#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gut n TYR 20 N 0.00 0.14 -4.67 0.00 4.11 -0.87 -4.83 117.16 111.04 3gut n TYR 20 Ca 0.00 -2.26 -0.26 0.00 -0.00 0.00 0.00 57.90 55.39 3gut n TYR 20 Cb 0.00 -0.01 -0.14 0.00 -0.00 0.00 0.00 39.34 39.19 3gut n TYR 20 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 3gut s VAL 21 N -2.87 1.68 -0.07 -3.48 1.01 -1.26 -0.37 120.40 115.04 3gut s VAL 21 Ca 0.17 -1.19 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 3gut s VAL 21 Cb 0.01 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.96 3gut s VAL 21 CO 0.12 0.22 0.18 -1.83 0.00 0.00 0.00 175.10 173.80 3gut s GLU 22 N -1.14 0.19 -0.27 2.72 -1.05 -0.44 -4.96 118.70 113.74 3gut s GLU 22 Ca 0.08 0.28 -0.29 0.00 -0.15 0.00 0.00 54.97 54.89 3gut s GLU 22 Cb -0.09 0.05 0.00 0.00 -0.44 0.00 0.00 34.13 33.65 3gut s GLU 22 CO 0.02 -0.05 1.23 0.42 0.95 0.00 0.00 175.26 177.83 3gut s ILE 23 N 0.32 4.27 -0.12 1.83 1.09 -1.26 0.28 121.20 127.60 3gut s ILE 23 Ca -0.02 1.47 -0.28 0.00 -1.10 0.00 0.00 60.65 60.72 3gut s ILE 23 Cb -0.03 -4.18 -0.27 0.00 -1.06 0.00 0.00 42.46 36.92 3gut s ILE 23 CO -0.01 -0.39 0.80 0.40 -0.10 0.00 0.00 174.94 175.64 3gut h ILE 24 N 5.79 1.75 -3.38 2.92 2.04 0.41 -3.43 117.51 123.62 3gut h ILE 24 Ca -0.25 -2.34 -0.64 0.00 1.00 0.00 0.00 64.86 62.63 3gut h ILE 24 Cb 1.09 3.34 -0.41 0.00 -0.74 0.00 0.00 36.82 40.10 3gut h ILE 24 CO 1.02 0.62 -0.64 -0.70 0.00 0.00 0.00 178.15 178.45 3gut s GLU 25 N -2.31 1.94 0.96 2.37 2.56 0.11 -4.91 118.70 119.42 3gut s GLU 25 Ca -0.18 -2.58 -0.12 0.00 0.00 0.00 0.00 54.97 52.09 3gut s GLU 25 Cb -0.02 -3.29 0.11 0.00 2.00 0.00 0.00 34.13 32.92 3gut s GLU 25 CO 0.71 -1.10 0.76 1.04 -0.56 0.00 0.00 175.26 176.11 3gut n GLN 26 N 3.16 -0.57 -1.95 4.30 1.13 -1.26 -1.15 117.38 121.04 3gut n GLN 26 Ca 0.05 -0.11 -0.29 0.00 -1.94 0.00 0.00 57.00 54.71 3gut n GLN 26 Cb 0.32 -2.11 0.08 0.00 0.11 0.00 0.00 30.24 28.65 3gut n GLN 26 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3gut s PRO 27 N -4.13 2.14 0.23 -1.09 0.04 -1.26 -3.35 135.00 127.58 3gut s PRO 27 Ca 0.62 0.11 -0.30 0.00 0.04 0.00 0.00 61.00 61.48 3gut s PRO 27 Cb -0.22 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 3gut s PRO 27 CO 0.63 -1.45 1.01 0.21 0.04 0.00 0.00 177.00 177.43 3gut s LYS 28 N -5.49 4.75 -0.02 4.56 2.20 0.58 -4.60 119.74 121.71 3gut s LYS 28 Ca 0.61 1.60 -0.23 0.00 -0.36 0.00 0.00 55.97 57.59 3gut s LYS 28 Cb -0.11 -3.26 -0.21 0.00 -1.51 0.00 0.00 37.83 32.74 3gut s LYS 28 CO 0.49 0.35 1.13 1.96 -0.36 0.00 0.00 175.35 178.91 3gut h GLN 29 N 4.32 0.21 -5.73 4.03 4.20 -1.87 -3.44 115.11 116.83 3gut h GLN 29 Ca -0.45 -0.18 -0.54 0.00 0.06 0.00 0.00 58.65 57.54 3gut h GLN 29 Cb 1.21 0.04 -0.14 0.00 0.30 0.00 0.00 27.48 28.89 3gut h GLN 29 CO 0.69 0.85 -0.70 1.03 -0.67 0.00 0.00 178.83 180.03 3gut s ARG 30 N -3.51 1.61 0.00 1.46 0.52 -1.26 0.84 118.95 118.61 3gut s ARG 30 Ca -0.15 -1.80 0.00 0.00 -0.52 0.00 0.00 55.73 53.26 3gut s ARG 30 Cb 0.02 -1.38 0.00 0.00 0.52 0.00 0.00 34.95 34.11 3gut s ARG 30 CO 0.74 0.13 0.00 0.41 0.02 0.00 0.00 175.30 176.60 3gut n GLY 31 N -0.62 3.51 3.75 -3.53 0.00 -1.26 -4.99 105.19 102.04 3gut n GLY 31 Ca -0.06 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 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 4.36 -0.10 1.61 -1.94 -1.26 -4.79 119.30 117.18 3gut s MET 32 Ca 0.00 0.77 -0.04 0.00 -1.71 0.00 0.00 55.69 54.71 3gut s MET 32 Cb 0.00 -3.38 -0.04 0.00 2.01 0.00 0.00 34.83 33.43 3gut s MET 32 CO 0.00 0.27 0.07 -0.98 -0.01 0.00 0.00 175.02 174.37 3gut s ARG 33 N 0.12 3.22 0.28 2.03 1.70 -1.26 -3.11 118.95 121.94 3gut s ARG 33 Ca 0.33 -0.27 -0.29 0.00 -0.47 0.00 0.00 55.73 55.02 3gut s ARG 33 Cb -0.18 -3.00 -0.10 0.00 -0.57 0.00 0.00 34.95 31.11 3gut s ARG 33 CO 0.17 0.73 1.16 -0.06 -1.08 0.00 0.00 175.30 176.23 3gut s PHE 34 N -0.93 3.43 0.10 5.89 0.08 -1.26 -4.86 117.98 120.42 3gut s PHE 34 Ca 0.14 1.60 0.06 0.00 0.12 0.00 0.00 56.93 58.85 3gut s PHE 34 Cb -0.12 -3.40 -0.04 0.00 -0.57 0.00 0.00 43.02 38.89 3gut s PHE 34 CO 0.03 -0.94 -0.04 1.03 -0.10 0.00 0.00 175.22 175.20 3gut s ARG 35 N -1.40 2.38 0.70 0.44 1.81 -1.24 -4.86 118.95 116.78 3gut s ARG 35 Ca 0.46 -0.92 -0.06 0.00 -1.72 0.00 0.00 55.73 53.50 3gut s ARG 35 Cb -0.34 -2.45 0.07 0.00 -0.45 0.00 0.00 34.95 31.79 3gut s ARG 35 CO 0.44 0.52 1.00 0.71 -0.68 0.00 0.00 175.30 177.29 3gut s TYR 36 N -1.29 2.66 0.21 -0.53 1.51 -1.26 -1.73 117.35 116.92 3gut s TYR 36 Ca 0.24 0.29 -0.04 0.00 -1.01 0.00 0.00 57.07 56.55 3gut s TYR 36 Cb -0.11 -3.18 0.18 0.00 -0.11 0.00 0.00 41.96 38.73 3gut s TYR 36 CO 0.17 -1.46 1.61 -0.22 -1.11 0.00 0.00 175.55 174.54 3gut h LYS 37 N -0.57 0.74 0.00 -0.62 3.64 -1.94 -2.62 116.57 115.19 3gut h LYS 37 Ca -0.43 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 58.63 3gut h LYS 37 Cb 1.30 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3gut h LYS 37 CO 0.55 0.93 0.00 0.00 -2.27 0.00 0.00 179.45 178.66 3gut n GLU 39 N -1.30 1.71 -1.51 0.00 1.02 -0.99 -4.96 120.64 114.60 3gut n GLU 39 Ca 0.08 0.00 -0.59 0.00 -0.02 0.00 0.00 57.16 56.63 3gut n GLU 39 Cb 0.14 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.48 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 -0.03 0.64 0.62 0.00 -1.26 -4.67 105.19 105.50 3gut n GLY 40 Ca 0.00 0.83 0.45 0.00 0.00 0.00 0.00 46.02 47.30 3gut n GLY 40 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3gut h ARG 41 N 3.77 0.00 -6.02 1.61 2.43 -1.93 -3.34 114.38 110.90 3gut h ARG 41 Ca -0.44 0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.09 3gut h ARG 41 Cb 1.29 0.00 -0.30 0.00 -0.42 0.00 0.00 29.97 30.54 3gut h ARG 41 CO 0.77 0.00 -0.87 0.45 -1.51 0.00 0.00 179.97 178.81 3gut s SER 42 N -4.17 2.68 0.00 -3.80 0.15 -1.26 -5.08 113.70 102.22 3gut s SER 42 Ca -0.05 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.18 3gut s SER 42 Cb 0.24 -0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 3gut s SER 42 CO 0.82 0.25 0.00 0.00 1.20 0.00 0.00 173.24 175.50 3gut n ALA 43 N 2.74 0.00 -3.00 5.45 0.00 -1.26 -5.10 120.51 119.35 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 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 5.35 3.02 0.00 0.00 -1.26 -5.07 105.19 112.22 3gut n GLY 44 Ca 0.00 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 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 0.33 0.13 1.61 0.15 -1.25 -4.58 113.70 111.09 3gut s SER 45 Ca 0.00 0.59 -0.33 0.00 0.70 0.00 0.00 55.95 56.91 3gut s SER 45 Cb 0.00 0.76 -0.13 0.00 -1.71 0.00 0.00 66.02 64.95 3gut s SER 45 CO 0.00 -0.24 1.69 -0.38 1.20 0.00 0.00 173.24 175.51 3gut n ILE 46 N 5.35 0.14 -1.97 6.45 -0.00 0.10 -4.93 119.36 124.51 3gut n ILE 46 Ca -0.06 -0.02 -0.32 0.00 -0.00 0.00 0.00 62.75 62.35 3gut n ILE 46 Cb 0.50 -1.78 0.01 0.00 -0.00 0.00 0.00 39.64 38.37 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 1.68 3.44 0.00 0.38 0.02 -1.26 -4.56 135.00 134.70 3gut s PRO 47 Ca 0.80 0.97 0.00 0.00 0.02 0.00 0.00 61.00 62.80 3gut s PRO 47 Cb -0.61 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 31.85 3gut s PRO 47 CO 0.38 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.77 3gut n GLY 48 N -1.79 -2.56 0.00 0.52 0.00 0.19 -2.63 105.19 98.92 3gut n GLY 48 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.21 0.22 120.64 123.38 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 -0.09 0.00 0.00 0.27 0.00 0.00 31.44 31.62 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 0.64 -2.38 5.31 1.74 -1.26 -4.92 116.66 115.79 3gut n ARG 50 Ca 0.00 -0.69 -0.42 0.00 -0.77 0.00 0.00 57.85 55.97 3gut n ARG 50 Cb 0.14 -0.77 -0.03 0.00 -1.02 0.00 0.00 32.46 30.78 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 -0.29 6.99 0.49 0.55 1.04 -1.26 -4.78 113.70 116.43 3gut s SER 51 Ca 0.00 1.95 0.02 0.00 0.48 0.00 0.00 55.95 58.40 3gut s SER 51 Cb 0.00 -2.56 0.02 0.00 0.10 0.00 0.00 66.02 63.58 3gut s SER 51 CO 0.00 -0.60 0.18 0.35 0.98 0.00 0.00 173.24 174.15 3gut n THR 52 N 4.49 0.00 -0.20 2.02 -2.24 0.31 -4.82 114.28 113.84 3gut n THR 52 Ca 0.11 -2.11 -0.05 0.00 -2.27 0.00 0.00 64.05 59.73 3gut n THR 52 Cb 0.45 0.20 0.04 0.00 -2.10 0.00 0.00 70.33 68.93 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 0.87 0.64 0.00 3.42 3.32 -2.03 -3.21 116.42 119.44 3gut h ASP 53 Ca -0.36 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.69 3gut h ASP 53 Cb 1.17 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.57 3gut h ASP 53 CO 0.58 0.45 0.00 0.35 -1.72 0.00 0.00 179.24 178.90 3gut n THR 54 N -4.71 0.00 -4.57 0.35 -2.24 -1.26 -4.73 114.28 97.12 3gut n THR 54 Ca 0.05 1.43 -0.33 0.00 -2.27 0.00 0.00 64.05 62.92 3gut n THR 54 Cb 0.05 -2.43 -0.13 0.00 -2.10 0.00 0.00 70.33 65.72 3gut n THR 54 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3gut s THR 55 N -2.79 3.49 -0.16 4.28 -4.23 -1.21 -5.11 115.64 109.91 3gut s THR 55 Ca 0.00 -0.50 -0.08 0.00 -1.18 0.00 0.00 61.69 59.93 3gut s THR 55 Cb 0.00 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 3gut s THR 55 CO 0.00 0.51 0.11 -0.75 -0.54 0.00 0.00 174.62 173.94 3gut s LYS 56 N 0.37 3.84 0.53 3.99 2.20 -1.25 0.11 119.74 129.53 3gut s LYS 56 Ca -0.07 -0.24 0.04 0.00 -0.36 0.00 0.00 55.97 55.33 3gut s LYS 56 Cb -0.15 -3.26 0.02 0.00 -1.51 0.00 0.00 37.83 32.93 3gut s LYS 56 CO 0.04 0.46 0.25 0.95 -0.36 0.00 0.00 175.35 176.69 3gut s THR 57 N -0.12 1.47 0.23 3.43 -4.23 -1.26 -4.95 115.64 110.21 3gut s THR 57 Ca 0.09 -1.68 -0.07 0.00 -1.18 0.00 0.00 61.69 58.85 3gut s THR 57 Cb -0.12 -2.15 -0.02 0.00 1.34 0.00 0.00 72.50 71.56 3gut s THR 57 CO 0.01 0.00 0.33 -1.00 -0.54 0.00 0.00 174.62 173.41 3gut s HIS 58 N -2.81 0.75 -0.10 3.99 0.09 -1.26 -0.63 115.29 115.32 3gut s HIS 58 Ca 0.23 -1.04 -0.30 0.00 -0.00 0.00 0.00 55.06 53.94 3gut s HIS 58 Cb -0.01 -0.15 -0.08 0.00 -0.00 0.00 0.00 32.58 32.33 3gut s HIS 58 CO 0.14 -0.85 2.06 -2.30 -0.00 0.00 0.00 174.74 173.80 3gut n PRO 59 N -0.35 2.32 -3.90 8.40 -0.02 -1.25 -4.58 135.00 135.63 3gut n PRO 59 Ca 0.00 0.78 -0.29 0.00 -2.02 0.00 0.00 63.50 61.98 3gut n PRO 59 Cb 0.64 -2.99 -0.16 0.00 -0.02 0.00 0.00 33.50 30.96 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 5.93 1.17 0.40 3.45 2.01 -0.30 -1.13 115.64 127.17 3gut s THR 60 Ca 0.95 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 62.27 3gut s THR 60 Cb -0.47 -1.36 -0.01 0.00 0.01 0.00 0.00 72.50 70.67 3gut s THR 60 CO 0.42 0.10 0.59 0.27 -0.69 0.00 0.00 174.62 175.31 3gut s ILE 61 N 1.60 4.12 -0.04 1.82 -4.36 -1.00 0.29 121.20 123.63 3gut s ILE 61 Ca -0.00 -0.66 0.01 0.00 -0.26 0.00 0.00 60.65 59.73 3gut s ILE 61 Cb -0.16 -3.49 0.02 0.00 1.25 0.00 0.00 42.46 40.09 3gut s ILE 61 CO -0.08 -0.29 -0.04 -0.75 0.24 0.00 0.00 174.94 174.03 3gut s LYS 62 N -4.41 0.76 -0.27 0.37 2.20 0.14 -2.02 119.74 116.51 3gut s LYS 62 Ca 0.46 -0.08 -0.15 0.00 -0.36 0.00 0.00 55.97 55.85 3gut s LYS 62 Cb -0.10 -0.80 -0.04 0.00 -1.51 0.00 0.00 37.83 35.38 3gut s LYS 62 CO 0.35 -0.10 0.36 0.42 -0.36 0.00 0.00 175.35 176.03 3gut s ILE 63 N 0.97 5.18 -0.30 5.43 1.01 -0.28 -1.33 121.20 131.89 3gut s ILE 63 Ca -0.10 0.54 -0.14 0.00 0.00 0.00 0.00 60.65 60.95 3gut s ILE 63 Cb -0.14 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 3gut s ILE 63 CO -0.00 0.16 0.33 0.20 0.00 0.00 0.00 174.94 175.62 3gut s ASN 64 N 1.65 6.18 0.00 3.58 -0.87 0.50 -4.33 114.94 121.64 3gut s ASN 64 Ca 0.15 0.04 0.00 0.00 -1.57 0.00 0.00 52.86 51.48 3gut s ASN 64 Cb -0.16 -2.19 0.00 0.00 -0.02 0.00 0.00 41.25 38.89 3gut s ASN 64 CO 0.10 -0.21 0.00 0.61 -2.57 0.00 0.00 177.10 175.03 3gut n GLY 65 N 4.86 1.02 0.00 0.66 0.00 -1.26 -2.05 105.19 108.42 3gut n GLY 65 Ca -0.10 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3gut n GLY 65 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gut n TYR 66 N -1.25 0.00 -3.53 1.61 4.19 -1.26 -4.57 117.16 112.36 3gut n TYR 66 Ca 0.00 0.00 -0.22 0.00 3.31 0.00 0.00 57.90 60.99 3gut n TYR 66 Cb 0.22 0.00 -0.14 0.00 0.49 0.00 0.00 39.34 39.90 3gut n TYR 66 CO 0.00 0.00 0.00 0.99 0.91 0.00 0.00 176.86 178.76 3gut s THR 67 N 0.00 -0.23 -2.85 2.97 2.01 -1.26 -4.80 115.64 111.48 3gut s THR 67 Ca 0.00 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.79 3gut s THR 67 Cb 0.00 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 71.83 3gut s THR 67 CO 0.00 -0.29 0.00 0.61 -0.69 0.00 0.00 174.62 174.25 3gut n GLY 68 N 5.30 -1.13 3.70 4.40 0.00 -0.32 -4.91 105.19 112.23 3gut n GLY 68 Ca -0.06 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 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 0.00 1.73 -3.62 1.61 -0.02 -1.26 -4.15 135.00 129.30 3gut n PRO 69 Ca 0.00 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3gut n PRO 69 Cb 0.00 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 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 0.85 -1.69 3.11 -1.23 0.00 -1.26 -4.29 105.19 100.69 3gut n GLY 70 Ca 0.09 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.61 0.15 -0.02 2.61 -4.23 -0.88 -1.02 115.64 109.65 3gut s THR 71 Ca 0.00 -1.22 0.03 0.00 -1.18 0.00 0.00 61.69 59.32 3gut s THR 71 Cb 0.00 -1.02 -0.00 0.00 1.34 0.00 0.00 72.50 72.82 3gut s THR 71 CO 0.00 -0.67 -0.10 0.54 -0.54 0.00 0.00 174.62 173.85 3gut s VAL 72 N -2.91 0.81 -0.12 2.29 0.11 -0.78 0.96 120.40 120.75 3gut s VAL 72 Ca -0.02 -0.41 0.02 0.00 -2.93 0.00 0.00 61.98 58.64 3gut s VAL 72 Cb 0.01 -0.70 0.01 0.00 -1.53 0.00 0.00 36.38 34.16 3gut s VAL 72 CO -0.06 0.24 -0.19 -0.60 -3.33 0.00 0.00 175.10 171.17 3gut s ARG 73 N -0.00 2.62 -0.29 1.54 3.52 -0.09 -2.03 118.95 124.21 3gut s ARG 73 Ca 0.00 -0.71 -0.08 0.00 -0.13 0.00 0.00 55.73 54.81 3gut s ARG 73 Cb -0.07 -2.17 -0.00 0.00 -1.56 0.00 0.00 34.95 31.16 3gut s ARG 73 CO 0.00 -0.04 0.10 0.42 -0.81 0.00 0.00 175.30 174.97 3gut s ILE 74 N 0.90 4.21 0.18 4.11 -1.09 0.31 -1.47 121.20 128.35 3gut s ILE 74 Ca -0.07 -0.52 0.11 0.00 -2.23 0.00 0.00 60.65 57.94 3gut s ILE 74 Cb -0.15 -3.12 -0.04 0.00 -1.58 0.00 0.00 42.46 37.56 3gut s ILE 74 CO -0.02 0.13 -0.23 -0.55 -1.23 0.00 0.00 174.94 173.03 3gut s SER 75 N 1.55 3.48 -0.13 3.58 0.15 -0.42 -0.68 113.70 121.24 3gut s SER 75 Ca 0.04 -0.82 -0.16 0.00 0.70 0.00 0.00 55.95 55.71 3gut s SER 75 Cb -0.17 -0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 63.81 3gut s SER 75 CO 0.04 0.13 0.39 -0.22 1.20 0.00 0.00 173.24 174.78 3gut s LEU 76 N -2.56 4.28 0.00 3.45 2.96 -1.26 0.12 118.68 125.67 3gut s LEU 76 Ca 0.20 0.70 0.04 0.00 -0.22 0.00 0.00 54.13 54.84 3gut s LEU 76 Cb -0.08 -2.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.05 3gut s LEU 76 CO 0.10 0.07 0.13 1.33 -1.32 0.00 0.00 176.35 176.66 3gut n VAL 77 N 3.46 0.00 -2.14 1.68 0.24 -0.98 -1.73 118.33 118.85 3gut n VAL 77 Ca -0.10 -1.70 -0.32 0.00 -2.04 0.00 0.00 64.34 60.18 3gut n VAL 77 Cb 0.52 0.67 -0.01 0.00 -1.47 0.00 0.00 33.84 33.55 3gut n VAL 77 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3gut s THR 78 N -2.72 4.50 0.07 3.34 -4.23 0.06 -3.28 115.64 113.38 3gut s THR 78 Ca 0.18 1.04 -0.34 0.00 -1.18 0.00 0.00 61.69 61.39 3gut s THR 78 Cb 0.01 -3.72 -0.19 0.00 1.34 0.00 0.00 72.50 69.93 3gut s THR 78 CO 0.13 -0.84 1.61 0.50 -0.54 0.00 0.00 174.62 175.48 3gut h LYS 79 N 0.37 -0.99 -6.65 3.99 3.64 -1.88 -3.42 116.57 111.61 3gut h LYS 79 Ca -0.46 0.07 -0.51 0.00 -1.27 0.00 0.00 60.65 58.48 3gut h LYS 79 Cb 1.19 0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 33.23 3gut h LYS 79 CO 0.61 -0.66 -0.01 -0.51 -2.27 0.00 0.00 179.45 176.60 3gut s ASP 80 N -4.29 6.50 0.00 4.20 1.01 -1.26 -4.94 116.67 117.89 3gut s ASP 80 Ca -0.18 0.94 0.00 0.00 0.71 0.00 0.00 52.55 54.01 3gut s ASP 80 Cb 0.03 -2.24 0.00 0.00 1.01 0.00 0.00 42.92 41.72 3gut s ASP 80 CO 0.61 -0.28 0.00 -2.65 0.21 0.00 0.00 175.17 173.06 3gut n PRO 81 N -1.03 0.00 -2.17 8.23 -0.02 -1.26 -3.59 135.00 135.16 3gut n PRO 81 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 3gut n PRO 81 Cb 0.54 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.97 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 -0.53 2.80 -0.90 0.52 0.02 -1.26 -4.81 135.00 130.85 3gut s PRO 82 Ca 0.00 -0.72 -0.19 0.00 0.02 0.00 0.00 61.00 60.11 3gut s PRO 82 Cb 0.00 -5.18 -0.12 0.00 0.02 0.00 0.00 34.50 29.22 3gut s PRO 82 CO 0.00 -3.25 2.00 0.72 -0.33 0.00 0.00 177.00 176.14 3gut n HIS 83 N 12.90 2.08 -1.12 6.54 8.25 -1.24 -4.79 115.22 137.84 3gut n HIS 83 Ca 0.41 -2.01 -0.30 0.00 -0.26 0.00 0.00 57.72 55.56 3gut n HIS 83 Cb 0.47 -1.84 0.15 0.00 1.12 0.00 0.00 29.99 29.89 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 4.56 1.12 0.08 -0.41 0.52 -1.26 -4.57 118.95 118.99 3gut s ARG 84 Ca 0.54 0.89 -0.30 0.00 -0.52 0.00 0.00 55.73 56.34 3gut s ARG 84 Cb 0.14 -1.79 -0.05 0.00 0.52 0.00 0.00 34.95 33.77 3gut s ARG 84 CO 0.07 -2.35 1.09 -1.25 0.02 0.00 0.00 175.30 172.88 3gut s PRO 85 N -4.88 4.54 0.31 3.54 0.04 -1.26 -0.76 135.00 136.54 3gut s PRO 85 Ca 0.64 1.63 -0.28 0.00 0.04 0.00 0.00 61.00 63.03 3gut s PRO 85 Cb -0.19 -3.36 -0.09 0.00 0.04 0.00 0.00 34.50 30.90 3gut s PRO 85 CO 0.58 -0.06 1.10 -1.58 0.04 0.00 0.00 177.00 177.07 3gut s HIS 86 N 0.59 3.47 0.38 0.56 2.46 -0.71 -4.76 115.29 117.28 3gut s HIS 86 Ca 0.53 1.67 0.11 0.00 0.47 0.00 0.00 55.06 57.85 3gut s HIS 86 Cb -0.27 -3.27 0.90 0.00 -0.13 0.00 0.00 32.58 29.82 3gut s HIS 86 CO 0.30 -0.65 1.90 -1.35 -2.47 0.00 0.00 174.74 172.47 3gut h PRO 87 N 3.46 0.57 -7.09 2.88 0.11 -1.92 -3.43 132.00 126.58 3gut h PRO 87 Ca -0.47 -0.03 -0.54 0.00 0.11 0.00 0.00 66.00 65.06 3gut h PRO 87 Cb 1.21 -0.13 0.13 0.00 0.11 0.00 0.00 31.00 32.32 3gut h PRO 87 CO 0.66 0.38 0.50 -1.01 -0.21 0.00 0.00 178.00 178.32 3gut s HIS 88 N -5.57 2.28 -0.15 0.65 3.76 -1.26 -4.72 115.29 110.27 3gut s HIS 88 Ca -0.09 1.49 -0.03 0.00 -0.15 0.00 0.00 55.06 56.28 3gut s HIS 88 Cb 0.21 -3.59 -0.03 0.00 1.11 0.00 0.00 32.58 30.29 3gut s HIS 88 CO 0.78 -2.52 -0.05 -1.21 -0.85 0.00 0.00 174.74 170.89 3gut s GLU 89 N -3.29 3.64 -0.46 1.40 2.02 0.25 -4.85 118.70 117.42 3gut s GLU 89 Ca 0.78 -0.54 -0.24 0.00 0.02 0.00 0.00 54.97 55.00 3gut s GLU 89 Cb -0.34 -2.89 0.03 0.00 0.10 0.00 0.00 34.13 31.03 3gut s GLU 89 CO 0.37 0.23 0.83 -1.17 0.02 0.00 0.00 175.26 175.54 3gut s LEU 90 N 0.39 4.18 0.06 1.80 2.96 -1.08 0.43 118.68 127.41 3gut s LEU 90 Ca -0.05 -0.06 0.07 0.00 -0.22 0.00 0.00 54.13 53.88 3gut s LEU 90 Cb -0.14 -3.02 -0.03 0.00 0.50 0.00 0.00 46.19 43.49 3gut s LEU 90 CO 0.03 -0.97 -0.17 0.68 -1.32 0.00 0.00 176.35 174.60 3gut s VAL 91 N 3.44 2.87 -5.00 1.68 -7.23 0.34 -3.85 120.40 112.66 3gut s VAL 91 Ca 0.32 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 3gut s VAL 91 Cb -0.12 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.58 3gut s VAL 91 CO 0.24 0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.90 3gut n GLY 92 N 1.30 0.17 3.71 2.32 0.00 -1.26 -1.74 105.19 109.68 3gut n GLY 92 Ca -0.16 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 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 4.24 -1.33 1.61 2.47 -1.20 -2.76 119.74 120.77 3gut s LYS 93 Ca 0.00 2.27 0.00 0.00 -1.56 0.00 0.00 55.97 56.68 3gut s LYS 93 Cb 0.00 -3.27 0.00 0.00 -1.46 0.00 0.00 37.83 33.10 3gut s LYS 93 CO 0.00 -0.58 0.00 -0.25 0.16 0.00 0.00 175.35 174.68 3gut n ASP 94 N 4.29 -4.49 -4.89 1.43 8.00 -1.26 -4.85 116.55 114.78 3gut n ASP 94 Ca 0.14 0.13 -0.21 0.00 0.71 0.00 0.00 54.79 55.56 3gut n ASP 94 Cb 0.40 -3.48 -0.02 0.00 -0.02 0.00 0.00 41.12 38.00 3gut n ASP 94 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gut n ARG 96 N -1.61 0.00 -1.63 0.00 1.85 -0.38 -4.91 116.66 109.97 3gut n ARG 96 Ca 0.04 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.75 3gut n ARG 96 Cb 0.62 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.98 3gut n ARG 96 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3gut n ASP 97 N 0.00 -3.71 0.00 2.89 9.92 -1.26 -0.90 116.55 123.49 3gut n ASP 97 Ca 0.00 0.30 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 3gut n ASP 97 Cb 0.00 -3.37 0.00 0.00 -0.64 0.00 0.00 41.12 37.11 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 -0.38 0.41 3.08 0.44 0.00 -1.26 -4.92 105.19 102.55 3gut n GLY 98 Ca -0.14 -0.87 -0.07 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.00 0.49 0.05 1.61 -0.85 -0.08 -2.65 117.35 113.92 3gut s TYR 99 Ca 0.00 -1.00 0.03 0.00 -0.52 0.00 0.00 57.07 55.58 3gut s TYR 99 Cb 0.00 -0.36 -0.04 0.00 0.38 0.00 0.00 41.96 41.94 3gut s TYR 99 CO 0.00 -0.36 0.00 -0.47 -1.52 0.00 0.00 175.55 173.20 3gut s TYR 100 N -3.64 3.03 -0.28 -3.49 6.14 0.14 -1.26 117.35 118.00 3gut s TYR 100 Ca 0.04 0.02 -0.18 0.00 0.64 0.00 0.00 57.07 57.59 3gut s TYR 100 Cb 0.06 -1.60 0.09 0.00 0.42 0.00 0.00 41.96 40.93 3gut s TYR 100 CO -0.09 0.47 0.75 -2.00 0.64 0.00 0.00 175.55 175.33 3gut s GLU 101 N -1.99 0.67 0.36 4.97 2.12 -0.98 0.11 118.70 123.96 3gut s GLU 101 Ca 0.23 1.07 -0.17 0.00 0.36 0.00 0.00 54.97 56.47 3gut s GLU 101 Cb -0.12 0.18 0.04 0.00 0.26 0.00 0.00 34.13 34.50 3gut s GLU 101 CO 0.15 -0.13 0.76 0.00 -0.54 0.00 0.00 175.26 175.51 3gut s ALA 102 N 1.30 -0.81 0.19 6.30 0.00 -0.86 -4.77 121.76 123.11 3gut s ALA 102 Ca -0.07 -0.67 -0.25 0.00 0.00 0.00 0.00 51.96 50.97 3gut s ALA 102 Cb -0.05 0.73 -0.08 0.00 0.00 0.00 0.00 23.12 23.72 3gut s ALA 102 CO -0.15 -0.99 0.78 -0.51 0.00 0.00 0.00 175.76 174.89 3gut s ASP 103 N -3.04 7.34 0.61 0.00 1.01 -1.26 -1.87 116.67 119.45 3gut s ASP 103 Ca 0.15 1.63 -0.16 0.00 0.71 0.00 0.00 52.55 54.88 3gut s ASP 103 Cb -0.05 -2.49 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 3gut s ASP 103 CO 0.11 0.16 1.08 -0.76 0.21 0.00 0.00 175.17 175.96 3gut s LEU 104 N -1.36 3.50 -0.33 1.23 1.02 -0.18 -4.87 118.68 117.69 3gut s LEU 104 Ca 0.38 1.92 -0.29 0.00 0.02 0.00 0.00 54.13 56.16 3gut s LEU 104 Cb -0.22 -4.55 -0.00 0.00 0.02 0.00 0.00 46.19 41.44 3gut s LEU 104 CO 0.25 -1.31 1.48 0.00 0.02 0.00 0.00 176.35 176.79 3gut h PRO 106 N 10.64 0.10 -0.57 0.00 0.13 -1.92 -2.62 132.00 137.76 3gut h PRO 106 Ca -0.29 -0.01 -0.28 0.00 -0.87 0.00 0.00 66.00 64.55 3gut h PRO 106 Cb 1.12 -0.02 -0.17 0.00 0.13 0.00 0.00 31.00 32.06 3gut h PRO 106 CO 1.05 0.07 0.16 -0.40 -0.23 0.00 0.00 178.00 178.65 3gut n ASP 107 N -4.38 3.01 -3.78 1.44 5.68 -1.26 -1.18 116.55 116.08 3gut n ASP 107 Ca 0.13 -3.68 -0.13 0.00 -0.50 0.00 0.00 54.79 50.61 3gut n ASP 107 Cb 0.67 -0.70 -0.10 0.00 -1.14 0.00 0.00 41.12 39.85 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 -3.24 0.51 0.00 0.11 3.52 -0.99 -5.03 118.95 113.83 3gut s ARG 108 Ca 0.49 0.01 0.22 0.00 -0.13 0.00 0.00 55.73 56.32 3gut s ARG 108 Cb 0.43 0.23 0.01 0.00 -1.56 0.00 0.00 34.95 34.06 3gut s ARG 108 CO 0.04 -0.12 1.08 0.45 -0.81 0.00 0.00 175.30 175.95 3gut n SER 109 N 1.95 2.11 -4.14 -2.12 2.88 -1.26 -4.67 113.62 108.37 3gut n SER 109 Ca -0.18 -1.55 -0.29 0.00 -1.33 0.00 0.00 58.87 55.51 3gut n SER 109 Cb 0.57 0.42 -0.17 0.00 -0.75 0.00 0.00 64.21 64.28 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 -2.36 1.70 -0.05 2.46 1.01 -1.26 -1.13 121.20 121.56 3gut s ILE 110 Ca 0.19 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 3gut s ILE 110 Cb 0.18 -1.49 0.03 0.00 0.01 0.00 0.00 42.46 41.19 3gut s ILE 110 CO 0.52 0.48 0.02 -1.00 0.00 0.00 0.00 174.94 174.97 3gut s HIS 111 N 0.48 0.38 -0.11 3.97 3.76 -0.86 -5.00 115.29 117.92 3gut s HIS 111 Ca -0.17 0.02 -0.05 0.00 -0.15 0.00 0.00 55.06 54.72 3gut s HIS 111 Cb -0.17 -0.62 -0.04 0.00 1.11 0.00 0.00 32.58 32.86 3gut s HIS 111 CO 0.07 -0.25 0.08 -1.54 -0.85 0.00 0.00 174.74 172.25 3gut s SER 112 N 1.91 5.84 -0.62 1.40 1.04 -1.26 -2.37 113.70 119.65 3gut s SER 112 Ca 0.03 0.31 -0.08 0.00 0.48 0.00 0.00 55.95 56.68 3gut s SER 112 Cb -0.12 -1.80 0.16 0.00 0.10 0.00 0.00 66.02 64.36 3gut s SER 112 CO -0.04 0.38 0.49 -0.36 0.98 0.00 0.00 173.24 174.69 3gut s PHE 113 N -0.88 3.51 -2.00 5.02 0.08 -0.28 -4.91 117.98 118.51 3gut s PHE 113 Ca 0.14 -2.23 0.13 0.00 0.12 0.00 0.00 56.93 55.09 3gut s PHE 113 Cb -0.12 -3.47 0.79 0.00 -0.57 0.00 0.00 43.02 39.65 3gut s PHE 113 CO 0.03 -0.94 1.47 0.00 -0.10 0.00 0.00 175.22 175.68 3gut n GLN 114 N 4.13 0.95 -2.89 0.44 10.64 -1.26 -4.02 117.38 125.38 3gut n GLN 114 Ca 0.04 0.00 -0.18 0.00 -1.83 0.00 0.00 57.00 55.03 3gut n GLN 114 Cb 0.41 -1.22 -0.01 0.00 -0.86 0.00 0.00 30.24 28.57 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 -0.72 2.18 -4.79 2.61 5.03 -1.26 -4.82 115.26 113.49 3gut n ASN 115 Ca 0.10 -3.13 -0.36 0.00 0.87 0.00 0.00 54.58 52.06 3gut n ASN 115 Cb 0.05 -0.56 -0.07 0.00 -1.02 0.00 0.00 39.78 38.17 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 -2.97 4.24 -0.03 3.41 1.43 -1.26 -3.21 118.68 120.28 3gut s LEU 116 Ca 0.39 0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 53.78 3gut s LEU 116 Cb 0.38 -2.06 0.02 0.00 0.03 0.00 0.00 46.19 44.55 3gut s LEU 116 CO -0.07 0.29 0.08 -0.83 0.23 0.00 0.00 176.35 176.05 3gut s GLY 117 N -0.29 -0.03 -0.14 -3.19 0.00 -0.71 0.02 107.32 102.99 3gut s GLY 117 Ca 0.11 0.31 -0.07 0.00 0.00 0.00 0.00 44.72 45.06 3gut s GLY 117 CO 0.01 0.41 0.12 -0.42 0.00 0.00 0.00 173.10 173.22 3gut s ILE 118 N 0.41 5.34 -0.17 0.90 1.09 -1.26 0.13 121.20 127.64 3gut s ILE 118 Ca -0.03 0.15 -0.01 0.00 -1.10 0.00 0.00 60.65 59.66 3gut s ILE 118 Cb -0.04 -3.35 0.05 0.00 -1.06 0.00 0.00 42.46 38.05 3gut s ILE 118 CO -0.02 0.57 -0.03 -1.58 -0.10 0.00 0.00 174.94 173.79 3gut s GLN 119 N -0.64 1.18 0.34 2.79 0.74 0.17 -3.71 119.66 120.52 3gut s GLN 119 Ca 0.13 -0.46 -0.13 0.00 0.05 0.00 0.00 55.36 54.95 3gut s GLN 119 Cb -0.12 -1.96 -0.08 0.00 1.10 0.00 0.00 33.01 31.96 3gut s GLN 119 CO 0.02 -0.48 0.72 0.00 -0.55 0.00 0.00 175.29 175.01 3gut s VAL 121 N -2.10 3.63 0.01 0.00 -7.23 -1.26 -4.24 120.40 109.21 3gut s VAL 121 Ca 0.52 -0.88 -0.18 0.00 -1.81 0.00 0.00 61.98 59.63 3gut s VAL 121 Cb -0.10 -3.27 -0.06 0.00 0.56 0.00 0.00 36.38 33.51 3gut s VAL 121 CO 0.23 -0.13 0.51 -0.54 -0.31 0.00 0.00 175.10 174.86 3gut s LYS 122 N -4.34 4.14 0.59 4.82 1.02 -1.26 -4.92 119.74 119.78 3gut s LYS 122 Ca 0.49 0.59 0.31 0.00 0.02 0.00 0.00 55.97 57.38 3gut s LYS 122 Cb -0.10 -3.27 1.24 0.00 -0.52 0.00 0.00 37.83 35.19 3gut s LYS 122 CO 0.33 0.56 1.56 -0.22 -0.92 0.00 0.00 175.35 176.67 3gut h LYS 123 N 5.01 0.00 0.13 1.68 1.63 -2.00 0.37 116.57 123.39 3gut h LYS 123 Ca -0.49 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.31 3gut h LYS 123 Cb 1.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 3gut h LYS 123 CO 0.65 0.00 -0.06 -0.09 -3.45 0.00 0.00 179.45 176.50 3gut h ARG 124 N 0.00 -0.17 -0.87 1.90 2.43 -2.05 -3.22 114.38 112.40 3gut h ARG 124 Ca 0.46 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 3gut h ARG 124 Cb 2.41 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 32.00 3gut h ARG 124 CO -0.00 0.24 0.00 -0.25 -1.51 0.00 0.00 179.97 178.45 3gut n ASP 125 N -4.96 2.33 -0.02 -3.80 8.00 0.12 -4.52 116.55 113.71 3gut n ASP 125 Ca -0.09 -2.26 -0.03 0.00 0.71 0.00 0.00 54.79 53.13 3gut n ASP 125 Cb 0.25 -0.55 -0.02 0.00 -0.02 0.00 0.00 41.12 40.79 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 1.14 -0.33 -0.60 0.64 7.12 -1.43 -2.42 115.31 119.42 3gut h LEU 126 Ca 0.00 0.04 0.12 0.00 0.13 0.00 0.00 57.88 58.17 3gut h LEU 126 Cb 0.91 0.13 -0.11 0.00 -0.53 0.00 0.00 40.66 41.06 3gut h LEU 126 CO 0.14 -0.08 -0.15 -0.33 -0.13 0.00 0.00 178.44 177.89 3gut h GLU 127 N -0.08 0.00 -0.05 1.25 4.39 -1.86 0.29 114.58 118.52 3gut h GLU 127 Ca 0.01 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.73 3gut h GLU 127 Cb 0.11 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3gut h GLU 127 CO -0.10 0.00 0.06 0.37 -1.16 0.00 0.00 179.01 178.18 3gut h GLN 128 N 0.00 0.00 0.04 2.33 4.15 -1.86 -1.23 115.11 118.54 3gut h GLN 128 Ca 0.29 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.60 3gut h GLN 128 Cb 0.44 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.14 3gut h GLN 128 CO -0.62 0.00 -0.45 0.00 -1.93 0.00 0.00 178.83 175.83 3gut h ALA 129 N 1.93 -0.00 -0.71 3.38 0.00 0.05 -3.16 119.26 120.74 3gut h ALA 129 Ca 0.02 -0.56 0.02 0.00 0.00 0.00 0.00 54.91 54.40 3gut h ALA 129 Cb 0.14 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3gut h ALA 129 CO -0.00 0.21 0.45 0.82 0.00 0.00 0.00 179.25 180.73 3gut h ILE 130 N -0.47 1.12 -0.97 0.00 2.04 -0.43 -1.80 117.51 116.99 3gut h ILE 130 Ca -0.07 -0.31 0.13 0.00 1.00 0.00 0.00 64.86 65.62 3gut h ILE 130 Cb 1.26 0.15 -0.09 0.00 -0.74 0.00 0.00 36.82 37.40 3gut h ILE 130 CO 0.09 0.16 0.60 0.77 0.00 0.00 0.00 178.15 179.77 3gut h SER 131 N 0.89 0.85 0.34 1.72 4.64 -1.34 -0.24 113.55 120.41 3gut h SER 131 Ca 0.28 0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.59 3gut h SER 131 Cb -0.01 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 3gut h SER 131 CO -0.10 0.42 -0.31 -0.61 -0.87 0.00 0.00 176.83 175.37 3gut h GLN 132 N 0.91 0.00 -0.24 4.77 4.15 -1.29 0.20 115.11 123.60 3gut h GLN 132 Ca 0.50 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.82 3gut h GLN 132 Cb 0.56 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 3gut h GLN 132 CO -0.29 0.31 -0.27 0.00 -1.93 0.00 0.00 178.83 176.64 3gut h ARG 133 N 0.00 0.47 0.21 1.69 2.47 -0.83 -2.12 114.38 116.27 3gut h ARG 133 Ca -0.00 -0.19 -0.01 0.00 -1.26 0.00 0.00 59.98 58.52 3gut h ARG 133 Cb 0.56 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 3gut h ARG 133 CO 0.04 0.71 -0.10 0.82 0.56 0.00 0.00 179.97 182.00 3gut h ILE 134 N 0.41 0.00 -0.88 2.04 1.08 -0.95 0.52 117.51 119.74 3gut h ILE 134 Ca 0.06 -0.77 0.20 0.00 -0.39 0.00 0.00 64.86 63.96 3gut h ILE 134 Cb 0.70 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.38 3gut h ILE 134 CO 0.05 0.00 0.59 0.06 -0.69 0.00 0.00 178.15 178.16 3gut h GLN 135 N -1.04 0.39 -0.01 2.37 -0.00 -0.68 0.16 115.11 116.29 3gut h GLN 135 Ca -0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 3gut h GLN 135 Cb 0.21 -0.09 0.00 0.00 -0.00 0.00 0.00 27.48 27.60 3gut h GLN 135 CO 0.05 0.26 -0.06 -2.37 -0.00 0.00 0.00 178.83 176.70 3gut n THR 136 N -4.50 0.00 -2.94 1.86 5.66 -0.80 -4.99 114.28 108.57 3gut n THR 136 Ca 0.19 -0.23 -0.03 0.00 -3.05 0.00 0.00 64.05 60.93 3gut n THR 136 Cb 0.68 0.50 0.01 0.00 -1.55 0.00 0.00 70.33 69.97 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 -0.00 -7.00 -3.84 1.09 5.03 0.57 -5.01 115.26 106.10 3gut n ASN 137 Ca 0.17 -0.19 -0.30 0.00 0.87 0.00 0.00 54.58 55.13 3gut n ASN 137 Cb 0.36 -4.86 -0.15 0.00 -1.02 0.00 0.00 39.78 34.11 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 -3.00 4.28 -0.42 6.41 2.47 0.18 -4.96 114.94 119.90 3gut s ASN 138 Ca 0.09 -1.94 0.00 0.00 0.42 0.00 0.00 52.86 51.44 3gut s ASN 138 Cb -0.01 -1.18 0.23 0.00 -1.45 0.00 0.00 41.25 38.84 3gut s ASN 138 CO 0.67 -0.39 0.99 -3.20 -3.72 0.00 0.00 177.10 171.46 3gut n ASN 139 N 4.48 -2.24 -0.02 -4.21 5.15 -1.26 -4.64 115.26 112.52 3gut n ASN 139 Ca 0.01 -2.13 0.20 0.00 -0.60 0.00 0.00 54.58 52.06 3gut n ASN 139 Cb 0.41 1.22 0.68 0.00 -0.53 0.00 0.00 39.78 41.56 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 4.12 0.03 -0.45 1.20 0.13 -1.93 -1.39 132.00 133.71 3gut h PRO 140 Ca -0.07 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3gut h PRO 140 Cb 1.13 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3gut h PRO 140 CO -0.01 0.02 0.00 1.19 -0.23 0.00 0.00 178.00 178.97 3gut n PHE 141 N -4.38 1.35 -3.46 1.56 3.72 -1.26 -4.90 117.46 110.08 3gut n PHE 141 Ca 0.11 -0.73 -0.21 0.00 -0.05 0.00 0.00 57.45 56.57 3gut n PHE 141 Cb 0.62 -0.32 -0.04 0.00 -0.94 0.00 0.00 39.48 38.80 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 0.33 -1.61 -1.68 1.38 8.25 -0.52 -4.83 115.22 116.53 3gut n HIS 142 Ca 0.23 0.34 -0.45 0.00 -0.26 0.00 0.00 57.72 57.58 3gut n HIS 142 Cb 0.93 -1.53 -0.04 0.00 1.12 0.00 0.00 29.99 30.47 3gut n HIS 142 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3gut n VAL 143 N -3.29 0.36 -1.51 1.59 0.31 -1.26 -4.90 118.33 109.62 3gut n VAL 143 Ca 0.05 -0.06 -0.39 0.00 -0.01 0.00 0.00 64.34 63.92 3gut n VAL 143 Cb 0.48 -1.91 0.03 0.00 -0.91 0.00 0.00 33.84 31.53 3gut n VAL 143 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3gut n PRO 144 N 5.46 0.72 0.01 5.55 -0.02 -1.26 -4.76 135.00 140.70 3gut n PRO 144 Ca 0.19 0.27 0.07 0.00 -2.02 0.00 0.00 63.50 62.01 3gut n PRO 144 Cb 0.33 -1.79 0.48 0.00 -0.02 0.00 0.00 33.50 32.51 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 0.60 1.02 0.04 4.25 6.09 -1.98 0.16 117.51 127.69 3gut h ILE 145 Ca -0.45 -0.15 -0.00 0.00 -1.37 0.00 0.00 64.86 62.89 3gut h ILE 145 Cb 1.38 0.56 0.00 0.00 0.47 0.00 0.00 36.82 39.23 3gut h ILE 145 CO 0.50 0.08 -0.02 -0.33 -3.07 0.00 0.00 178.15 175.31 3gut h GLU 146 N 0.43 -0.05 0.00 2.19 5.08 -2.01 -3.15 114.58 117.07 3gut h GLU 146 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3gut h GLU 146 Cb 0.14 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3gut h GLU 146 CO -0.04 0.50 0.00 0.39 -1.00 0.00 0.00 179.01 178.86 3gut n GLU 147 N -4.84 0.62 0.04 2.33 4.71 -0.76 -3.06 120.64 119.69 3gut n GLU 147 Ca -0.09 0.00 0.13 0.00 -0.01 0.00 0.00 57.16 57.19 3gut n GLU 147 Cb 0.29 -1.42 0.33 0.00 -1.01 0.00 0.00 31.44 29.63 3gut n GLU 147 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3gut n GLN 148 N -0.92 0.16 -2.65 3.49 6.02 0.50 -4.83 117.38 119.15 3gut n GLN 148 Ca 0.12 0.08 -0.35 0.00 -0.01 0.00 0.00 57.00 56.84 3gut n GLN 148 Cb 0.06 -1.63 -0.05 0.00 1.02 0.00 0.00 30.24 29.64 3gut n GLN 148 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3gut s ARG 149 N -3.08 4.14 0.00 -1.09 0.52 -1.17 -4.98 118.95 113.28 3gut s ARG 149 Ca 0.10 1.34 0.00 0.00 -0.52 0.00 0.00 55.73 56.65 3gut s ARG 149 Cb 0.15 -2.35 0.00 0.00 0.52 0.00 0.00 34.95 33.27 3gut s ARG 149 CO 0.65 -0.13 0.00 0.41 0.02 0.00 0.00 175.30 176.25 3gut n GLY 150 N -0.06 2.37 3.81 -3.53 0.00 -1.26 -5.11 105.19 101.42 3gut n GLY 150 Ca 0.06 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.89 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 7.05 -0.12 1.61 1.11 -1.26 -5.07 116.67 119.99 3gut s ASP 151 Ca 0.00 1.70 -0.01 0.00 0.18 0.00 0.00 52.55 54.42 3gut s ASP 151 Cb 0.00 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.43 3gut s ASP 151 CO 0.00 -0.25 -0.07 -0.31 1.18 0.00 0.00 175.17 175.72 3gut s TYR 152 N -1.98 2.93 -0.32 4.23 1.51 -1.26 -5.09 117.35 117.38 3gut s TYR 152 Ca 0.57 -0.26 -0.26 0.00 -1.01 0.00 0.00 57.07 56.11 3gut s TYR 152 Cb -0.12 -1.83 0.01 0.00 -0.11 0.00 0.00 41.96 39.90 3gut s TYR 152 CO 0.17 0.06 0.94 0.34 -1.11 0.00 0.00 175.55 175.95 3gut s ASP 153 N -0.09 6.79 0.00 2.29 2.15 -1.26 -4.93 116.67 121.62 3gut s ASP 153 Ca 0.00 0.83 0.24 0.00 0.43 0.00 0.00 52.55 54.06 3gut s ASP 153 Cb -0.13 -2.48 0.86 0.00 -0.30 0.00 0.00 42.92 40.87 3gut s ASP 153 CO 0.03 -0.77 1.62 0.18 -0.17 0.00 0.00 175.17 176.07 3gut n LEU 154 N 6.58 1.67 -0.96 -1.34 4.77 -1.26 -4.05 117.00 122.41 3gut n LEU 154 Ca 0.08 -0.64 0.08 0.00 -0.03 0.00 0.00 56.01 55.50 3gut n LEU 154 Cb 0.48 -0.06 0.25 0.00 -2.33 0.00 0.00 43.42 41.75 3gut n LEU 154 CO 0.55 0.32 0.71 0.59 -1.33 0.00 0.00 177.39 178.23 3gut n ASN 155 N 0.31 3.81 -3.49 -1.43 5.03 -1.26 -4.92 115.26 113.32 3gut n ASN 155 Ca 0.17 -2.64 -0.13 0.00 0.87 0.00 0.00 54.58 52.85 3gut n ASN 155 Cb 0.35 -0.46 -0.04 0.00 -1.02 0.00 0.00 39.78 38.61 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 -2.16 -1.75 0.33 5.41 0.00 -1.26 0.07 121.76 122.40 3gut s ALA 156 Ca 0.38 1.04 -0.11 0.00 0.00 0.00 0.00 51.96 53.27 3gut s ALA 156 Cb 0.28 0.25 0.05 0.00 0.00 0.00 0.00 23.12 23.70 3gut s ALA 156 CO 0.13 -0.55 0.64 1.33 0.00 0.00 0.00 175.76 177.31 3gut n VAL 157 N 0.25 0.00 -3.98 0.00 0.24 -0.43 -4.57 118.33 109.83 3gut n VAL 157 Ca -0.15 -0.89 -0.10 0.00 -2.04 0.00 0.00 64.34 61.16 3gut n VAL 157 Cb 0.61 0.83 -0.12 0.00 -1.47 0.00 0.00 33.84 33.70 3gut n VAL 157 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3gut s ARG 158 N -2.13 0.30 -0.05 7.34 0.52 -1.21 0.97 118.95 124.69 3gut s ARG 158 Ca 0.14 -0.54 -0.16 0.00 -0.52 0.00 0.00 55.73 54.66 3gut s ARG 158 Cb -0.04 0.03 -0.05 0.00 0.52 0.00 0.00 34.95 35.41 3gut s ARG 158 CO 0.11 -0.03 0.43 -0.51 0.02 0.00 0.00 175.30 175.32 3gut s LEU 159 N -1.24 4.39 -0.27 2.53 1.43 -1.26 -2.32 118.68 121.94 3gut s LEU 159 Ca -0.13 0.89 0.02 0.00 -1.03 0.00 0.00 54.13 53.88 3gut s LEU 159 Cb -0.08 -2.62 0.06 0.00 0.03 0.00 0.00 46.19 43.57 3gut s LEU 159 CO -0.01 0.19 -0.09 0.00 0.23 0.00 0.00 176.35 176.68 3gut s PHE 161 N 1.14 3.20 -0.38 0.00 0.40 0.05 -1.30 117.98 121.10 3gut s PHE 161 Ca -0.08 0.65 -0.01 0.00 -0.60 0.00 0.00 56.93 56.89 3gut s PHE 161 Cb -0.20 -3.11 0.10 0.00 0.51 0.00 0.00 43.02 40.32 3gut s PHE 161 CO -0.04 -0.54 0.13 -0.65 0.70 0.00 0.00 175.22 174.82 3gut s GLN 162 N 2.78 1.91 0.04 0.44 -0.21 -0.54 -1.56 119.66 122.52 3gut s GLN 162 Ca 0.28 -1.77 -0.12 0.00 0.02 0.00 0.00 55.36 53.77 3gut s GLN 162 Cb -0.14 -3.43 -0.06 0.00 1.00 0.00 0.00 33.01 30.38 3gut s GLN 162 CO 0.13 -0.98 0.41 0.08 -2.12 0.00 0.00 175.29 172.81 3gut s VAL 163 N 1.09 5.06 -0.45 1.09 1.01 -1.26 -0.91 120.40 126.02 3gut s VAL 163 Ca 0.07 0.65 0.02 0.00 0.00 0.00 0.00 61.98 62.73 3gut s VAL 163 Cb -0.21 -3.68 0.14 0.00 0.00 0.00 0.00 36.38 32.63 3gut s VAL 163 CO -0.05 0.43 0.24 -0.89 0.00 0.00 0.00 175.10 174.83 3gut s THR 164 N -1.25 1.50 0.00 3.92 2.01 0.27 -1.96 115.64 120.13 3gut s THR 164 Ca 0.29 -2.63 0.00 0.00 0.31 0.00 0.00 61.69 59.66 3gut s THR 164 Cb -0.15 -2.05 0.00 0.00 0.01 0.00 0.00 72.50 70.31 3gut s THR 164 CO 0.16 -0.89 0.00 1.33 -0.69 0.00 0.00 174.62 174.53 3gut n VAL 165 N 3.50 0.00 -3.97 3.82 0.24 -0.20 -2.07 118.33 119.65 3gut n VAL 165 Ca 0.08 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.22 3gut n VAL 165 Cb 0.34 -0.70 -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 0.95 0.32 1.16 7.34 0.52 -1.26 0.92 118.95 128.89 3gut s ARG 166 Ca 0.00 0.02 -0.13 0.00 -0.52 0.00 0.00 55.73 55.10 3gut s ARG 166 Cb 0.00 -0.44 0.28 0.00 0.52 0.00 0.00 34.95 35.31 3gut s ARG 166 CO 0.00 -0.08 1.03 0.16 0.02 0.00 0.00 175.30 176.43 3gut s ASP 167 N 0.74 1.03 0.36 0.23 1.47 -1.12 -4.82 116.67 114.56 3gut s ASP 167 Ca -0.07 1.51 0.12 0.00 1.18 0.00 0.00 52.55 55.28 3gut s ASP 167 Cb -0.11 -2.28 0.92 0.00 -0.34 0.00 0.00 42.92 41.11 3gut s ASP 167 CO -0.01 -4.17 1.81 1.55 0.68 0.00 0.00 175.17 175.04 3gut h PRO 168 N -2.60 0.57 -0.26 2.11 0.13 -2.01 -2.26 132.00 127.68 3gut h PRO 168 Ca -0.61 -0.03 0.06 0.00 -0.87 0.00 0.00 66.00 64.55 3gut h PRO 168 Cb 1.33 -0.13 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 3gut h PRO 168 CO 0.51 0.38 -0.23 0.00 -0.23 0.00 0.00 178.00 178.42 3gut h ALA 169 N 1.62 -0.10 0.00 -0.56 0.00 -2.03 -3.46 119.26 114.73 3gut h ALA 169 Ca 0.53 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.52 3gut h ALA 169 Cb 1.06 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3gut h ALA 169 CO -0.28 -0.65 0.00 0.41 0.00 0.00 0.00 179.25 178.73 3gut n GLY 170 N -1.37 0.08 3.75 0.00 0.00 -0.85 -5.13 105.19 101.66 3gut n GLY 170 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 4.25 0.26 1.61 6.06 -1.26 -4.86 118.95 125.00 3gut s ARG 171 Ca 0.00 0.43 -0.16 0.00 -2.50 0.00 0.00 55.73 53.51 3gut s ARG 171 Cb 0.00 -3.38 -0.11 0.00 0.06 0.00 0.00 34.95 31.52 3gut s ARG 171 CO 0.00 0.29 0.11 -2.30 -2.50 0.00 0.00 175.30 170.91 3gut n PRO 172 N 3.20 0.00 -3.65 5.12 -0.02 -1.26 -2.79 135.00 135.60 3gut n PRO 172 Ca -0.09 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.14 3gut n PRO 172 Cb 0.52 -0.70 -0.17 0.00 -0.02 0.00 0.00 33.50 33.13 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 2.88 0.41 -0.33 2.45 2.96 0.26 -4.58 118.68 122.73 3gut s LEU 173 Ca 0.42 -0.46 -0.23 0.00 -0.22 0.00 0.00 54.13 53.64 3gut s LEU 173 Cb -0.48 -0.27 0.00 0.00 0.50 0.00 0.00 46.19 45.94 3gut s LEU 173 CO 0.43 -0.32 0.79 -0.22 -1.32 0.00 0.00 176.35 175.71 3gut s LEU 174 N 2.11 4.10 0.00 -0.68 2.96 -1.26 -1.04 118.68 124.86 3gut s LEU 174 Ca 0.02 0.56 -0.06 0.00 -0.22 0.00 0.00 54.13 54.43 3gut s LEU 174 Cb -0.15 -3.06 0.09 0.00 0.50 0.00 0.00 46.19 43.57 3gut s LEU 174 CO -0.07 -0.65 0.44 0.18 -1.32 0.00 0.00 176.35 174.93 3gut n LEU 175 N 6.28 0.00 -4.75 -0.68 4.77 -0.83 -5.01 117.00 116.78 3gut n LEU 175 Ca 0.03 -0.48 -0.40 0.00 -0.03 0.00 0.00 56.01 55.13 3gut n LEU 175 Cb 0.48 -0.36 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 3gut n LEU 175 CO 0.51 -1.05 0.50 0.28 -1.33 0.00 0.00 177.39 176.30 3gut s THR 176 N -1.92 4.62 0.20 -5.08 -1.32 -1.26 -4.78 115.64 106.10 3gut s THR 176 Ca 0.26 1.71 -0.31 0.00 -1.21 0.00 0.00 61.69 62.14 3gut s THR 176 Cb -0.01 -4.15 -0.10 0.00 -1.51 0.00 0.00 72.50 66.73 3gut s THR 176 CO 0.19 0.39 1.50 -2.16 -2.21 0.00 0.00 174.62 172.34 3gut s PRO 177 N -0.29 4.24 0.07 7.08 0.04 -1.26 -4.75 135.00 140.13 3gut s PRO 177 Ca 0.39 2.33 0.09 0.00 0.04 0.00 0.00 61.00 63.85 3gut s PRO 177 Cb -0.21 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 3gut s PRO 177 CO 0.25 -0.52 -0.23 0.54 0.04 0.00 0.00 177.00 177.08 3gut s VAL 178 N 0.61 2.45 0.34 -0.36 0.11 -0.60 -4.94 120.40 118.00 3gut s VAL 178 Ca 0.65 -1.41 0.08 0.00 -2.93 0.00 0.00 61.98 58.36 3gut s VAL 178 Cb -0.43 -2.02 -0.03 0.00 -1.53 0.00 0.00 36.38 32.37 3gut s VAL 178 CO 0.37 0.27 0.25 -0.76 -3.33 0.00 0.00 175.10 171.90 3gut s LEU 179 N -1.57 3.49 0.06 2.54 1.02 -1.26 -0.77 118.68 122.20 3gut s LEU 179 Ca 0.14 -0.59 0.09 0.00 0.02 0.00 0.00 54.13 53.79 3gut s LEU 179 Cb -0.10 -2.06 -0.03 0.00 0.02 0.00 0.00 46.19 44.02 3gut s LEU 179 CO 0.05 -0.34 -0.24 -0.94 0.02 0.00 0.00 176.35 174.90 3gut s SER 180 N -3.95 2.87 0.64 2.29 1.04 -0.98 -4.92 113.70 110.68 3gut s SER 180 Ca 0.40 -0.59 -0.17 0.00 0.48 0.00 0.00 55.95 56.06 3gut s SER 180 Cb -0.05 -0.23 -0.05 0.00 0.10 0.00 0.00 66.02 65.79 3gut s SER 180 CO 0.25 0.19 0.77 0.00 0.98 0.00 0.00 173.24 175.43 3gut n HIS 181 N 1.63 0.09 -1.63 5.02 1.44 -1.26 -4.30 115.22 116.20 3gut n HIS 181 Ca -0.17 0.41 -0.45 0.00 -2.01 0.00 0.00 57.72 55.50 3gut n HIS 181 Cb 0.53 -2.04 -0.02 0.00 0.12 0.00 0.00 29.99 28.58 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 -0.86 1.68 -3.71 -1.40 -0.04 -1.26 -4.74 135.00 124.67 3gut n PRO 182 Ca 0.13 0.59 -0.34 0.00 -0.04 0.00 0.00 63.50 63.84 3gut n PRO 182 Cb 0.48 -2.10 -0.05 0.00 -0.04 0.00 0.00 33.50 31.79 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 -0.71 5.23 -0.08 0.52 -1.09 0.27 -4.65 121.20 120.70 3gut s ILE 183 Ca 0.62 0.19 0.03 0.00 -2.23 0.00 0.00 60.65 59.25 3gut s ILE 183 Cb -0.68 -3.60 0.01 0.00 -1.58 0.00 0.00 42.46 36.61 3gut s ILE 183 CO 0.57 0.28 -0.16 -0.36 -1.23 0.00 0.00 174.94 174.04 3gut s PHE 184 N -1.39 1.78 -0.05 3.97 0.08 0.25 -1.32 117.98 121.29 3gut s PHE 184 Ca 0.32 -0.69 -0.30 0.00 0.12 0.00 0.00 56.93 56.38 3gut s PHE 184 Cb -0.13 -1.26 -0.07 0.00 -0.57 0.00 0.00 43.02 40.99 3gut s PHE 184 CO 0.19 -0.32 1.85 0.34 -0.10 0.00 0.00 175.22 177.18 3gut s ASP 185 N 0.59 6.40 0.00 1.36 2.15 0.11 -4.26 116.67 123.02 3gut s ASP 185 Ca -0.16 2.32 -0.00 0.00 0.43 0.00 0.00 52.55 55.14 3gut s ASP 185 Cb -0.16 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 39.90 3gut s ASP 185 CO 0.05 -1.14 0.74 -3.20 -0.17 0.00 0.00 175.17 171.46 3gut n ASN 186 N 7.98 1.27 0.00 -0.34 5.15 -1.18 -0.67 115.26 127.46 3gut n ASN 186 Ca 0.20 -1.47 0.00 0.00 -0.60 0.00 0.00 54.58 52.71 3gut n ASN 186 Cb 0.43 -0.29 0.00 0.00 -0.53 0.00 0.00 39.78 39.38 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 2.23 -0.15 -3.76 1.20 0.63 -1.26 -4.86 116.66 110.68 3gut n ARG 187 Ca 0.04 -0.24 -0.36 0.00 -0.92 0.00 0.00 57.85 56.36 3gut n ARG 187 Cb 0.15 -0.65 -0.11 0.00 0.45 0.00 0.00 32.46 32.30 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 -0.04 3.17 -0.45 5.13 0.00 0.15 -4.96 121.76 124.76 3gut s ALA 188 Ca 0.00 -2.53 0.10 0.00 0.00 0.00 0.00 51.96 49.53 3gut s ALA 188 Cb 0.00 -2.44 0.54 0.00 0.00 0.00 0.00 23.12 21.23 3gut s ALA 188 CO 0.00 -1.80 1.25 -2.30 0.00 0.00 0.00 175.76 172.90 3gut n PRO 189 N 4.61 0.07 0.00 0.00 -0.02 -1.26 -1.73 135.00 136.67 3gut n PRO 189 Ca -0.03 0.52 0.09 0.00 -2.02 0.00 0.00 63.50 62.07 3gut n PRO 189 Cb 0.41 -1.81 0.45 0.00 -0.02 0.00 0.00 33.50 32.53 3gut n PRO 189 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3gut n ASN 190 N -1.83 0.00 0.00 2.55 0.23 -1.26 -3.57 115.26 111.38 3gut n ASN 190 Ca -0.01 0.11 0.00 0.00 -0.53 0.00 0.00 54.58 54.15 3gut n ASN 190 Cb 0.11 -0.32 0.00 0.00 -2.08 0.00 0.00 39.78 37.49 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 -1.32 0.00 -0.56 5.53 -2.24 -0.70 -5.10 114.28 109.88 3gut n THR 191 Ca 0.08 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.80 3gut n THR 191 Cb 0.16 1.44 0.05 0.00 -2.10 0.00 0.00 70.33 69.87 3gut n THR 191 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gut n ALA 192 N 0.00 -0.67 -2.68 6.98 0.00 -1.21 -4.98 120.51 117.95 3gut n ALA 192 Ca 0.00 -0.31 -0.37 0.00 0.00 0.00 0.00 53.44 52.76 3gut n ALA 192 Cb 0.31 -0.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.65 3gut n ALA 192 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3gut s GLU 193 N -3.47 4.16 0.19 0.00 2.12 -1.26 -5.05 118.70 115.40 3gut s GLU 193 Ca 0.13 0.02 -0.30 0.00 0.36 0.00 0.00 54.97 55.18 3gut s GLU 193 Cb -0.01 -3.51 -0.09 0.00 0.26 0.00 0.00 34.13 30.78 3gut s GLU 193 CO 0.10 0.06 1.37 -0.51 -0.54 0.00 0.00 175.26 175.74 3gut s LEU 194 N 1.03 4.40 -0.19 2.70 1.02 -1.26 -4.90 118.68 121.47 3gut s LEU 194 Ca 0.15 2.46 -0.18 0.00 0.02 0.00 0.00 54.13 56.57 3gut s LEU 194 Cb -0.14 -3.61 0.05 0.00 0.02 0.00 0.00 46.19 42.51 3gut s LEU 194 CO 0.06 -0.61 0.51 -0.75 0.02 0.00 0.00 176.35 175.58 3gut s LYS 195 N 0.12 0.61 -0.13 1.70 2.20 -1.26 -4.49 119.74 118.48 3gut s LYS 195 Ca 0.59 0.68 -0.04 0.00 -0.36 0.00 0.00 55.97 56.85 3gut s LYS 195 Cb -0.38 0.29 -0.03 0.00 -1.51 0.00 0.00 37.83 36.20 3gut s LYS 195 CO 0.37 -0.08 -0.00 0.42 -0.36 0.00 0.00 175.35 175.70 3gut s ILE 196 N 0.21 4.22 -0.16 5.43 1.01 -1.26 -2.41 121.20 128.24 3gut s ILE 196 Ca -0.00 -0.26 0.07 0.00 0.00 0.00 0.00 60.65 60.45 3gut s ILE 196 Cb -0.04 -2.83 -0.14 0.00 0.01 0.00 0.00 42.46 39.46 3gut s ILE 196 CO 0.01 0.53 -0.06 0.00 0.00 0.00 0.00 174.94 175.42 3gut s ARG 198 N -2.34 1.98 -0.30 0.00 0.52 -1.14 -4.99 118.95 112.68 3gut s ARG 198 Ca -0.15 -1.80 -0.09 0.00 -0.52 0.00 0.00 55.73 53.17 3gut s ARG 198 Cb 0.05 0.45 0.19 0.00 0.52 0.00 0.00 34.95 36.16 3gut s ARG 198 CO 0.48 -0.83 0.96 0.08 0.02 0.00 0.00 175.30 176.02 3gut s VAL 199 N -2.91 -0.41 -1.66 3.52 1.01 -1.26 -3.18 120.40 115.51 3gut s VAL 199 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.28 3gut s VAL 199 Cb -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.82 3gut s VAL 199 CO 0.21 0.00 0.24 -0.46 0.00 0.00 0.00 175.10 175.09 3gut n ASN 200 N 5.24 0.00 -3.42 3.32 6.94 -0.93 -4.46 115.26 121.95 3gut n ASN 200 Ca 0.05 0.00 0.01 0.00 -0.02 0.00 0.00 54.58 54.62 3gut n ASN 200 Cb 0.56 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.94 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 -1.76 0.25 -0.18 -3.83 3.52 -1.26 -4.96 118.95 110.73 3gut s ARG 201 Ca 0.00 0.58 0.14 0.00 -0.13 0.00 0.00 55.73 56.32 3gut s ARG 201 Cb 0.00 0.29 0.38 0.00 -1.56 0.00 0.00 34.95 34.06 3gut s ARG 201 CO 0.00 -0.08 1.22 0.27 -0.81 0.00 0.00 175.30 175.90 3gut n ASN 202 N 4.57 2.09 -3.64 -2.12 2.04 -1.26 -4.95 115.26 111.98 3gut n ASN 202 Ca -0.11 -3.55 -0.01 0.00 -0.44 0.00 0.00 54.58 50.47 3gut n ASN 202 Cb 0.54 -0.50 -0.04 0.00 -2.53 0.00 0.00 39.78 37.25 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 -3.01 -1.14 0.00 0.53 0.15 -1.26 -0.67 113.70 108.31 3gut s SER 203 Ca 0.36 1.56 0.00 0.00 0.70 0.00 0.00 55.95 58.57 3gut s SER 203 Cb 0.34 2.30 0.00 0.00 -1.71 0.00 0.00 66.02 66.94 3gut s SER 203 CO -0.02 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.81 3gut n GLY 204 N 5.44 4.65 3.80 9.45 0.00 -0.91 -4.96 105.19 122.66 3gut n GLY 204 Ca -0.12 -1.66 -0.34 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.24 6.52 0.07 1.61 0.15 -1.26 0.85 113.70 121.39 3gut s SER 205 Ca 0.00 1.86 0.25 0.00 0.70 0.00 0.00 55.95 58.76 3gut s SER 205 Cb 0.00 -2.55 0.99 0.00 -1.71 0.00 0.00 66.02 62.75 3gut s SER 205 CO 0.00 -0.66 1.78 0.00 1.20 0.00 0.00 173.24 175.56 3gut n LEU 207 N -1.74 0.46 0.00 0.00 4.77 -1.26 -0.83 117.00 118.40 3gut n LEU 207 Ca 0.05 -0.09 0.12 0.00 -0.03 0.00 0.00 56.01 56.07 3gut n LEU 207 Cb 0.31 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 3gut n LEU 207 CO 0.24 0.08 -0.17 0.61 -1.33 0.00 0.00 177.39 176.82 3gut n GLY 208 N 1.13 -1.61 0.40 -0.72 0.00 -0.84 -4.37 105.19 99.19 3gut n GLY 208 Ca 0.20 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.70 0.89 3.79 -0.02 0.00 0.13 -4.86 105.19 102.42 3gut n GLY 209 Ca 0.01 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.10 7.16 -0.06 1.61 1.01 -1.26 -4.73 116.67 118.30 3gut s ASP 210 Ca 0.00 1.37 -0.29 0.00 0.71 0.00 0.00 52.55 54.35 3gut s ASP 210 Cb 0.00 -2.41 -0.02 0.00 1.01 0.00 0.00 42.92 41.50 3gut s ASP 210 CO 0.00 0.23 0.96 -0.70 0.21 0.00 0.00 175.17 175.87 3gut s GLU 211 N -0.99 4.47 -0.11 8.23 2.12 -1.26 -1.04 118.70 130.12 3gut s GLU 211 Ca 0.32 1.34 0.02 0.00 0.36 0.00 0.00 54.97 57.01 3gut s GLU 211 Cb -0.20 -3.50 0.01 0.00 0.26 0.00 0.00 34.13 30.69 3gut s GLU 211 CO 0.21 -0.17 -0.18 0.42 -0.54 0.00 0.00 175.26 175.00 3gut s ILE 212 N 1.50 1.66 -0.31 -3.70 -1.09 0.28 -4.97 121.20 114.57 3gut s ILE 212 Ca 0.48 -0.75 -0.14 0.00 -2.23 0.00 0.00 60.65 58.01 3gut s ILE 212 Cb -0.19 -1.48 -0.03 0.00 -1.58 0.00 0.00 42.46 39.18 3gut s ILE 212 CO 0.22 0.47 0.33 -0.36 -1.23 0.00 0.00 174.94 174.37 3gut s PHE 213 N 0.78 3.22 -0.13 3.97 0.40 -1.26 -1.87 117.98 123.09 3gut s PHE 213 Ca -0.10 0.15 0.01 0.00 -0.60 0.00 0.00 56.93 56.39 3gut s PHE 213 Cb -0.16 -2.58 0.02 0.00 0.51 0.00 0.00 43.02 40.81 3gut s PHE 213 CO 0.01 -0.31 -0.16 -1.17 0.70 0.00 0.00 175.22 174.29 3gut s LEU 214 N 1.99 1.79 0.02 -0.37 0.20 -0.08 -2.18 118.68 120.05 3gut s LEU 214 Ca 0.12 -0.49 -0.05 0.00 0.69 0.00 0.00 54.13 54.40 3gut s LEU 214 Cb -0.16 -1.20 -0.05 0.00 -0.43 0.00 0.00 46.19 44.36 3gut s LEU 214 CO 0.11 0.00 0.26 -0.76 -0.29 0.00 0.00 176.35 175.67 3gut s LEU 215 N 1.14 4.36 0.00 -0.68 1.43 -1.19 0.08 118.68 123.81 3gut s LEU 215 Ca -0.02 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.58 3gut s LEU 215 Cb -0.14 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.33 3gut s LEU 215 CO -0.05 0.23 0.00 0.00 0.23 0.00 0.00 176.35 176.76 3gut s ASP 217 N 1.29 6.17 -0.34 0.00 1.11 -1.01 -4.75 116.67 119.13 3gut s ASP 217 Ca 0.00 0.02 -0.42 0.00 0.18 0.00 0.00 52.55 52.34 3gut s ASP 217 Cb 0.00 -1.78 -0.17 0.00 1.07 0.00 0.00 42.92 42.04 3gut s ASP 217 CO 0.00 -0.05 1.73 0.29 1.18 0.00 0.00 175.17 178.32 3gut n LYS 218 N -1.23 0.86 -4.45 8.23 5.02 -1.22 -4.67 118.16 120.70 3gut n LYS 218 Ca -0.09 0.31 -0.22 0.00 -2.02 0.00 0.00 58.31 56.30 3gut n LYS 218 Cb 0.57 -1.96 -0.09 0.00 -0.02 0.00 0.00 35.03 33.53 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 3.54 0.77 -0.22 -0.18 -7.23 -0.89 -4.95 120.40 111.24 3gut s VAL 219 Ca 1.01 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 59.12 3gut s VAL 219 Cb -1.18 -2.56 -0.02 0.00 0.56 0.00 0.00 36.38 33.18 3gut s VAL 219 CO 0.70 0.00 0.01 -1.10 -0.31 0.00 0.00 175.10 174.40 3gut s GLN 220 N -3.83 3.59 0.60 4.82 -1.52 -1.26 -4.60 119.66 117.46 3gut s GLN 220 Ca 0.31 -0.52 0.29 0.00 -1.95 0.00 0.00 55.36 53.49 3gut s GLN 220 Cb 0.06 -3.14 1.64 0.00 -0.22 0.00 0.00 33.01 31.35 3gut s GLN 220 CO 0.15 -0.08 2.05 1.57 -0.25 0.00 0.00 175.29 178.73 3gut h LYS 221 N 7.81 0.00 0.00 2.91 2.10 -1.92 -1.49 116.57 125.97 3gut h LYS 221 Ca -0.38 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.13 3gut h LYS 221 Cb 1.17 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.48 3gut h LYS 221 CO 0.60 0.00 -1.05 0.93 -2.00 0.00 0.00 179.45 177.93 3gut h GLU 222 N 0.00 0.00 -2.40 0.07 3.07 -1.94 -3.40 114.58 109.98 3gut h GLU 222 Ca 0.11 0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 58.32 3gut h GLU 222 Cb 0.65 0.00 -0.39 0.00 -0.84 0.00 0.00 28.75 28.16 3gut h GLU 222 CO -0.00 0.41 -0.33 -3.47 -1.40 0.00 0.00 179.01 174.22 3gut n ASP 223 N -3.05 4.22 -3.63 1.42 2.03 -0.56 -5.02 116.55 111.97 3gut n ASP 223 Ca -0.05 -3.42 -0.07 0.00 0.52 0.00 0.00 54.79 51.77 3gut n ASP 223 Cb 0.81 -0.79 -0.07 0.00 -0.72 0.00 0.00 41.12 40.35 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 -2.46 0.00 0.06 5.18 1.10 -1.24 -4.50 121.20 119.34 3gut s ILE 224 Ca 0.37 0.00 -0.22 0.00 -0.51 0.00 0.00 60.65 60.29 3gut s ILE 224 Cb 0.11 -1.00 0.05 0.00 0.15 0.00 0.00 42.46 41.78 3gut s ILE 224 CO -0.00 0.00 0.52 -1.83 -2.11 0.00 0.00 174.94 171.52 3gut s GLU 225 N -0.06 1.06 -0.37 3.50 -1.05 0.07 -4.97 118.70 116.87 3gut s GLU 225 Ca 0.04 -0.29 -0.21 0.00 -0.15 0.00 0.00 54.97 54.36 3gut s GLU 225 Cb -0.04 0.48 0.01 0.00 -0.44 0.00 0.00 34.13 34.14 3gut s GLU 225 CO -0.08 -0.39 0.69 0.08 0.95 0.00 0.00 175.26 176.51 3gut s VAL 226 N -2.65 4.82 -0.47 1.83 1.01 -1.26 0.84 120.40 124.51 3gut s VAL 226 Ca -0.04 0.63 -0.14 0.00 0.00 0.00 0.00 61.98 62.42 3gut s VAL 226 Cb -0.00 -4.14 0.08 0.00 0.00 0.00 0.00 36.38 32.32 3gut s VAL 226 CO -0.03 -0.40 0.38 -0.47 0.00 0.00 0.00 175.10 174.58 3gut s TYR 227 N 2.88 3.27 -0.53 5.22 5.04 0.20 -1.28 117.35 132.14 3gut s TYR 227 Ca 0.27 -1.15 -0.25 0.00 -2.44 0.00 0.00 57.07 53.50 3gut s TYR 227 Cb -0.14 -3.24 0.04 0.00 0.35 0.00 0.00 41.96 38.97 3gut s TYR 227 CO 0.16 -0.85 0.96 -0.06 -1.34 0.00 0.00 175.55 174.42 3gut s PHE 228 N 1.58 2.81 0.06 4.97 0.40 0.30 -1.43 117.98 126.67 3gut s PHE 228 Ca 0.04 0.11 0.03 0.00 -0.60 0.00 0.00 56.93 56.51 3gut s PHE 228 Cb -0.25 -4.09 -0.04 0.00 0.51 0.00 0.00 43.02 39.15 3gut s PHE 228 CO 0.05 -1.32 0.03 -0.08 0.70 0.00 0.00 175.22 174.61 3gut s THR 229 N 3.99 4.28 0.11 0.64 -1.32 0.73 -0.64 115.64 123.43 3gut s THR 229 Ca 0.33 -0.79 0.00 0.00 -1.21 0.00 0.00 61.69 60.02 3gut s THR 229 Cb -0.12 -3.01 -0.00 0.00 -1.51 0.00 0.00 72.50 67.86 3gut s THR 229 CO 0.21 0.19 0.14 0.61 -2.21 0.00 0.00 174.62 173.57 3gut n GLY 230 N 0.73 3.02 3.55 6.08 0.00 -0.87 -0.46 105.19 117.25 3gut n GLY 230 Ca -0.11 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 43.99 3gut n GLY 230 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gut s PRO 231 N -2.31 3.03 -0.04 1.61 0.04 -1.26 -2.99 135.00 133.08 3gut s PRO 231 Ca 0.11 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.01 3gut s PRO 231 Cb -0.00 -4.51 0.00 0.00 0.04 0.00 0.00 34.50 30.03 3gut s PRO 231 CO 0.08 -2.45 0.00 0.41 0.04 0.00 0.00 177.00 175.08 3gut n GLY 232 N 5.85 0.47 3.38 0.56 0.00 -1.26 -5.01 105.19 109.19 3gut n GLY 232 Ca 0.16 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.96 1.90 -0.30 1.61 -0.00 -1.16 -5.14 118.94 113.88 3gut s TRP 233 Ca 0.00 -0.49 -0.15 0.00 -0.00 0.00 0.00 56.10 55.46 3gut s TRP 233 Cb 0.00 -0.87 0.17 0.00 -0.00 0.00 0.00 33.47 32.77 3gut s TRP 233 CO 0.00 0.47 1.02 -2.00 -0.00 0.00 0.00 176.95 176.44 3gut s GLU 234 N -3.51 0.26 0.22 5.86 2.12 -1.26 -2.06 118.70 120.33 3gut s GLU 234 Ca 0.24 0.65 0.00 0.00 0.36 0.00 0.00 54.97 56.22 3gut s GLU 234 Cb -0.03 0.39 -0.04 0.00 0.26 0.00 0.00 34.13 34.72 3gut s GLU 234 CO 0.09 -0.10 0.15 0.00 -0.54 0.00 0.00 175.26 174.87 3gut s ALA 235 N 2.44 1.25 0.11 6.30 0.00 0.18 -5.00 121.76 127.04 3gut s ALA 235 Ca -0.02 -1.74 0.06 0.00 0.00 0.00 0.00 51.96 50.26 3gut s ALA 235 Cb -0.06 1.40 -0.04 0.00 0.00 0.00 0.00 23.12 24.43 3gut s ALA 235 CO -0.17 -0.60 -0.16 1.03 0.00 0.00 0.00 175.76 175.86 3gut s ARG 236 N -4.06 1.01 0.60 0.00 0.52 -1.26 0.11 118.95 115.88 3gut s ARG 236 Ca 0.39 -1.17 -0.10 0.00 -0.52 0.00 0.00 55.73 54.33 3gut s ARG 236 Cb 0.06 -1.00 -0.04 0.00 0.52 0.00 0.00 34.95 34.50 3gut s ARG 236 CO 0.14 0.21 1.00 0.20 0.02 0.00 0.00 175.30 176.87 3gut s GLY 237 N -2.20 1.64 -0.37 -3.53 0.00 -0.40 -4.01 107.32 98.44 3gut s GLY 237 Ca 0.06 -0.16 -0.11 0.00 0.00 0.00 0.00 44.72 44.51 3gut s GLY 237 CO 0.03 0.10 0.21 -0.56 0.00 0.00 0.00 173.10 172.88 3gut s SER 238 N -4.18 5.74 -0.22 1.64 0.01 0.22 -4.75 113.70 112.15 3gut s SER 238 Ca 0.54 -0.92 -0.21 0.00 1.31 0.00 0.00 55.95 56.67 3gut s SER 238 Cb -0.11 -2.03 0.06 0.00 0.21 0.00 0.00 66.02 64.15 3gut s SER 238 CO 0.53 -0.36 0.59 0.72 0.41 0.00 0.00 173.24 175.13 3gut s PHE 239 N 1.57 -0.65 0.45 2.43 -0.71 -1.26 -1.37 117.98 118.44 3gut s PHE 239 Ca 0.03 1.57 -0.11 0.00 -1.04 0.00 0.00 56.93 57.37 3gut s PHE 239 Cb -0.19 0.22 -0.06 0.00 -1.21 0.00 0.00 43.02 41.78 3gut s PHE 239 CO 0.07 -0.32 0.84 -1.12 -1.34 0.00 0.00 175.22 173.35 3gut s SER 240 N 0.28 6.50 0.61 1.98 0.01 -1.26 -4.95 113.70 116.86 3gut s SER 240 Ca -0.00 1.23 0.30 0.00 1.31 0.00 0.00 55.95 58.78 3gut s SER 240 Cb -0.04 -2.37 1.66 0.00 0.21 0.00 0.00 66.02 65.48 3gut s SER 240 CO 0.01 -0.49 2.04 1.56 0.41 0.00 0.00 173.24 176.78 3gut h GLN 241 N 0.98 0.00 -0.00 12.44 4.20 -1.99 0.36 115.11 131.09 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 0.63 0.00 -0.00 0.00 -0.67 0.00 0.00 178.83 178.79 3gut n ALA 242 N -2.26 2.66 1.36 3.87 0.00 -1.26 -2.77 120.51 122.11 3gut n ALA 242 Ca 0.02 -0.25 0.13 0.00 0.00 0.00 0.00 53.44 53.35 3gut n ALA 242 Cb 0.40 -1.44 0.41 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.76 1.68 -4.50 0.00 8.00 0.13 -4.64 116.55 116.46 3gut n ASP 243 Ca 0.23 -1.48 -0.43 0.00 0.71 0.00 0.00 54.79 53.82 3gut n ASP 243 Cb 0.17 0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.29 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 -2.10 4.42 -0.47 2.53 1.01 -1.12 -2.34 120.40 122.33 3gut s VAL 244 Ca 0.33 -1.47 -0.27 0.00 0.00 0.00 0.00 61.98 60.57 3gut s VAL 244 Cb 0.20 -4.94 -0.03 0.00 0.00 0.00 0.00 36.38 31.62 3gut s VAL 244 CO 0.37 -1.73 1.92 -2.28 0.00 0.00 0.00 175.10 173.37 3gut s HIS 245 N 3.51 1.63 -1.62 5.22 2.46 0.15 -3.89 115.29 122.76 3gut s HIS 245 Ca 0.41 0.81 -0.09 0.00 0.47 0.00 0.00 55.06 56.66 3gut s HIS 245 Cb -0.02 -4.04 0.09 0.00 -0.13 0.00 0.00 32.58 28.48 3gut s HIS 245 CO -0.07 -2.65 0.42 0.54 -2.47 0.00 0.00 174.74 170.51 3gut n ARG 246 N 8.84 -2.04 -1.69 2.88 3.00 -1.26 -1.23 116.66 125.16 3gut n ARG 246 Ca 0.24 0.25 -0.13 0.00 -0.01 0.00 0.00 57.85 58.19 3gut n ARG 246 Cb 0.50 -4.42 -0.04 0.00 0.00 0.00 0.00 32.46 28.50 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 -4.39 -1.54 -0.08 5.56 6.02 -1.25 -4.75 117.38 116.94 3gut n GLN 247 Ca -0.14 0.74 0.00 0.00 -0.01 0.00 0.00 57.00 57.59 3gut n GLN 247 Cb 0.60 -5.09 0.00 0.00 1.02 0.00 0.00 30.24 26.77 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 -2.33 0.00 -3.64 5.09 0.24 -0.37 -2.10 118.33 115.22 3gut n VAL 248 Ca -0.14 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.11 3gut n VAL 248 Cb 0.49 0.74 -0.06 0.00 -1.47 0.00 0.00 33.84 33.53 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 0.00 -1.90 -0.11 2.33 0.00 -1.11 -1.84 121.76 119.13 3gut s ALA 249 Ca 0.00 2.38 0.02 0.00 0.00 0.00 0.00 51.96 54.36 3gut s ALA 249 Cb 0.00 -1.51 -0.01 0.00 0.00 0.00 0.00 23.12 21.60 3gut s ALA 249 CO 0.00 -0.52 -0.17 0.42 0.00 0.00 0.00 175.76 175.49 3gut s ILE 250 N 1.97 2.72 -0.16 0.00 -1.09 0.11 0.33 121.20 125.08 3gut s ILE 250 Ca -0.09 -0.79 -0.01 0.00 -2.23 0.00 0.00 60.65 57.52 3gut s ILE 250 Cb -0.07 -2.10 -0.01 0.00 -1.58 0.00 0.00 42.46 38.70 3gut s ILE 250 CO -0.19 0.55 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.26 3gut s VAL 251 N 0.16 3.10 0.26 2.92 1.01 -0.99 -0.90 120.40 125.97 3gut s VAL 251 Ca -0.09 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 3gut s VAL 251 Cb -0.16 -2.34 -0.00 0.00 0.00 0.00 0.00 36.38 33.88 3gut s VAL 251 CO 0.06 0.50 0.47 0.72 0.00 0.00 0.00 175.10 176.84 3gut s PHE 252 N 0.72 0.46 -0.08 5.22 -0.71 -0.78 -4.72 117.98 118.09 3gut s PHE 252 Ca -0.05 -0.81 0.02 0.00 -1.04 0.00 0.00 56.93 55.04 3gut s PHE 252 Cb -0.15 0.14 -0.02 0.00 -1.21 0.00 0.00 43.02 41.77 3gut s PHE 252 CO 0.02 -1.00 -0.12 1.03 -1.34 0.00 0.00 175.22 173.81 3gut s ARG 253 N -3.90 2.83 0.46 1.99 0.52 -0.47 0.10 118.95 120.47 3gut s ARG 253 Ca 0.24 -0.65 -0.24 0.00 -0.52 0.00 0.00 55.73 54.56 3gut s ARG 253 Cb -0.00 -2.52 -0.07 0.00 0.52 0.00 0.00 34.95 32.88 3gut s ARG 253 CO 0.10 0.52 1.28 0.95 0.02 0.00 0.00 175.30 178.17 3gut s THR 254 N -0.44 2.61 0.45 0.02 -4.23 -0.21 0.69 115.64 114.52 3gut s THR 254 Ca 0.06 0.50 -0.16 0.00 -1.18 0.00 0.00 61.69 60.91 3gut s THR 254 Cb -0.12 -3.27 -0.08 0.00 1.34 0.00 0.00 72.50 70.36 3gut s THR 254 CO 0.02 0.03 0.90 -2.16 -0.54 0.00 0.00 174.62 172.87 3gut s PRO 255 N -2.53 3.98 0.27 3.99 0.04 -1.26 0.21 135.00 139.70 3gut s PRO 255 Ca 0.62 0.84 -0.29 0.00 0.04 0.00 0.00 61.00 62.21 3gut s PRO 255 Cb -0.36 -2.24 -0.09 0.00 0.04 0.00 0.00 34.50 31.84 3gut s PRO 255 CO 0.45 -0.11 1.23 -2.14 0.04 0.00 0.00 177.00 176.46 3gut s PRO 256 N -3.70 4.47 0.94 0.56 0.02 -1.26 -4.28 135.00 131.76 3gut s PRO 256 Ca 0.57 2.01 -0.12 0.00 0.02 0.00 0.00 61.00 63.48 3gut s PRO 256 Cb -0.10 -3.16 0.16 0.00 0.02 0.00 0.00 34.50 31.42 3gut s PRO 256 CO 0.26 -0.06 1.09 -0.47 -0.33 0.00 0.00 177.00 177.49 3gut s TYR 257 N -0.73 2.23 0.08 6.54 5.04 -0.01 -4.91 117.35 125.59 3gut s TYR 257 Ca 0.50 1.12 -0.29 0.00 -2.44 0.00 0.00 57.07 55.95 3gut s TYR 257 Cb -0.36 -3.21 -0.13 0.00 0.35 0.00 0.00 41.96 38.60 3gut s TYR 257 CO 0.44 -2.61 1.46 0.00 -1.34 0.00 0.00 175.55 173.49 3gut h ALA 258 N -1.70 -1.02 -1.82 3.97 0.00 -1.95 -3.38 119.26 113.36 3gut h ALA 258 Ca -0.52 -0.13 -0.64 0.00 0.00 0.00 0.00 54.91 53.62 3gut h ALA 258 Cb 1.31 0.72 -0.15 0.00 0.00 0.00 0.00 17.79 19.67 3gut h ALA 258 CO 0.56 -1.08 0.43 0.34 0.00 0.00 0.00 179.25 179.50 3gut s ASP 259 N -4.09 6.25 0.00 0.00 2.15 -1.26 -4.93 116.67 114.80 3gut s ASP 259 Ca -0.14 -0.74 0.27 0.00 0.43 0.00 0.00 52.55 52.37 3gut s ASP 259 Cb 0.04 -2.39 1.59 0.00 -0.30 0.00 0.00 42.92 41.86 3gut s ASP 259 CO 0.49 -1.22 1.97 -0.81 -0.17 0.00 0.00 175.17 175.43 3gut n PRO 260 N 7.22 0.78 -0.12 4.34 -0.04 -1.26 -3.05 135.00 142.88 3gut n PRO 260 Ca -0.02 0.01 0.05 0.00 -0.04 0.00 0.00 63.50 63.49 3gut n PRO 260 Cb 0.46 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.05 2.57 -2.33 3.54 7.64 -1.26 -4.84 113.62 117.89 3gut n SER 261 Ca 0.19 -2.38 -0.25 0.00 1.01 0.00 0.00 58.87 57.44 3gut n SER 261 Cb 0.11 -0.23 -0.02 0.00 -1.01 0.00 0.00 64.21 63.07 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 -0.46 -0.69 -0.06 -3.43 7.94 -1.17 -4.87 117.00 114.26 3gut n LEU 262 Ca 0.09 0.60 -0.09 0.00 -1.11 0.00 0.00 56.01 55.50 3gut n LEU 262 Cb 0.47 -0.50 -0.06 0.00 0.53 0.00 0.00 43.42 43.86 3gut n LEU 262 CO 0.04 -1.61 -0.92 1.67 -1.11 0.00 0.00 177.39 175.47 3gut n GLN 263 N 0.54 0.32 -4.56 1.96 -0.06 -1.26 -4.48 117.38 109.83 3gut n GLN 263 Ca 0.09 0.08 -0.31 0.00 -2.00 0.00 0.00 57.00 54.86 3gut n GLN 263 Cb 0.14 -1.24 -0.11 0.00 -4.06 0.00 0.00 30.24 24.96 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 -2.25 2.81 0.51 1.69 0.00 -1.26 -4.72 121.76 118.53 3gut s ALA 264 Ca -0.17 -1.10 -0.23 0.00 0.00 0.00 0.00 51.96 50.46 3gut s ALA 264 Cb 0.05 -0.94 -0.07 0.00 0.00 0.00 0.00 23.12 22.16 3gut s ALA 264 CO 0.29 0.59 1.26 -2.30 0.00 0.00 0.00 175.76 175.61 3gut n PRO 265 N 1.56 1.65 -4.05 0.00 -0.02 -1.26 -4.79 135.00 128.09 3gut n PRO 265 Ca -0.16 0.60 -0.23 0.00 -2.02 0.00 0.00 63.50 61.69 3gut n PRO 265 Cb 0.52 -2.44 -0.17 0.00 -0.02 0.00 0.00 33.50 31.40 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 -1.29 0.73 0.26 -1.45 0.11 -1.06 -5.00 120.40 112.70 3gut s VAL 266 Ca 0.68 -0.16 -0.29 0.00 -2.93 0.00 0.00 61.98 59.28 3gut s VAL 266 Cb -0.45 -0.77 -0.09 0.00 -1.53 0.00 0.00 36.38 33.54 3gut s VAL 266 CO 0.52 0.30 1.19 -0.13 -3.33 0.00 0.00 175.10 173.65 3gut s ARG 267 N 1.38 4.52 0.08 1.54 1.81 -1.26 -1.95 118.95 125.06 3gut s ARG 267 Ca -0.03 1.94 0.02 0.00 -1.72 0.00 0.00 55.73 55.94 3gut s ARG 267 Cb -0.13 -3.17 -0.04 0.00 -0.45 0.00 0.00 34.95 31.15 3gut s ARG 267 CO -0.03 0.01 -0.07 0.08 -0.68 0.00 0.00 175.30 174.61 3gut s VAL 268 N -0.77 0.65 -0.26 3.52 1.01 0.39 -4.95 120.40 119.98 3gut s VAL 268 Ca 0.49 -1.72 -0.16 0.00 0.00 0.00 0.00 61.98 60.58 3gut s VAL 268 Cb -0.34 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 3gut s VAL 268 CO 0.42 -0.75 0.44 -0.55 0.00 0.00 0.00 175.10 174.67 3gut s SER 269 N -2.67 6.35 -0.09 3.32 0.15 0.39 -1.45 113.70 119.70 3gut s SER 269 Ca 0.06 0.41 0.03 0.00 0.70 0.00 0.00 55.95 57.15 3gut s SER 269 Cb 0.01 -2.25 -0.01 0.00 -1.71 0.00 0.00 66.02 62.06 3gut s SER 269 CO -0.04 -0.23 -0.18 -0.32 1.20 0.00 0.00 173.24 173.67 3gut s MET 270 N 2.18 2.91 0.05 5.44 0.00 -1.16 0.26 119.30 128.98 3gut s MET 270 Ca 0.18 -0.77 -0.27 0.00 0.00 0.00 0.00 55.69 54.84 3gut s MET 270 Cb -0.16 -2.41 0.09 0.00 0.00 0.00 0.00 34.83 32.35 3gut s MET 270 CO 0.09 0.36 0.76 1.14 0.00 0.00 0.00 175.02 177.37 3gut s GLN 271 N -0.06 1.02 0.11 4.11 -2.07 -0.51 -0.59 119.66 121.67 3gut s GLN 271 Ca -0.04 -0.29 -0.30 0.00 -1.82 0.00 0.00 55.36 52.91 3gut s GLN 271 Cb -0.14 0.47 -0.06 0.00 -1.09 0.00 0.00 33.01 32.19 3gut s GLN 271 CO 0.04 -0.43 1.07 -0.51 -1.32 0.00 0.00 175.29 174.14 3gut s LEU 272 N -2.37 4.45 -0.08 2.60 1.02 -1.26 0.60 118.68 123.63 3gut s LEU 272 Ca 0.01 1.93 0.00 0.00 0.02 0.00 0.00 54.13 56.09 3gut s LEU 272 Cb -0.01 -3.59 0.02 0.00 0.02 0.00 0.00 46.19 42.63 3gut s LEU 272 CO -0.08 -0.24 -0.07 -0.60 0.02 0.00 0.00 176.35 175.37 3gut s ARG 273 N 0.26 1.36 -0.58 1.70 3.52 0.25 -1.77 118.95 123.68 3gut s ARG 273 Ca 0.51 -0.23 -0.15 0.00 -0.13 0.00 0.00 55.73 55.73 3gut s ARG 273 Cb -0.26 -1.35 0.14 0.00 -1.56 0.00 0.00 34.95 31.92 3gut s ARG 273 CO 0.31 -0.16 0.54 0.50 -0.81 0.00 0.00 175.30 175.68 3gut s ARG 274 N 1.33 3.06 0.11 5.12 3.52 -0.91 -0.75 118.95 130.44 3gut s ARG 274 Ca -0.03 -1.84 -0.22 0.00 -0.13 0.00 0.00 55.73 53.52 3gut s ARG 274 Cb -0.14 -4.30 -0.05 0.00 -1.56 0.00 0.00 34.95 28.90 3gut s ARG 274 CO -0.03 -1.32 1.17 -2.30 -0.81 0.00 0.00 175.30 172.01 3gut n PRO 275 N 5.03 -0.31 -0.41 5.12 -0.02 -1.26 -1.61 135.00 141.53 3gut n PRO 275 Ca -0.09 1.15 0.39 0.00 -2.02 0.00 0.00 63.50 62.92 3gut n PRO 275 Cb 0.41 -1.69 0.63 0.00 -0.02 0.00 0.00 33.50 32.83 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 0.00 0.00 2.55 4.64 -1.94 -2.49 113.55 116.31 3gut h SER 276 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3gut h SER 276 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3gut h SER 276 CO -0.66 0.00 -0.01 -0.90 -0.87 0.00 0.00 176.83 174.39 3gut n ASP 277 N -3.60 0.05 0.00 4.97 5.75 -0.64 -5.01 116.55 118.07 3gut n ASP 277 Ca 0.32 -1.04 0.00 0.00 -0.01 0.00 0.00 54.79 54.05 3gut n ASP 277 Cb 1.68 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.77 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 -0.01 -1.66 -2.07 0.11 1.74 -0.68 -4.95 116.66 109.13 3gut n ARG 278 Ca 0.00 0.42 -0.41 0.00 -0.77 0.00 0.00 57.85 57.08 3gut n ARG 278 Cb 0.50 -4.68 -0.02 0.00 -1.02 0.00 0.00 32.46 27.24 3gut n ARG 278 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3gut s GLU 279 N -1.67 4.31 -0.05 5.56 2.56 -1.24 -4.86 118.70 123.30 3gut s GLU 279 Ca 0.00 2.23 0.04 0.00 0.00 0.00 0.00 54.97 57.25 3gut s GLU 279 Cb 0.00 -3.12 -0.00 0.00 2.00 0.00 0.00 34.13 33.00 3gut s GLU 279 CO 0.00 -0.35 -0.19 -0.51 -0.56 0.00 0.00 175.26 173.65 3gut s LEU 280 N -0.48 1.93 0.83 2.70 1.43 -1.26 -2.15 118.68 121.69 3gut s LEU 280 Ca 0.57 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 53.16 3gut s LEU 280 Cb -0.40 -1.07 0.09 0.00 0.03 0.00 0.00 46.19 44.84 3gut s LEU 280 CO 0.43 0.16 1.11 -0.94 0.23 0.00 0.00 176.35 177.34 3gut s SER 281 N 0.09 4.15 0.53 2.29 1.04 -0.73 -4.95 113.70 116.12 3gut s SER 281 Ca -0.06 1.24 -0.22 0.00 0.48 0.00 0.00 55.95 57.38 3gut s SER 281 Cb -0.13 -1.93 -0.06 0.00 0.10 0.00 0.00 66.02 64.00 3gut s SER 281 CO 0.03 -2.18 1.38 -0.70 0.98 0.00 0.00 173.24 172.75 3gut s GLU 282 N -5.16 3.25 0.50 4.02 2.12 -1.26 -4.54 118.70 117.63 3gut s GLU 282 Ca 0.62 2.28 -0.20 0.00 0.36 0.00 0.00 54.97 58.03 3gut s GLU 282 Cb -0.15 -2.34 -0.08 0.00 0.26 0.00 0.00 34.13 31.82 3gut s GLU 282 CO 0.54 -1.12 1.06 -1.25 -0.54 0.00 0.00 175.26 173.95 3gut s PRO 283 N -2.81 3.68 -0.15 4.30 0.04 -1.26 -4.72 135.00 134.08 3gut s PRO 283 Ca 0.69 1.41 -0.00 0.00 0.04 0.00 0.00 61.00 63.14 3gut s PRO 283 Cb -0.41 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.09 3gut s PRO 283 CO 0.50 -0.54 -0.09 -1.64 0.04 0.00 0.00 177.00 175.27 3gut s MET 284 N -3.28 1.75 0.02 4.56 -1.94 0.25 -4.94 119.30 115.71 3gut s MET 284 Ca 0.68 -0.51 -0.35 0.00 -1.71 0.00 0.00 55.69 53.81 3gut s MET 284 Cb -0.18 -1.99 -0.13 0.00 2.01 0.00 0.00 34.83 34.54 3gut s MET 284 CO 0.22 -0.34 1.70 0.39 -0.01 0.00 0.00 175.02 176.98 3gut n GLU 285 N 4.84 2.02 -4.51 2.03 4.71 -1.26 -2.99 120.64 125.48 3gut n GLU 285 Ca -0.14 0.74 -0.21 0.00 -0.01 0.00 0.00 57.16 57.54 3gut n GLU 285 Cb 0.49 -2.52 -0.15 0.00 -1.01 0.00 0.00 31.44 28.24 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 2.42 1.11 -0.28 -0.32 2.19 -0.53 -4.83 117.98 117.73 3gut s PHE 286 Ca 0.86 -0.26 -0.00 0.00 0.33 0.00 0.00 56.93 57.86 3gut s PHE 286 Cb -0.73 -0.75 0.05 0.00 -1.31 0.00 0.00 43.02 40.28 3gut s PHE 286 CO 0.46 -0.08 -0.04 -1.14 1.83 0.00 0.00 175.22 176.25 3gut s GLN 287 N -0.01 2.38 0.42 10.12 0.74 0.16 0.15 119.66 133.62 3gut s GLN 287 Ca -0.00 -1.28 -0.23 0.00 0.05 0.00 0.00 55.36 53.90 3gut s GLN 287 Cb -0.07 -3.08 -0.09 0.00 1.10 0.00 0.00 33.01 30.87 3gut s GLN 287 CO 0.00 -0.59 1.03 0.71 -0.55 0.00 0.00 175.29 175.89 3gut s TYR 288 N 1.20 3.22 0.10 1.67 2.02 -0.82 -2.15 117.35 122.59 3gut s TYR 288 Ca -0.06 1.63 0.05 0.00 -0.37 0.00 0.00 57.07 58.32 3gut s TYR 288 Cb -0.20 -3.08 -0.03 0.00 -0.40 0.00 0.00 41.96 38.25 3gut s TYR 288 CO -0.02 -0.60 -0.13 -0.51 -1.57 0.00 0.00 175.55 172.72 3gut s LEU 289 N -2.87 2.36 0.57 -1.29 1.43 0.25 -2.58 118.68 116.54 3gut s LEU 289 Ca 0.60 -0.74 -0.20 0.00 -1.03 0.00 0.00 54.13 52.75 3gut s LEU 289 Cb -0.19 -0.47 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 3gut s LEU 289 CO 0.24 -0.16 1.26 -2.16 0.23 0.00 0.00 176.35 175.77 3gut s PRO 290 N -2.39 3.08 0.00 1.29 0.04 -1.26 -1.11 135.00 134.66 3gut s PRO 290 Ca 0.04 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.07 3gut s PRO 290 Cb -0.06 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.38 3gut s PRO 290 CO 0.02 -1.16 0.08 -0.25 0.04 0.00 0.00 177.00 175.72