#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gut s TYR 20 N 0.00 1.85 0.02 0.00 1.13 -0.90 -4.82 117.35 114.63 3gut s TYR 20 Ca 0.00 -1.12 0.08 0.00 -1.41 0.00 0.00 57.07 54.62 3gut s TYR 20 Cb 0.00 -1.36 -0.02 0.00 -1.10 0.00 0.00 41.96 39.48 3gut s TYR 20 CO 0.00 -0.05 -0.25 0.08 -2.51 0.00 0.00 175.55 172.81 3gut s VAL 21 N -3.07 2.02 -0.02 -3.49 1.01 -1.26 -0.49 120.40 115.09 3gut s VAL 21 Ca 0.18 -1.23 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 3gut s VAL 21 Cb 0.03 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.72 3gut s VAL 21 CO 0.10 0.43 0.05 -1.83 0.00 0.00 0.00 175.10 173.86 3gut s GLU 22 N -0.96 0.04 -0.16 2.72 -1.05 -0.27 -4.92 118.70 114.09 3gut s GLU 22 Ca 0.10 0.13 -0.29 0.00 -0.15 0.00 0.00 54.97 54.76 3gut s GLU 22 Cb -0.10 -0.06 -0.01 0.00 -0.44 0.00 0.00 34.13 33.52 3gut s GLU 22 CO 0.01 -0.06 1.26 0.42 0.95 0.00 0.00 175.26 177.84 3gut s ILE 23 N 0.40 4.28 -0.13 1.83 1.09 -1.26 0.80 121.20 128.20 3gut s ILE 23 Ca -0.03 1.54 -0.23 0.00 -1.10 0.00 0.00 60.65 60.83 3gut s ILE 23 Cb -0.05 -4.00 -0.26 0.00 -1.06 0.00 0.00 42.46 37.10 3gut s ILE 23 CO -0.01 -0.13 0.62 0.40 -0.10 0.00 0.00 174.94 175.71 3gut h ILE 24 N 5.49 1.37 -3.51 2.92 2.04 0.22 -3.44 117.51 122.60 3gut h ILE 24 Ca -0.27 -2.36 -0.64 0.00 1.00 0.00 0.00 64.86 62.60 3gut h ILE 24 Cb 1.10 2.95 -0.40 0.00 -0.74 0.00 0.00 36.82 39.73 3gut h ILE 24 CO 0.97 0.59 -0.72 -0.70 0.00 0.00 0.00 178.15 178.28 3gut s GLU 25 N -2.35 1.33 0.73 2.37 2.56 0.18 -4.93 118.70 118.59 3gut s GLU 25 Ca -0.20 -1.75 -0.14 0.00 0.00 0.00 0.00 54.97 52.87 3gut s GLU 25 Cb 0.01 -2.89 0.04 0.00 2.00 0.00 0.00 34.13 33.29 3gut s GLU 25 CO 0.71 -0.97 1.15 -0.65 -0.56 0.00 0.00 175.26 174.94 3gut s GLN 26 N 0.95 2.25 0.68 4.30 -1.52 -1.26 -0.64 119.66 124.42 3gut s GLN 26 Ca 0.11 1.54 -0.11 0.00 -1.95 0.00 0.00 55.36 54.95 3gut s GLN 26 Cb -0.19 -1.87 -0.00 0.00 -0.22 0.00 0.00 33.01 30.73 3gut s GLN 26 CO -0.11 -1.70 1.06 -1.25 -0.25 0.00 0.00 175.29 173.04 3gut s PRO 27 N -4.17 3.06 0.29 2.91 0.04 -1.26 -3.23 135.00 132.64 3gut s PRO 27 Ca 0.69 0.77 -0.29 0.00 0.04 0.00 0.00 61.00 62.21 3gut s PRO 27 Cb -0.24 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.18 3gut s PRO 27 CO 0.47 -0.97 1.25 0.21 0.04 0.00 0.00 177.00 178.00 3gut s LYS 28 N -5.15 4.44 -0.07 4.56 2.20 1.11 -4.66 119.74 122.17 3gut s LYS 28 Ca 0.57 2.08 -0.17 0.00 -0.36 0.00 0.00 55.97 58.09 3gut s LYS 28 Cb -0.13 -3.12 -0.13 0.00 -1.51 0.00 0.00 37.83 32.94 3gut s LYS 28 CO 0.54 -0.09 0.67 1.96 -0.36 0.00 0.00 175.35 178.07 3gut h GLN 29 N 3.85 -0.20 -6.11 4.03 4.20 -1.87 -3.44 115.11 115.57 3gut h GLN 29 Ca -0.48 0.01 -0.55 0.00 0.06 0.00 0.00 58.65 57.70 3gut h GLN 29 Cb 1.22 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 28.96 3gut h GLN 29 CO 0.68 0.17 -0.56 1.03 -0.67 0.00 0.00 178.83 179.48 3gut s ARG 30 N -2.94 2.34 0.00 1.46 0.52 -1.26 -0.38 118.95 118.69 3gut s ARG 30 Ca -0.10 -1.53 0.00 0.00 -0.52 0.00 0.00 55.73 53.57 3gut s ARG 30 Cb 0.00 -2.16 0.00 0.00 0.52 0.00 0.00 34.95 33.31 3gut s ARG 30 CO 0.38 0.17 0.00 0.41 0.02 0.00 0.00 175.30 176.27 3gut n GLY 31 N -1.09 3.21 3.76 -3.53 0.00 -1.26 -5.00 105.19 101.29 3gut n GLY 31 Ca -0.04 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 3gut n GLY 31 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gut s MET 32 N 0.00 4.72 -0.11 1.61 -1.94 -1.26 -4.69 119.30 117.63 3gut s MET 32 Ca 0.00 1.44 -0.01 0.00 -1.71 0.00 0.00 55.69 55.41 3gut s MET 32 Cb 0.00 -3.06 -0.02 0.00 2.01 0.00 0.00 34.83 33.75 3gut s MET 32 CO 0.00 0.39 -0.08 -0.98 -0.01 0.00 0.00 175.02 174.34 3gut s ARG 33 N -1.58 3.23 0.38 2.03 1.70 -1.26 -2.27 118.95 121.18 3gut s ARG 33 Ca 0.45 -0.59 -0.26 0.00 -0.47 0.00 0.00 55.73 54.86 3gut s ARG 33 Cb -0.23 -2.69 -0.09 0.00 -0.57 0.00 0.00 34.95 31.37 3gut s ARG 33 CO 0.29 0.38 1.21 -0.06 -1.08 0.00 0.00 175.30 176.04 3gut s PHE 34 N -0.06 3.06 0.21 5.89 0.08 -1.26 -4.93 117.98 120.97 3gut s PHE 34 Ca -0.00 1.52 0.08 0.00 0.12 0.00 0.00 56.93 58.64 3gut s PHE 34 Cb -0.14 -3.48 -0.04 0.00 -0.57 0.00 0.00 43.02 38.79 3gut s PHE 34 CO 0.03 -1.48 0.05 1.03 -0.10 0.00 0.00 175.22 174.75 3gut s ARG 35 N -2.13 2.54 0.64 0.44 1.81 -1.20 -4.83 118.95 116.21 3gut s ARG 35 Ca 0.55 -1.15 -0.04 0.00 -1.72 0.00 0.00 55.73 53.37 3gut s ARG 35 Cb -0.34 -2.38 0.05 0.00 -0.45 0.00 0.00 34.95 31.83 3gut s ARG 35 CO 0.43 0.43 0.92 0.71 -0.68 0.00 0.00 175.30 177.10 3gut s TYR 36 N -1.96 2.92 0.23 -0.53 1.51 -1.26 -0.68 117.35 117.58 3gut s TYR 36 Ca 0.30 0.29 -0.02 0.00 -1.01 0.00 0.00 57.07 56.63 3gut s TYR 36 Cb -0.08 -3.00 0.23 0.00 -0.11 0.00 0.00 41.96 39.00 3gut s TYR 36 CO 0.21 -1.17 1.61 -0.22 -1.11 0.00 0.00 175.55 174.87 3gut h LYS 37 N -0.32 0.59 0.00 -0.62 3.64 -1.93 -2.34 116.57 115.59 3gut h LYS 37 Ca -0.44 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 58.66 3gut h LYS 37 Cb 1.30 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 3gut h LYS 37 CO 0.57 0.87 0.00 0.00 -2.27 0.00 0.00 179.45 178.62 3gut n GLU 39 N -1.29 2.38 -1.17 0.00 1.02 -0.88 -4.94 120.64 115.76 3gut n GLU 39 Ca 0.09 0.00 -0.48 0.00 -0.02 0.00 0.00 57.16 56.74 3gut n GLU 39 Cb 0.15 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.49 3gut n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gut n GLY 40 N 5.00 0.06 0.54 0.62 0.00 -1.26 -4.63 105.19 105.51 3gut n GLY 40 Ca 0.00 0.77 0.44 0.00 0.00 0.00 0.00 46.02 47.23 3gut n GLY 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3gut n ARG 41 N 3.83 -0.03 -5.14 1.61 0.63 -1.26 -3.93 116.66 112.37 3gut n ARG 41 Ca 0.29 1.20 -0.31 0.00 -0.92 0.00 0.00 57.85 58.11 3gut n ARG 41 Cb -0.04 -2.46 -0.15 0.00 0.45 0.00 0.00 32.46 30.26 3gut n ARG 41 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3gut s SER 42 N -4.15 3.08 0.00 6.15 0.15 -1.26 -5.07 113.70 112.59 3gut s SER 42 Ca -0.07 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.07 3gut s SER 42 Cb 0.30 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 3gut s SER 42 CO 0.83 0.29 0.00 0.00 1.20 0.00 0.00 173.24 175.57 3gut n ALA 43 N 2.18 0.00 -3.00 5.45 0.00 -1.25 -5.09 120.51 118.80 3gut n ALA 43 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3gut n ALA 43 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3gut n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gut n GLY 44 N 5.00 4.93 3.59 0.00 0.00 -1.26 -5.04 105.19 112.41 3gut n GLY 44 Ca 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 46.02 45.28 3gut n GLY 44 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gut s SER 45 N 1.00 -0.98 0.14 1.61 0.15 -1.26 -4.66 113.70 109.70 3gut s SER 45 Ca 0.00 1.48 -0.32 0.00 0.70 0.00 0.00 55.95 57.80 3gut s SER 45 Cb 0.00 1.91 -0.12 0.00 -1.71 0.00 0.00 66.02 66.10 3gut s SER 45 CO 0.00 -0.23 1.74 -0.38 1.20 0.00 0.00 173.24 175.57 3gut n ILE 46 N 5.10 0.17 -1.68 6.45 -0.00 0.18 -4.93 119.36 124.64 3gut n ILE 46 Ca -0.14 -0.03 -0.30 0.00 -0.00 0.00 0.00 62.75 62.27 3gut n ILE 46 Cb 0.52 -1.91 0.05 0.00 -0.00 0.00 0.00 39.64 38.31 3gut n ILE 46 CO 0.00 0.00 0.00 -2.84 -0.00 0.00 0.00 176.55 173.71 3gut s PRO 47 N 1.85 2.78 0.00 0.38 0.02 -1.26 -4.56 135.00 134.21 3gut s PRO 47 Ca 0.80 0.72 0.00 0.00 0.02 0.00 0.00 61.00 62.54 3gut s PRO 47 Cb -0.56 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 31.97 3gut s PRO 47 CO 0.37 -1.15 0.00 0.41 -0.33 0.00 0.00 177.00 176.30 3gut n GLY 48 N -2.37 -1.00 0.00 0.52 0.00 -0.08 -2.72 105.19 99.54 3gut n GLY 48 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3gut n GLY 48 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3gut n GLU 49 N 0.00 0.00 0.00 1.61 2.13 -1.20 0.36 120.64 123.54 3gut n GLU 49 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3gut n GLU 49 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3gut n GLU 49 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3gut n ARG 50 N 0.00 0.92 -2.50 5.31 1.74 -1.26 -4.92 116.66 115.95 3gut n ARG 50 Ca 0.00 -0.78 -0.41 0.00 -0.77 0.00 0.00 57.85 55.89 3gut n ARG 50 Cb 0.15 -0.76 -0.04 0.00 -1.02 0.00 0.00 32.46 30.80 3gut n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3gut s SER 51 N -0.36 7.24 0.37 0.55 1.04 -1.26 -4.76 113.70 116.52 3gut s SER 51 Ca 0.00 2.10 0.01 0.00 0.48 0.00 0.00 55.95 58.54 3gut s SER 51 Cb 0.00 -2.60 -0.00 0.00 0.10 0.00 0.00 66.02 63.51 3gut s SER 51 CO 0.00 -0.24 0.04 0.35 0.98 0.00 0.00 173.24 174.37 3gut n THR 52 N 2.43 0.00 -0.23 2.02 -2.24 0.36 -4.85 114.28 111.76 3gut n THR 52 Ca 0.03 -1.87 -0.04 0.00 -2.27 0.00 0.00 64.05 59.89 3gut n THR 52 Cb 0.46 0.48 0.12 0.00 -2.10 0.00 0.00 70.33 69.29 3gut n THR 52 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3gut h ASP 53 N 1.07 0.98 0.39 3.42 3.32 -2.03 -3.24 116.42 120.33 3gut h ASP 53 Ca -0.30 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 3gut h ASP 53 Cb 0.98 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.28 3gut h ASP 53 CO 0.49 0.88 -0.19 0.00 -1.72 0.00 0.00 179.24 178.71 3gut h THR 54 N 1.03 0.00 -3.31 0.35 1.03 -2.00 -3.44 112.91 106.57 3gut h THR 54 Ca 0.24 -0.25 -0.66 0.00 -0.01 0.00 0.00 66.41 65.73 3gut h THR 54 Cb 0.22 0.00 -0.28 0.00 -1.07 0.00 0.00 68.15 67.02 3gut h THR 54 CO -0.02 0.00 -0.78 0.42 -0.01 0.00 0.00 175.52 175.13 3gut s THR 55 N -3.49 2.91 -0.17 0.00 -4.23 -1.22 -5.12 115.64 104.32 3gut s THR 55 Ca -0.08 -0.70 -0.07 0.00 -1.18 0.00 0.00 61.69 59.67 3gut s THR 55 Cb 0.01 -2.23 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 3gut s THR 55 CO 0.23 0.51 0.06 -0.75 -0.54 0.00 0.00 174.62 174.13 3gut s LYS 56 N 0.60 3.85 0.54 3.99 2.20 -1.25 0.13 119.74 129.80 3gut s LYS 56 Ca -0.08 -0.34 0.04 0.00 -0.36 0.00 0.00 55.97 55.23 3gut s LYS 56 Cb -0.16 -3.17 0.03 0.00 -1.51 0.00 0.00 37.83 33.02 3gut s LYS 56 CO 0.03 0.35 0.28 0.95 -0.36 0.00 0.00 175.35 176.60 3gut s THR 57 N 0.16 1.44 0.19 3.43 -4.23 -1.26 -4.95 115.64 110.41 3gut s THR 57 Ca 0.04 -1.65 -0.12 0.00 -1.18 0.00 0.00 61.69 58.78 3gut s THR 57 Cb -0.12 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.63 3gut s THR 57 CO 0.01 0.00 0.38 -1.00 -0.54 0.00 0.00 174.62 173.47 3gut s HIS 58 N -2.82 0.25 -0.27 3.99 0.09 -1.26 -0.90 115.29 114.36 3gut s HIS 58 Ca 0.24 -0.60 -0.40 0.00 -0.00 0.00 0.00 55.06 54.30 3gut s HIS 58 Cb -0.01 0.11 -0.15 0.00 -0.00 0.00 0.00 32.58 32.52 3gut s HIS 58 CO 0.15 -0.82 1.75 -2.30 -0.00 0.00 0.00 174.74 173.51 3gut n PRO 59 N -0.28 1.19 -3.78 8.40 -0.02 -1.26 -4.64 135.00 134.62 3gut n PRO 59 Ca -0.07 0.44 -0.21 0.00 -2.02 0.00 0.00 63.50 61.63 3gut n PRO 59 Cb 0.63 -2.13 -0.17 0.00 -0.02 0.00 0.00 33.50 31.81 3gut n PRO 59 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3gut s THR 60 N 3.53 0.21 0.36 3.45 2.01 0.19 -0.66 115.64 124.73 3gut s THR 60 Ca 0.98 0.20 0.07 0.00 0.31 0.00 0.00 61.69 63.25 3gut s THR 60 Cb -1.06 -0.38 -0.01 0.00 0.01 0.00 0.00 72.50 71.06 3gut s THR 60 CO 0.65 0.22 0.43 0.27 -0.69 0.00 0.00 174.62 175.50 3gut s ILE 61 N 1.85 3.51 -0.06 1.82 -4.36 -0.81 0.21 121.20 123.37 3gut s ILE 61 Ca 0.02 -1.15 -0.01 0.00 -0.26 0.00 0.00 60.65 59.25 3gut s ILE 61 Cb -0.12 -3.21 0.03 0.00 1.25 0.00 0.00 42.46 40.40 3gut s ILE 61 CO -0.04 -0.11 0.01 -0.75 0.24 0.00 0.00 174.94 174.29 3gut s LYS 62 N -4.15 0.47 -0.19 0.37 2.20 0.24 -2.21 119.74 116.46 3gut s LYS 62 Ca 0.46 0.12 -0.19 0.00 -0.36 0.00 0.00 55.97 56.01 3gut s LYS 62 Cb -0.08 -0.80 -0.03 0.00 -1.51 0.00 0.00 37.83 35.41 3gut s LYS 62 CO 0.30 -0.25 0.53 0.42 -0.36 0.00 0.00 175.35 175.98 3gut s ILE 63 N 1.73 5.11 -0.22 5.43 1.01 -0.73 -1.11 121.20 132.40 3gut s ILE 63 Ca 0.01 0.98 -0.09 0.00 0.00 0.00 0.00 60.65 61.55 3gut s ILE 63 Cb -0.13 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 3gut s ILE 63 CO -0.04 0.19 0.12 0.20 0.00 0.00 0.00 174.94 175.40 3gut s ASN 64 N 1.10 5.80 0.00 3.58 -0.87 0.36 -4.40 114.94 120.50 3gut s ASN 64 Ca 0.25 0.05 0.00 0.00 -1.57 0.00 0.00 52.86 51.58 3gut s ASN 64 Cb -0.15 -2.03 0.00 0.00 -0.02 0.00 0.00 41.25 39.04 3gut s ASN 64 CO 0.10 0.08 0.00 0.61 -2.57 0.00 0.00 177.10 175.32 3gut n GLY 65 N 4.17 0.86 3.59 0.66 0.00 -1.26 -2.12 105.19 111.09 3gut n GLY 65 Ca -0.16 -0.60 0.02 0.00 0.00 0.00 0.00 46.02 45.29 3gut n GLY 65 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3gut s TYR 66 N -2.30 -0.16 -0.17 1.61 6.14 -1.26 -4.53 117.35 116.68 3gut s TYR 66 Ca 0.00 0.31 -0.05 0.00 0.64 0.00 0.00 57.07 57.97 3gut s TYR 66 Cb 0.00 0.09 0.07 0.00 0.42 0.00 0.00 41.96 42.54 3gut s TYR 66 CO 0.00 -0.08 0.13 0.99 0.64 0.00 0.00 175.55 177.23 3gut s THR 67 N 1.24 -0.16 -4.80 4.34 2.01 -1.26 -4.78 115.64 112.22 3gut s THR 67 Ca -0.07 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 61.81 3gut s THR 67 Cb -0.02 -0.58 0.00 0.00 0.01 0.00 0.00 72.50 71.91 3gut s THR 67 CO -0.11 -0.23 0.00 0.61 -0.69 0.00 0.00 174.62 174.19 3gut n GLY 68 N 5.29 -2.41 3.53 4.40 0.00 -0.32 -4.92 105.19 110.77 3gut n GLY 68 Ca -0.06 -1.28 -0.44 0.00 0.00 0.00 0.00 46.02 44.23 3gut n GLY 68 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gut n PRO 69 N -0.66 0.97 -3.40 1.61 -0.02 -1.26 -4.33 135.00 127.91 3gut n PRO 69 Ca 0.00 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 3gut n PRO 69 Cb 0.00 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3gut n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gut n GLY 70 N 1.46 -1.30 3.18 -1.23 0.00 -1.26 -4.29 105.19 101.75 3gut n GLY 70 Ca 0.11 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 3gut n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gut s THR 71 N -3.00 0.11 -0.03 2.61 -4.23 -0.73 -2.16 115.64 108.21 3gut s THR 71 Ca 0.00 -0.87 0.02 0.00 -1.18 0.00 0.00 61.69 59.66 3gut s THR 71 Cb 0.00 -0.88 0.01 0.00 1.34 0.00 0.00 72.50 72.96 3gut s THR 71 CO 0.00 -0.48 -0.08 0.54 -0.54 0.00 0.00 174.62 174.06 3gut s VAL 72 N -2.48 0.75 -0.14 2.29 0.11 -0.60 0.40 120.40 120.72 3gut s VAL 72 Ca -0.06 -0.32 0.02 0.00 -2.93 0.00 0.00 61.98 58.69 3gut s VAL 72 Cb -0.01 -0.68 0.01 0.00 -1.53 0.00 0.00 36.38 34.17 3gut s VAL 72 CO -0.03 0.24 -0.19 -0.60 -3.33 0.00 0.00 175.10 171.19 3gut s ARG 73 N 0.31 2.67 -0.32 1.54 3.52 -0.39 -2.29 118.95 124.00 3gut s ARG 73 Ca -0.05 -0.72 -0.11 0.00 -0.13 0.00 0.00 55.73 54.72 3gut s ARG 73 Cb -0.10 -2.24 -0.02 0.00 -1.56 0.00 0.00 34.95 31.04 3gut s ARG 73 CO 0.01 -0.09 0.19 0.42 -0.81 0.00 0.00 175.30 175.02 3gut s ILE 74 N 1.03 5.00 0.08 4.11 -1.09 0.16 -1.55 121.20 128.94 3gut s ILE 74 Ca -0.04 -0.24 0.09 0.00 -2.23 0.00 0.00 60.65 58.24 3gut s ILE 74 Cb -0.15 -3.53 -0.03 0.00 -1.58 0.00 0.00 42.46 37.17 3gut s ILE 74 CO -0.05 0.07 -0.22 -0.55 -1.23 0.00 0.00 174.94 172.96 3gut s SER 75 N 1.68 3.53 -0.20 3.58 0.15 -0.55 -1.64 113.70 120.25 3gut s SER 75 Ca 0.06 -0.57 -0.24 0.00 0.70 0.00 0.00 55.95 55.90 3gut s SER 75 Cb -0.17 -0.42 -0.02 0.00 -1.71 0.00 0.00 66.02 63.71 3gut s SER 75 CO 0.09 0.23 0.77 -0.76 1.20 0.00 0.00 173.24 174.76 3gut s LEU 76 N -1.65 4.14 0.39 3.45 1.02 -1.26 0.58 118.68 125.34 3gut s LEU 76 Ca 0.14 1.03 0.04 0.00 0.02 0.00 0.00 54.13 55.35 3gut s LEU 76 Cb -0.10 -3.11 -0.03 0.00 0.02 0.00 0.00 46.19 42.96 3gut s LEU 76 CO 0.05 -0.39 0.11 0.68 0.02 0.00 0.00 176.35 176.82 3gut s VAL 77 N 2.27 0.75 0.62 -1.59 -7.23 -1.04 -0.85 120.40 113.33 3gut s VAL 77 Ca 0.34 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.37 3gut s VAL 77 Cb -0.16 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.31 3gut s VAL 77 CO 0.10 0.00 1.06 0.42 -0.31 0.00 0.00 175.10 176.37 3gut s THR 78 N -3.24 3.89 0.04 5.32 -4.23 0.03 -3.03 115.64 114.44 3gut s THR 78 Ca 0.26 0.81 -0.32 0.00 -1.18 0.00 0.00 61.69 61.26 3gut s THR 78 Cb 0.04 -3.39 -0.18 0.00 1.34 0.00 0.00 72.50 70.31 3gut s THR 78 CO 0.14 -0.62 1.42 0.50 -0.54 0.00 0.00 174.62 175.52 3gut h LYS 79 N 0.09 -1.12 -6.99 3.99 3.64 -1.89 -3.43 116.57 110.87 3gut h LYS 79 Ca -0.46 0.08 -0.47 0.00 -1.27 0.00 0.00 60.65 58.52 3gut h LYS 79 Cb 1.22 0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 33.29 3gut h LYS 79 CO 0.57 -0.75 0.25 -0.51 -2.27 0.00 0.00 179.45 176.74 3gut s ASP 80 N -3.92 6.69 0.00 4.20 1.01 -1.26 -4.97 116.67 118.43 3gut s ASP 80 Ca -0.17 1.43 0.00 0.00 0.71 0.00 0.00 52.55 54.52 3gut s ASP 80 Cb 0.02 -2.44 0.00 0.00 1.01 0.00 0.00 42.92 41.50 3gut s ASP 80 CO 0.51 -0.42 0.00 -2.65 0.21 0.00 0.00 175.17 172.82 3gut n PRO 81 N -1.07 0.00 -2.23 8.23 -0.02 -1.26 -3.57 135.00 135.07 3gut n PRO 81 Ca 0.05 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.21 3gut n PRO 81 Cb 0.54 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.98 3gut n PRO 81 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3gut s PRO 82 N -0.25 2.95 -0.91 0.52 0.02 -1.26 -4.83 135.00 131.24 3gut s PRO 82 Ca 0.00 -1.01 -0.24 0.00 0.02 0.00 0.00 61.00 59.77 3gut s PRO 82 Cb 0.00 -5.25 -0.16 0.00 0.02 0.00 0.00 34.50 29.11 3gut s PRO 82 CO 0.00 -3.19 1.91 0.72 -0.33 0.00 0.00 177.00 176.11 3gut n HIS 83 N 12.30 1.99 -2.25 6.54 8.25 -1.23 -4.81 115.22 136.00 3gut n HIS 83 Ca 0.42 -1.39 -0.33 0.00 -0.26 0.00 0.00 57.72 56.16 3gut n HIS 83 Cb 0.47 -2.10 -0.01 0.00 1.12 0.00 0.00 29.99 29.47 3gut n HIS 83 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3gut s ARG 84 N 6.15 3.55 0.14 -0.41 0.52 -1.26 -4.57 118.95 123.07 3gut s ARG 84 Ca 0.66 1.22 -0.31 0.00 -0.52 0.00 0.00 55.73 56.77 3gut s ARG 84 Cb 0.06 -2.07 -0.09 0.00 0.52 0.00 0.00 34.95 33.37 3gut s ARG 84 CO 0.16 -0.62 1.57 -1.25 0.02 0.00 0.00 175.30 175.17 3gut s PRO 85 N -3.81 4.22 0.40 3.54 0.04 -1.26 -0.79 135.00 137.35 3gut s PRO 85 Ca 0.64 2.33 -0.25 0.00 0.04 0.00 0.00 61.00 63.76 3gut s PRO 85 Cb -0.15 -3.25 -0.09 0.00 0.04 0.00 0.00 34.50 31.05 3gut s PRO 85 CO 0.31 -0.62 1.12 -1.58 0.04 0.00 0.00 177.00 176.27 3gut s HIS 86 N 1.43 3.15 0.48 0.56 2.46 -0.03 -4.79 115.29 118.56 3gut s HIS 86 Ca 0.70 1.60 0.14 0.00 0.47 0.00 0.00 55.06 57.97 3gut s HIS 86 Cb -0.42 -3.28 1.13 0.00 -0.13 0.00 0.00 32.58 29.88 3gut s HIS 86 CO 0.31 -1.03 2.09 -1.35 -2.47 0.00 0.00 174.74 172.30 3gut h PRO 87 N 2.57 0.08 -7.04 2.88 0.11 -1.92 -3.44 132.00 125.24 3gut h PRO 87 Ca -0.48 -0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.09 3gut h PRO 87 Cb 1.23 -0.02 0.10 0.00 0.11 0.00 0.00 31.00 32.42 3gut h PRO 87 CO 0.62 0.10 0.53 -1.01 -0.21 0.00 0.00 178.00 178.04 3gut s HIS 88 N -5.01 2.54 -0.16 0.65 3.76 -1.26 -4.73 115.29 111.08 3gut s HIS 88 Ca -0.05 1.47 -0.05 0.00 -0.15 0.00 0.00 55.06 56.27 3gut s HIS 88 Cb 0.17 -3.57 -0.03 0.00 1.11 0.00 0.00 32.58 30.25 3gut s HIS 88 CO 0.69 -2.21 0.00 -1.21 -0.85 0.00 0.00 174.74 171.16 3gut s GLU 89 N -2.90 3.73 -0.33 1.40 2.02 -0.01 -4.85 118.70 117.77 3gut s GLU 89 Ca 0.69 -0.45 -0.23 0.00 0.02 0.00 0.00 54.97 55.00 3gut s GLU 89 Cb -0.34 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 30.88 3gut s GLU 89 CO 0.40 0.29 0.79 -1.17 0.02 0.00 0.00 175.26 175.59 3gut s LEU 90 N 0.27 4.09 0.11 1.80 2.96 -1.15 0.11 118.68 126.87 3gut s LEU 90 Ca -0.00 0.56 0.09 0.00 -0.22 0.00 0.00 54.13 54.56 3gut s LEU 90 Cb -0.13 -3.07 -0.04 0.00 0.50 0.00 0.00 46.19 43.45 3gut s LEU 90 CO 0.02 -0.66 -0.23 0.68 -1.32 0.00 0.00 176.35 174.83 3gut s VAL 91 N 3.03 1.93 -4.28 1.68 -7.23 0.74 -3.88 120.40 112.39 3gut s VAL 91 Ca 0.32 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 3gut s VAL 91 Cb -0.14 -1.73 0.00 0.00 0.56 0.00 0.00 36.38 35.07 3gut s VAL 91 CO 0.14 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.55 3gut n GLY 92 N 1.03 0.31 3.70 2.32 0.00 -1.26 -1.04 105.19 110.25 3gut n GLY 92 Ca -0.19 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 3gut n GLY 92 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gut s LYS 93 N -2.00 4.29 -1.05 1.61 2.47 -1.22 -2.82 119.74 121.01 3gut s LYS 93 Ca 0.00 2.07 0.00 0.00 -1.56 0.00 0.00 55.97 56.48 3gut s LYS 93 Cb 0.00 -3.43 0.00 0.00 -1.46 0.00 0.00 37.83 32.94 3gut s LYS 93 CO 0.00 -0.54 0.00 -0.25 0.16 0.00 0.00 175.35 174.72 3gut n ASP 94 N 4.77 -4.26 -4.91 1.43 8.00 -1.26 -4.86 116.55 115.46 3gut n ASP 94 Ca 0.13 0.24 -0.20 0.00 0.71 0.00 0.00 54.79 55.67 3gut n ASP 94 Cb 0.43 -2.63 -0.02 0.00 -0.02 0.00 0.00 41.12 38.87 3gut n ASP 94 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gut s ARG 96 N -4.16 0.18 -0.29 0.00 1.70 -0.03 -4.89 118.95 111.46 3gut s ARG 96 Ca 0.48 -0.08 -0.04 0.00 -0.47 0.00 0.00 55.73 55.63 3gut s ARG 96 Cb -0.05 0.08 0.03 0.00 -0.57 0.00 0.00 34.95 34.44 3gut s ARG 96 CO 0.29 -0.08 0.09 -0.25 -1.08 0.00 0.00 175.30 174.27 3gut n ASP 97 N -0.16 -1.16 -0.20 -2.89 9.92 -1.26 0.73 116.55 121.54 3gut n ASP 97 Ca -0.00 0.24 -0.03 0.00 -0.53 0.00 0.00 54.79 54.47 3gut n ASP 97 Cb 0.59 -1.11 -0.01 0.00 -0.64 0.00 0.00 41.12 39.94 3gut n ASP 97 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3gut n GLY 98 N -0.59 0.59 3.16 0.44 0.00 -1.26 -4.93 105.19 102.59 3gut n GLY 98 Ca 0.02 -0.64 -0.08 0.00 0.00 0.00 0.00 46.02 45.31 3gut n GLY 98 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gut s TYR 99 N -2.04 0.25 -0.06 1.61 -0.85 0.23 -2.92 117.35 113.56 3gut s TYR 99 Ca 0.00 -0.68 -0.01 0.00 -0.52 0.00 0.00 57.07 55.86 3gut s TYR 99 Cb 0.00 -0.16 -0.03 0.00 0.38 0.00 0.00 41.96 42.15 3gut s TYR 99 CO 0.00 -0.46 0.01 -0.47 -1.52 0.00 0.00 175.55 173.10 3gut s TYR 100 N -3.59 3.15 -0.21 -3.49 6.14 -0.65 -0.85 117.35 117.83 3gut s TYR 100 Ca 0.03 0.17 -0.16 0.00 0.64 0.00 0.00 57.07 57.75 3gut s TYR 100 Cb 0.04 -1.75 0.06 0.00 0.42 0.00 0.00 41.96 40.73 3gut s TYR 100 CO -0.09 0.47 0.54 -2.00 0.64 0.00 0.00 175.55 175.11 3gut s GLU 101 N -1.12 0.59 0.29 4.97 2.12 -1.03 0.40 118.70 124.92 3gut s GLU 101 Ca 0.16 0.88 -0.19 0.00 0.36 0.00 0.00 54.97 56.18 3gut s GLU 101 Cb -0.11 0.18 0.07 0.00 0.26 0.00 0.00 34.13 34.52 3gut s GLU 101 CO 0.05 -0.12 0.93 0.00 -0.54 0.00 0.00 175.26 175.59 3gut s ALA 102 N 0.91 -1.16 0.47 6.30 0.00 -0.97 -4.75 121.76 122.55 3gut s ALA 102 Ca -0.05 -0.59 -0.07 0.00 0.00 0.00 0.00 51.96 51.25 3gut s ALA 102 Cb -0.05 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 3gut s ALA 102 CO -0.08 -1.03 0.80 -0.51 0.00 0.00 0.00 175.76 174.94 3gut s ASP 103 N -3.29 6.33 0.13 0.00 1.01 -1.26 -1.56 116.67 118.02 3gut s ASP 103 Ca 0.20 1.01 -0.12 0.00 0.71 0.00 0.00 52.55 54.35 3gut s ASP 103 Cb -0.04 -2.28 -0.06 0.00 1.01 0.00 0.00 42.92 41.54 3gut s ASP 103 CO 0.09 -0.55 0.49 -0.76 0.21 0.00 0.00 175.17 174.65 3gut s LEU 104 N -4.53 4.32 -0.19 1.23 1.02 -0.92 -4.76 118.68 114.85 3gut s LEU 104 Ca 0.49 0.95 -0.29 0.00 0.02 0.00 0.00 54.13 55.30 3gut s LEU 104 Cb -0.10 -3.20 -0.04 0.00 0.02 0.00 0.00 46.19 42.86 3gut s LEU 104 CO 0.42 0.11 1.86 0.00 0.02 0.00 0.00 176.35 178.76 3gut h PRO 106 N 12.11 0.00 -0.34 0.00 0.13 -1.95 -2.63 132.00 139.32 3gut h PRO 106 Ca -0.38 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.72 3gut h PRO 106 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 3gut h PRO 106 CO 0.98 0.00 0.01 -0.40 -0.23 0.00 0.00 178.00 178.37 3gut n ASP 107 N -3.64 4.12 -3.90 1.44 5.68 -1.26 -1.17 116.55 117.81 3gut n ASP 107 Ca -0.01 -3.08 -0.11 0.00 -0.50 0.00 0.00 54.79 51.09 3gut n ASP 107 Cb 0.20 -0.59 -0.11 0.00 -1.14 0.00 0.00 41.12 39.48 3gut n ASP 107 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3gut s ARG 108 N -2.87 0.31 0.00 0.11 3.52 -0.99 -5.02 118.95 114.01 3gut s ARG 108 Ca 0.45 -0.33 0.22 0.00 -0.13 0.00 0.00 55.73 55.94 3gut s ARG 108 Cb 0.36 0.12 -0.08 0.00 -1.56 0.00 0.00 34.95 33.80 3gut s ARG 108 CO 0.10 -0.06 1.03 0.45 -0.81 0.00 0.00 175.30 176.00 3gut n SER 109 N 1.96 1.68 -4.23 -2.12 2.88 -1.26 -4.67 113.62 107.86 3gut n SER 109 Ca -0.20 -1.34 -0.31 0.00 -1.33 0.00 0.00 58.87 55.68 3gut n SER 109 Cb 0.56 0.65 -0.17 0.00 -0.75 0.00 0.00 64.21 64.51 3gut n SER 109 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3gut s ILE 110 N -2.66 2.02 -0.05 2.46 1.01 -1.26 -1.78 121.20 120.95 3gut s ILE 110 Ca 0.15 -1.02 -0.02 0.00 0.00 0.00 0.00 60.65 59.76 3gut s ILE 110 Cb 0.17 -1.73 0.03 0.00 0.01 0.00 0.00 42.46 40.94 3gut s ILE 110 CO 0.67 0.56 0.04 -1.00 0.00 0.00 0.00 174.94 175.21 3gut s HIS 111 N 0.15 0.26 0.02 3.97 3.76 -0.94 -4.99 115.29 117.53 3gut s HIS 111 Ca -0.13 0.11 -0.00 0.00 -0.15 0.00 0.00 55.06 54.89 3gut s HIS 111 Cb -0.16 -0.57 -0.04 0.00 1.11 0.00 0.00 32.58 32.92 3gut s HIS 111 CO 0.07 -0.23 0.12 -1.54 -0.85 0.00 0.00 174.74 172.31 3gut s SER 112 N 2.01 5.91 -0.34 1.40 1.04 -1.26 -1.92 113.70 120.54 3gut s SER 112 Ca 0.04 0.17 -0.00 0.00 0.48 0.00 0.00 55.95 56.64 3gut s SER 112 Cb -0.12 -1.73 0.08 0.00 0.10 0.00 0.00 66.02 64.35 3gut s SER 112 CO -0.04 0.23 0.07 -0.36 0.98 0.00 0.00 173.24 174.13 3gut s PHE 113 N -1.32 3.51 -2.14 5.02 0.08 0.16 -4.96 117.98 118.33 3gut s PHE 113 Ca 0.27 -2.40 0.16 0.00 0.12 0.00 0.00 56.93 55.09 3gut s PHE 113 Cb -0.12 -2.69 0.64 0.00 -0.57 0.00 0.00 43.02 40.27 3gut s PHE 113 CO 0.19 -0.91 1.46 0.00 -0.10 0.00 0.00 175.22 175.86 3gut n GLN 114 N 4.50 1.57 -3.12 0.44 10.64 -1.26 -4.23 117.38 125.92 3gut n GLN 114 Ca -0.05 -0.87 -0.21 0.00 -1.83 0.00 0.00 57.00 54.05 3gut n GLN 114 Cb 0.42 -1.31 -0.03 0.00 -0.86 0.00 0.00 30.24 28.45 3gut n GLN 114 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3gut n ASN 115 N 0.12 1.89 -4.54 2.61 5.03 -1.26 -4.84 115.26 114.27 3gut n ASN 115 Ca 0.13 -3.20 -0.36 0.00 0.87 0.00 0.00 54.58 52.03 3gut n ASN 115 Cb 0.25 -0.60 -0.11 0.00 -1.02 0.00 0.00 39.78 38.29 3gut n ASN 115 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3gut s LEU 116 N -2.70 3.63 -0.04 3.41 1.43 -1.26 -3.44 118.68 119.71 3gut s LEU 116 Ca 0.42 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.48 3gut s LEU 116 Cb 0.32 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.61 3gut s LEU 116 CO -0.10 0.06 -0.09 -0.83 0.23 0.00 0.00 176.35 175.63 3gut s GLY 117 N 1.05 0.58 -0.18 -3.19 0.00 -0.20 0.49 107.32 105.86 3gut s GLY 117 Ca 0.04 -0.27 -0.11 0.00 0.00 0.00 0.00 44.72 44.38 3gut s GLY 117 CO 0.03 0.11 0.18 -0.42 0.00 0.00 0.00 173.10 173.00 3gut s ILE 118 N 0.51 5.38 -0.18 0.90 1.09 -1.26 0.26 121.20 127.91 3gut s ILE 118 Ca -0.09 0.30 0.01 0.00 -1.10 0.00 0.00 60.65 59.77 3gut s ILE 118 Cb -0.12 -3.52 0.02 0.00 -1.06 0.00 0.00 42.46 37.79 3gut s ILE 118 CO 0.01 0.44 -0.17 -1.58 -0.10 0.00 0.00 174.94 173.54 3gut s GLN 119 N 0.30 2.69 0.23 2.79 0.74 0.12 -3.26 119.66 123.27 3gut s GLN 119 Ca 0.11 -0.78 -0.07 0.00 0.05 0.00 0.00 55.36 54.67 3gut s GLN 119 Cb -0.12 -2.44 -0.06 0.00 1.10 0.00 0.00 33.01 31.49 3gut s GLN 119 CO 0.00 -0.25 0.52 0.00 -0.55 0.00 0.00 175.29 175.01 3gut s VAL 121 N -1.88 2.84 0.10 0.00 -7.23 -1.26 -4.24 120.40 108.73 3gut s VAL 121 Ca 0.45 -0.87 -0.11 0.00 -1.81 0.00 0.00 61.98 59.63 3gut s VAL 121 Cb -0.11 -2.97 -0.06 0.00 0.56 0.00 0.00 36.38 33.80 3gut s VAL 121 CO 0.25 0.00 0.45 -0.54 -0.31 0.00 0.00 175.10 174.95 3gut s LYS 122 N -4.52 3.83 0.40 4.82 1.02 -1.26 -4.93 119.74 119.10 3gut s LYS 122 Ca 0.56 0.28 0.19 0.00 0.02 0.00 0.00 55.97 57.02 3gut s LYS 122 Cb -0.10 -2.98 1.05 0.00 -0.52 0.00 0.00 37.83 35.28 3gut s LYS 122 CO 0.35 0.54 1.53 -0.22 -0.92 0.00 0.00 175.35 176.63 3gut h LYS 123 N 3.68 0.00 0.01 1.68 1.63 -2.00 -0.95 116.57 120.62 3gut h LYS 123 Ca -0.49 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.31 3gut h LYS 123 Cb 1.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 3gut h LYS 123 CO 0.66 0.00 -0.00 -0.09 -3.45 0.00 0.00 179.45 176.57 3gut h ARG 124 N 0.00 -0.01 -0.91 1.90 2.43 -2.05 -3.32 114.38 112.41 3gut h ARG 124 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3gut h ARG 124 Cb 0.45 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 3gut h ARG 124 CO 0.00 0.74 0.06 -0.25 -1.51 0.00 0.00 179.97 179.01 3gut n ASP 125 N -4.67 2.64 0.02 -3.80 8.00 -0.40 -4.47 116.55 113.87 3gut n ASP 125 Ca -0.08 -2.33 -0.02 0.00 0.71 0.00 0.00 54.79 53.07 3gut n ASP 125 Cb 0.36 -0.57 -0.01 0.00 -0.02 0.00 0.00 41.12 40.88 3gut n ASP 125 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3gut h LEU 126 N 1.12 -0.19 -0.87 0.64 7.12 -1.56 -2.50 115.31 119.07 3gut h LEU 126 Ca 0.05 0.02 0.21 0.00 0.13 0.00 0.00 57.88 58.30 3gut h LEU 126 Cb 1.12 0.07 -0.12 0.00 -0.53 0.00 0.00 40.66 41.19 3gut h LEU 126 CO 0.20 -0.07 0.34 -0.33 -0.13 0.00 0.00 178.44 178.44 3gut h GLU 127 N -0.11 0.35 -0.27 1.25 4.39 -1.88 0.27 114.58 118.59 3gut h GLU 127 Ca -0.00 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 3gut h GLU 127 Cb 0.10 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3gut h GLU 127 CO -0.03 0.23 0.03 0.37 -1.16 0.00 0.00 179.01 178.45 3gut h GLN 128 N 0.36 0.39 -0.03 2.33 4.15 -1.87 -0.64 115.11 119.80 3gut h GLN 128 Ca 0.54 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.88 3gut h GLN 128 Cb 1.01 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.64 3gut h GLN 128 CO -0.54 0.39 -0.04 0.00 -1.93 0.00 0.00 178.83 176.71 3gut h ALA 129 N 1.66 0.04 -0.93 3.38 0.00 -0.04 -2.71 119.26 120.66 3gut h ALA 129 Ca 0.09 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 54.81 3gut h ALA 129 Cb 0.21 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 3gut h ALA 129 CO 0.00 -0.16 0.60 0.82 0.00 0.00 0.00 179.25 180.51 3gut h ILE 130 N -0.43 0.99 -0.98 0.00 2.04 -0.84 -0.51 117.51 117.78 3gut h ILE 130 Ca 0.00 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.54 3gut h ILE 130 Cb 0.58 -0.06 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 3gut h ILE 130 CO 0.01 0.18 0.65 0.77 0.00 0.00 0.00 178.15 179.75 3gut h SER 131 N 0.97 1.13 0.75 1.72 4.64 -1.04 -1.86 113.55 119.85 3gut h SER 131 Ca 0.43 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.68 3gut h SER 131 Cb 0.36 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3gut h SER 131 CO -0.19 0.82 -0.17 -0.61 -0.87 0.00 0.00 176.83 175.81 3gut h GLN 132 N 1.33 0.00 -0.06 4.77 4.15 -0.77 0.39 115.11 124.92 3gut h GLN 132 Ca 0.36 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.60 3gut h GLN 132 Cb -0.15 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.53 3gut h GLN 132 CO -0.08 0.17 -0.72 0.00 -1.93 0.00 0.00 178.83 176.28 3gut h ARG 133 N 0.00 0.33 0.18 1.69 2.47 -1.03 -2.60 114.38 115.43 3gut h ARG 133 Ca -0.00 -0.27 -0.01 0.00 -1.26 0.00 0.00 59.98 58.44 3gut h ARG 133 Cb 0.59 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.97 3gut h ARG 133 CO 0.02 0.92 -0.09 0.82 0.56 0.00 0.00 179.97 182.20 3gut h ILE 134 N 0.23 0.50 -0.57 2.04 1.08 -1.09 0.29 117.51 119.99 3gut h ILE 134 Ca -0.03 -1.05 0.13 0.00 -0.39 0.00 0.00 64.86 63.52 3gut h ILE 134 Cb 1.28 0.88 -0.03 0.00 -3.07 0.00 0.00 36.82 35.88 3gut h ILE 134 CO 0.12 0.14 0.39 0.06 -0.69 0.00 0.00 178.15 178.17 3gut h GLN 135 N -0.98 0.18 -0.31 2.37 -0.00 -1.02 0.10 115.11 115.45 3gut h GLN 135 Ca -0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 3gut h GLN 135 Cb 0.42 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 27.86 3gut h GLN 135 CO 0.04 0.12 0.00 -2.37 -0.00 0.00 0.00 178.83 176.62 3gut n THR 136 N -4.43 0.41 -3.21 1.86 5.66 -0.98 -4.98 114.28 108.61 3gut n THR 136 Ca 0.10 -0.55 -0.06 0.00 -3.05 0.00 0.00 64.05 60.49 3gut n THR 136 Cb 0.51 0.57 0.01 0.00 -1.55 0.00 0.00 70.33 69.86 3gut n THR 136 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 3gut n ASN 137 N 0.85 -7.18 -3.78 1.09 5.03 0.02 -4.99 115.26 106.30 3gut n ASN 137 Ca 0.17 -0.30 -0.30 0.00 0.87 0.00 0.00 54.58 55.02 3gut n ASN 137 Cb 0.44 -4.73 -0.14 0.00 -1.02 0.00 0.00 39.78 34.32 3gut n ASN 137 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 3gut s ASN 138 N -3.06 4.06 -0.42 6.41 2.47 0.98 -4.97 114.94 120.42 3gut s ASN 138 Ca 0.07 -2.02 -0.01 0.00 0.42 0.00 0.00 52.86 51.32 3gut s ASN 138 Cb -0.01 -1.05 0.20 0.00 -1.45 0.00 0.00 41.25 38.94 3gut s ASN 138 CO 0.77 -0.37 0.95 -3.20 -3.72 0.00 0.00 177.10 171.53 3gut n ASN 139 N 4.37 -2.32 0.29 -4.21 5.15 -1.26 -4.59 115.26 112.68 3gut n ASN 139 Ca 0.02 -1.80 0.18 0.00 -0.60 0.00 0.00 54.58 52.38 3gut n ASN 139 Cb 0.40 1.18 0.98 0.00 -0.53 0.00 0.00 39.78 41.81 3gut n ASN 139 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3gut h PRO 140 N 4.52 0.00 -0.18 1.20 0.13 -1.93 -1.90 132.00 133.85 3gut h PRO 140 Ca 0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.13 3gut h PRO 140 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 3gut h PRO 140 CO -0.06 0.00 -0.02 1.19 -0.23 0.00 0.00 178.00 178.88 3gut n PHE 141 N -3.45 0.63 -3.50 1.56 3.72 -1.26 -4.88 117.46 110.28 3gut n PHE 141 Ca -0.02 -1.00 -0.28 0.00 -0.05 0.00 0.00 57.45 56.11 3gut n PHE 141 Cb 0.19 -0.28 -0.05 0.00 -0.94 0.00 0.00 39.48 38.40 3gut n PHE 141 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3gut n HIS 142 N -0.88 -0.90 -1.72 1.38 8.25 -0.71 -4.82 115.22 115.82 3gut n HIS 142 Ca 0.21 0.44 -0.42 0.00 -0.26 0.00 0.00 57.72 57.69 3gut n HIS 142 Cb 0.82 -1.27 -0.03 0.00 1.12 0.00 0.00 29.99 30.63 3gut n HIS 142 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3gut s VAL 143 N -2.49 2.26 0.59 1.59 1.01 -1.26 -4.92 120.40 117.18 3gut s VAL 143 Ca 0.54 0.02 -0.19 0.00 0.00 0.00 0.00 61.98 62.35 3gut s VAL 143 Cb -0.31 -3.02 -0.06 0.00 0.00 0.00 0.00 36.38 33.00 3gut s VAL 143 CO 0.66 0.00 0.93 -2.65 0.00 0.00 0.00 175.10 174.04 3gut n PRO 144 N 4.81 0.90 0.03 2.72 -0.02 -1.26 -4.76 135.00 137.41 3gut n PRO 144 Ca 0.17 0.35 0.13 0.00 -2.02 0.00 0.00 63.50 62.12 3gut n PRO 144 Cb 0.37 -2.11 0.59 0.00 -0.02 0.00 0.00 33.50 32.32 3gut n PRO 144 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3gut h ILE 145 N 0.54 0.89 -0.04 4.25 6.09 -1.99 0.16 117.51 127.41 3gut h ILE 145 Ca -0.48 -0.07 -0.08 0.00 -1.37 0.00 0.00 64.86 62.86 3gut h ILE 145 Cb 1.37 0.68 0.00 0.00 0.47 0.00 0.00 36.82 39.34 3gut h ILE 145 CO 0.51 0.04 -0.30 -0.33 -3.07 0.00 0.00 178.15 174.99 3gut h GLU 146 N 0.19 0.27 0.00 2.19 5.08 -2.01 -3.24 114.58 117.07 3gut h GLU 146 Ca 0.19 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3gut h GLU 146 Cb 0.51 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3gut h GLU 146 CO -0.03 0.91 0.00 0.39 -1.00 0.00 0.00 179.01 179.28 3gut n GLU 147 N -4.46 0.73 0.13 2.33 4.71 -0.31 -3.25 120.64 120.52 3gut n GLU 147 Ca -0.09 0.01 0.12 0.00 -0.01 0.00 0.00 57.16 57.19 3gut n GLU 147 Cb 0.50 -1.50 0.21 0.00 -1.01 0.00 0.00 31.44 29.64 3gut n GLU 147 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 3gut h GLN 148 N 0.00 0.00 -6.94 3.49 4.20 -0.78 -3.46 115.11 111.62 3gut h GLN 148 Ca 0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 3gut h GLN 148 Cb 0.03 0.00 0.06 0.00 0.30 0.00 0.00 27.48 27.87 3gut h GLN 148 CO 0.00 0.00 0.54 1.03 -0.67 0.00 0.00 178.83 179.73 3gut s ARG 149 N -3.19 4.02 0.00 1.46 0.52 -1.20 -4.95 118.95 115.60 3gut s ARG 149 Ca 0.07 1.94 0.00 0.00 -0.52 0.00 0.00 55.73 57.22 3gut s ARG 149 Cb 0.10 -2.70 0.00 0.00 0.52 0.00 0.00 34.95 32.87 3gut s ARG 149 CO 0.68 -0.38 0.00 0.41 0.02 0.00 0.00 175.30 176.03 3gut n GLY 150 N 0.66 2.43 3.79 -3.53 0.00 -1.26 -5.11 105.19 102.17 3gut n GLY 150 Ca 0.04 -1.78 -0.36 0.00 0.00 0.00 0.00 46.02 43.93 3gut n GLY 150 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gut s ASP 151 N 0.00 7.20 -0.11 1.61 1.11 -1.26 -5.07 116.67 120.15 3gut s ASP 151 Ca 0.00 1.80 -0.00 0.00 0.18 0.00 0.00 52.55 54.53 3gut s ASP 151 Cb 0.00 -2.57 -0.02 0.00 1.07 0.00 0.00 42.92 41.40 3gut s ASP 151 CO 0.00 -0.17 -0.09 -0.31 1.18 0.00 0.00 175.17 175.78 3gut s TYR 152 N -1.78 2.89 -0.35 4.23 1.51 -1.26 -5.08 117.35 117.51 3gut s TYR 152 Ca 0.54 -0.27 -0.27 0.00 -1.01 0.00 0.00 57.07 56.06 3gut s TYR 152 Cb -0.16 -1.80 0.02 0.00 -0.11 0.00 0.00 41.96 39.90 3gut s TYR 152 CO 0.21 0.06 1.00 0.34 -1.11 0.00 0.00 175.55 176.05 3gut s ASP 153 N -0.16 6.79 0.00 2.29 2.15 -1.26 -4.92 116.67 121.55 3gut s ASP 153 Ca 0.01 0.79 0.23 0.00 0.43 0.00 0.00 52.55 54.01 3gut s ASP 153 Cb -0.13 -2.50 0.68 0.00 -0.30 0.00 0.00 42.92 40.67 3gut s ASP 153 CO 0.03 -0.88 1.52 0.18 -0.17 0.00 0.00 175.17 175.86 3gut n LEU 154 N 6.85 2.11 -1.07 -1.34 4.77 -1.26 -4.04 117.00 123.01 3gut n LEU 154 Ca 0.09 -0.85 0.06 0.00 -0.03 0.00 0.00 56.01 55.28 3gut n LEU 154 Cb 0.48 -0.11 0.27 0.00 -2.33 0.00 0.00 43.42 41.72 3gut n LEU 154 CO 0.59 0.43 0.74 0.59 -1.33 0.00 0.00 177.39 178.41 3gut n ASN 155 N 0.62 3.90 -3.53 -1.43 5.03 -1.26 -4.92 115.26 113.67 3gut n ASN 155 Ca 0.17 -3.13 -0.09 0.00 0.87 0.00 0.00 54.58 52.41 3gut n ASN 155 Cb 0.41 -0.58 -0.03 0.00 -1.02 0.00 0.00 39.78 38.56 3gut n ASN 155 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3gut s ALA 156 N -2.90 -1.87 0.26 5.41 0.00 -1.26 -1.55 121.76 119.86 3gut s ALA 156 Ca 0.44 1.19 -0.20 0.00 0.00 0.00 0.00 51.96 53.40 3gut s ALA 156 Cb 0.36 0.13 0.07 0.00 0.00 0.00 0.00 23.12 23.68 3gut s ALA 156 CO 0.09 -0.60 0.93 0.14 0.00 0.00 0.00 175.76 176.32 3gut s VAL 157 N -2.62 0.00 0.04 0.00 -7.23 -0.42 -4.62 120.40 105.54 3gut s VAL 157 Ca 0.04 -0.76 0.01 0.00 -1.81 0.00 0.00 61.98 59.45 3gut s VAL 157 Cb -0.01 -2.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.10 3gut s VAL 157 CO -0.06 0.00 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.55 3gut s ARG 158 N -2.34 0.50 -0.05 4.82 0.52 -1.17 0.15 118.95 121.37 3gut s ARG 158 Ca 0.18 -0.87 -0.13 0.00 -0.52 0.00 0.00 55.73 54.39 3gut s ARG 158 Cb -0.04 -0.04 -0.05 0.00 0.52 0.00 0.00 34.95 35.35 3gut s ARG 158 CO 0.07 -0.03 0.34 -0.51 0.02 0.00 0.00 175.30 175.20 3gut s LEU 159 N -1.99 4.41 -0.29 2.53 1.43 -1.26 -2.48 118.68 121.03 3gut s LEU 159 Ca -0.06 0.79 0.02 0.00 -1.03 0.00 0.00 54.13 53.85 3gut s LEU 159 Cb -0.05 -2.46 0.08 0.00 0.03 0.00 0.00 46.19 43.80 3gut s LEU 159 CO -0.03 0.29 -0.01 0.00 0.23 0.00 0.00 176.35 176.84 3gut s PHE 161 N 1.14 3.10 -0.47 0.00 0.40 -0.36 -1.49 117.98 120.30 3gut s PHE 161 Ca 0.02 0.80 -0.05 0.00 -0.60 0.00 0.00 56.93 57.10 3gut s PHE 161 Cb -0.19 -3.60 0.12 0.00 0.51 0.00 0.00 43.02 39.86 3gut s PHE 161 CO -0.09 -0.80 0.29 -0.65 0.70 0.00 0.00 175.22 174.68 3gut s GLN 162 N 3.43 2.25 0.04 0.44 -0.21 -0.59 -2.17 119.66 122.84 3gut s GLN 162 Ca 0.38 -1.94 -0.18 0.00 0.02 0.00 0.00 55.36 53.63 3gut s GLN 162 Cb -0.12 -3.71 -0.06 0.00 1.00 0.00 0.00 33.01 30.11 3gut s GLN 162 CO 0.18 -1.13 0.53 0.08 -2.12 0.00 0.00 175.29 172.84 3gut s VAL 163 N 0.97 4.84 -0.42 1.09 1.01 -1.26 -1.26 120.40 125.36 3gut s VAL 163 Ca 0.09 1.13 0.02 0.00 0.00 0.00 0.00 61.98 63.22 3gut s VAL 163 Cb -0.23 -3.86 0.13 0.00 0.00 0.00 0.00 36.38 32.42 3gut s VAL 163 CO -0.03 0.54 0.21 -0.89 0.00 0.00 0.00 175.10 174.92 3gut s THR 164 N -0.92 1.56 0.00 3.92 2.01 0.16 -1.65 115.64 120.72 3gut s THR 164 Ca 0.28 -2.48 0.00 0.00 0.31 0.00 0.00 61.69 59.80 3gut s THR 164 Cb -0.19 -2.11 0.00 0.00 0.01 0.00 0.00 72.50 70.22 3gut s THR 164 CO 0.17 -0.83 0.00 1.33 -0.69 0.00 0.00 174.62 174.60 3gut n VAL 165 N 3.72 0.00 -4.08 3.82 0.24 -0.11 -1.76 118.33 120.15 3gut n VAL 165 Ca 0.06 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.18 3gut n VAL 165 Cb 0.36 -0.71 -0.16 0.00 -1.47 0.00 0.00 33.84 31.86 3gut n VAL 165 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3gut s ARG 166 N 1.74 0.54 1.18 7.34 0.52 -1.26 0.12 118.95 129.13 3gut s ARG 166 Ca 0.00 -0.06 -0.13 0.00 -0.52 0.00 0.00 55.73 55.01 3gut s ARG 166 Cb 0.00 -0.59 0.29 0.00 0.52 0.00 0.00 34.95 35.17 3gut s ARG 166 CO 0.00 -0.05 1.02 0.16 0.02 0.00 0.00 175.30 176.46 3gut s ASP 167 N 0.66 0.86 0.40 0.23 1.47 -1.17 -4.83 116.67 114.29 3gut s ASP 167 Ca -0.08 1.40 0.13 0.00 1.18 0.00 0.00 52.55 55.19 3gut s ASP 167 Cb -0.11 -2.17 0.96 0.00 -0.34 0.00 0.00 42.92 41.26 3gut s ASP 167 CO -0.01 -4.26 1.89 1.55 0.68 0.00 0.00 175.17 175.03 3gut h PRO 168 N -2.66 0.51 0.04 2.11 0.13 -2.01 -2.58 132.00 127.53 3gut h PRO 168 Ca -0.61 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 64.51 3gut h PRO 168 Cb 1.34 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 3gut h PRO 168 CO 0.50 0.33 -0.21 0.00 -0.23 0.00 0.00 178.00 178.40 3gut h ALA 169 N 1.62 -0.31 0.00 -0.56 0.00 -2.03 -3.47 119.26 114.53 3gut h ALA 169 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3gut h ALA 169 Cb 0.83 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3gut h ALA 169 CO -0.16 -0.72 0.00 0.41 0.00 0.00 0.00 179.25 178.78 3gut n GLY 170 N -1.34 -0.53 3.75 0.00 0.00 -0.97 -5.14 105.19 100.96 3gut n GLY 170 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 3gut n GLY 170 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gut s ARG 171 N 0.00 4.18 0.19 1.61 6.06 -1.26 -4.88 118.95 124.85 3gut s ARG 171 Ca 0.00 0.20 -0.14 0.00 -2.50 0.00 0.00 55.73 53.29 3gut s ARG 171 Cb 0.00 -3.38 -0.10 0.00 0.06 0.00 0.00 34.95 31.53 3gut s ARG 171 CO 0.00 0.32 0.16 -2.30 -2.50 0.00 0.00 175.30 170.97 3gut n PRO 172 N 3.25 0.00 -3.69 5.12 -0.02 -1.26 -3.02 135.00 135.37 3gut n PRO 172 Ca -0.12 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.10 3gut n PRO 172 Cb 0.52 -0.60 -0.17 0.00 -0.02 0.00 0.00 33.50 33.24 3gut n PRO 172 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3gut s LEU 173 N 2.27 0.74 -0.29 2.45 2.96 0.33 -4.60 118.68 122.54 3gut s LEU 173 Ca 0.36 -0.60 -0.23 0.00 -0.22 0.00 0.00 54.13 53.45 3gut s LEU 173 Cb -0.45 -0.42 -0.00 0.00 0.50 0.00 0.00 46.19 45.82 3gut s LEU 173 CO 0.36 -0.30 0.76 -0.22 -1.32 0.00 0.00 176.35 175.62 3gut s LEU 174 N 1.99 4.09 0.00 -0.68 2.96 -1.26 -0.94 118.68 124.84 3gut s LEU 174 Ca 0.01 0.68 -0.10 0.00 -0.22 0.00 0.00 54.13 54.50 3gut s LEU 174 Cb -0.16 -3.03 0.13 0.00 0.50 0.00 0.00 46.19 43.63 3gut s LEU 174 CO -0.08 -0.56 0.74 0.18 -1.32 0.00 0.00 176.35 175.31 3gut n LEU 175 N 6.09 0.00 -4.73 -0.68 4.77 -0.66 -5.00 117.00 116.79 3gut n LEU 175 Ca 0.03 -0.81 -0.41 0.00 -0.03 0.00 0.00 56.01 54.79 3gut n LEU 175 Cb 0.48 -0.58 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 3gut n LEU 175 CO 0.49 -1.12 0.67 0.28 -1.33 0.00 0.00 177.39 176.37 3gut s THR 176 N -2.58 4.49 0.12 -5.08 -1.32 -1.26 -4.74 115.64 105.26 3gut s THR 176 Ca 0.43 2.06 -0.31 0.00 -1.21 0.00 0.00 61.69 62.66 3gut s THR 176 Cb -0.01 -4.32 -0.08 0.00 -1.51 0.00 0.00 72.50 66.57 3gut s THR 176 CO 0.30 0.31 1.43 -2.16 -2.21 0.00 0.00 174.62 172.30 3gut s PRO 177 N 0.00 4.30 0.15 7.08 0.04 -1.26 -4.72 135.00 140.59 3gut s PRO 177 Ca 0.47 2.14 0.09 0.00 0.04 0.00 0.00 61.00 63.74 3gut s PRO 177 Cb -0.23 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 3gut s PRO 177 CO 0.30 -0.48 -0.15 0.54 0.04 0.00 0.00 177.00 177.25 3gut s VAL 178 N 1.14 2.94 0.29 -0.36 0.11 -0.92 -4.94 120.40 118.66 3gut s VAL 178 Ca 0.66 -1.62 0.09 0.00 -2.93 0.00 0.00 61.98 58.18 3gut s VAL 178 Cb -0.38 -2.40 -0.04 0.00 -1.53 0.00 0.00 36.38 32.02 3gut s VAL 178 CO 0.30 -0.01 0.04 -0.76 -3.33 0.00 0.00 175.10 171.35 3gut s LEU 179 N -2.48 3.23 0.11 2.54 1.02 -1.26 -1.23 118.68 120.62 3gut s LEU 179 Ca 0.21 -0.67 0.08 0.00 0.02 0.00 0.00 54.13 53.77 3gut s LEU 179 Cb -0.10 -1.74 -0.04 0.00 0.02 0.00 0.00 46.19 44.34 3gut s LEU 179 CO 0.12 -0.08 -0.15 -0.94 0.02 0.00 0.00 176.35 175.33 3gut s SER 180 N -3.72 4.10 0.78 2.29 1.04 -0.86 -4.93 113.70 112.40 3gut s SER 180 Ca 0.33 -0.48 -0.15 0.00 0.48 0.00 0.00 55.95 56.13 3gut s SER 180 Cb -0.05 -0.67 0.02 0.00 0.10 0.00 0.00 66.02 65.42 3gut s SER 180 CO 0.21 0.18 0.84 0.00 0.98 0.00 0.00 173.24 175.45 3gut n HIS 181 N 0.77 0.14 -1.73 5.02 1.44 -1.26 -4.35 115.22 115.26 3gut n HIS 181 Ca -0.15 0.36 -0.42 0.00 -2.01 0.00 0.00 57.72 55.51 3gut n HIS 181 Cb 0.52 -2.00 -0.00 0.00 0.12 0.00 0.00 29.99 28.63 3gut n HIS 181 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 3gut n PRO 182 N -1.97 2.28 -3.74 -1.40 -0.04 -1.26 -4.70 135.00 124.17 3gut n PRO 182 Ca 0.11 0.80 -0.34 0.00 -0.04 0.00 0.00 63.50 64.03 3gut n PRO 182 Cb 0.50 -2.45 -0.05 0.00 -0.04 0.00 0.00 33.50 31.46 3gut n PRO 182 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3gut s ILE 183 N -1.12 5.27 -0.05 0.52 -1.09 0.39 -4.67 121.20 120.45 3gut s ILE 183 Ca 0.56 0.18 0.03 0.00 -2.23 0.00 0.00 60.65 59.19 3gut s ILE 183 Cb -0.53 -3.58 0.01 0.00 -1.58 0.00 0.00 42.46 36.78 3gut s ILE 183 CO 0.62 0.34 -0.12 -0.36 -1.23 0.00 0.00 174.94 174.19 3gut s PHE 184 N -1.33 1.35 0.15 3.97 0.08 0.49 -1.31 117.98 121.38 3gut s PHE 184 Ca 0.29 -0.44 -0.31 0.00 0.12 0.00 0.00 56.93 56.59 3gut s PHE 184 Cb -0.13 -0.97 -0.10 0.00 -0.57 0.00 0.00 43.02 41.25 3gut s PHE 184 CO 0.17 -0.21 1.57 0.34 -0.10 0.00 0.00 175.22 177.00 3gut s ASP 185 N 0.43 6.60 -0.24 1.36 2.15 -0.60 -4.24 116.67 122.13 3gut s ASP 185 Ca -0.09 2.58 -0.05 0.00 0.43 0.00 0.00 52.55 55.41 3gut s ASP 185 Cb -0.13 -2.59 -0.18 0.00 -0.30 0.00 0.00 42.92 39.72 3gut s ASP 185 CO 0.02 -0.83 2.82 -3.20 -0.17 0.00 0.00 175.17 173.82 3gut n ASN 186 N 4.24 4.53 0.00 -0.34 5.15 -0.96 -1.45 115.26 126.43 3gut n ASN 186 Ca 0.14 -2.29 0.00 0.00 -0.60 0.00 0.00 54.58 51.83 3gut n ASN 186 Cb 0.39 -1.13 0.00 0.00 -0.53 0.00 0.00 39.78 38.51 3gut n ASN 186 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 3gut n ARG 187 N 2.87 0.00 -3.57 1.20 0.63 -1.26 -4.81 116.66 111.71 3gut n ARG 187 Ca 0.38 -0.05 -0.40 0.00 -0.92 0.00 0.00 57.85 56.86 3gut n ARG 187 Cb 0.60 -0.40 -0.07 0.00 0.45 0.00 0.00 32.46 33.05 3gut n ARG 187 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3gut s ALA 188 N 0.00 3.77 0.04 5.13 0.00 -0.53 -4.94 121.76 125.23 3gut s ALA 188 Ca 0.00 -3.29 0.17 0.00 0.00 0.00 0.00 51.96 48.84 3gut s ALA 188 Cb 0.00 -2.98 0.94 0.00 0.00 0.00 0.00 23.12 21.08 3gut s ALA 188 CO 0.00 -2.17 1.46 -1.35 0.00 0.00 0.00 175.76 173.70 3gut h PRO 189 N 7.30 0.00 0.00 0.00 0.11 -1.93 -0.47 132.00 137.01 3gut h PRO 189 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3gut h PRO 189 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3gut h PRO 189 CO 0.73 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.79 3gut n ASN 190 N -2.20 0.00 0.00 -2.05 0.23 -1.26 -3.51 115.26 106.47 3gut n ASN 190 Ca -0.01 -0.20 0.00 0.00 -0.53 0.00 0.00 54.58 53.84 3gut n ASN 190 Cb 0.25 -0.19 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 3gut n ASN 190 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3gut n THR 191 N -1.19 0.00 -1.27 5.53 -2.24 -0.20 -5.09 114.28 109.82 3gut n THR 191 Ca 0.11 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.59 3gut n THR 191 Cb 0.13 1.38 0.22 0.00 -2.10 0.00 0.00 70.33 69.95 3gut n THR 191 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gut s ALA 192 N 0.00 1.00 -0.15 6.98 0.00 -1.16 -4.98 121.76 123.45 3gut s ALA 192 Ca 0.00 -0.94 -0.20 0.00 0.00 0.00 0.00 51.96 50.81 3gut s ALA 192 Cb 0.00 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.20 3gut s ALA 192 CO 0.00 -3.26 0.59 -2.00 0.00 0.00 0.00 175.76 171.08 3gut s GLU 193 N -5.47 4.29 0.43 0.00 2.12 -1.26 -5.04 118.70 113.78 3gut s GLU 193 Ca 0.71 0.60 -0.25 0.00 0.36 0.00 0.00 54.97 56.38 3gut s GLU 193 Cb -0.09 -3.51 -0.08 0.00 0.26 0.00 0.00 34.13 30.71 3gut s GLU 193 CO 0.55 -0.05 1.30 -0.51 -0.54 0.00 0.00 175.26 176.02 3gut s LEU 194 N 1.26 4.15 -0.27 2.70 1.02 -1.26 -4.94 118.68 121.34 3gut s LEU 194 Ca 0.29 2.64 -0.24 0.00 0.02 0.00 0.00 54.13 56.84 3gut s LEU 194 Cb -0.16 -3.98 0.07 0.00 0.02 0.00 0.00 46.19 42.14 3gut s LEU 194 CO 0.12 -0.95 0.71 -0.75 0.02 0.00 0.00 176.35 175.50 3gut s LYS 195 N -2.38 0.82 -0.16 1.70 2.20 -1.26 -4.56 119.74 116.10 3gut s LYS 195 Ca 0.59 1.01 -0.06 0.00 -0.36 0.00 0.00 55.97 57.16 3gut s LYS 195 Cb -0.37 0.39 -0.04 0.00 -1.51 0.00 0.00 37.83 36.30 3gut s LYS 195 CO 0.48 -0.10 0.03 0.42 -0.36 0.00 0.00 175.35 175.81 3gut s ILE 196 N 0.48 4.50 -0.24 5.43 1.01 -1.26 -2.74 121.20 128.38 3gut s ILE 196 Ca -0.01 -0.14 -0.05 0.00 0.00 0.00 0.00 60.65 60.45 3gut s ILE 196 Cb -0.05 -3.00 -0.13 0.00 0.01 0.00 0.00 42.46 39.30 3gut s ILE 196 CO -0.01 0.49 -0.26 0.00 0.00 0.00 0.00 174.94 175.17 3gut s ARG 198 N -2.45 1.80 -0.30 0.00 0.52 -1.14 -4.99 118.95 112.40 3gut s ARG 198 Ca -0.32 -2.06 -0.11 0.00 -0.52 0.00 0.00 55.73 52.71 3gut s ARG 198 Cb 0.10 0.11 0.18 0.00 0.52 0.00 0.00 34.95 35.87 3gut s ARG 198 CO 0.48 -0.62 1.02 0.08 0.02 0.00 0.00 175.30 176.28 3gut s VAL 199 N -3.39 -0.34 -1.54 3.52 1.01 -1.26 -3.18 120.40 115.22 3gut s VAL 199 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.34 3gut s VAL 199 Cb 0.02 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.73 3gut s VAL 199 CO 0.25 0.00 0.24 -0.46 0.00 0.00 0.00 175.10 175.13 3gut n ASN 200 N 5.31 0.14 -3.23 3.32 6.94 -1.02 -4.55 115.26 122.18 3gut n ASN 200 Ca 0.01 -0.63 0.04 0.00 -0.02 0.00 0.00 54.58 53.98 3gut n ASN 200 Cb 0.55 -0.07 -0.04 0.00 -2.36 0.00 0.00 39.78 37.86 3gut n ASN 200 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3gut s ARG 201 N -1.54 0.00 -0.18 -3.83 3.52 -1.26 -4.93 118.95 110.73 3gut s ARG 201 Ca 0.00 0.01 0.14 0.00 -0.13 0.00 0.00 55.73 55.75 3gut s ARG 201 Cb 0.00 0.01 0.42 0.00 -1.56 0.00 0.00 34.95 33.82 3gut s ARG 201 CO 0.00 -0.00 1.21 0.27 -0.81 0.00 0.00 175.30 175.97 3gut n ASN 202 N 4.28 1.65 -3.42 -2.12 2.04 -1.26 -4.95 115.26 111.48 3gut n ASN 202 Ca -0.08 -3.58 0.01 0.00 -0.44 0.00 0.00 54.58 50.50 3gut n ASN 202 Cb 0.56 -0.49 -0.03 0.00 -2.53 0.00 0.00 39.78 37.29 3gut n ASN 202 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 3gut s SER 203 N -3.04 -0.96 0.00 0.53 0.15 -1.26 -0.80 113.70 108.31 3gut s SER 203 Ca 0.38 1.07 0.00 0.00 0.70 0.00 0.00 55.95 58.09 3gut s SER 203 Cb 0.37 2.00 0.00 0.00 -1.71 0.00 0.00 66.02 66.68 3gut s SER 203 CO -0.08 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.78 3gut n GLY 204 N 5.31 5.94 3.84 9.45 0.00 -1.09 -4.96 105.19 123.68 3gut n GLY 204 Ca -0.08 -1.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 3gut n GLY 204 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gut s SER 205 N 1.00 6.83 0.08 1.61 0.15 -1.26 -0.76 113.70 121.34 3gut s SER 205 Ca 0.00 1.33 0.21 0.00 0.70 0.00 0.00 55.95 58.19 3gut s SER 205 Cb 0.00 -2.39 0.87 0.00 -1.71 0.00 0.00 66.02 62.79 3gut s SER 205 CO 0.00 -0.18 1.67 0.00 1.20 0.00 0.00 173.24 175.93 3gut n LEU 207 N -1.74 0.23 0.00 0.00 4.77 -1.26 -1.21 117.00 117.79 3gut n LEU 207 Ca 0.04 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 3gut n LEU 207 Cb 0.25 -0.41 -0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3gut n LEU 207 CO 0.20 0.00 -0.00 0.61 -1.33 0.00 0.00 177.39 176.87 3gut n GLY 208 N 1.47 -1.62 0.94 -0.72 0.00 -0.69 -4.21 105.19 100.36 3gut n GLY 208 Ca 0.06 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.84 3gut n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gut n GLY 209 N -0.07 0.71 3.73 -0.02 0.00 0.85 -4.83 105.19 105.57 3gut n GLY 209 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3gut n GLY 209 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gut s ASP 210 N -2.73 7.17 0.02 1.61 1.01 -1.26 -4.64 116.67 117.84 3gut s ASP 210 Ca 0.00 2.13 -0.30 0.00 0.71 0.00 0.00 52.55 55.09 3gut s ASP 210 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 3gut s ASP 210 CO 0.00 -0.32 1.05 -0.70 0.21 0.00 0.00 175.17 175.41 3gut s GLU 211 N -0.08 4.52 -0.09 8.23 2.12 -1.26 -1.35 118.70 130.79 3gut s GLU 211 Ca 0.52 1.53 0.00 0.00 0.36 0.00 0.00 54.97 57.38 3gut s GLU 211 Cb -0.31 -3.43 0.02 0.00 0.26 0.00 0.00 34.13 30.68 3gut s GLU 211 CO 0.35 -0.12 -0.08 0.42 -0.54 0.00 0.00 175.26 175.29 3gut s ILE 212 N 1.04 0.95 -0.35 -3.70 -1.09 0.47 -4.98 121.20 113.55 3gut s ILE 212 Ca 0.54 -0.29 -0.19 0.00 -2.23 0.00 0.00 60.65 58.48 3gut s ILE 212 Cb -0.24 -0.95 -0.00 0.00 -1.58 0.00 0.00 42.46 39.69 3gut s ILE 212 CO 0.28 0.34 0.56 -0.36 -1.23 0.00 0.00 174.94 174.54 3gut s PHE 213 N 1.38 3.17 -0.13 3.97 0.40 -1.26 -2.40 117.98 123.11 3gut s PHE 213 Ca -0.02 0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.58 3gut s PHE 213 Cb -0.14 -3.01 0.01 0.00 0.51 0.00 0.00 43.02 40.40 3gut s PHE 213 CO -0.04 -0.58 -0.19 -1.17 0.70 0.00 0.00 175.22 173.94 3gut s LEU 214 N 2.52 1.96 0.03 -0.37 0.20 0.10 -2.42 118.68 120.70 3gut s LEU 214 Ca 0.21 -0.54 -0.03 0.00 0.69 0.00 0.00 54.13 54.46 3gut s LEU 214 Cb -0.15 -1.31 -0.04 0.00 -0.43 0.00 0.00 46.19 44.25 3gut s LEU 214 CO 0.14 0.05 0.23 -0.76 -0.29 0.00 0.00 176.35 175.72 3gut s LEU 215 N 0.90 4.36 0.00 -0.68 1.43 -1.19 0.56 118.68 124.05 3gut s LEU 215 Ca -0.06 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 3gut s LEU 215 Cb -0.15 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.26 3gut s LEU 215 CO -0.02 0.21 0.00 0.00 0.23 0.00 0.00 176.35 176.77 3gut s ASP 217 N 1.59 6.04 -0.32 0.00 1.11 -1.11 -4.75 116.67 119.23 3gut s ASP 217 Ca 0.00 -0.04 -0.42 0.00 0.18 0.00 0.00 52.55 52.27 3gut s ASP 217 Cb 0.00 -1.70 -0.17 0.00 1.07 0.00 0.00 42.92 42.13 3gut s ASP 217 CO 0.00 -0.06 1.70 0.29 1.18 0.00 0.00 175.17 178.29 3gut n LYS 218 N -1.31 0.90 -4.53 8.23 5.02 -1.22 -4.65 118.16 120.60 3gut n LYS 218 Ca -0.09 0.33 -0.25 0.00 -2.02 0.00 0.00 58.31 56.28 3gut n LYS 218 Cb 0.57 -1.97 -0.09 0.00 -0.02 0.00 0.00 35.03 33.52 3gut n LYS 218 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3gut s VAL 219 N 3.37 0.93 -0.23 -0.18 -7.23 -0.85 -4.96 120.40 111.25 3gut s VAL 219 Ca 1.00 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 59.12 3gut s VAL 219 Cb -1.16 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 33.26 3gut s VAL 219 CO 0.69 0.00 -0.03 -1.10 -0.31 0.00 0.00 175.10 174.35 3gut s GLN 220 N -3.80 3.38 0.52 4.82 -1.52 -1.26 -4.64 119.66 117.15 3gut s GLN 220 Ca 0.26 -0.63 0.25 0.00 -1.95 0.00 0.00 55.36 53.30 3gut s GLN 220 Cb 0.05 -3.05 1.37 0.00 -0.22 0.00 0.00 33.01 31.16 3gut s GLN 220 CO 0.13 -0.21 1.97 1.57 -0.25 0.00 0.00 175.29 178.50 3gut h LYS 221 N 8.13 0.05 0.00 2.91 2.10 -1.92 -0.95 116.57 126.88 3gut h LYS 221 Ca -0.41 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 3gut h LYS 221 Cb 1.16 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 3gut h LYS 221 CO 0.60 0.03 -0.23 0.39 -2.00 0.00 0.00 179.45 178.24 3gut n GLU 222 N -4.37 0.11 -3.06 0.07 4.71 -1.26 -4.23 120.64 112.60 3gut n GLU 222 Ca 0.12 0.06 -0.23 0.00 -0.01 0.00 0.00 57.16 57.10 3gut n GLU 222 Cb 0.67 -1.60 -0.04 0.00 -1.01 0.00 0.00 31.44 29.46 3gut n GLU 222 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3gut n ASP 223 N -1.76 2.74 -3.57 1.62 2.03 -0.36 -5.02 116.55 112.23 3gut n ASP 223 Ca 0.06 -3.36 -0.16 0.00 0.52 0.00 0.00 54.79 51.85 3gut n ASP 223 Cb 0.37 -0.59 -0.06 0.00 -0.72 0.00 0.00 41.12 40.12 3gut n ASP 223 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3gut s ILE 224 N -3.48 0.00 -0.07 5.18 1.10 -1.23 -4.35 121.20 118.35 3gut s ILE 224 Ca 0.45 0.00 -0.30 0.00 -0.51 0.00 0.00 60.65 60.29 3gut s ILE 224 Cb 0.31 -1.00 0.09 0.00 0.15 0.00 0.00 42.46 42.02 3gut s ILE 224 CO -0.11 0.00 0.81 -1.83 -2.11 0.00 0.00 174.94 171.70 3gut s GLU 225 N -0.60 0.88 -0.38 3.50 -1.05 -0.37 -4.97 118.70 115.71 3gut s GLU 225 Ca -0.06 0.10 -0.23 0.00 -0.15 0.00 0.00 54.97 54.62 3gut s GLU 225 Cb -0.02 0.41 0.01 0.00 -0.44 0.00 0.00 34.13 34.10 3gut s GLU 225 CO 0.06 -0.30 0.80 0.08 0.95 0.00 0.00 175.26 176.84 3gut s VAL 226 N -1.59 4.70 -0.44 1.83 1.01 -1.26 0.95 120.40 125.60 3gut s VAL 226 Ca -0.05 0.81 -0.15 0.00 0.00 0.00 0.00 61.98 62.59 3gut s VAL 226 Cb -0.00 -4.25 0.05 0.00 0.00 0.00 0.00 36.38 32.18 3gut s VAL 226 CO 0.03 -0.51 0.34 -0.47 0.00 0.00 0.00 175.10 174.49 3gut s TYR 227 N 3.18 3.25 -0.62 5.22 5.04 0.25 -2.10 117.35 131.57 3gut s TYR 227 Ca 0.32 -0.85 -0.22 0.00 -2.44 0.00 0.00 57.07 53.88 3gut s TYR 227 Cb -0.13 -2.89 0.07 0.00 0.35 0.00 0.00 41.96 39.36 3gut s TYR 227 CO 0.18 -0.71 0.91 -0.06 -1.34 0.00 0.00 175.55 174.54 3gut s PHE 228 N 1.63 2.75 0.10 4.97 0.40 0.13 -0.77 117.98 127.19 3gut s PHE 228 Ca 0.04 -0.47 0.01 0.00 -0.60 0.00 0.00 56.93 55.91 3gut s PHE 228 Cb -0.22 -4.17 -0.04 0.00 0.51 0.00 0.00 43.02 39.10 3gut s PHE 228 CO 0.08 -1.52 0.23 -0.08 0.70 0.00 0.00 175.22 174.63 3gut s THR 229 N 3.83 5.31 0.35 0.64 -1.32 0.58 -0.91 115.64 124.12 3gut s THR 229 Ca 0.22 -0.54 -0.00 0.00 -1.21 0.00 0.00 61.69 60.16 3gut s THR 229 Cb -0.17 -3.65 -0.00 0.00 -1.51 0.00 0.00 72.50 67.17 3gut s THR 229 CO 0.12 0.04 0.46 -0.83 -2.21 0.00 0.00 174.62 172.19 3gut s GLY 230 N -2.81 1.68 -0.69 6.08 0.00 -0.90 -0.70 107.32 109.98 3gut s GLY 230 Ca 0.35 -1.64 -0.26 0.00 0.00 0.00 0.00 44.72 43.16 3gut s GLY 230 CO 0.28 -1.08 1.65 2.56 0.00 0.00 0.00 173.10 176.51 3gut s PRO 231 N -3.02 2.85 0.00 2.90 0.04 -1.26 -2.57 135.00 133.94 3gut s PRO 231 Ca 0.32 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.56 3gut s PRO 231 Cb -0.00 -4.40 0.00 0.00 0.04 0.00 0.00 34.50 30.14 3gut s PRO 231 CO 0.22 -2.56 0.00 0.41 0.04 0.00 0.00 177.00 175.12 3gut n GLY 232 N 5.71 1.41 3.78 0.56 0.00 -1.26 -5.01 105.19 110.38 3gut n GLY 232 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 3gut n GLY 232 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3gut s TRP 233 N -3.39 2.83 -0.30 1.61 -0.00 -1.06 -5.13 118.94 113.50 3gut s TRP 233 Ca 0.00 -0.30 -0.17 0.00 -0.00 0.00 0.00 56.10 55.63 3gut s TRP 233 Cb 0.00 -1.62 0.18 0.00 -0.00 0.00 0.00 33.47 32.03 3gut s TRP 233 CO 0.00 0.34 1.16 -2.00 -0.00 0.00 0.00 176.95 176.45 3gut s GLU 234 N -3.88 0.13 0.28 5.86 2.12 -1.26 -2.11 118.70 119.84 3gut s GLU 234 Ca 0.38 0.30 0.03 0.00 0.36 0.00 0.00 54.97 56.03 3gut s GLU 234 Cb -0.05 0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.48 3gut s GLU 234 CO 0.24 -0.07 0.20 0.00 -0.54 0.00 0.00 175.26 175.08 3gut s ALA 235 N 2.44 1.68 0.09 6.30 0.00 -0.09 -5.00 121.76 127.18 3gut s ALA 235 Ca -0.02 -1.86 0.04 0.00 0.00 0.00 0.00 51.96 50.12 3gut s ALA 235 Cb -0.05 1.35 -0.03 0.00 0.00 0.00 0.00 23.12 24.39 3gut s ALA 235 CO -0.14 -0.59 -0.10 1.03 0.00 0.00 0.00 175.76 175.95 3gut s ARG 236 N -3.78 0.82 0.38 0.00 0.52 -1.26 0.19 118.95 115.83 3gut s ARG 236 Ca 0.39 -1.11 -0.10 0.00 -0.52 0.00 0.00 55.73 54.39 3gut s ARG 236 Cb 0.05 -0.55 -0.06 0.00 0.52 0.00 0.00 34.95 34.90 3gut s ARG 236 CO 0.20 0.09 0.74 0.20 0.02 0.00 0.00 175.30 176.55 3gut s GLY 237 N -2.31 1.97 -0.33 -3.53 0.00 -0.89 -3.91 107.32 98.33 3gut s GLY 237 Ca 0.04 -0.22 -0.16 0.00 0.00 0.00 0.00 44.72 44.38 3gut s GLY 237 CO 0.00 -0.04 0.39 -0.56 0.00 0.00 0.00 173.10 172.89 3gut s SER 238 N -3.08 6.21 -0.23 1.64 0.01 0.20 -4.78 113.70 113.68 3gut s SER 238 Ca 0.51 -0.10 -0.26 0.00 1.31 0.00 0.00 55.95 57.41 3gut s SER 238 Cb -0.10 -2.21 0.07 0.00 0.21 0.00 0.00 66.02 63.99 3gut s SER 238 CO 0.30 -0.33 0.72 0.72 0.41 0.00 0.00 173.24 175.06 3gut s PHE 239 N 2.08 -0.76 0.41 2.43 -0.71 -1.26 -0.71 117.98 119.46 3gut s PHE 239 Ca 0.13 1.78 -0.11 0.00 -1.04 0.00 0.00 56.93 57.70 3gut s PHE 239 Cb -0.16 0.30 -0.06 0.00 -1.21 0.00 0.00 43.02 41.88 3gut s PHE 239 CO 0.12 -0.42 0.77 -1.12 -1.34 0.00 0.00 175.22 173.23 3gut s SER 240 N 0.11 6.52 0.47 1.98 0.01 -1.26 -4.94 113.70 116.59 3gut s SER 240 Ca -0.02 1.14 0.23 0.00 1.31 0.00 0.00 55.95 58.61 3gut s SER 240 Cb -0.04 -2.33 1.25 0.00 0.21 0.00 0.00 66.02 65.11 3gut s SER 240 CO 0.02 -0.40 1.66 1.56 0.41 0.00 0.00 173.24 176.49 3gut h GLN 241 N 1.25 0.00 -0.30 12.44 4.20 -1.99 0.58 115.11 131.29 3gut h GLN 241 Ca -0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.24 3gut h GLN 241 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 3gut h GLN 241 CO 0.64 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.80 3gut n ALA 242 N -1.75 2.47 1.07 3.87 0.00 -1.26 -3.40 120.51 121.50 3gut n ALA 242 Ca -0.02 -0.75 0.12 0.00 0.00 0.00 0.00 53.44 52.79 3gut n ALA 242 Cb 0.27 -0.99 0.15 0.00 0.00 0.00 0.00 19.45 18.89 3gut n ALA 242 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gut n ASP 243 N 0.87 2.65 -4.50 0.00 8.00 0.20 -4.66 116.55 119.11 3gut n ASP 243 Ca 0.17 -1.85 -0.43 0.00 0.71 0.00 0.00 54.79 53.39 3gut n ASP 243 Cb 0.45 0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.59 3gut n ASP 243 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gut s VAL 244 N -2.07 4.51 -0.46 2.53 1.01 -1.22 -2.32 120.40 122.37 3gut s VAL 244 Ca 0.28 -1.67 -0.27 0.00 0.00 0.00 0.00 61.98 60.32 3gut s VAL 244 Cb 0.20 -4.94 -0.03 0.00 0.00 0.00 0.00 36.38 31.61 3gut s VAL 244 CO 0.34 -1.72 1.97 -2.28 0.00 0.00 0.00 175.10 173.41 3gut s HIS 245 N 3.22 1.57 -1.72 5.22 2.46 0.23 -3.97 115.29 122.30 3gut s HIS 245 Ca 0.41 0.86 -0.17 0.00 0.47 0.00 0.00 55.06 56.64 3gut s HIS 245 Cb -0.02 -4.00 0.15 0.00 -0.13 0.00 0.00 32.58 28.59 3gut s HIS 245 CO -0.05 -2.69 0.62 -2.13 -2.47 0.00 0.00 174.74 168.02 3gut n ARG 246 N 8.86 -2.23 -1.24 2.88 3.00 -1.26 -2.09 116.66 124.58 3gut n ARG 246 Ca 0.25 0.28 -0.10 0.00 -0.00 0.00 0.00 57.85 58.28 3gut n ARG 246 Cb 0.50 -4.78 -0.04 0.00 0.00 0.00 0.00 32.46 28.14 3gut n ARG 246 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 3gut n GLN 247 N -4.31 -1.69 0.00 -0.14 6.02 -1.25 -4.74 117.38 111.26 3gut n GLN 247 Ca 0.01 0.80 0.00 0.00 -0.01 0.00 0.00 57.00 57.80 3gut n GLN 247 Cb 0.52 -5.13 0.00 0.00 1.02 0.00 0.00 30.24 26.65 3gut n GLN 247 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3gut n VAL 248 N -2.04 0.10 -3.64 5.09 0.24 -0.89 -2.00 118.33 115.20 3gut n VAL 248 Ca -0.10 -0.11 -0.05 0.00 -2.04 0.00 0.00 64.34 62.04 3gut n VAL 248 Cb 0.54 1.03 -0.06 0.00 -1.47 0.00 0.00 33.84 33.88 3gut n VAL 248 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gut s ALA 249 N -0.10 -1.95 -0.07 2.33 0.00 -1.12 -1.27 121.76 119.58 3gut s ALA 249 Ca 0.00 2.39 0.05 0.00 0.00 0.00 0.00 51.96 54.41 3gut s ALA 249 Cb 0.00 -1.53 -0.01 0.00 0.00 0.00 0.00 23.12 21.59 3gut s ALA 249 CO 0.00 -0.50 -0.25 0.42 0.00 0.00 0.00 175.76 175.44 3gut s ILE 250 N 1.89 2.06 -0.13 0.00 1.01 0.19 0.78 121.20 127.00 3gut s ILE 250 Ca -0.09 -1.05 0.01 0.00 0.00 0.00 0.00 60.65 59.52 3gut s ILE 250 Cb -0.06 -1.76 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 3gut s ILE 250 CO -0.19 0.57 -0.16 -0.69 0.00 0.00 0.00 174.94 174.46 3gut s VAL 251 N 0.03 2.69 0.20 2.92 1.01 -0.98 -0.72 120.40 125.54 3gut s VAL 251 Ca -0.10 -0.78 -0.17 0.00 0.00 0.00 0.00 61.98 60.94 3gut s VAL 251 Cb -0.15 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.14 3gut s VAL 251 CO 0.06 0.53 0.50 0.72 0.00 0.00 0.00 175.10 176.91 3gut s PHE 252 N 0.55 -0.06 -0.13 5.22 -0.71 -1.01 -4.72 117.98 117.12 3gut s PHE 252 Ca -0.10 -0.29 -0.03 0.00 -1.04 0.00 0.00 56.93 55.47 3gut s PHE 252 Cb -0.16 0.35 -0.03 0.00 -1.21 0.00 0.00 43.02 41.97 3gut s PHE 252 CO 0.04 -0.91 -0.02 1.03 -1.34 0.00 0.00 175.22 174.02 3gut s ARG 253 N -3.89 3.40 0.49 1.99 0.52 0.12 -0.39 118.95 121.19 3gut s ARG 253 Ca 0.10 -0.47 -0.23 0.00 -0.52 0.00 0.00 55.73 54.61 3gut s ARG 253 Cb -0.01 -2.87 -0.07 0.00 0.52 0.00 0.00 34.95 32.52 3gut s ARG 253 CO -0.02 0.43 1.27 0.25 0.02 0.00 0.00 175.30 177.25 3gut n THR 254 N 2.99 3.17 -2.76 0.02 -2.24 -0.46 0.61 114.28 115.61 3gut n THR 254 Ca -0.18 -0.50 -0.30 0.00 -2.27 0.00 0.00 64.05 60.80 3gut n THR 254 Cb 0.53 -1.56 -0.03 0.00 -2.10 0.00 0.00 70.33 67.17 3gut n THR 254 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3gut s PRO 255 N -2.53 3.75 0.23 -0.78 0.04 -1.25 -0.10 135.00 134.35 3gut s PRO 255 Ca 0.67 0.48 -0.30 0.00 0.04 0.00 0.00 61.00 61.89 3gut s PRO 255 Cb -0.46 -2.36 -0.09 0.00 0.04 0.00 0.00 34.50 31.63 3gut s PRO 255 CO 0.53 -0.09 1.17 -2.14 0.04 0.00 0.00 177.00 176.51 3gut s PRO 256 N -4.03 4.53 0.97 0.56 0.02 -1.26 -4.34 135.00 131.46 3gut s PRO 256 Ca 0.51 1.88 -0.12 0.00 0.02 0.00 0.00 61.00 63.29 3gut s PRO 256 Cb -0.10 -3.21 0.17 0.00 0.02 0.00 0.00 34.50 31.38 3gut s PRO 256 CO 0.34 0.00 1.08 -0.47 -0.33 0.00 0.00 177.00 177.63 3gut s TYR 257 N -0.51 2.00 0.11 6.54 5.04 -0.35 -4.94 117.35 125.23 3gut s TYR 257 Ca 0.50 1.25 -0.23 0.00 -2.44 0.00 0.00 57.07 56.14 3gut s TYR 257 Cb -0.33 -3.18 -0.10 0.00 0.35 0.00 0.00 41.96 38.70 3gut s TYR 257 CO 0.39 -2.84 1.71 0.00 -1.34 0.00 0.00 175.55 173.47 3gut h ALA 258 N -1.88 -0.06 -1.87 3.97 0.00 -1.95 -3.38 119.26 114.10 3gut h ALA 258 Ca -0.52 0.01 -0.69 0.00 0.00 0.00 0.00 54.91 53.71 3gut h ALA 258 Cb 1.30 0.14 -0.19 0.00 0.00 0.00 0.00 17.79 19.04 3gut h ALA 258 CO 0.53 -0.56 0.18 0.34 0.00 0.00 0.00 179.25 179.74 3gut s ASP 259 N -5.09 6.18 0.00 0.00 -1.08 -1.26 -4.94 116.67 110.48 3gut s ASP 259 Ca -0.14 -1.34 0.18 0.00 -0.52 0.00 0.00 52.55 50.74 3gut s ASP 259 Cb 0.08 -2.32 0.92 0.00 -1.46 0.00 0.00 42.92 40.13 3gut s ASP 259 CO 0.67 -1.16 1.55 -0.81 0.52 0.00 0.00 175.17 175.94 3gut n PRO 260 N 6.56 0.25 -0.04 4.34 -0.04 -1.26 -3.11 135.00 141.69 3gut n PRO 260 Ca -0.08 0.12 0.03 0.00 -0.04 0.00 0.00 63.50 63.52 3gut n PRO 260 Cb 0.43 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.44 3gut n PRO 260 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3gut n SER 261 N -1.29 1.95 0.00 3.54 7.64 -1.26 -4.83 113.62 119.37 3gut n SER 261 Ca 0.08 -1.59 0.00 0.00 1.01 0.00 0.00 58.87 58.37 3gut n SER 261 Cb 0.15 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 3gut n SER 261 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3gut n LEU 262 N 0.18 0.00 -0.06 -3.43 7.94 -1.18 -4.90 117.00 115.55 3gut n LEU 262 Ca 0.05 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.86 3gut n LEU 262 Cb 0.24 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.12 3gut n LEU 262 CO 0.04 0.00 -0.92 1.67 -1.11 0.00 0.00 177.39 177.07 3gut n GLN 263 N 0.00 0.78 -5.29 1.96 -0.06 -1.26 -4.44 117.38 109.08 3gut n GLN 263 Ca 0.00 0.06 -0.31 0.00 -2.00 0.00 0.00 57.00 54.75 3gut n GLN 263 Cb 0.00 -1.27 -0.16 0.00 -4.06 0.00 0.00 30.24 24.75 3gut n GLN 263 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3gut s ALA 264 N -2.27 2.17 0.37 1.69 0.00 -1.26 -4.78 121.76 117.69 3gut s ALA 264 Ca -0.15 -1.12 -0.26 0.00 0.00 0.00 0.00 51.96 50.42 3gut s ALA 264 Cb 0.04 -0.56 -0.12 0.00 0.00 0.00 0.00 23.12 22.49 3gut s ALA 264 CO 0.34 0.53 1.14 -2.30 0.00 0.00 0.00 175.76 175.47 3gut n PRO 265 N 2.42 1.69 -4.00 0.00 -0.02 -1.26 -4.81 135.00 129.02 3gut n PRO 265 Ca -0.16 0.60 -0.27 0.00 -2.02 0.00 0.00 63.50 61.65 3gut n PRO 265 Cb 0.51 -2.15 -0.17 0.00 -0.02 0.00 0.00 33.50 31.68 3gut n PRO 265 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gut s VAL 266 N -1.16 1.05 0.25 -1.45 0.11 -0.71 -4.99 120.40 113.50 3gut s VAL 266 Ca 0.59 -0.32 -0.30 0.00 -2.93 0.00 0.00 61.98 59.03 3gut s VAL 266 Cb -0.58 -1.05 -0.09 0.00 -1.53 0.00 0.00 36.38 33.12 3gut s VAL 266 CO 0.59 0.37 1.31 -0.13 -3.33 0.00 0.00 175.10 173.91 3gut s ARG 267 N 1.56 4.38 0.09 1.54 1.81 -1.26 -1.81 118.95 125.26 3gut s ARG 267 Ca 0.02 2.12 0.03 0.00 -1.72 0.00 0.00 55.73 56.18 3gut s ARG 267 Cb -0.13 -3.14 -0.04 0.00 -0.45 0.00 0.00 34.95 31.19 3gut s ARG 267 CO -0.07 -0.22 -0.08 0.08 -0.68 0.00 0.00 175.30 174.33 3gut s VAL 268 N -0.39 0.75 -0.19 3.52 1.01 0.22 -4.94 120.40 120.38 3gut s VAL 268 Ca 0.54 -1.66 -0.17 0.00 0.00 0.00 0.00 61.98 60.69 3gut s VAL 268 Cb -0.38 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3gut s VAL 268 CO 0.44 -0.67 0.45 -0.55 0.00 0.00 0.00 175.10 174.77 3gut s SER 269 N -2.54 6.52 -0.05 3.32 0.15 0.12 -1.54 113.70 119.67 3gut s SER 269 Ca 0.05 0.61 0.06 0.00 0.70 0.00 0.00 55.95 57.37 3gut s SER 269 Cb -0.01 -2.26 -0.01 0.00 -1.71 0.00 0.00 66.02 62.03 3gut s SER 269 CO -0.02 -0.10 -0.22 -0.32 1.20 0.00 0.00 173.24 173.77 3gut s MET 270 N 1.32 2.27 0.08 5.44 0.00 -1.04 0.21 119.30 127.58 3gut s MET 270 Ca 0.22 -0.81 -0.26 0.00 0.00 0.00 0.00 55.69 54.84 3gut s MET 270 Cb -0.15 -1.95 0.09 0.00 0.00 0.00 0.00 34.83 32.82 3gut s MET 270 CO 0.09 0.35 0.76 1.14 0.00 0.00 0.00 175.02 177.35 3gut s GLN 271 N -0.13 1.05 0.03 4.11 -2.07 0.05 0.12 119.66 122.83 3gut s GLN 271 Ca -0.03 -0.40 -0.30 0.00 -1.82 0.00 0.00 55.36 52.81 3gut s GLN 271 Cb -0.13 0.48 -0.04 0.00 -1.09 0.00 0.00 33.01 32.23 3gut s GLN 271 CO 0.03 -0.46 1.08 -0.51 -1.32 0.00 0.00 175.29 174.10 3gut s LEU 272 N -2.62 4.38 -0.10 2.60 1.02 -1.26 0.84 118.68 123.53 3gut s LEU 272 Ca 0.04 1.83 0.00 0.00 0.02 0.00 0.00 54.13 56.02 3gut s LEU 272 Cb -0.01 -3.58 0.02 0.00 0.02 0.00 0.00 46.19 42.65 3gut s LEU 272 CO -0.10 -0.34 -0.09 -0.60 0.02 0.00 0.00 176.35 175.24 3gut s ARG 273 N 0.96 1.61 -0.70 1.70 3.52 0.27 -1.62 118.95 124.68 3gut s ARG 273 Ca 0.55 -0.31 -0.16 0.00 -0.13 0.00 0.00 55.73 55.68 3gut s ARG 273 Cb -0.25 -1.57 0.16 0.00 -1.56 0.00 0.00 34.95 31.74 3gut s ARG 273 CO 0.29 -0.19 0.69 0.50 -0.81 0.00 0.00 175.30 175.78 3gut s ARG 274 N 1.44 3.30 0.18 5.12 3.52 -0.99 -1.23 118.95 130.28 3gut s ARG 274 Ca 0.00 -1.97 -0.09 0.00 -0.13 0.00 0.00 55.73 53.54 3gut s ARG 274 Cb -0.13 -4.40 0.24 0.00 -1.56 0.00 0.00 34.95 29.10 3gut s ARG 274 CO -0.05 -1.38 1.07 -2.30 -0.81 0.00 0.00 175.30 171.83 3gut n PRO 275 N 4.97 -0.11 -0.26 5.12 -0.02 -1.26 -1.40 135.00 142.03 3gut n PRO 275 Ca 0.01 1.07 0.26 0.00 -2.02 0.00 0.00 63.50 62.82 3gut n PRO 275 Cb 0.44 -1.59 0.63 0.00 -0.02 0.00 0.00 33.50 32.96 3gut n PRO 275 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3gut h SER 276 N 0.00 0.21 0.00 2.55 4.64 -1.93 -3.15 113.55 115.87 3gut h SER 276 Ca 0.29 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3gut h SER 276 Cb 0.46 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3gut h SER 276 CO -0.70 0.06 0.00 -0.90 -0.87 0.00 0.00 176.83 174.42 3gut n ASP 277 N -4.40 0.78 0.00 4.97 5.75 -0.50 -5.01 116.55 118.14 3gut n ASP 277 Ca 0.22 -1.29 0.00 0.00 -0.01 0.00 0.00 54.79 53.72 3gut n ASP 277 Cb 0.95 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.04 3gut n ASP 277 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3gut n ARG 278 N -0.14 -0.24 -1.73 0.11 1.74 -0.89 -4.98 116.66 110.54 3gut n ARG 278 Ca 0.00 0.06 -0.40 0.00 -0.77 0.00 0.00 57.85 56.74 3gut n ARG 278 Cb 0.27 -3.53 0.03 0.00 -1.02 0.00 0.00 32.46 28.21 3gut n ARG 278 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3gut n GLU 279 N -1.79 1.87 -4.20 5.56 4.07 -1.25 -4.84 120.64 120.06 3gut n GLU 279 Ca 0.00 0.67 -0.18 0.00 -0.06 0.00 0.00 57.16 57.59 3gut n GLU 279 Cb 0.06 -2.51 -0.15 0.00 -0.06 0.00 0.00 31.44 28.78 3gut n GLU 279 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3gut s LEU 280 N -2.62 1.68 0.93 4.31 1.43 -1.26 -2.35 118.68 120.80 3gut s LEU 280 Ca 0.66 -0.12 -0.13 0.00 -1.03 0.00 0.00 54.13 53.51 3gut s LEU 280 Cb -0.45 -0.39 0.15 0.00 0.03 0.00 0.00 46.19 45.53 3gut s LEU 280 CO 0.54 0.02 1.16 -0.94 0.23 0.00 0.00 176.35 177.35 3gut s SER 281 N 0.36 3.32 0.52 2.29 1.04 -0.64 -4.94 113.70 115.65 3gut s SER 281 Ca -0.04 0.85 -0.22 0.00 0.48 0.00 0.00 55.95 57.01 3gut s SER 281 Cb -0.08 -1.33 -0.06 0.00 0.10 0.00 0.00 66.02 64.65 3gut s SER 281 CO -0.00 -2.66 1.35 -0.70 0.98 0.00 0.00 173.24 172.22 3gut s GLU 282 N -5.38 3.30 0.47 4.02 2.12 -1.26 -4.61 118.70 117.35 3gut s GLU 282 Ca 0.65 2.23 -0.21 0.00 0.36 0.00 0.00 54.97 58.00 3gut s GLU 282 Cb -0.13 -2.35 -0.09 0.00 0.26 0.00 0.00 34.13 31.82 3gut s GLU 282 CO 0.53 -1.06 1.01 -1.25 -0.54 0.00 0.00 175.26 173.95 3gut s PRO 283 N -2.80 3.94 -0.14 4.30 0.04 -1.26 -4.68 135.00 134.40 3gut s PRO 283 Ca 0.69 1.30 0.01 0.00 0.04 0.00 0.00 61.00 63.04 3gut s PRO 283 Cb -0.40 -2.14 0.02 0.00 0.04 0.00 0.00 34.50 32.02 3gut s PRO 283 CO 0.48 -0.30 -0.15 -1.64 0.04 0.00 0.00 177.00 175.43 3gut s MET 284 N -3.18 2.30 0.15 4.56 -1.94 0.12 -4.92 119.30 116.39 3gut s MET 284 Ca 0.65 -0.57 -0.34 0.00 -1.71 0.00 0.00 55.69 53.73 3gut s MET 284 Cb -0.14 -2.05 -0.13 0.00 2.01 0.00 0.00 34.83 34.51 3gut s MET 284 CO 0.18 -0.17 1.62 0.39 -0.01 0.00 0.00 175.02 177.03 3gut n GLU 285 N 4.57 2.25 -3.95 2.03 4.71 -1.26 -2.50 120.64 126.48 3gut n GLU 285 Ca -0.18 0.81 -0.17 0.00 -0.01 0.00 0.00 57.16 57.62 3gut n GLU 285 Cb 0.50 -2.60 -0.16 0.00 -1.01 0.00 0.00 31.44 28.18 3gut n GLU 285 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 3gut s PHE 286 N 1.17 0.32 -0.40 -0.32 2.19 -0.59 -4.82 117.98 115.53 3gut s PHE 286 Ca 0.79 -0.01 -0.07 0.00 0.33 0.00 0.00 56.93 57.97 3gut s PHE 286 Cb -0.65 -0.38 0.08 0.00 -1.31 0.00 0.00 43.02 40.76 3gut s PHE 286 CO 0.38 -0.11 0.20 -1.14 1.83 0.00 0.00 175.22 176.38 3gut s GLN 287 N 0.84 2.47 0.26 10.12 0.74 0.02 0.72 119.66 134.82 3gut s GLN 287 Ca -0.09 -1.48 -0.29 0.00 0.05 0.00 0.00 55.36 53.55 3gut s GLN 287 Cb -0.12 -3.64 -0.09 0.00 1.10 0.00 0.00 33.01 30.26 3gut s GLN 287 CO -0.01 -0.91 1.17 0.71 -0.55 0.00 0.00 175.29 175.69 3gut s TYR 288 N 1.35 3.43 0.21 1.67 2.02 -0.75 -2.68 117.35 122.61 3gut s TYR 288 Ca 0.03 1.56 0.09 0.00 -0.37 0.00 0.00 57.07 58.37 3gut s TYR 288 Cb -0.22 -3.40 -0.05 0.00 -0.40 0.00 0.00 41.96 37.89 3gut s TYR 288 CO 0.01 -1.00 -0.17 -0.51 -1.57 0.00 0.00 175.55 172.31 3gut s LEU 289 N -1.11 2.54 0.68 -1.29 1.43 0.06 -1.74 118.68 119.25 3gut s LEU 289 Ca 0.48 -0.99 -0.16 0.00 -1.03 0.00 0.00 54.13 52.43 3gut s LEU 289 Cb -0.34 -0.81 0.01 0.00 0.03 0.00 0.00 46.19 45.09 3gut s LEU 289 CO 0.42 -0.09 1.19 -2.16 0.23 0.00 0.00 176.35 175.94 3gut s PRO 290 N -3.43 2.46 0.00 1.29 0.04 -1.26 -0.51 135.00 133.58 3gut s PRO 290 Ca 0.23 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.99 3gut s PRO 290 Cb -0.03 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.64 3gut s PRO 290 CO 0.09 -1.58 0.29 -0.25 0.04 0.00 0.00 177.00 175.58