gfn n LYS 325 N -4.06 0.36 -4.40 0.06 0.00 -0.99 -5.07 118.16 104.06 3gfn n LYS 325 Ca -0.01 0.04 -0.26 0.00 -0.00 0.00 0.00 58.31 58.08 3gfn n LYS 325 Cb 0.47 -1.16 -0.12 0.00 -0.00 0.00 0.00 35.03 34.22 3gfn n LYS 325 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 3gfn s TRP 326 N -2.16 2.21 0.37 5.58 0.51 -0.14 -5.11 118.94 120.20 3gfn s TRP 326 Ca -0.11 -0.38 -0.03 0.00 -2.12 0.00 0.00 56.10 53.46 3gfn s TRP 326 Cb 0.03 -1.12 -0.04 0.00 -0.81 0.00 0.00 33.47 31.53 3gfn s TRP 326 CO 0.19 0.44 0.63 -1.54 -0.51 0.00 0.00 176.95 176.16 3gfn s SER 327 N -2.53 6.35 0.27 2.95 1.04 -1.26 -4.42 113.70 116.10 3gfn s SER 327 Ca 0.18 0.71 0.01 0.00 0.48 0.00 0.00 55.95 57.33 3gfn s SER 327 Cb -0.08 -2.15 0.63 0.00 0.10 0.00 0.00 66.02 64.52 3gfn s SER 327 CO 0.08 -0.35 1.70 0.03 0.98 0.00 0.00 173.24 175.68 3gfn h ARG 328 N 0.91 0.37 -1.01 4.02 3.08 -0.98 -1.75 114.38 119.03 3gfn h ARG 328 Ca -0.48 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 59.57 3gfn h ARG 328 Cb 1.20 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 31.12 3gfn h ARG 328 CO 0.63 0.25 0.67 0.00 -1.07 0.00 0.00 179.97 180.44 3gfn h ALA 329 N 1.67 1.30 -0.19 0.04 0.00 -0.94 0.22 119.26 121.36 3gfn h ALA 329 Ca 0.51 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.27 3gfn h ALA 329 Cb 0.92 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3gfn h ALA 329 CO -0.51 0.63 -0.23 -0.92 0.00 0.00 0.00 179.25 178.22 3gfn h TYR 330 N 1.33 0.60 -0.38 0.00 3.20 -1.69 -2.38 116.97 117.66 3gfn h TYR 330 Ca 0.38 -0.19 -0.10 0.00 3.14 0.00 0.00 58.73 61.96 3gfn h TYR 330 Cb -0.10 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 3gfn h TYR 330 CO -0.00 0.88 -0.17 0.82 -1.64 0.00 0.00 178.16 178.05 3gfn h ILE 331 N 0.16 1.26 -0.34 1.81 2.04 -1.00 0.39 117.51 121.83 3gfn h ILE 331 Ca 0.03 -1.23 0.07 0.00 1.00 0.00 0.00 64.86 64.73 3gfn h ILE 331 Cb 0.79 1.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.96 3gfn h ILE 331 CO 0.06 0.41 -0.10 -0.74 0.00 0.00 0.00 178.15 177.77 3gfn h HIS 332 N 0.63 -0.23 -0.15 1.37 2.76 -0.56 0.06 115.15 119.03 3gfn h HIS 332 Ca 0.10 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.32 3gfn h HIS 332 Cb 0.64 0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.73 3gfn h HIS 332 CO 0.03 -0.17 0.01 1.25 -1.30 0.00 0.00 177.93 177.75 3gfn h HIS 333 N -0.03 0.02 -0.38 5.26 -0.00 -0.91 -0.21 115.15 118.90 3gfn h HIS 333 Ca 0.17 0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.61 3gfn h HIS 333 Cb 0.28 0.02 -0.05 0.00 -0.00 0.00 0.00 27.41 27.65 3gfn h HIS 333 CO -0.33 -0.01 0.05 -0.07 -0.00 0.00 0.00 177.93 177.57 3gfn h LEU 334 N 0.07 -0.05 -0.37 0.26 4.07 -0.49 0.61 115.31 119.41 3gfn h LEU 334 Ca 0.07 0.07 -0.17 0.00 0.08 0.00 0.00 57.88 57.93 3gfn h LEU 334 Cb 0.07 0.11 -0.00 0.00 1.08 0.00 0.00 40.66 41.92 3gfn h LEU 334 CO -0.11 0.01 -0.42 0.40 -1.08 0.00 0.00 178.44 177.24 3gfn h ILE 335 N 0.16 1.27 -0.27 1.22 1.08 -0.80 -1.14 117.51 119.03 3gfn h ILE 335 Ca 0.18 -1.60 -0.03 0.00 -0.39 0.00 0.00 64.86 63.03 3gfn h ILE 335 Cb 0.23 1.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.39 3gfn h ILE 335 CO -0.26 0.53 0.05 0.03 -0.69 0.00 0.00 178.15 177.81 3gfn h ARG 336 N 0.75 0.39 -0.01 2.37 3.08 -0.70 -1.79 114.38 118.47 3gfn h ARG 336 Ca 0.05 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3gfn h ARG 336 Cb 1.02 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.00 3gfn h ARG 336 CO 0.10 0.38 -0.04 0.00 -1.07 0.00 0.00 179.97 179.34 3gfn n ALA 337 N -2.49 2.69 -1.61 0.04 0.00 0.18 -4.92 120.51 114.39 3gfn n ALA 337 Ca 0.01 -0.30 -0.11 0.00 0.00 0.00 0.00 53.44 53.04 3gfn n ALA 337 Cb 0.18 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 3gfn n ALA 337 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gfn n GLY 338 N 1.16 0.80 3.75 0.00 0.00 -0.67 -4.99 105.19 105.23 3gfn n GLY 338 Ca 0.19 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 3gfn n GLY 338 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gfn s GLU 339 N -3.46 4.79 0.35 1.61 0.41 -0.49 -4.96 118.70 116.94 3gfn s GLU 339 Ca 0.00 1.54 0.04 0.00 -0.41 0.00 0.00 54.97 56.13 3gfn s GLU 339 Cb 0.00 -3.29 0.66 0.00 -1.78 0.00 0.00 34.13 29.73 3gfn s GLU 339 CO 0.00 0.40 1.97 0.82 -0.49 0.00 0.00 175.26 177.96 3gfn h ILE 340 N 3.34 1.08 -0.01 -1.63 2.04 -1.94 -1.43 117.51 118.96 3gfn h ILE 340 Ca -0.45 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.12 3gfn h ILE 340 Cb 1.20 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3gfn h ILE 340 CO 0.69 0.15 0.01 0.25 0.00 0.00 0.00 178.15 179.25 3gfn h LEU 341 N 0.85 0.00 -0.34 1.44 5.85 -1.93 -0.89 115.31 120.28 3gfn h LEU 341 Ca 0.30 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 3gfn h LEU 341 Cb 0.13 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3gfn h LEU 341 CO -0.09 0.00 0.07 1.23 -0.34 0.00 0.00 178.44 179.31 3gfn h GLY 342 N 0.00 0.60 1.02 3.75 0.00 -1.53 -0.25 103.07 106.67 3gfn h GLY 342 Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 3gfn h GLY 342 CO -0.00 0.36 0.43 0.00 0.00 0.00 0.00 176.54 177.33 3gfn h ALA 343 N 0.91 1.06 0.13 3.60 0.00 -1.25 -0.47 119.26 123.24 3gfn h ALA 343 Ca 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3gfn h ALA 343 Cb 0.33 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3gfn h ALA 343 CO 0.00 0.59 -0.06 0.52 0.00 0.00 0.00 179.25 180.30 3gfn h MET 344 N 1.15 -0.16 -0.34 0.00 2.07 -0.92 -1.02 114.93 115.71 3gfn h MET 344 Ca 0.29 0.01 -0.07 0.00 -2.07 0.00 0.00 59.70 57.86 3gfn h MET 344 Cb 0.06 0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 29.82 3gfn h MET 344 CO -0.04 -0.05 -0.06 -0.07 1.07 0.00 0.00 176.91 177.75 3gfn h LEU 345 N -0.23 0.65 -0.74 1.22 4.07 -0.95 -1.67 115.31 117.66 3gfn h LEU 345 Ca -0.02 -0.35 -0.04 0.00 0.08 0.00 0.00 57.88 57.55 3gfn h LEU 345 Cb 0.18 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.72 3gfn h LEU 345 CO 0.03 0.85 0.30 0.24 -1.08 0.00 0.00 178.44 178.78 3gfn h MET 346 N 0.44 1.10 -0.33 1.13 2.86 -1.05 -1.26 114.93 117.81 3gfn h MET 346 Ca 0.09 -0.20 -0.17 0.00 -2.06 0.00 0.00 59.70 57.36 3gfn h MET 346 Cb 0.55 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 3gfn h MET 346 CO 0.03 0.90 -0.47 1.15 1.06 0.00 0.00 176.91 179.57 3gfn h THR 347 N 1.06 1.27 -0.48 2.22 2.02 -1.11 -0.78 112.91 117.10 3gfn h THR 347 Ca 0.25 -1.65 -0.04 0.00 0.77 0.00 0.00 66.41 65.74 3gfn h THR 347 Cb 0.20 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 3gfn h THR 347 CO -0.02 0.54 0.15 -0.08 0.37 0.00 0.00 175.52 176.48 3gfn h GLU 348 N 0.71 0.75 -0.30 6.66 4.81 -1.11 -0.73 114.58 125.37 3gfn h GLU 348 Ca 0.04 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3gfn h GLU 348 Cb 1.07 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 3gfn h GLU 348 CO 0.11 0.71 0.17 1.25 -0.73 0.00 0.00 179.01 180.52 3gfn h HIS 349 N 0.65 0.40 -0.52 0.92 2.76 -1.08 -0.20 115.15 118.09 3gfn h HIS 349 Ca 0.16 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.25 3gfn h HIS 349 Cb 0.28 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 3gfn h HIS 349 CO 0.01 0.31 0.05 -0.91 -1.30 0.00 0.00 177.93 176.10 3gfn h ASN 350 N 0.37 0.85 -0.11 3.26 2.35 -0.84 0.36 115.58 121.81 3gfn h ASN 350 Ca 0.11 -0.28 -0.10 0.00 -0.55 0.00 0.00 56.30 55.48 3gfn h ASN 350 Cb 0.04 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 3gfn h ASN 350 CO -0.02 0.91 -0.24 0.40 -1.65 0.00 0.00 177.43 176.84 3gfn h ILE 351 N 0.75 1.27 -0.70 2.81 2.04 -1.07 -1.19 117.51 121.41 3gfn h ILE 351 Ca 0.15 -1.27 -0.07 0.00 1.00 0.00 0.00 64.86 64.67 3gfn h ILE 351 Cb 0.45 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 3gfn h ILE 351 CO 0.02 0.41 0.15 0.00 0.00 0.00 0.00 178.15 178.73 3gfn h ALA 352 N 1.27 0.93 -0.03 1.87 0.00 -0.56 -1.65 119.26 121.08 3gfn h ALA 352 Ca 0.07 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3gfn h ALA 352 Cb 0.67 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3gfn h ALA 352 CO 0.05 0.67 -0.00 0.35 0.00 0.00 0.00 179.25 180.32 3gfn h PHE 353 N 1.07 -0.01 -1.00 0.00 3.57 0.16 -0.46 116.94 120.29 3gfn h PHE 353 Ca 0.22 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.77 3gfn h PHE 353 Cb 0.40 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.09 3gfn h PHE 353 CO 0.03 -0.01 0.65 1.88 -2.23 0.00 0.00 178.31 178.63 3gfn h TYR 354 N 0.01 1.21 -0.14 0.41 -1.99 -1.04 -0.30 116.97 115.13 3gfn h TYR 354 Ca 0.02 0.03 -0.13 0.00 2.00 0.00 0.00 58.73 60.65 3gfn h TYR 354 Cb 0.02 -0.40 -0.01 0.00 2.00 0.00 0.00 36.73 38.34 3gfn h TYR 354 CO -0.10 0.66 -0.47 1.96 -0.00 0.00 0.00 178.16 180.21 3gfn h GLN 355 N 1.22 0.35 -0.46 4.88 1.08 -0.84 -0.75 115.11 120.59 3gfn h GLN 355 Ca 0.41 -0.19 -0.09 0.00 -1.45 0.00 0.00 58.65 57.33 3gfn h GLN 355 Cb 0.08 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 3gfn h GLN 355 CO -0.15 0.75 -0.08 1.96 -0.95 0.00 0.00 178.83 180.37 3gfn h GLN 356 N 0.28 0.81 -0.29 1.46 4.20 -0.61 -0.66 115.11 120.30 3gfn h GLN 356 Ca 0.02 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.47 3gfn h GLN 356 Cb 0.94 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 3gfn h GLN 356 CO 0.08 0.87 0.19 1.25 -0.67 0.00 0.00 178.83 180.55 3gfn h LEU 357 N 0.74 0.34 -0.88 1.46 5.85 -0.74 -0.23 115.31 121.85 3gfn h LEU 357 Ca 0.13 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 3gfn h LEU 357 Cb 0.56 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3gfn h LEU 357 CO 0.03 0.25 -0.26 0.24 -0.34 0.00 0.00 178.44 178.36 3gfn h MET 358 N 0.39 0.53 -0.50 1.25 2.86 -0.85 -1.03 114.93 117.58 3gfn h MET 358 Ca 0.11 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 3gfn h MET 358 Cb -0.04 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 3gfn h MET 358 CO -0.02 0.74 0.22 0.37 1.06 0.00 0.00 176.91 179.28 3gfn h GLN 359 N 0.46 0.73 -0.43 1.72 5.75 -0.77 0.79 115.11 123.38 3gfn h GLN 359 Ca 0.06 -0.12 -0.04 0.00 -0.15 0.00 0.00 58.65 58.40 3gfn h GLN 359 Cb 0.70 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.11 3gfn h GLN 359 CO 0.05 0.63 0.09 0.87 -2.65 0.00 0.00 178.83 177.82 3gfn h LYS 360 N 0.66 0.64 -0.03 1.69 1.57 -0.75 -0.10 116.57 120.25 3gfn h LYS 360 Ca 0.17 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3gfn h LYS 360 Cb 0.16 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 3gfn h LYS 360 CO -0.02 0.60 -0.02 0.82 -0.57 0.00 0.00 179.45 180.26 3gfn h ILE 361 N 0.62 1.35 -0.17 1.86 2.04 -0.70 -1.10 117.51 121.41 3gfn h ILE 361 Ca 0.14 -1.07 0.03 0.00 1.00 0.00 0.00 64.86 64.96 3gfn h ILE 361 Cb 0.26 1.99 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 3gfn h ILE 361 CO -0.00 0.29 -0.05 0.03 0.00 0.00 0.00 178.15 178.42 3gfn h ARG 362 N -0.34 -0.01 -0.80 2.37 3.08 -0.62 -0.86 114.38 117.20 3gfn h ARG 362 Ca 0.01 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.08 3gfn h ARG 362 Cb 0.48 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 3gfn h ARG 362 CO 0.01 -0.01 0.52 -0.44 -1.07 0.00 0.00 179.97 178.98 3gfn h ASP 363 N -0.02 0.88 -0.37 7.04 3.32 -1.04 -0.84 116.42 125.40 3gfn h ASP 363 Ca 0.08 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 3gfn h ASP 363 Cb 0.14 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3gfn h ASP 363 CO -0.18 0.63 -0.23 0.77 -1.72 0.00 0.00 179.24 178.51 3gfn h SER 364 N 1.04 0.89 -0.44 6.45 4.64 -0.91 -1.37 113.55 123.85 3gfn h SER 364 Ca 0.30 -0.33 -0.07 0.00 -0.47 0.00 0.00 61.79 61.22 3gfn h SER 364 Cb -0.07 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.76 3gfn h SER 364 CO -0.08 1.08 0.00 0.40 -0.87 0.00 0.00 176.83 177.36 3gfn h ILE 365 N 0.75 1.26 -0.10 0.95 2.04 -0.92 0.27 117.51 121.76 3gfn h ILE 365 Ca 0.10 -1.03 0.03 0.00 1.00 0.00 0.00 64.86 64.96 3gfn h ILE 365 Cb 0.77 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 3gfn h ILE 365 CO 0.06 0.35 0.08 0.28 0.00 0.00 0.00 178.15 178.92 3gfn h SER 366 N 0.61 0.00 -0.34 1.72 0.02 -0.73 -1.12 113.55 113.72 3gfn h SER 366 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3gfn h SER 366 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 3gfn h SER 366 CO 0.02 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.09 3gfn n GLU 367 N -4.32 2.46 -3.14 3.45 1.02 -0.55 -4.97 120.64 114.60 3gfn n GLU 367 Ca -0.01 -2.23 -0.23 0.00 -0.02 0.00 0.00 57.16 54.67 3gfn n GLU 367 Cb 0.19 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.15 3gfn n GLU 367 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gfn n GLY 368 N 1.45 -0.53 1.12 0.62 0.00 -0.42 -4.90 105.19 102.53 3gfn n GLY 368 Ca 0.18 0.16 0.05 0.00 0.00 0.00 0.00 46.02 46.41 3gfn n GLY 368 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3gfn n ARG 369 N -4.24 0.66 -0.04 1.61 1.85 0.85 -4.84 116.66 112.51 3gfn n ARG 369 Ca -0.09 -2.53 -0.07 0.00 -1.00 0.00 0.00 57.85 54.16 3gfn n ARG 369 Cb 0.61 -0.67 0.11 0.00 -1.05 0.00 0.00 32.46 31.46 3gfn n ARG 369 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 3gfn h PHE 370 N 0.99 0.74 -0.53 2.89 3.57 -1.81 0.46 116.94 123.24 3gfn h PHE 370 Ca -0.13 -0.18 -0.05 0.00 3.53 0.00 0.00 57.97 61.14 3gfn h PHE 370 Cb 1.52 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 40.07 3gfn h PHE 370 CO 0.42 0.87 0.15 1.03 -2.23 0.00 0.00 178.31 178.54 3gfn h SER 371 N 0.55 0.79 -0.66 0.41 0.87 -1.90 0.13 113.55 113.73 3gfn h SER 371 Ca 0.07 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 3gfn h SER 371 Cb 0.79 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.51 3gfn h SER 371 CO 0.06 0.80 0.36 -0.61 -0.53 0.00 0.00 176.83 176.91 3gfn h GLN 372 N 0.74 0.93 -0.45 2.24 5.75 -1.91 -2.10 115.11 120.32 3gfn h GLN 372 Ca 0.17 -0.11 0.04 0.00 -0.15 0.00 0.00 58.65 58.59 3gfn h GLN 372 Cb 0.31 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.64 3gfn h GLN 372 CO -0.00 0.71 0.23 0.35 -2.65 0.00 0.00 178.83 177.46 3gfn h PHE 373 N 0.91 0.41 -0.87 3.99 3.57 -0.35 -0.81 116.94 123.79 3gfn h PHE 373 Ca 0.23 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.76 3gfn h PHE 373 Cb 0.06 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.63 3gfn h PHE 373 CO -0.00 0.21 0.57 0.00 -2.23 0.00 0.00 178.31 176.86 3gfn h ALA 374 N 1.23 1.10 -0.03 2.41 0.00 -0.54 0.18 119.26 123.62 3gfn h ALA 374 Ca 0.19 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3gfn h ALA 374 Cb 0.09 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3gfn h ALA 374 CO -0.13 0.52 0.02 -0.56 0.00 0.00 0.00 179.25 179.09 3gfn h GLN 375 N 1.18 0.05 -0.80 0.00 -0.00 -1.20 -2.11 115.11 112.24 3gfn h GLN 375 Ca 0.32 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.92 3gfn h GLN 375 Cb -0.12 -0.01 -0.04 0.00 -0.00 0.00 0.00 27.48 27.31 3gfn h GLN 375 CO -0.07 0.16 0.35 -0.44 -0.00 0.00 0.00 178.83 178.83 3gfn h ASP 376 N -0.07 1.07 0.02 0.06 3.32 -0.73 -1.94 116.42 118.16 3gfn h ASP 376 Ca 0.01 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 3gfn h ASP 376 Cb 0.12 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.40 3gfn h ASP 376 CO -0.00 0.93 -0.01 0.15 -1.72 0.00 0.00 179.24 178.59 3gfn h PHE 377 N 1.15 -0.03 -0.33 4.55 3.57 -0.59 -2.74 116.94 122.52 3gfn h PHE 377 Ca 0.27 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 3gfn h PHE 377 Cb 0.17 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3gfn h PHE 377 CO 0.02 0.03 0.19 0.00 -2.23 0.00 0.00 178.31 176.32 3gfn h ARG 378 N -0.08 0.46 -0.88 1.11 3.08 -1.24 0.44 114.38 117.27 3gfn h ARG 378 Ca -0.00 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.05 3gfn h ARG 378 Cb 0.07 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 29.97 3gfn h ARG 378 CO 0.01 0.37 0.55 0.00 -1.07 0.00 0.00 179.97 179.83 3gfn h ALA 379 N 1.07 1.19 0.16 0.04 0.00 -1.35 -0.09 119.26 120.28 3gfn h ALA 379 Ca 0.12 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 3gfn h ALA 379 Cb 0.03 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 17.58 3gfn h ALA 379 CO -0.02 0.34 -0.93 -0.09 0.00 0.00 0.00 179.25 178.54 3gfn h ARG 380 N 1.03 0.33 -0.14 0.00 2.43 -1.17 -2.64 114.38 114.23 3gfn h ARG 380 Ca 0.37 -0.56 -0.05 0.00 -0.81 0.00 0.00 59.98 58.92 3gfn h ARG 380 Cb 0.11 0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3gfn h ARG 380 CO -0.15 1.27 -0.16 -0.92 -1.51 0.00 0.00 179.97 178.50 3gfn h TYR 381 N -0.30 0.23 -0.44 2.20 3.20 0.10 -2.10 116.97 119.85 3gfn h TYR 381 Ca -0.17 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.65 3gfn h TYR 381 Cb 1.72 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.91 3gfn h TYR 381 CO 0.19 0.38 0.02 1.19 -1.64 0.00 0.00 178.16 178.29 3gfn n PHE 382 N -4.25 1.58 0.83 -3.82 3.72 -0.06 -3.41 117.46 112.05 3gfn n PHE 382 Ca -0.01 -0.86 0.07 0.00 -0.05 0.00 0.00 57.45 56.60 3gfn n PHE 382 Cb 0.29 -0.44 0.40 0.00 -0.94 0.00 0.00 39.48 38.78 3gfn n PHE 382 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71