#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g32 s VAL 17 N 0.00 5.28 -1.59 1.39 1.01 0.48 -4.15 120.40 122.82 1g32 s VAL 17 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1g32 s VAL 17 Cb 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1g32 s VAL 17 CO 0.00 0.40 0.00 -0.62 0.00 0.00 0.00 175.10 174.88 1g32 n GLU 18 N 3.44 -1.28 0.00 2.72 -0.58 -1.26 -1.87 120.64 121.81 1g32 n GLU 18 Ca -0.12 0.94 0.00 0.00 -0.42 0.00 0.00 57.16 57.56 1g32 n GLU 18 Cb 0.52 -5.29 0.00 0.00 -0.57 0.00 0.00 31.44 26.10 1g32 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1g32 n GLY 19 N -0.97 1.49 3.45 0.62 0.00 -1.26 -4.69 105.19 103.83 1g32 n GLY 19 Ca -0.19 -1.90 -0.10 0.00 0.00 0.00 0.00 46.02 43.84 1g32 n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1g32 s SER 20 N -1.00 -0.02 0.21 1.61 1.04 0.48 -4.89 113.70 111.14 1g32 s SER 20 Ca 0.00 -0.98 -0.31 0.00 0.48 0.00 0.00 55.95 55.13 1g32 s SER 20 Cb 0.00 0.51 -0.11 0.00 0.10 0.00 0.00 66.02 66.52 1g32 s SER 20 CO 0.00 -1.02 1.62 -1.81 0.98 0.00 0.00 173.24 173.02 1g32 s ASP 21 N -3.03 6.47 0.57 7.02 1.11 -1.26 0.14 116.67 127.69 1g32 s ASP 21 Ca 0.24 2.79 -0.18 0.00 0.18 0.00 0.00 52.55 55.57 1g32 s ASP 21 Cb 0.02 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 1g32 s ASP 21 CO 0.07 -0.89 1.12 0.00 1.18 0.00 0.00 175.17 176.65 1g32 s ALA 22 N 0.84 2.64 0.60 5.23 0.00 0.35 -4.79 121.76 126.62 1g32 s ALA 22 Ca 0.70 0.74 -0.10 0.00 0.00 0.00 0.00 51.96 53.30 1g32 s ALA 22 Cb -0.47 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 1g32 s ALA 22 CO 0.36 -0.90 0.99 -1.21 0.00 0.00 0.00 175.76 175.00 1g32 s GLU 23 N -3.51 3.60 0.09 0.00 2.02 -1.26 -4.94 118.70 114.69 1g32 s GLU 23 Ca 0.71 0.68 -0.31 0.00 0.02 0.00 0.00 54.97 56.07 1g32 s GLU 23 Cb -0.23 -2.12 -0.07 0.00 0.10 0.00 0.00 34.13 31.81 1g32 s GLU 23 CO 0.31 -0.51 1.39 0.42 0.02 0.00 0.00 175.26 176.88 1g32 s ILE 24 N -3.11 3.43 0.00 -1.63 1.09 -1.26 -2.29 121.20 117.43 1g32 s ILE 24 Ca 0.54 0.99 0.00 0.00 -1.10 0.00 0.00 60.65 61.08 1g32 s ILE 24 Cb -0.11 -3.63 0.00 0.00 -1.06 0.00 0.00 42.46 37.66 1g32 s ILE 24 CO 0.52 0.06 0.00 0.61 -0.10 0.00 0.00 174.94 176.03 1g32 n GLY 25 N 3.52 0.55 0.17 6.18 0.00 -1.26 -4.92 105.19 109.43 1g32 n GLY 25 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 1g32 n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1g32 h MET 26 N 1.26 0.10 -2.03 1.61 -1.53 -1.82 -3.34 114.93 109.17 1g32 h MET 26 Ca 0.00 -0.05 -0.56 0.00 -3.44 0.00 0.00 59.70 55.65 1g32 h MET 26 Cb 0.05 0.00 -0.40 0.00 -0.55 0.00 0.00 31.60 30.70 1g32 h MET 26 CO 0.00 0.56 -1.04 0.45 0.14 0.00 0.00 176.91 177.02 1g32 n SER 27 N -3.97 0.82 0.00 1.39 2.88 -1.26 -4.97 113.62 108.51 1g32 n SER 27 Ca -0.02 -2.85 0.02 0.00 -1.33 0.00 0.00 58.87 54.70 1g32 n SER 27 Cb 0.51 -0.64 0.10 0.00 -0.75 0.00 0.00 64.21 63.43 1g32 n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1g32 n PRO 28 N 1.17 0.03 0.00 -1.46 -0.04 -1.26 -0.89 135.00 132.55 1g32 n PRO 28 Ca 0.23 0.35 0.12 0.00 -0.04 0.00 0.00 63.50 64.15 1g32 n PRO 28 Cb 0.53 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.62 1g32 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1g32 n TRP 29 N -1.41 0.00 -1.92 0.54 2.14 -1.01 -1.47 117.44 114.32 1g32 n TRP 29 Ca 0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.16 1g32 n TRP 29 Cb 0.04 -0.01 -0.03 0.00 -0.81 0.00 0.00 31.31 30.50 1g32 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1g32 s GLN 30 N -2.24 4.21 -0.01 -2.67 2.00 -0.07 -0.17 119.66 120.71 1g32 s GLN 30 Ca 0.25 2.37 0.05 0.00 -2.00 0.00 0.00 55.36 56.03 1g32 s GLN 30 Cb 0.19 -3.21 -0.01 0.00 0.80 0.00 0.00 33.01 30.77 1g32 s GLN 30 CO 0.44 -0.63 -0.17 0.08 -0.50 0.00 0.00 175.29 174.51 1g32 s VAL 31 N 1.36 1.30 -0.20 1.34 1.01 -0.70 -3.92 120.40 120.59 1g32 s VAL 31 Ca 0.71 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 1g32 s VAL 31 Cb -0.44 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 1g32 s VAL 31 CO 0.31 0.34 0.04 -0.32 0.00 0.00 0.00 175.10 175.47 1g32 s MET 32 N -0.47 3.74 -0.43 2.72 1.75 -0.40 -0.85 119.30 125.36 1g32 s MET 32 Ca 0.06 -0.46 -0.23 0.00 -1.25 0.00 0.00 55.69 53.81 1g32 s MET 32 Cb -0.07 -3.17 0.02 0.00 2.84 0.00 0.00 34.83 34.45 1g32 s MET 32 CO -0.00 0.05 0.78 -1.17 -0.65 0.00 0.00 175.02 174.03 1g32 s LEU 33 N 0.94 4.21 -0.15 4.11 2.96 0.34 -1.02 118.68 130.07 1g32 s LEU 33 Ca 0.03 0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 53.91 1g32 s LEU 33 Cb -0.14 -2.98 -0.03 0.00 0.50 0.00 0.00 46.19 43.54 1g32 s LEU 33 CO 0.02 -0.87 -0.02 0.12 -1.32 0.00 0.00 176.35 174.29 1g32 s PHE 34 N 3.25 3.07 -0.02 5.38 2.19 0.10 -0.30 117.98 131.64 1g32 s PHE 34 Ca 0.30 -0.18 -0.25 0.00 0.33 0.00 0.00 56.93 57.14 1g32 s PHE 34 Cb -0.12 -1.95 -0.04 0.00 -1.31 0.00 0.00 43.02 39.59 1g32 s PHE 34 CO 0.21 0.06 0.75 0.50 1.83 0.00 0.00 175.22 178.58 1g32 s ARG 35 N 0.19 4.47 -0.03 10.12 3.52 0.61 -0.73 118.95 137.10 1g32 s ARG 35 Ca -0.01 1.00 -0.25 0.00 -0.13 0.00 0.00 55.73 56.35 1g32 s ARG 35 Cb -0.13 -3.42 -0.21 0.00 -1.56 0.00 0.00 34.95 29.62 1g32 s ARG 35 CO 0.02 0.12 1.15 0.87 -0.81 0.00 0.00 175.30 176.65 1g32 h LYS 36 N 6.43 0.11 -3.28 5.12 1.57 -1.84 -1.94 116.57 122.74 1g32 h LYS 36 Ca -0.42 -0.09 -0.53 0.00 -1.87 0.00 0.00 60.65 57.75 1g32 h LYS 36 Cb 1.20 0.02 -0.40 0.00 0.08 0.00 0.00 32.23 33.13 1g32 h LYS 36 CO 0.74 0.72 -0.76 -1.12 -0.57 0.00 0.00 179.45 178.46 1g32 s SER 36 N -6.02 3.25 0.84 0.86 0.01 -1.26 -2.23 113.70 109.14 1g32 s SER 36 Ca -0.16 -1.10 -0.12 0.00 1.31 0.00 0.00 55.95 55.88 1g32 s SER 36 Cb 0.01 -0.54 0.09 0.00 0.21 0.00 0.00 66.02 65.80 1g32 s SER 36 CO 0.71 -0.37 1.10 -2.16 0.41 0.00 0.00 173.24 172.93 1g32 s PRO 37 N 1.91 1.77 -0.38 12.44 0.04 -1.26 -5.07 135.00 144.45 1g32 s PRO 37 Ca 0.05 0.63 -0.29 0.00 0.04 0.00 0.00 61.00 61.42 1g32 s PRO 37 Cb -0.17 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.50 1g32 s PRO 37 CO -0.20 -1.84 1.31 -0.65 0.04 0.00 0.00 177.00 175.67 1g32 s GLN 38 N -5.12 3.74 0.11 4.56 -0.21 -0.95 -4.54 119.66 117.25 1g32 s GLN 38 Ca 0.62 0.99 -0.25 0.00 0.02 0.00 0.00 55.36 56.74 1g32 s GLN 38 Cb -0.15 -3.94 0.08 0.00 1.00 0.00 0.00 33.01 29.99 1g32 s GLN 38 CO 0.55 -1.35 0.66 -1.83 -2.12 0.00 0.00 175.29 171.19 1g32 s GLU 39 N 4.53 1.18 -0.04 2.91 -1.05 -0.73 -4.96 118.70 120.54 1g32 s GLU 39 Ca 0.57 -0.36 -0.30 0.00 -0.15 0.00 0.00 54.97 54.72 1g32 s GLU 39 Cb -0.13 0.54 -0.05 0.00 -0.44 0.00 0.00 34.13 34.05 1g32 s GLU 39 CO 0.28 -0.50 1.38 -1.17 0.95 0.00 0.00 175.26 176.20 1g32 s LEU 40 N -2.53 4.29 -0.26 1.83 2.96 -1.26 -0.28 118.68 123.43 1g32 s LEU 40 Ca 0.00 2.02 -0.03 0.00 -0.22 0.00 0.00 54.13 55.91 1g32 s LEU 40 Cb -0.01 -3.55 -0.15 0.00 0.50 0.00 0.00 46.19 42.98 1g32 s LEU 40 CO -0.10 -0.72 -0.27 0.18 -1.32 0.00 0.00 176.35 174.12 1g32 n LEU 41 N 5.67 2.63 -3.83 -0.68 4.32 0.58 -4.89 117.00 120.81 1g32 n LEU 41 Ca 0.13 0.02 -0.03 0.00 -0.02 0.00 0.00 56.01 56.11 1g32 n LEU 41 Cb 0.44 -0.86 0.01 0.00 -1.62 0.00 0.00 43.42 41.39 1g32 n LEU 41 CO 0.58 0.81 0.79 0.00 -1.22 0.00 0.00 177.39 178.35 1g32 s GLY 43 N -3.23 1.91 0.09 0.00 0.00 0.06 -0.51 107.32 105.63 1g32 s GLY 43 Ca 0.18 -1.59 -0.11 0.00 0.00 0.00 0.00 44.72 43.20 1g32 s GLY 43 CO 0.04 -1.37 0.53 0.00 0.00 0.00 0.00 173.10 172.30 1g32 n ALA 44 N -1.99 -1.40 -3.20 3.20 0.00 -0.03 -3.37 120.51 113.72 1g32 n ALA 44 Ca 0.08 -0.51 -0.13 0.00 0.00 0.00 0.00 53.44 52.88 1g32 n ALA 44 Cb 0.59 0.27 -0.09 0.00 0.00 0.00 0.00 19.45 20.23 1g32 n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1g32 s SER 45 N -2.25 -0.16 -0.33 0.00 1.04 0.47 -1.72 113.70 110.74 1g32 s SER 45 Ca 0.12 0.02 -0.21 0.00 0.48 0.00 0.00 55.95 56.36 1g32 s SER 45 Cb -0.01 0.30 -0.00 0.00 0.10 0.00 0.00 66.02 66.41 1g32 s SER 45 CO 0.03 -0.46 0.67 -0.22 0.98 0.00 0.00 173.24 174.24 1g32 s LEU 46 N -1.41 4.18 -0.00 2.42 0.20 0.76 -0.14 118.68 124.69 1g32 s LEU 46 Ca -0.13 0.33 0.13 0.00 0.69 0.00 0.00 54.13 55.16 1g32 s LEU 46 Cb -0.05 -2.86 -0.15 0.00 -0.43 0.00 0.00 46.19 42.70 1g32 s LEU 46 CO 0.03 -0.58 0.58 2.30 -0.29 0.00 0.00 176.35 178.39 1g32 n ILE 47 N 5.55 0.00 -3.87 6.68 -5.35 -0.39 -1.77 119.36 120.20 1g32 n ILE 47 Ca 0.00 -0.18 -0.02 0.00 -0.27 0.00 0.00 62.75 62.28 1g32 n ILE 47 Cb 0.49 1.00 0.02 0.00 -1.74 0.00 0.00 39.64 39.40 1g32 n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1g32 n SER 48 N -1.32 -1.53 0.30 7.28 3.41 -1.19 -4.69 113.62 115.88 1g32 n SER 48 Ca 0.03 -1.76 0.20 0.00 -0.26 0.00 0.00 58.87 57.07 1g32 n SER 48 Cb 0.21 2.47 0.94 0.00 -0.26 0.00 0.00 64.21 67.57 1g32 n SER 48 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1g32 h ASP 49 N 1.80 0.00 0.00 4.04 3.04 -1.89 -3.23 116.42 120.18 1g32 h ASP 49 Ca -0.24 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.55 1g32 h ASP 49 Cb 1.09 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.38 1g32 h ASP 49 CO 0.33 0.00 0.00 0.54 -2.04 0.00 0.00 179.24 178.07 1g32 n ARG 50 N -3.07 -0.00 -4.79 4.15 1.74 -1.26 -0.76 116.66 112.66 1g32 n ARG 50 Ca -0.01 -0.55 -0.32 0.00 -0.77 0.00 0.00 57.85 56.20 1g32 n ARG 50 Cb 0.19 -0.84 -0.17 0.00 -1.02 0.00 0.00 32.46 30.62 1g32 n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1g32 s TRP 51 N -0.17 2.62 -0.10 -1.55 0.52 -1.22 -0.83 118.94 118.21 1g32 s TRP 51 Ca 0.00 -1.27 0.03 0.00 0.02 0.00 0.00 56.10 54.88 1g32 s TRP 51 Cb 0.00 -1.78 -0.01 0.00 -1.15 0.00 0.00 33.47 30.53 1g32 s TRP 51 CO 0.00 -0.57 -0.20 0.08 0.02 0.00 0.00 176.95 176.29 1g32 s VAL 52 N 0.71 2.48 -0.08 4.03 1.01 -0.35 -1.26 120.40 126.94 1g32 s VAL 52 Ca -0.10 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 1g32 s VAL 52 Cb -0.16 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1g32 s VAL 52 CO 0.01 0.55 -0.02 -0.22 0.00 0.00 0.00 175.10 175.42 1g32 s LEU 53 N 0.18 3.47 0.00 3.92 2.96 0.80 -1.04 118.68 128.98 1g32 s LEU 53 Ca -0.11 0.10 -0.06 0.00 -0.22 0.00 0.00 54.13 53.84 1g32 s LEU 53 Cb -0.16 -1.78 0.02 0.00 0.50 0.00 0.00 46.19 44.77 1g32 s LEU 53 CO 0.06 0.37 0.37 1.07 -1.32 0.00 0.00 176.35 176.91 1g32 n THR 54 N 2.16 0.00 -3.24 3.68 5.66 -0.43 -0.40 114.28 121.72 1g32 n THR 54 Ca -0.18 -0.69 -0.39 0.00 -3.05 0.00 0.00 64.05 59.74 1g32 n THR 54 Cb 0.53 0.56 -0.06 0.00 -1.55 0.00 0.00 70.33 69.82 1g32 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1g32 s ALA 55 N -1.81 3.50 0.40 1.79 0.00 -1.26 -0.57 121.76 123.82 1g32 s ALA 55 Ca 0.11 -0.01 0.15 0.00 0.00 0.00 0.00 51.96 52.21 1g32 s ALA 55 Cb -0.02 -2.71 1.01 0.00 0.00 0.00 0.00 23.12 21.40 1g32 s ALA 55 CO 0.08 0.16 1.86 0.00 0.00 0.00 0.00 175.76 177.86 1g32 h ALA 56 N 5.72 2.10 0.00 0.00 0.00 -1.68 -0.32 119.26 125.08 1g32 h ALA 56 Ca -0.45 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1g32 h ALA 56 Cb 1.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1g32 h ALA 56 CO 0.70 -0.37 0.00 1.12 0.00 0.00 0.00 179.25 180.70 1g32 h HIS 57 N 0.48 0.00 0.00 0.00 2.07 -1.88 -0.10 115.15 115.71 1g32 h HIS 57 Ca 0.46 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.92 1g32 h HIS 57 Cb 1.04 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.01 1g32 h HIS 57 CO -0.00 0.00 -0.30 0.00 -3.07 0.00 0.00 177.93 174.55 1g32 n LEU 59 N -3.47 1.43 -4.15 0.00 4.77 -0.27 -4.87 117.00 110.44 1g32 n LEU 59 Ca -0.00 0.24 -0.33 0.00 -0.03 0.00 0.00 56.01 55.89 1g32 n LEU 59 Cb 0.47 -0.59 -0.16 0.00 -2.33 0.00 0.00 43.42 40.82 1g32 n LEU 59 CO 0.35 0.30 -0.50 -0.22 -1.33 0.00 0.00 177.39 175.99 1g32 s LEU 60 N -7.14 2.28 0.10 2.23 2.96 -0.21 -1.35 118.68 117.54 1g32 s LEU 60 Ca -0.27 -0.62 -0.26 0.00 -0.22 0.00 0.00 54.13 52.77 1g32 s LEU 60 Cb 0.10 -1.52 0.08 0.00 0.50 0.00 0.00 46.19 45.34 1g32 s LEU 60 CO 0.34 -0.01 0.77 -0.47 -1.32 0.00 0.00 176.35 175.66 1g32 s TYR 60 N 1.32 -0.39 0.00 5.38 5.04 0.62 -4.00 117.35 125.32 1g32 s TYR 60 Ca 0.05 0.19 0.00 0.00 -2.44 0.00 0.00 57.07 54.87 1g32 s TYR 60 Cb -0.13 0.57 0.00 0.00 0.35 0.00 0.00 41.96 42.75 1g32 s TYR 60 CO -0.11 -0.74 0.00 -2.30 -1.34 0.00 0.00 175.55 171.06 1g32 n PRO 60 N -0.33 0.00 -0.64 4.97 -0.02 -1.26 -2.32 135.00 135.39 1g32 n PRO 60 Ca -0.11 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.44 1g32 n PRO 60 Cb 0.63 0.00 0.32 0.00 -0.02 0.00 0.00 33.50 34.43 1g32 n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1g32 n TRP 60 N 0.00 1.43 -2.49 6.00 8.01 -1.26 -4.94 117.44 124.19 1g32 n TRP 60 Ca 0.00 -0.84 -0.13 0.00 -1.31 0.00 0.00 57.50 55.22 1g32 n TRP 60 Cb 0.00 -0.41 -0.01 0.00 -2.01 0.00 0.00 31.31 28.89 1g32 n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1g32 n ASP 60 N -0.07 -3.98 -4.69 -0.99 8.00 -1.15 -4.94 116.55 108.73 1g32 n ASP 60 Ca 0.25 0.15 -0.37 0.00 0.71 0.00 0.00 54.79 55.53 1g32 n ASP 60 Cb 1.03 -3.37 -0.08 0.00 -0.02 0.00 0.00 41.12 38.68 1g32 n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1g32 s LYS 60 N -5.09 4.17 -0.44 -1.24 2.20 -0.98 -4.96 119.74 113.40 1g32 s LYS 60 Ca 0.02 0.00 0.03 0.00 -0.36 0.00 0.00 55.97 55.67 1g32 s LYS 60 Cb -0.01 -3.50 0.24 0.00 -1.51 0.00 0.00 37.83 33.06 1g32 s LYS 60 CO 0.03 0.10 0.99 -1.71 -0.36 0.00 0.00 175.35 174.39 1g32 n ASN 60 N 4.09 -2.41 -4.80 1.43 2.85 -1.08 -0.27 115.26 115.06 1g32 n ASN 60 Ca -0.12 -2.71 -0.32 0.00 -0.11 0.00 0.00 54.58 51.33 1g32 n ASN 60 Cb 0.52 1.44 0.04 0.00 1.24 0.00 0.00 39.78 43.02 1g32 n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1g32 s PHE 60 N 0.55 2.98 0.21 1.20 0.08 -0.46 -4.99 117.98 117.55 1g32 s PHE 60 Ca 0.30 1.48 0.09 0.00 0.12 0.00 0.00 56.93 58.92 1g32 s PHE 60 Cb 0.20 -2.96 -0.05 0.00 -0.57 0.00 0.00 43.02 39.64 1g32 s PHE 60 CO -0.18 -1.28 -0.18 0.95 -0.10 0.00 0.00 175.22 174.43 1g32 s THR 60 N -2.78 2.02 0.20 0.64 -4.23 -1.26 -4.88 115.64 105.36 1g32 s THR 60 Ca 0.61 -2.14 -0.19 0.00 -1.18 0.00 0.00 61.69 58.79 1g32 s THR 60 Cb -0.15 -2.05 0.16 0.00 1.34 0.00 0.00 72.50 71.80 1g32 s THR 60 CO 0.48 -0.40 1.46 -0.62 -0.54 0.00 0.00 174.62 175.00 1g32 n GLU 61 N -0.13 -0.26 0.09 3.99 4.71 -1.26 -0.46 120.64 127.30 1g32 n GLU 61 Ca -0.10 1.44 0.07 0.00 -0.01 0.00 0.00 57.16 58.56 1g32 n GLU 61 Cb 0.59 -2.13 0.35 0.00 -1.01 0.00 0.00 31.44 29.23 1g32 n GLU 61 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1g32 n ASN 62 N -5.34 0.33 0.05 1.62 4.13 -1.26 -1.30 115.26 113.49 1g32 n ASN 62 Ca 0.08 0.63 0.13 0.00 1.68 0.00 0.00 54.58 57.10 1g32 n ASN 62 Cb 0.35 -0.68 0.32 0.00 -1.54 0.00 0.00 39.78 38.23 1g32 n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1g32 n ASP 63 N -1.92 0.58 -4.61 6.41 8.00 0.39 -4.94 116.55 120.46 1g32 n ASP 63 Ca 0.00 0.24 -0.25 0.00 0.71 0.00 0.00 54.79 55.49 1g32 n ASP 63 Cb 0.06 -0.19 -0.09 0.00 -0.02 0.00 0.00 41.12 40.88 1g32 n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1g32 s LEU 64 N -3.89 2.92 -0.06 0.64 1.43 -0.42 -2.86 118.68 116.44 1g32 s LEU 64 Ca 0.10 -1.06 -0.06 0.00 -1.03 0.00 0.00 54.13 52.07 1g32 s LEU 64 Cb 0.15 -1.25 0.02 0.00 0.03 0.00 0.00 46.19 45.14 1g32 s LEU 64 CO 0.65 -0.25 0.17 -0.22 0.23 0.00 0.00 176.35 176.94 1g32 s LEU 65 N -3.70 1.35 -0.25 1.79 2.96 0.09 -4.55 118.68 116.36 1g32 s LEU 65 Ca 0.34 0.28 -0.07 0.00 -0.22 0.00 0.00 54.13 54.47 1g32 s LEU 65 Cb 0.01 0.62 -0.02 0.00 0.50 0.00 0.00 46.19 47.30 1g32 s LEU 65 CO 0.19 -0.10 0.06 -0.69 -1.32 0.00 0.00 176.35 174.48 1g32 s VAL 66 N -0.10 4.15 -0.35 1.68 1.01 -0.43 0.02 120.40 126.38 1g32 s VAL 66 Ca -0.02 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 1g32 s VAL 66 Cb -0.02 -2.97 0.04 0.00 0.00 0.00 0.00 36.38 33.42 1g32 s VAL 66 CO 0.00 0.30 0.15 -0.13 0.00 0.00 0.00 175.10 175.42 1g32 s ARG 67 N 1.58 2.69 0.01 2.72 0.52 -0.19 -0.53 118.95 125.75 1g32 s ARG 67 Ca 0.06 -1.15 0.01 0.00 -0.52 0.00 0.00 55.73 54.13 1g32 s ARG 67 Cb -0.15 -3.57 -0.04 0.00 0.52 0.00 0.00 34.95 31.71 1g32 s ARG 67 CO 0.03 -0.69 0.01 0.42 0.02 0.00 0.00 175.30 175.10 1g32 s ILE 68 N 1.46 4.24 0.00 1.52 1.01 0.18 -1.27 121.20 128.34 1g32 s ILE 68 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1g32 s ILE 68 Cb -0.19 -2.91 0.00 0.00 0.01 0.00 0.00 42.46 39.37 1g32 s ILE 68 CO 0.04 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.94 1g32 n GLY 69 N 1.29 0.60 3.86 6.18 0.00 -1.25 -0.25 105.19 115.63 1g32 n GLY 69 Ca -0.14 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 1g32 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g32 s LYS 70 N -0.53 3.39 0.25 1.61 1.02 -1.26 -4.30 119.74 119.91 1g32 s LYS 70 Ca 0.00 0.76 0.00 0.00 0.02 0.00 0.00 55.97 56.75 1g32 s LYS 70 Cb 0.00 -2.06 0.00 0.00 -0.52 0.00 0.00 37.83 35.25 1g32 s LYS 70 CO 0.00 -0.73 0.00 1.58 -0.92 0.00 0.00 175.35 175.28 1g32 n HIS 71 N -2.85 -2.04 -2.17 3.18 -0.00 -1.26 -4.96 115.22 105.11 1g32 n HIS 71 Ca 0.06 0.36 -0.37 0.00 -0.00 0.00 0.00 57.72 57.77 1g32 n HIS 71 Cb 0.54 0.49 -0.00 0.00 -0.00 0.00 0.00 29.99 31.02 1g32 n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1g32 s SER 72 N -5.16 6.01 -0.06 0.26 0.15 -1.26 -0.74 113.70 112.91 1g32 s SER 72 Ca 0.00 2.39 -0.09 0.00 0.70 0.00 0.00 55.95 58.95 1g32 s SER 72 Cb 0.00 -2.61 -0.05 0.00 -1.71 0.00 0.00 66.02 61.65 1g32 s SER 72 CO 0.00 -1.03 0.37 -0.09 1.20 0.00 0.00 173.24 173.69 1g32 h ARG 73 N 1.95 -0.31 0.00 5.44 2.43 -1.32 -3.41 114.38 119.16 1g32 h ARG 73 Ca -0.50 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1g32 h ARG 73 Cb 1.26 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 1g32 h ARG 73 CO 0.60 -0.21 -1.17 0.25 -1.51 0.00 0.00 179.97 177.93 1g32 n THR 74 N -4.96 0.39 -3.04 0.20 -2.24 -1.26 -4.96 114.28 98.41 1g32 n THR 74 Ca -0.04 -0.45 -0.39 0.00 -2.27 0.00 0.00 64.05 60.89 1g32 n THR 74 Cb 0.13 -0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.16 1g32 n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1g32 s ARG 75 N -3.34 4.46 -0.42 -0.78 3.00 -1.26 -5.01 118.95 115.61 1g32 s ARG 75 Ca -0.01 1.02 -0.29 0.00 0.00 0.00 0.00 55.73 56.45 1g32 s ARG 75 Cb 0.12 -3.32 0.01 0.00 0.00 0.00 0.00 34.95 31.75 1g32 s ARG 75 CO 0.81 0.40 1.38 -0.47 0.00 0.00 0.00 175.30 177.42 1g32 s TYR 76 N -0.43 2.45 -1.20 -0.53 5.04 -1.26 -4.83 117.35 116.57 1g32 s TYR 76 Ca 0.36 0.68 -0.18 0.00 -2.44 0.00 0.00 57.07 55.50 1g32 s TYR 76 Cb -0.21 -4.31 0.10 0.00 0.35 0.00 0.00 41.96 37.89 1g32 s TYR 76 CO 0.23 -1.91 1.56 -1.21 -1.34 0.00 0.00 175.55 172.88 1g32 s GLU 77 N 4.87 3.93 0.19 4.97 2.02 -1.26 -4.98 118.70 128.44 1g32 s GLU 77 Ca 0.60 -2.03 -0.33 0.00 0.02 0.00 0.00 54.97 53.23 1g32 s GLU 77 Cb -0.13 -5.32 -0.15 0.00 0.10 0.00 0.00 34.13 28.63 1g32 s GLU 77 CO 0.32 -2.07 1.34 0.54 0.02 0.00 0.00 175.26 175.42 1g32 n ARG 77 N 7.51 1.67 -0.67 1.61 1.74 -1.26 -1.51 116.66 125.74 1g32 n ARG 77 Ca 0.41 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 58.09 1g32 n ARG 77 Cb 0.46 -2.21 0.00 0.00 -1.02 0.00 0.00 32.46 29.69 1g32 n ARG 77 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1g32 n ASN 78 N 2.31 0.00 0.03 0.55 5.03 -1.26 -4.77 115.26 117.15 1g32 n ASN 78 Ca 0.14 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.58 1g32 n ASN 78 Cb 0.28 -0.85 -0.00 0.00 -1.02 0.00 0.00 39.78 38.18 1g32 n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1g32 n ILE 79 N -2.00 1.23 -1.74 2.41 5.41 -0.57 -5.06 119.36 119.03 1g32 n ILE 79 Ca 0.00 0.36 -0.31 0.00 1.00 0.00 0.00 62.75 63.80 1g32 n ILE 79 Cb 0.00 -1.68 0.04 0.00 -0.71 0.00 0.00 39.64 37.29 1g32 n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1g32 s GLU 80 N -2.09 3.14 -0.04 0.38 -1.05 -0.69 -4.79 118.70 113.56 1g32 s GLU 80 Ca -0.04 0.77 0.01 0.00 -0.15 0.00 0.00 54.97 55.56 1g32 s GLU 80 Cb 0.01 -2.03 0.02 0.00 -0.44 0.00 0.00 34.13 31.69 1g32 s GLU 80 CO 0.06 -0.91 -0.06 0.15 0.95 0.00 0.00 175.26 175.46 1g32 s LYS 81 N -5.16 0.95 -0.24 -4.83 1.02 0.66 -4.92 119.74 107.22 1g32 s LYS 81 Ca 0.57 -0.16 -0.07 0.00 0.02 0.00 0.00 55.97 56.33 1g32 s LYS 81 Cb -0.12 -0.90 -0.03 0.00 -0.52 0.00 0.00 37.83 36.26 1g32 s LYS 81 CO 0.54 -0.05 0.05 0.42 -0.92 0.00 0.00 175.35 175.39 1g32 s ILE 82 N 0.80 4.14 0.22 2.17 1.01 -1.26 -0.64 121.20 127.63 1g32 s ILE 82 Ca -0.12 -0.23 0.08 0.00 0.00 0.00 0.00 60.65 60.38 1g32 s ILE 82 Cb -0.14 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 1g32 s ILE 82 CO 0.01 0.36 0.02 -0.44 0.00 0.00 0.00 174.94 174.89 1g32 s SER 83 N 1.53 4.76 0.14 3.58 0.01 0.30 -4.95 113.70 119.08 1g32 s SER 83 Ca 0.06 -0.48 0.04 0.00 1.31 0.00 0.00 55.95 56.88 1g32 s SER 83 Cb -0.15 -0.99 -0.04 0.00 0.21 0.00 0.00 66.02 65.05 1g32 s SER 83 CO 0.02 0.04 0.14 -0.04 0.41 0.00 0.00 173.24 173.81 1g32 s MET 84 N -3.35 2.98 -0.14 12.44 1.00 -1.26 -1.31 119.30 129.65 1g32 s MET 84 Ca 0.30 -0.78 -0.19 0.00 0.00 0.00 0.00 55.69 55.01 1g32 s MET 84 Cb -0.08 -2.72 -0.04 0.00 0.00 0.00 0.00 34.83 32.00 1g32 s MET 84 CO 0.20 0.51 0.54 -0.51 0.00 0.00 0.00 175.02 175.76 1g32 s LEU 85 N -2.94 4.23 -0.08 -0.03 1.43 -1.26 -0.01 118.68 120.02 1g32 s LEU 85 Ca 0.31 0.83 -0.19 0.00 -1.03 0.00 0.00 54.13 54.05 1g32 s LEU 85 Cb -0.11 -2.78 -0.29 0.00 0.03 0.00 0.00 46.19 43.05 1g32 s LEU 85 CO 0.24 -0.10 0.72 -0.08 0.23 0.00 0.00 176.35 177.35 1g32 h GLU 86 N 7.03 0.25 -2.12 1.70 4.81 -0.39 -3.44 114.58 122.42 1g32 h GLU 86 Ca -0.38 -0.43 -0.07 0.00 -0.13 0.00 0.00 59.36 58.35 1g32 h GLU 86 Cb 1.17 0.16 -0.19 0.00 0.63 0.00 0.00 28.75 30.52 1g32 h GLU 86 CO 0.75 1.21 0.13 0.21 -0.73 0.00 0.00 179.01 180.58 1g32 s LYS 87 N -2.44 1.01 -0.07 1.92 2.47 -1.11 -5.00 119.74 116.51 1g32 s LYS 87 Ca -0.17 0.21 0.02 0.00 -1.56 0.00 0.00 55.97 54.47 1g32 s LYS 87 Cb 0.02 0.47 -0.02 0.00 -1.46 0.00 0.00 37.83 36.85 1g32 s LYS 87 CO 0.79 -0.31 -0.12 0.42 0.16 0.00 0.00 175.35 176.28 1g32 s ILE 88 N -1.19 3.20 -0.11 5.43 1.01 -1.26 -0.49 121.20 127.78 1g32 s ILE 88 Ca -0.11 -0.66 -0.00 0.00 0.00 0.00 0.00 60.65 59.88 1g32 s ILE 88 Cb -0.01 -2.29 0.02 0.00 0.01 0.00 0.00 42.46 40.20 1g32 s ILE 88 CO 0.09 0.58 -0.08 -0.31 0.00 0.00 0.00 174.94 175.22 1g32 s TYR 89 N -0.48 1.49 -0.06 3.97 1.51 0.11 -5.00 117.35 118.89 1g32 s TYR 89 Ca 0.06 -0.72 0.02 0.00 -1.01 0.00 0.00 57.07 55.42 1g32 s TYR 89 Cb -0.12 -1.22 -0.03 0.00 -0.11 0.00 0.00 41.96 40.48 1g32 s TYR 89 CO 0.02 -0.49 -0.11 0.42 -1.11 0.00 0.00 175.55 174.28 1g32 s ILE 90 N 1.58 3.38 0.02 2.71 1.01 -1.26 0.02 121.20 128.65 1g32 s ILE 90 Ca 0.03 -0.60 -0.37 0.00 0.00 0.00 0.00 60.65 59.71 1g32 s ILE 90 Cb -0.13 -2.36 -0.16 0.00 0.01 0.00 0.00 42.46 39.83 1g32 s ILE 90 CO -0.07 0.59 1.46 1.57 0.00 0.00 0.00 174.94 178.50 1g32 n HIS 91 N 2.30 1.74 0.29 3.97 -0.00 -1.03 -4.82 115.22 117.67 1g32 n HIS 91 Ca -0.18 0.55 0.19 0.00 -0.00 0.00 0.00 57.72 58.28 1g32 n HIS 91 Cb 0.53 -2.39 0.99 0.00 -0.00 0.00 0.00 29.99 29.12 1g32 n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1g32 h PRO 92 N 5.39 0.00 -0.28 1.57 0.13 -1.94 -1.42 132.00 135.45 1g32 h PRO 92 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1g32 h PRO 92 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1g32 h PRO 92 CO 0.83 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.14 1g32 n ARG 93 N -3.42 2.87 -1.70 0.86 1.74 -1.26 -4.99 116.66 110.76 1g32 n ARG 93 Ca -0.02 -2.54 -0.43 0.00 -0.77 0.00 0.00 57.85 54.09 1g32 n ARG 93 Cb 0.19 -1.62 -0.03 0.00 -1.02 0.00 0.00 32.46 29.97 1g32 n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1g32 n TYR 94 N -0.19 2.60 -3.85 -1.55 9.36 -0.54 -4.72 117.16 118.27 1g32 n TYR 94 Ca 0.17 0.02 -0.35 0.00 3.32 0.00 0.00 57.90 61.07 1g32 n TYR 94 Cb 0.72 -2.67 -0.13 0.00 -0.63 0.00 0.00 39.34 36.63 1g32 n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1g32 s ASN 95 N 1.73 5.10 0.02 2.98 2.47 0.16 -4.90 114.94 122.51 1g32 s ASN 95 Ca 0.79 -2.09 0.24 0.00 0.42 0.00 0.00 52.86 52.22 1g32 s ASN 95 Cb -0.54 -1.77 0.34 0.00 -1.45 0.00 0.00 41.25 37.84 1g32 s ASN 95 CO 0.36 -0.49 1.29 -2.67 -3.72 0.00 0.00 177.10 171.87 1g32 n TRP 96 N 4.47 0.09 0.00 0.43 4.27 -1.26 0.43 117.44 125.86 1g32 n TRP 96 Ca -0.00 0.03 -0.13 0.00 -3.89 0.00 0.00 57.50 53.51 1g32 n TRP 96 Cb 0.41 -0.28 -0.10 0.00 -1.36 0.00 0.00 31.31 29.98 1g32 n TRP 96 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1g32 h ARG 97 N 0.00 -0.06 0.00 -2.67 3.08 -1.99 -3.43 114.38 109.31 1g32 h ARG 97 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1g32 h ARG 97 Cb 0.55 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1g32 h ARG 97 CO 0.00 0.48 -0.92 -1.91 -1.07 0.00 0.00 179.97 176.55 1g32 n GLU 97 N -4.85 0.51 -0.80 0.04 2.13 -1.26 -4.95 120.64 111.46 1g32 n GLU 97 Ca -0.09 0.35 0.01 0.00 0.66 0.00 0.00 57.16 58.09 1g32 n GLU 97 Cb 0.29 -1.55 0.00 0.00 0.27 0.00 0.00 31.44 30.45 1g32 n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1g32 n ASN 98 N -4.51 0.25 -3.24 4.31 6.94 -1.24 -5.01 115.26 112.75 1g32 n ASN 98 Ca -0.15 -1.93 -0.21 0.00 -0.02 0.00 0.00 54.58 52.27 1g32 n ASN 98 Cb 0.45 -0.20 0.07 0.00 -2.36 0.00 0.00 39.78 37.74 1g32 n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1g32 n LEU 99 N 0.14 -3.27 -4.76 -4.53 4.77 0.17 -4.96 117.00 104.55 1g32 n LEU 99 Ca 0.01 -0.48 -0.39 0.00 -0.03 0.00 0.00 56.01 55.12 1g32 n LEU 99 Cb 0.81 -2.75 -0.06 0.00 -2.33 0.00 0.00 43.42 39.09 1g32 n LEU 99 CO -0.02 0.58 0.67 -0.62 -1.33 0.00 0.00 177.39 176.67 1g32 s ASP 100 N -3.32 7.43 -1.21 -1.43 2.15 -0.87 -3.54 116.67 115.89 1g32 s ASP 100 Ca 0.50 1.95 -0.00 0.00 0.43 0.00 0.00 52.55 55.43 1g32 s ASP 100 Cb -0.22 -2.60 -0.00 0.00 -0.30 0.00 0.00 42.92 39.80 1g32 s ASP 100 CO 0.65 -0.00 0.97 0.54 -0.17 0.00 0.00 175.17 177.16 1g32 n ARG 101 N 1.01 -6.37 -2.41 4.34 1.74 -1.26 -0.66 116.66 113.04 1g32 n ARG 101 Ca 0.00 0.83 -0.43 0.00 -0.77 0.00 0.00 57.85 57.48 1g32 n ARG 101 Cb 0.48 -5.81 0.00 0.00 -1.02 0.00 0.00 32.46 26.11 1g32 n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1g32 n ASP 102 N -3.13 4.73 -3.80 0.55 2.03 -1.23 -4.26 116.55 111.44 1g32 n ASP 102 Ca -0.29 -2.91 -0.12 0.00 0.52 0.00 0.00 54.79 51.99 1g32 n ASP 102 Cb 0.67 -1.72 -0.11 0.00 -0.72 0.00 0.00 41.12 39.25 1g32 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1g32 s ILE 103 N 3.79 0.03 -0.05 5.18 2.07 -1.26 -3.71 121.20 127.25 1g32 s ILE 103 Ca 0.52 -0.26 -0.16 0.00 -1.41 0.00 0.00 60.65 59.33 1g32 s ILE 103 Cb 0.06 -0.42 0.03 0.00 0.13 0.00 0.00 42.46 42.26 1g32 s ILE 103 CO 0.04 -0.14 0.36 0.00 -1.91 0.00 0.00 174.94 173.29 1g32 s ALA 104 N -0.53 -0.92 0.03 1.50 0.00 0.27 -2.48 121.76 119.63 1g32 s ALA 104 Ca -0.06 0.59 0.06 0.00 0.00 0.00 0.00 51.96 52.55 1g32 s ALA 104 Cb -0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 1g32 s ALA 104 CO 0.01 -0.25 -0.14 -0.51 0.00 0.00 0.00 175.76 174.87 1g32 s LEU 105 N -0.98 2.78 -0.08 0.00 1.43 0.10 -1.31 118.68 120.62 1g32 s LEU 105 Ca -0.10 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 1g32 s LEU 105 Cb -0.04 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.58 1g32 s LEU 105 CO 0.04 0.26 -0.08 -0.04 0.23 0.00 0.00 176.35 176.76 1g32 s MET 106 N -1.43 1.41 -0.20 1.70 -1.94 -0.20 0.06 119.30 118.70 1g32 s MET 106 Ca 0.15 -0.26 -0.15 0.00 -1.71 0.00 0.00 55.69 53.72 1g32 s MET 106 Cb -0.11 -1.35 -0.04 0.00 2.01 0.00 0.00 34.83 35.34 1g32 s MET 106 CO 0.06 -0.13 0.36 0.21 -0.01 0.00 0.00 175.02 175.51 1g32 s LYS 107 N 1.21 4.18 0.49 2.03 2.20 0.35 -1.21 119.74 128.99 1g32 s LYS 107 Ca -0.05 0.14 -0.19 0.00 -0.36 0.00 0.00 55.97 55.51 1g32 s LYS 107 Cb -0.14 -3.52 -0.08 0.00 -1.51 0.00 0.00 37.83 32.58 1g32 s LYS 107 CO -0.02 0.01 1.01 -0.51 -0.36 0.00 0.00 175.35 175.48 1g32 s LEU 108 N 1.15 3.78 0.25 5.43 1.43 -0.01 0.28 118.68 130.98 1g32 s LEU 108 Ca 0.18 1.77 -0.05 0.00 -1.03 0.00 0.00 54.13 55.00 1g32 s LEU 108 Cb -0.14 -4.54 0.33 0.00 0.03 0.00 0.00 46.19 41.87 1g32 s LEU 108 CO 0.07 -0.68 1.89 0.11 0.23 0.00 0.00 176.35 177.97 1g32 h LYS 109 N 1.36 1.15 -3.36 1.70 1.57 -0.72 -3.40 116.57 114.86 1g32 h LYS 109 Ca -0.48 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.09 1g32 h LYS 109 Cb 1.20 -0.26 -0.21 0.00 0.08 0.00 0.00 32.23 33.04 1g32 h LYS 109 CO 0.60 0.76 -0.43 -1.59 -0.57 0.00 0.00 179.45 178.22 1g32 s LYS 110 N -6.08 0.51 0.29 3.15 -2.85 -1.26 -4.95 119.74 108.55 1g32 s LYS 110 Ca -0.13 -0.29 -0.28 0.00 -1.00 0.00 0.00 55.97 54.27 1g32 s LYS 110 Cb 0.19 0.22 -0.14 0.00 -2.06 0.00 0.00 37.83 36.04 1g32 s LYS 110 CO 0.81 -0.13 1.05 -0.35 0.10 0.00 0.00 175.35 176.84 1g32 n PRO 111 N 1.53 1.43 -3.42 1.78 -0.04 -1.26 -4.88 135.00 130.13 1g32 n PRO 111 Ca -0.22 0.50 -0.35 0.00 -0.04 0.00 0.00 63.50 63.40 1g32 n PRO 111 Cb 0.56 -1.91 -0.06 0.00 -0.04 0.00 0.00 33.50 32.05 1g32 n PRO 111 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1g32 s VAL 112 N -0.99 4.93 -0.06 0.52 0.11 0.06 -5.00 120.40 119.97 1g32 s VAL 112 Ca 0.59 0.71 -0.22 0.00 -2.93 0.00 0.00 61.98 60.13 1g32 s VAL 112 Cb -0.69 -3.71 -0.04 0.00 -1.53 0.00 0.00 36.38 30.41 1g32 s VAL 112 CO 0.60 0.26 0.66 0.00 -3.33 0.00 0.00 175.10 173.28 1g32 s ALA 113 N -1.44 3.38 0.60 1.54 0.00 -1.26 -4.78 121.76 119.79 1g32 s ALA 113 Ca 0.36 0.08 -0.15 0.00 0.00 0.00 0.00 51.96 52.26 1g32 s ALA 113 Cb -0.15 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 1g32 s ALA 113 CO 0.19 -0.04 1.05 -0.06 0.00 0.00 0.00 175.76 176.90 1g32 s PHE 114 N 0.57 3.09 0.00 0.00 0.08 -1.26 -4.84 117.98 115.62 1g32 s PHE 114 Ca 0.35 1.49 0.00 0.00 0.12 0.00 0.00 56.93 58.89 1g32 s PHE 114 Cb -0.18 -2.95 0.00 0.00 -0.57 0.00 0.00 43.02 39.32 1g32 s PHE 114 CO 0.17 -1.02 0.00 -1.13 -0.10 0.00 0.00 175.22 173.14 1g32 n SER 115 N -2.16 0.00 0.12 1.36 3.41 -0.23 -4.92 113.62 111.19 1g32 n SER 115 Ca 0.08 -0.63 0.12 0.00 -0.26 0.00 0.00 58.87 58.18 1g32 n SER 115 Cb 0.53 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 64.95 1g32 n SER 115 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1g32 n ASP 116 N -0.85 0.61 -0.00 4.04 8.00 -1.26 -3.00 116.55 124.09 1g32 n ASP 116 Ca 0.00 0.65 0.04 0.00 0.71 0.00 0.00 54.79 56.18 1g32 n ASP 116 Cb 0.00 -0.78 -0.05 0.00 -0.02 0.00 0.00 41.12 40.28 1g32 n ASP 116 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1g32 n TYR 117 N -2.17 0.00 -3.92 1.24 4.01 -1.26 -4.67 117.16 110.39 1g32 n TYR 117 Ca 0.02 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.47 1g32 n TYR 117 Cb 0.23 -0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.10 1g32 n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1g32 s ILE 118 N -1.77 1.28 -0.27 -0.72 1.01 -1.16 -4.10 121.20 115.46 1g32 s ILE 118 Ca 0.03 -0.77 -0.23 0.00 0.00 0.00 0.00 60.65 59.68 1g32 s ILE 118 Cb 0.06 -1.44 0.08 0.00 0.01 0.00 0.00 42.46 41.18 1g32 s ILE 118 CO 0.33 0.12 0.76 -2.28 0.00 0.00 0.00 174.94 173.87 1g32 s HIS 119 N 1.55 -0.81 0.56 3.97 2.46 -0.54 -1.07 115.29 121.42 1g32 s HIS 119 Ca -0.00 1.85 -0.18 0.00 0.47 0.00 0.00 55.06 57.20 1g32 s HIS 119 Cb -0.16 0.37 -0.05 0.00 -0.13 0.00 0.00 32.58 32.61 1g32 s HIS 119 CO -0.08 -0.39 1.08 -1.25 -2.47 0.00 0.00 174.74 171.64 1g32 s PRO 120 N 0.69 3.36 0.15 2.88 0.04 -1.26 -2.40 135.00 138.46 1g32 s PRO 120 Ca -0.02 1.41 0.02 0.00 0.04 0.00 0.00 61.00 62.45 1g32 s PRO 120 Cb -0.05 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1g32 s PRO 120 CO -0.05 -0.80 0.28 0.54 0.04 0.00 0.00 177.00 177.00 1g32 s VAL 121 N -2.09 5.30 0.42 -0.36 0.11 -0.73 -4.90 120.40 118.15 1g32 s VAL 121 Ca 0.68 -0.69 -0.13 0.00 -2.93 0.00 0.00 61.98 58.91 1g32 s VAL 121 Cb -0.19 -3.72 -0.07 0.00 -1.53 0.00 0.00 36.38 30.86 1g32 s VAL 121 CO 0.30 -0.08 0.82 0.00 -3.33 0.00 0.00 175.10 172.81 1g32 s LEU 123 N -3.75 4.21 0.45 0.00 1.43 -1.26 -1.57 118.68 118.18 1g32 s LEU 123 Ca 0.54 0.37 -0.24 0.00 -1.03 0.00 0.00 54.13 53.77 1g32 s LEU 123 Cb -0.10 -2.03 -0.07 0.00 0.03 0.00 0.00 46.19 44.02 1g32 s LEU 123 CO 0.29 0.37 1.21 -2.16 0.23 0.00 0.00 176.35 176.29 1g32 s PRO 124 N -0.78 3.78 0.40 1.29 0.04 -1.26 -4.95 135.00 133.53 1g32 s PRO 124 Ca 0.13 1.91 0.05 0.00 0.04 0.00 0.00 61.00 63.14 1g32 s PRO 124 Cb -0.12 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1g32 s PRO 124 CO 0.03 -0.57 0.56 0.16 0.04 0.00 0.00 177.00 177.22 1g32 s ASP 125 N -1.15 5.79 0.24 6.66 -4.77 -1.26 -4.84 116.67 117.33 1g32 s ASP 125 Ca 0.62 -0.15 -0.07 0.00 -3.30 0.00 0.00 52.55 49.64 1g32 s ASP 125 Cb -0.32 -1.09 0.40 0.00 -1.09 0.00 0.00 42.92 40.82 1g32 s ASP 125 CO 0.40 -0.64 1.66 -0.09 0.70 0.00 0.00 175.17 177.19 1g32 h ARG 126 N 0.66 0.14 -0.51 2.11 2.43 -1.97 -2.20 114.38 115.04 1g32 h ARG 126 Ca -0.44 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 58.63 1g32 h ARG 126 Cb 1.27 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 1g32 h ARG 126 CO 0.51 0.09 -0.06 0.93 -1.51 0.00 0.00 179.97 179.94 1g32 h GLU 127 N 0.15 0.95 -0.38 0.20 3.07 -2.04 -1.46 114.58 115.06 1g32 h GLU 127 Ca 0.39 -0.33 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1g32 h GLU 127 Cb 0.67 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1g32 h GLU 127 CO -0.59 0.99 0.00 2.41 -1.40 0.00 0.00 179.01 180.43 1g32 n THR 128 N -4.24 0.02 0.00 1.13 -1.04 -0.83 -1.72 114.28 107.61 1g32 n THR 128 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1g32 n THR 128 Cb 0.36 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.72 1g32 n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1g32 n ALA 129 N 0.48 0.00 -0.05 2.41 0.00 -0.55 -1.66 120.51 121.14 1g32 n ALA 129 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1g32 n ALA 129 Cb 0.05 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.62 1g32 n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1g32 h SER 129 N 0.00 0.67 0.15 0.00 4.64 -1.60 -3.36 113.55 114.05 1g32 h SER 129 Ca 0.00 -0.25 -0.35 0.00 -0.47 0.00 0.00 61.79 60.72 1g32 h SER 129 Cb 0.00 -0.19 -0.06 0.00 -0.31 0.00 0.00 62.40 61.84 1g32 h SER 129 CO 0.00 0.91 -2.18 0.18 -0.87 0.00 0.00 176.83 174.88 1g32 n LEU 129 N -4.10 0.41 -3.48 5.97 4.77 -0.66 -4.65 117.00 115.26 1g32 n LEU 129 Ca -0.00 0.13 -0.37 0.00 -0.03 0.00 0.00 56.01 55.73 1g32 n LEU 129 Cb 0.44 0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.83 1g32 n LEU 129 CO 0.44 0.49 2.66 -0.11 -1.33 0.00 0.00 177.39 179.53 1g32 n LEU 130 N -2.87 6.24 -4.19 2.23 7.94 -1.26 -4.79 117.00 120.31 1g32 n LEU 130 Ca -0.28 -3.62 -0.24 0.00 -1.11 0.00 0.00 56.01 50.76 1g32 n LEU 130 Cb 1.12 -1.38 -0.14 0.00 0.53 0.00 0.00 43.42 43.55 1g32 n LEU 130 CO 0.43 0.88 -0.50 -1.10 -1.11 0.00 0.00 177.39 176.00 1g32 s GLN 131 N 3.43 1.26 0.21 1.96 -0.21 -1.26 -4.96 119.66 120.09 1g32 s GLN 131 Ca 0.53 -0.78 -0.32 0.00 0.02 0.00 0.00 55.36 54.81 1g32 s GLN 131 Cb 0.14 -1.30 -0.14 0.00 1.00 0.00 0.00 33.01 32.72 1g32 s GLN 131 CO -0.02 0.34 1.48 0.00 -2.12 0.00 0.00 175.29 174.97 1g32 n ALA 132 N 2.14 1.26 0.00 6.09 0.00 -1.26 -1.51 120.51 127.24 1g32 n ALA 132 Ca -0.16 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1g32 n ALA 132 Cb 0.54 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1g32 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g32 n GLY 133 N 2.67 3.01 3.74 0.00 0.00 0.15 -4.93 105.19 109.83 1g32 n GLY 133 Ca 0.14 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1g32 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1g32 s TYR 134 N -2.45 3.16 0.03 1.61 1.51 -0.57 -4.52 117.35 116.12 1g32 s TYR 134 Ca 0.00 1.19 -0.12 0.00 -1.01 0.00 0.00 57.07 57.13 1g32 s TYR 134 Cb 0.00 -3.68 -0.06 0.00 -0.11 0.00 0.00 41.96 38.12 1g32 s TYR 134 CO 0.00 -2.11 0.40 0.15 -1.11 0.00 0.00 175.55 172.88 1g32 s LYS 135 N -0.43 3.84 0.50 -0.62 1.02 -1.26 -0.70 119.74 122.09 1g32 s LYS 135 Ca 0.56 0.30 0.02 0.00 0.02 0.00 0.00 55.97 56.87 1g32 s LYS 135 Cb -0.39 -3.12 -0.01 0.00 -0.52 0.00 0.00 37.83 33.79 1g32 s LYS 135 CO 0.42 0.64 0.05 0.20 -0.92 0.00 0.00 175.35 175.73 1g32 s GLY 136 N -1.36 2.90 -0.07 -3.33 0.00 -0.23 -4.82 107.32 100.41 1g32 s GLY 136 Ca 0.27 -0.68 0.03 0.00 0.00 0.00 0.00 44.72 44.34 1g32 s GLY 136 CO 0.15 -2.16 -0.16 -1.60 0.00 0.00 0.00 173.10 169.33 1g32 s ARG 137 N -3.90 2.08 -0.04 2.90 3.52 0.14 -0.75 118.95 122.90 1g32 s ARG 137 Ca 0.12 -0.57 0.06 0.00 -0.13 0.00 0.00 55.73 55.21 1g32 s ARG 137 Cb 0.02 -1.67 -0.02 0.00 -1.56 0.00 0.00 34.95 31.72 1g32 s ARG 137 CO 0.07 0.10 -0.22 0.08 -0.81 0.00 0.00 175.30 174.52 1g32 s VAL 138 N 0.48 2.39 0.06 7.11 1.01 0.10 -0.79 120.40 130.76 1g32 s VAL 138 Ca -0.14 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 60.89 1g32 s VAL 138 Cb -0.16 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1g32 s VAL 138 CO 0.05 0.58 -0.07 0.42 0.00 0.00 0.00 175.10 176.08 1g32 s THR 139 N -0.48 0.57 0.00 3.92 -4.23 -1.24 -1.04 115.64 113.13 1g32 s THR 139 Ca 0.06 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1g32 s THR 139 Cb -0.11 -0.97 0.00 0.00 1.34 0.00 0.00 72.50 72.76 1g32 s THR 139 CO 0.01 -0.56 0.00 0.61 -0.54 0.00 0.00 174.62 174.14 1g32 n GLY 140 N 0.95 0.07 0.76 3.99 0.00 -0.65 -4.55 105.19 105.76 1g32 n GLY 140 Ca -0.19 -1.05 0.07 0.00 0.00 0.00 0.00 46.02 44.84 1g32 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1g32 n TRP 141 N -0.46 0.68 -0.99 1.61 8.01 -1.26 -0.86 117.44 124.17 1g32 n TRP 141 Ca 0.00 -0.65 -0.30 0.00 -1.31 0.00 0.00 57.50 55.24 1g32 n TRP 141 Cb 0.00 -0.15 0.25 0.00 -2.01 0.00 0.00 31.31 29.40 1g32 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1g32 s GLY 142 N -1.37 1.56 0.58 6.99 0.00 -1.25 -4.41 107.32 109.43 1g32 s GLY 142 Ca 0.31 -0.98 -0.18 0.00 0.00 0.00 0.00 44.72 43.87 1g32 s GLY 142 CO 0.13 -0.06 0.68 0.70 0.00 0.00 0.00 173.10 174.56 1g32 n ASN 143 N -4.92 -0.39 0.02 1.64 3.02 0.76 -2.34 115.26 113.05 1g32 n ASN 143 Ca 0.14 0.76 0.11 0.00 -0.03 0.00 0.00 54.58 55.56 1g32 n ASN 143 Cb 0.60 -1.25 0.08 0.00 -0.61 0.00 0.00 39.78 38.59 1g32 n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1g32 n LEU 144 N 0.04 0.63 -3.91 3.41 4.77 0.11 0.25 117.00 122.30 1g32 n LEU 144 Ca 0.12 -0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.98 1g32 n LEU 144 Cb 0.47 -0.13 -0.09 0.00 -2.33 0.00 0.00 43.42 41.34 1g32 n LEU 144 CO 0.50 0.06 -0.20 -0.54 -1.33 0.00 0.00 177.39 175.89 1g32 s LYS 145 N -3.14 0.56 0.27 3.23 1.02 -1.26 -4.24 119.74 116.19 1g32 s LYS 145 Ca 0.06 -0.65 -0.03 0.00 0.02 0.00 0.00 55.97 55.37 1g32 s LYS 145 Cb 0.15 0.23 0.36 0.00 -0.52 0.00 0.00 37.83 38.04 1g32 s LYS 145 CO 0.78 -0.14 1.87 1.49 -0.92 0.00 0.00 175.35 178.43 1g32 h GLU 146 N 3.82 1.03 -0.38 1.68 4.81 -1.91 -3.48 114.58 120.15 1g32 h GLU 146 Ca -0.32 -0.14 -0.28 0.00 -0.13 0.00 0.00 59.36 58.49 1g32 h GLU 146 Cb 1.19 -0.19 -0.19 0.00 0.63 0.00 0.00 28.75 30.19 1g32 h GLU 146 CO 0.47 0.79 -0.60 -2.37 -0.73 0.00 0.00 179.01 176.57 1g32 n THR 147 N -4.33 -0.12 0.00 0.32 5.66 -1.26 -4.96 114.28 109.60 1g32 n THR 147 Ca 0.07 -1.99 0.00 0.00 -3.05 0.00 0.00 64.05 59.08 1g32 n THR 147 Cb 0.13 0.90 0.00 0.00 -1.55 0.00 0.00 70.33 69.81 1g32 n THR 147 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1g32 n GLY 150 N 1.39 2.15 3.87 1.09 0.00 -1.26 -5.19 105.19 107.24 1g32 n GLY 150 Ca 0.11 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 1g32 n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g32 s GLN 151 N 1.84 3.71 0.63 1.61 -1.52 -1.26 0.07 119.66 124.74 1g32 s GLN 151 Ca 0.00 0.10 -0.12 0.00 -1.95 0.00 0.00 55.36 53.39 1g32 s GLN 151 Cb 0.00 -3.04 -0.03 0.00 -0.22 0.00 0.00 33.01 29.72 1g32 s GLN 151 CO 0.00 0.60 1.04 -1.25 -0.25 0.00 0.00 175.29 175.43 1g32 s PRO 152 N -1.79 3.44 0.06 2.91 0.04 -1.26 -4.92 135.00 133.47 1g32 s PRO 152 Ca 0.30 0.85 0.16 0.00 0.04 0.00 0.00 61.00 62.35 1g32 s PRO 152 Cb -0.14 -2.06 -0.14 0.00 0.04 0.00 0.00 34.50 32.20 1g32 s PRO 152 CO 0.17 -0.70 0.85 1.03 0.04 0.00 0.00 177.00 178.39 1g32 h SER 153 N -0.26 0.00 -4.38 6.66 0.87 -1.96 -3.43 113.55 111.05 1g32 h SER 153 Ca -0.44 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 59.83 1g32 h SER 153 Cb 1.20 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 63.00 1g32 h SER 153 CO 0.60 0.65 -0.72 -0.69 -0.53 0.00 0.00 176.83 176.15 1g32 s VAL 154 N -2.87 0.89 0.14 2.23 1.01 -1.26 -0.97 120.40 119.57 1g32 s VAL 154 Ca -0.03 -1.82 -0.35 0.00 0.00 0.00 0.00 61.98 59.79 1g32 s VAL 154 Cb 0.09 -1.55 -0.15 0.00 0.00 0.00 0.00 36.38 34.76 1g32 s VAL 154 CO 0.81 -0.71 1.44 -0.11 0.00 0.00 0.00 175.10 176.54 1g32 n LEU 155 N 0.21 2.46 -4.92 3.92 7.94 0.09 -4.84 117.00 121.86 1g32 n LEU 155 Ca -0.14 1.11 -0.28 0.00 -1.11 0.00 0.00 56.01 55.59 1g32 n LEU 155 Cb 0.59 -1.33 -0.04 0.00 0.53 0.00 0.00 43.42 43.18 1g32 n LEU 155 CO 0.29 -0.65 -0.13 -1.10 -1.11 0.00 0.00 177.39 174.68 1g32 s GLN 156 N 0.53 3.37 0.01 1.96 -1.52 -0.04 -0.50 119.66 123.47 1g32 s GLN 156 Ca 0.79 -0.58 0.01 0.00 -1.95 0.00 0.00 55.36 53.63 1g32 s GLN 156 Cb -0.79 -2.95 -0.01 0.00 -0.22 0.00 0.00 33.01 29.04 1g32 s GLN 156 CO 0.43 0.55 -0.03 0.54 -0.25 0.00 0.00 175.29 176.53 1g32 s VAL 157 N -1.66 0.21 -0.14 1.09 0.11 0.12 -1.64 120.40 118.49 1g32 s VAL 157 Ca 0.34 -0.38 -0.12 0.00 -2.93 0.00 0.00 61.98 58.89 1g32 s VAL 157 Cb -0.12 -0.23 0.04 0.00 -1.53 0.00 0.00 36.38 34.54 1g32 s VAL 157 CO 0.28 -0.11 0.37 0.54 -3.33 0.00 0.00 175.10 172.84 1g32 s VAL 158 N -0.50 -0.01 -0.21 2.04 0.11 -0.21 -0.39 120.40 121.24 1g32 s VAL 158 Ca -0.04 0.02 -0.10 0.00 -2.93 0.00 0.00 61.98 58.93 1g32 s VAL 158 Cb -0.04 -0.53 -0.05 0.00 -1.53 0.00 0.00 36.38 34.23 1g32 s VAL 158 CO -0.00 0.01 0.14 0.20 -3.33 0.00 0.00 175.10 172.12 1g32 s ASN 159 N 0.43 6.19 -0.01 3.54 0.01 -1.26 -0.72 114.94 123.12 1g32 s ASN 159 Ca -0.02 0.21 0.03 0.00 -0.71 0.00 0.00 52.86 52.37 1g32 s ASN 159 Cb -0.04 -2.10 -0.01 0.00 0.41 0.00 0.00 41.25 39.52 1g32 s ASN 159 CO -0.02 0.15 -0.10 -0.76 -1.51 0.00 0.00 177.10 174.86 1g32 s LEU 160 N 0.53 2.02 0.26 0.60 1.43 0.07 -4.94 118.68 118.64 1g32 s LEU 160 Ca 0.08 -0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 52.70 1g32 s LEU 160 Cb -0.12 -0.50 -0.09 0.00 0.03 0.00 0.00 46.19 45.51 1g32 s LEU 160 CO -0.00 0.12 1.00 -2.16 0.23 0.00 0.00 176.35 175.54 1g32 s PRO 161 N -0.24 4.77 0.30 1.29 0.04 -1.26 -1.07 135.00 138.84 1g32 s PRO 161 Ca 0.04 1.61 -0.29 0.00 0.04 0.00 0.00 61.00 62.39 1g32 s PRO 161 Cb -0.04 -3.24 -0.10 0.00 0.04 0.00 0.00 34.50 31.17 1g32 s PRO 161 CO -0.00 0.40 1.25 0.42 0.04 0.00 0.00 177.00 179.10 1g32 s ILE 162 N -1.18 2.99 0.05 0.56 1.01 0.12 -0.96 121.20 123.80 1g32 s ILE 162 Ca 0.42 0.97 0.03 0.00 0.00 0.00 0.00 60.65 62.08 1g32 s ILE 162 Cb -0.28 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 1g32 s ILE 162 CO 0.35 0.22 0.02 -0.69 0.00 0.00 0.00 174.94 174.85 1g32 s VAL 163 N -0.97 4.23 0.30 2.92 1.01 -0.89 0.33 120.40 127.34 1g32 s VAL 163 Ca 0.49 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 1g32 s VAL 163 Cb -0.37 -2.97 -0.12 0.00 0.00 0.00 0.00 36.38 32.92 1g32 s VAL 163 CO 0.48 0.22 1.52 -0.62 0.00 0.00 0.00 175.10 176.69 1g32 n GLU 164 N 0.85 2.53 -0.32 2.72 4.71 -1.26 -4.68 120.64 125.19 1g32 n GLU 164 Ca -0.12 0.90 0.10 0.00 -0.01 0.00 0.00 57.16 58.03 1g32 n GLU 164 Cb 0.52 -2.63 0.27 0.00 -1.01 0.00 0.00 31.44 28.59 1g32 n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1g32 h ARG 165 N 4.18 0.67 -0.65 3.49 3.08 -1.98 -0.74 114.38 122.43 1g32 h ARG 165 Ca -0.47 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 59.56 1g32 h ARG 165 Cb 1.24 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 31.10 1g32 h ARG 165 CO 0.75 0.44 0.41 -1.35 -1.07 0.00 0.00 179.97 179.14 1g32 h PRO 166 N 0.69 0.78 -0.59 0.04 0.11 -1.99 -0.53 132.00 130.51 1g32 h PRO 166 Ca 0.51 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.56 1g32 h PRO 166 Cb 0.76 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.66 1g32 h PRO 166 CO -0.37 0.52 0.30 0.28 -0.21 0.00 0.00 178.00 178.52 1g32 h VAL 167 N 0.81 1.20 -0.18 3.15 2.07 -1.55 -0.45 116.25 121.30 1g32 h VAL 167 Ca 0.26 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.25 1g32 h VAL 167 Cb -0.00 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1g32 h VAL 167 CO -0.09 0.23 0.06 0.00 0.02 0.00 0.00 177.57 177.78 1g32 h LYS 169 N 0.15 0.82 0.00 0.00 1.57 -0.88 -2.82 116.57 115.41 1g32 h LYS 169 Ca 0.08 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1g32 h LYS 169 Cb 0.05 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1g32 h LYS 169 CO -0.08 0.61 0.00 -0.25 -0.57 0.00 0.00 179.45 179.16 1g32 n ASP 170 N -4.60 0.00 -0.53 0.86 8.00 -0.20 -2.79 116.55 117.30 1g32 n ASP 170 Ca 0.04 -0.52 0.12 0.00 0.71 0.00 0.00 54.79 55.14 1g32 n ASP 170 Cb 0.07 -0.09 0.18 0.00 -0.02 0.00 0.00 41.12 41.26 1g32 n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1g32 n SER 171 N -1.09 1.92 -3.82 -2.24 3.41 -0.96 -4.98 113.62 105.87 1g32 n SER 171 Ca 0.16 -1.46 -0.10 0.00 -0.26 0.00 0.00 58.87 57.21 1g32 n SER 171 Cb 0.11 0.24 -0.05 0.00 -0.26 0.00 0.00 64.21 64.25 1g32 n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1g32 s THR 172 N -2.33 0.05 -1.77 6.66 -1.32 -1.12 -4.82 115.64 111.00 1g32 s THR 172 Ca 0.24 -1.01 0.25 0.00 -1.21 0.00 0.00 61.69 59.96 1g32 s THR 172 Cb 0.19 -1.62 0.12 0.00 -1.51 0.00 0.00 72.50 69.68 1g32 s THR 172 CO 0.47 -0.24 1.33 0.54 -2.21 0.00 0.00 174.62 174.52 1g32 n ARG 173 N -0.26 0.88 -2.60 7.08 1.74 -1.26 -4.92 116.66 117.31 1g32 n ARG 173 Ca -0.10 -0.63 -0.38 0.00 -0.77 0.00 0.00 57.85 55.97 1g32 n ARG 173 Cb 0.63 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.53 1g32 n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1g32 s ILE 174 N -2.55 3.80 -0.42 0.55 -1.09 -1.26 -5.00 121.20 115.23 1g32 s ILE 174 Ca 0.20 1.58 -0.29 0.00 -2.23 0.00 0.00 60.65 59.91 1g32 s ILE 174 Cb 0.18 -3.91 0.02 0.00 -1.58 0.00 0.00 42.46 37.17 1g32 s ILE 174 CO 0.57 0.20 1.28 -0.60 -1.23 0.00 0.00 174.94 175.17 1g32 s ARG 175 N -1.93 3.69 0.08 2.79 3.52 -1.26 -4.99 118.95 120.86 1g32 s ARG 175 Ca 0.50 0.83 -0.28 0.00 -0.13 0.00 0.00 55.73 56.65 1g32 s ARG 175 Cb -0.25 -3.95 -0.06 0.00 -1.56 0.00 0.00 34.95 29.14 1g32 s ARG 175 CO 0.31 -1.42 0.90 0.42 -0.81 0.00 0.00 175.30 174.70 1g32 s ILE 176 N 4.88 4.60 0.40 4.11 -1.09 -1.26 -4.96 121.20 127.88 1g32 s ILE 176 Ca 0.55 1.92 0.08 0.00 -2.23 0.00 0.00 60.65 60.97 1g32 s ILE 176 Cb -0.11 -4.25 -0.02 0.00 -1.58 0.00 0.00 42.46 36.49 1g32 s ILE 176 CO 0.31 0.32 0.34 0.42 -1.23 0.00 0.00 174.94 175.10 1g32 s THR 177 N 0.04 2.84 -0.76 2.92 -4.23 -1.26 -5.00 115.64 110.19 1g32 s THR 177 Ca 0.44 -1.38 0.18 0.00 -1.18 0.00 0.00 61.69 59.75 1g32 s THR 177 Cb -0.22 -3.04 0.17 0.00 1.34 0.00 0.00 72.50 70.75 1g32 s THR 177 CO 0.27 -0.04 1.56 0.47 -0.54 0.00 0.00 174.62 176.34 1g32 n ASP 178 N -1.48 0.30 -0.55 3.99 8.00 -1.26 -2.27 116.55 123.27 1g32 n ASP 178 Ca 0.02 0.58 0.05 0.00 0.71 0.00 0.00 54.79 56.15 1g32 n ASP 178 Cb 0.61 -0.64 0.15 0.00 -0.02 0.00 0.00 41.12 41.23 1g32 n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1g32 n ASN 179 N -1.83 1.60 -4.23 -2.24 3.02 -1.26 -4.85 115.26 105.47 1g32 n ASN 179 Ca 0.03 -1.98 -0.15 0.00 -0.03 0.00 0.00 54.58 52.45 1g32 n ASN 179 Cb 0.19 -0.20 -0.10 0.00 -0.61 0.00 0.00 39.78 39.06 1g32 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1g32 s MET 180 N -1.61 1.00 0.04 3.52 -1.94 -0.96 -0.54 119.30 118.81 1g32 s MET 180 Ca 0.21 -1.33 -0.12 0.00 -1.71 0.00 0.00 55.69 52.74 1g32 s MET 180 Cb 0.11 -0.66 0.01 0.00 2.01 0.00 0.00 34.83 36.31 1g32 s MET 180 CO 0.14 0.10 0.26 -0.59 -0.01 0.00 0.00 175.02 174.92 1g32 s PHE 181 N -2.86 -0.04 0.23 -0.03 -0.12 -0.30 -4.79 117.98 110.07 1g32 s PHE 181 Ca 0.12 -0.12 0.11 0.00 -0.05 0.00 0.00 56.93 56.99 1g32 s PHE 181 Cb -0.00 0.04 -0.05 0.00 -0.63 0.00 0.00 43.02 42.38 1g32 s PHE 181 CO 0.01 -0.46 -0.14 0.00 -0.05 0.00 0.00 175.22 174.57 1g32 s ALA 183 N -2.08 -0.20 0.00 0.00 0.00 -0.29 -2.09 121.76 117.10 1g32 s ALA 183 Ca 0.27 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1g32 s ALA 183 Cb -0.07 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.41 1g32 s ALA 183 CO 0.15 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1g32 n GLY 184 N 0.34 3.56 3.85 0.00 0.00 -0.13 -2.05 105.19 110.76 1g32 n GLY 184 Ca -0.17 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 43.81 1g32 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1g32 s TYR 184 N -2.10 3.40 0.41 1.61 2.02 -1.26 -4.53 117.35 116.89 1g32 s TYR 184 Ca 0.00 1.25 -0.09 0.00 -0.37 0.00 0.00 57.07 57.86 1g32 s TYR 184 Cb 0.00 -2.58 -0.06 0.00 -0.40 0.00 0.00 41.96 38.92 1g32 s TYR 184 CO 0.00 -0.03 0.75 0.15 -1.57 0.00 0.00 175.55 174.85 1g32 s LYS 185 N -3.35 3.72 0.38 -0.62 1.02 -1.26 -4.77 119.74 114.86 1g32 s LYS 185 Ca 0.55 0.37 0.18 0.00 0.02 0.00 0.00 55.97 57.09 1g32 s LYS 185 Cb -0.10 -2.41 1.12 0.00 -0.52 0.00 0.00 37.83 35.91 1g32 s LYS 185 CO 0.22 -0.04 1.73 -1.35 -0.92 0.00 0.00 175.35 174.98 1g32 h PRO 186 N 1.10 0.36 -0.01 -1.68 0.11 -1.95 0.06 132.00 129.98 1g32 h PRO 186 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1g32 h PRO 186 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1g32 h PRO 186 CO 0.64 0.24 -0.14 -0.40 -0.21 0.00 0.00 178.00 178.13 1g32 n ASP 186 N -4.74 0.86 0.00 -2.05 5.75 -1.26 -3.91 116.55 111.20 1g32 n ASP 186 Ca 0.28 -0.90 0.15 0.00 -0.01 0.00 0.00 54.79 54.30 1g32 n ASP 186 Cb 0.96 0.02 0.76 0.00 -1.03 0.00 0.00 41.12 41.83 1g32 n ASP 186 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1g32 n GLU 186 N -0.61 0.47 0.00 0.11 1.02 0.01 -4.94 120.64 116.69 1g32 n GLU 186 Ca 0.15 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1g32 n GLU 186 Cb 0.31 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1g32 n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1g32 n GLY 186 N 1.18 1.94 3.51 0.62 0.00 -1.25 -4.94 105.19 106.25 1g32 n GLY 186 Ca 0.15 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1g32 n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g32 s LYS 186 N 0.00 -0.65 0.00 1.61 1.02 -1.26 -5.06 119.74 115.40 1g32 s LYS 186 Ca 0.00 1.02 0.00 0.00 0.02 0.00 0.00 55.97 57.01 1g32 s LYS 186 Cb 0.00 -1.57 0.00 0.00 -0.52 0.00 0.00 37.83 35.74 1g32 s LYS 186 CO 0.00 -3.60 0.00 2.89 -0.92 0.00 0.00 175.35 173.72 1g32 n ARG 187 N -4.85 0.00 0.00 1.68 1.85 -1.26 -4.70 116.66 109.38 1g32 n ARG 187 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 1g32 n ARG 187 Cb 0.54 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.95 1g32 n ARG 187 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1g32 n GLY 188 N 0.00 3.79 3.61 2.89 0.00 -1.26 -4.90 105.19 109.32 1g32 n GLY 188 Ca 0.00 -1.66 -0.01 0.00 0.00 0.00 0.00 46.02 44.35 1g32 n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1g32 s ASP 189 N 0.00 -0.09 0.90 1.61 2.15 -0.78 -4.66 116.67 115.79 1g32 s ASP 189 Ca 0.00 -0.08 -0.14 0.00 0.43 0.00 0.00 52.55 52.76 1g32 s ASP 189 Cb 0.00 0.16 0.15 0.00 -0.30 0.00 0.00 42.92 42.92 1g32 s ASP 189 CO 0.00 -0.27 1.26 0.00 -0.17 0.00 0.00 175.17 175.99 1g32 s ALA 190 N -2.43 2.41 0.22 3.66 0.00 -1.26 -0.39 121.76 123.97 1g32 s ALA 190 Ca 0.12 -0.97 -0.07 0.00 0.00 0.00 0.00 51.96 51.04 1g32 s ALA 190 Cb 0.02 -2.85 0.03 0.00 0.00 0.00 0.00 23.12 20.32 1g32 s ALA 190 CO -0.04 -2.12 0.42 0.00 0.00 0.00 0.00 175.76 174.02 1g32 n GLU 192 N -0.31 2.06 0.00 0.00 2.13 -1.26 -1.01 120.64 122.25 1g32 n GLU 192 Ca -0.04 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.52 1g32 n GLU 192 Cb 0.33 -2.50 0.00 0.00 0.27 0.00 0.00 31.44 29.54 1g32 n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1g32 n GLY 193 N 3.31 1.90 0.07 8.31 0.00 -1.26 -0.17 105.19 117.34 1g32 n GLY 193 Ca 0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.25 1g32 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1g32 n ASP 194 N 0.00 0.41 -4.71 1.61 8.00 -0.18 -3.74 116.55 117.94 1g32 n ASP 194 Ca 0.00 0.17 -0.41 0.00 0.71 0.00 0.00 54.79 55.26 1g32 n ASP 194 Cb 0.00 1.06 0.01 0.00 -0.02 0.00 0.00 41.12 42.17 1g32 n ASP 194 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1g32 n SER 195 N -2.57 2.80 0.00 -2.24 3.41 -1.25 -1.43 113.62 112.33 1g32 n SER 195 Ca -0.08 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.67 1g32 n SER 195 Cb 0.70 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 1g32 n SER 195 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1g32 n GLY 196 N 0.74 2.94 3.66 5.00 0.00 -0.35 -0.76 105.19 116.42 1g32 n GLY 196 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1g32 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1g32 s GLY 197 N -2.59 1.56 0.16 -0.02 0.00 -0.52 -3.25 107.32 102.68 1g32 s GLY 197 Ca 0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 44.72 44.28 1g32 s GLY 197 CO 0.00 0.26 0.45 2.56 0.00 0.00 0.00 173.10 176.37 1g32 s PRO 198 N -4.94 3.72 -0.26 2.90 0.04 -1.26 -1.16 135.00 134.04 1g32 s PRO 198 Ca 0.66 0.11 0.01 0.00 0.04 0.00 0.00 61.00 61.82 1g32 s PRO 198 Cb -0.19 -2.80 0.05 0.00 0.04 0.00 0.00 34.50 31.60 1g32 s PRO 198 CO 0.58 0.43 -0.09 0.12 0.04 0.00 0.00 177.00 178.08 1g32 s PHE 199 N -1.67 3.20 0.32 0.56 2.19 0.07 -3.72 117.98 118.94 1g32 s PHE 199 Ca 0.42 -2.08 0.10 0.00 0.33 0.00 0.00 56.93 55.69 1g32 s PHE 199 Cb -0.12 -1.98 -0.05 0.00 -1.31 0.00 0.00 43.02 39.55 1g32 s PHE 199 CO 0.22 -0.84 -0.04 0.14 1.83 0.00 0.00 175.22 176.53 1g32 s VAL 200 N 1.18 2.64 -0.01 3.12 -7.23 0.03 -0.74 120.40 119.39 1g32 s VAL 200 Ca -0.06 -2.07 -0.02 0.00 -1.81 0.00 0.00 61.98 58.02 1g32 s VAL 200 Cb -0.19 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.05 1g32 s VAL 200 CO -0.05 -0.25 0.05 -0.04 -0.31 0.00 0.00 175.10 174.50 1g32 s MET 201 N -3.66 0.16 -0.36 4.82 -1.94 0.34 0.27 119.30 118.92 1g32 s MET 201 Ca 0.33 -0.10 -0.16 0.00 -1.71 0.00 0.00 55.69 54.06 1g32 s MET 201 Cb -0.01 0.06 -0.00 0.00 2.01 0.00 0.00 34.83 36.89 1g32 s MET 201 CO 0.18 -0.03 0.38 0.21 -0.01 0.00 0.00 175.02 175.76 1g32 s LYS 202 N -0.39 3.45 0.10 2.03 2.20 -1.26 -0.65 119.74 125.22 1g32 s LYS 202 Ca -0.05 -0.49 -0.31 0.00 -0.36 0.00 0.00 55.97 54.76 1g32 s LYS 202 Cb -0.03 -3.84 -0.09 0.00 -1.51 0.00 0.00 37.83 32.36 1g32 s LYS 202 CO 0.00 -0.60 1.71 0.45 -0.36 0.00 0.00 175.35 176.55 1g32 s SER 203 N 1.75 6.53 0.00 1.43 0.15 0.14 -4.88 113.70 118.82 1g32 s SER 203 Ca 0.12 2.61 0.28 0.00 0.70 0.00 0.00 55.95 59.66 1g32 s SER 203 Cb -0.17 -2.57 1.23 0.00 -1.71 0.00 0.00 66.02 62.81 1g32 s SER 203 CO 0.12 -0.93 1.90 -0.81 1.20 0.00 0.00 173.24 174.73 1g32 n PRO 204 N 5.41 0.08 0.10 5.44 -0.04 -1.26 -0.31 135.00 144.43 1g32 n PRO 204 Ca 0.16 0.02 -0.24 0.00 -0.04 0.00 0.00 63.50 63.41 1g32 n PRO 204 Cb 0.39 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.20 1g32 n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1g32 h PHE 204 N 0.00 0.82 0.00 0.54 0.04 -1.97 -3.40 116.94 112.97 1g32 h PHE 204 Ca 0.00 -0.60 0.00 0.00 2.80 0.00 0.00 57.97 60.17 1g32 h PHE 204 Cb 0.43 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.55 1g32 h PHE 204 CO 0.00 1.60 0.00 0.27 -0.60 0.00 0.00 178.31 179.58 1g32 n ASN 204 N -3.71 0.89 -2.47 2.17 2.04 -1.23 -5.03 115.26 107.92 1g32 n ASN 204 Ca -0.20 -1.34 -0.20 0.00 -0.44 0.00 0.00 54.58 52.40 1g32 n ASN 204 Cb 1.06 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 38.31 1g32 n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1g32 n ASN 205 N -0.17 -5.62 -4.64 0.53 4.13 0.58 -5.00 115.26 105.07 1g32 n ASN 205 Ca 0.00 -0.01 -0.29 0.00 1.68 0.00 0.00 54.58 55.96 1g32 n ASN 205 Cb 0.27 -4.67 -0.09 0.00 -1.54 0.00 0.00 39.78 33.75 1g32 n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1g32 s ARG 206 N -5.12 2.33 -0.06 3.52 0.52 -1.24 -4.87 118.95 114.03 1g32 s ARG 206 Ca 0.03 -1.01 -0.19 0.00 -0.52 0.00 0.00 55.73 54.04 1g32 s ARG 206 Cb -0.01 -2.38 -0.05 0.00 0.52 0.00 0.00 34.95 33.03 1g32 s ARG 206 CO 0.04 0.50 0.53 -1.58 0.02 0.00 0.00 175.30 174.80 1g32 s TRP 207 N -1.42 3.60 0.01 -0.53 0.52 -1.26 -0.69 118.94 119.17 1g32 s TRP 207 Ca 0.25 1.04 0.07 0.00 0.02 0.00 0.00 56.10 57.48 1g32 s TRP 207 Cb -0.11 -2.56 -0.02 0.00 -1.15 0.00 0.00 33.47 29.63 1g32 s TRP 207 CO 0.17 0.28 -0.21 0.71 0.02 0.00 0.00 176.95 177.92 1g32 s TYR 208 N 0.15 1.85 -0.45 -1.98 2.02 0.18 -2.26 117.35 116.86 1g32 s TYR 208 Ca 0.28 -0.36 -0.20 0.00 -0.37 0.00 0.00 57.07 56.42 1g32 s TYR 208 Cb -0.17 -1.15 0.03 0.00 -0.40 0.00 0.00 41.96 40.27 1g32 s TYR 208 CO 0.14 0.02 0.63 -1.14 -1.57 0.00 0.00 175.55 173.62 1g32 s GLN 209 N -0.78 3.24 -0.07 -0.62 0.74 -0.61 -0.50 119.66 121.06 1g32 s GLN 209 Ca 0.08 -0.46 0.10 0.00 0.05 0.00 0.00 55.36 55.13 1g32 s GLN 209 Cb -0.08 -3.97 -0.24 0.00 1.10 0.00 0.00 33.01 29.82 1g32 s GLN 209 CO 0.00 -1.02 0.56 -1.33 -0.55 0.00 0.00 175.29 172.95 1g32 n MET 210 N 6.21 0.66 -4.20 1.67 2.81 0.08 -4.38 117.12 119.97 1g32 n MET 210 Ca -0.03 0.27 -0.12 0.00 -1.81 0.00 0.00 57.70 56.02 1g32 n MET 210 Cb 0.48 -1.76 -0.10 0.00 -0.71 0.00 0.00 33.22 31.13 1g32 n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1g32 s GLY 211 N -5.23 1.20 -0.11 3.03 0.00 -0.72 -1.29 107.32 104.20 1g32 s GLY 211 Ca -0.08 -1.58 0.01 0.00 0.00 0.00 0.00 44.72 43.07 1g32 s GLY 211 CO 0.81 -1.43 -0.14 -0.42 0.00 0.00 0.00 173.10 171.92 1g32 s ILE 212 N -3.95 1.44 -0.24 0.90 1.01 -1.06 -0.75 121.20 118.55 1g32 s ILE 212 Ca 0.28 -0.60 -0.36 0.00 0.00 0.00 0.00 60.65 59.98 1g32 s ILE 212 Cb 0.07 -1.33 -0.13 0.00 0.01 0.00 0.00 42.46 41.08 1g32 s ILE 212 CO 0.05 0.43 1.97 0.52 0.00 0.00 0.00 174.94 177.91 1g32 n VAL 213 N 4.34 0.36 -0.01 2.92 0.31 -0.31 -0.93 118.33 125.00 1g32 n VAL 213 Ca -0.18 -0.16 -0.03 0.00 -0.01 0.00 0.00 64.34 63.96 1g32 n VAL 213 Cb 0.51 -1.63 -0.01 0.00 -0.91 0.00 0.00 33.84 31.80 1g32 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1g32 n SER 214 N 7.60 0.82 -3.96 4.52 2.88 -0.45 -1.22 113.62 123.82 1g32 n SER 214 Ca 0.31 0.13 -0.09 0.00 -1.33 0.00 0.00 58.87 57.88 1g32 n SER 214 Cb 0.23 -0.43 -0.05 0.00 -0.75 0.00 0.00 64.21 63.20 1g32 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1g32 s TRP 215 N -1.78 0.32 -0.01 0.66 1.48 -1.10 -4.91 118.94 113.60 1g32 s TRP 215 Ca -0.08 -0.67 -0.29 0.00 -1.06 0.00 0.00 56.10 53.99 1g32 s TRP 215 Cb 0.01 0.16 0.10 0.00 -1.16 0.00 0.00 33.47 32.58 1g32 s TRP 215 CO 0.13 -0.92 1.04 0.20 -4.06 0.00 0.00 176.95 173.33 1g32 s GLY 216 N -2.99 -0.36 -0.41 3.67 0.00 -1.26 -1.16 107.32 104.81 1g32 s GLY 216 Ca 0.20 0.86 -0.04 0.00 0.00 0.00 0.00 44.72 45.74 1g32 s GLY 216 CO 0.06 0.26 0.21 -0.54 0.00 0.00 0.00 173.10 173.08 1g32 s GLU 217 N -2.90 2.11 2.29 2.90 2.02 -1.26 -4.98 118.70 118.88 1g32 s GLU 217 Ca 0.09 -1.75 0.00 0.00 0.02 0.00 0.00 54.97 53.33 1g32 s GLU 217 Cb -0.00 -3.60 0.00 0.00 0.10 0.00 0.00 34.13 30.63 1g32 s GLU 217 CO -0.04 -1.04 0.00 0.41 0.02 0.00 0.00 175.26 174.60 1g32 n GLY 219 N 4.65 -1.09 3.03 -1.39 0.00 -1.26 -4.73 105.19 104.40 1g32 n GLY 219 Ca -0.04 -1.26 -0.13 0.00 0.00 0.00 0.00 46.02 44.59 1g32 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g32 n ASP 221 N 5.24 -6.16 -4.75 0.00 2.03 -1.26 -4.54 116.55 107.10 1g32 n ASP 221 Ca -0.08 -0.32 -0.40 0.00 0.52 0.00 0.00 54.79 54.51 1g32 n ASP 221 Cb 0.50 -4.96 -0.05 0.00 -0.72 0.00 0.00 41.12 35.88 1g32 n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1g32 s ARG 221 N -5.78 4.66 0.24 -0.67 0.52 -1.26 -4.94 118.95 111.72 1g32 s ARG 221 Ca 0.34 1.30 -0.31 0.00 -0.52 0.00 0.00 55.73 56.54 1g32 s ARG 221 Cb -0.15 -3.31 -0.12 0.00 0.52 0.00 0.00 34.95 31.88 1g32 s ARG 221 CO 0.42 0.41 1.63 -0.25 0.02 0.00 0.00 175.30 177.54 1g32 n ASP 222 N 2.10 3.75 0.00 0.23 8.00 -1.26 -1.32 116.55 128.04 1g32 n ASP 222 Ca -0.02 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.58 1g32 n ASP 222 Cb 0.49 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.03 1g32 n ASP 222 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1g32 n GLY 223 N 3.03 0.93 3.59 0.44 0.00 -1.26 -5.02 105.19 106.90 1g32 n GLY 223 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1g32 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g32 s LYS 224 N -0.21 2.12 0.05 1.61 -0.14 -0.44 -4.76 119.74 117.98 1g32 s LYS 224 Ca 0.00 -1.46 0.01 0.00 -1.36 0.00 0.00 55.97 53.16 1g32 s LYS 224 Cb 0.00 -2.08 -0.03 0.00 -1.68 0.00 0.00 37.83 34.04 1g32 s LYS 224 CO 0.00 0.37 -0.06 0.71 -0.76 0.00 0.00 175.35 175.61 1g32 s TYR 225 N -2.25 0.62 0.14 3.18 1.51 -1.26 -4.72 117.35 114.56 1g32 s TYR 225 Ca 0.30 -0.73 -0.26 0.00 -1.01 0.00 0.00 57.07 55.37 1g32 s TYR 225 Cb -0.07 -0.39 -0.07 0.00 -0.11 0.00 0.00 41.96 41.32 1g32 s TYR 225 CO 0.18 -0.18 0.79 0.20 -1.11 0.00 0.00 175.55 175.43 1g32 s GLY 226 N -2.22 2.91 -0.06 0.71 0.00 -0.87 -4.64 107.32 103.14 1g32 s GLY 226 Ca -0.02 0.36 -0.02 0.00 0.00 0.00 0.00 44.72 45.04 1g32 s GLY 226 CO -0.03 0.96 0.06 -1.36 0.00 0.00 0.00 173.10 172.73 1g32 s PHE 227 N -0.86 3.31 0.03 1.90 0.40 -0.31 -1.13 117.98 121.32 1g32 s PHE 227 Ca 0.37 0.27 0.05 0.00 -0.60 0.00 0.00 56.93 57.03 1g32 s PHE 227 Cb -0.23 -1.80 -0.02 0.00 0.51 0.00 0.00 43.02 41.48 1g32 s PHE 227 CO 0.26 0.56 -0.16 0.71 0.70 0.00 0.00 175.22 177.29 1g32 s TYR 228 N -1.04 1.38 0.06 0.36 1.51 0.18 -1.34 117.35 118.46 1g32 s TYR 228 Ca 0.17 -0.34 -0.31 0.00 -1.01 0.00 0.00 57.07 55.59 1g32 s TYR 228 Cb -0.12 -0.83 -0.07 0.00 -0.11 0.00 0.00 41.96 40.83 1g32 s TYR 228 CO 0.07 0.04 1.42 0.99 -1.11 0.00 0.00 175.55 176.96 1g32 s THR 229 N -0.76 3.48 -0.80 -0.71 2.01 -0.10 -1.15 115.64 117.60 1g32 s THR 229 Ca 0.04 0.97 -0.25 0.00 0.31 0.00 0.00 61.69 62.75 1g32 s THR 229 Cb -0.08 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.81 1g32 s THR 229 CO 0.01 0.03 1.61 -2.28 -0.69 0.00 0.00 174.62 173.30 1g32 s HIS 230 N 1.83 2.07 0.15 4.92 2.46 0.30 -2.55 115.29 124.47 1g32 s HIS 230 Ca 0.65 0.13 -0.18 0.00 0.47 0.00 0.00 55.06 56.13 1g32 s HIS 230 Cb -0.35 -4.38 0.03 0.00 -0.13 0.00 0.00 32.58 27.75 1g32 s HIS 230 CO 0.29 -2.04 1.69 0.28 -2.47 0.00 0.00 174.74 172.49 1g32 h VAL 231 N 6.68 0.73 -0.70 0.89 2.07 -1.50 -2.50 116.25 121.92 1g32 h VAL 231 Ca -0.09 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1g32 h VAL 231 Cb 1.06 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 1g32 h VAL 231 CO 1.28 0.01 0.47 0.15 0.02 0.00 0.00 177.57 179.49 1g32 h PHE 232 N 0.03 0.86 0.00 1.57 3.57 -1.86 -1.83 116.94 119.28 1g32 h PHE 232 Ca 0.14 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 1g32 h PHE 232 Cb 0.21 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 1g32 h PHE 232 CO -0.26 0.53 -0.01 0.00 -2.23 0.00 0.00 178.31 176.34 1g32 h ARG 233 N 0.92 0.00 -0.25 1.11 3.08 -1.83 -1.58 114.38 115.82 1g32 h ARG 233 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1g32 h ARG 233 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1g32 h ARG 233 CO -0.06 0.01 0.00 1.28 -1.07 0.00 0.00 179.97 180.13 1g32 n LEU 234 N -3.90 3.43 0.09 3.04 4.77 -0.74 -4.67 117.00 119.01 1g32 n LEU 234 Ca -0.03 -2.71 0.01 0.00 -0.03 0.00 0.00 56.01 53.26 1g32 n LEU 234 Cb 0.09 -0.43 0.34 0.00 -2.33 0.00 0.00 43.42 41.10 1g32 n LEU 234 CO 0.28 0.68 0.86 0.50 -1.33 0.00 0.00 177.39 178.38 1g32 h LYS 235 N 1.64 0.30 -0.76 3.23 3.64 -0.69 -2.63 116.57 121.30 1g32 h LYS 235 Ca 0.00 -0.08 0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1g32 h LYS 235 Cb 1.18 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.91 1g32 h LYS 235 CO 0.14 0.45 0.47 0.87 -2.27 0.00 0.00 179.45 179.11 1g32 h LYS 236 N 0.28 0.88 -0.34 1.90 6.56 -1.83 0.32 116.57 124.34 1g32 h LYS 236 Ca 0.05 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 1g32 h LYS 236 Cb 0.44 -0.20 -0.02 0.00 -0.57 0.00 0.00 32.23 31.89 1g32 h LYS 236 CO 0.03 0.58 0.18 2.35 -2.06 0.00 0.00 179.45 180.53 1g32 h TRP 237 N 0.91 0.48 -0.19 -1.35 7.01 -1.84 -1.15 115.95 119.81 1g32 h TRP 237 Ca 0.31 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.34 1g32 h TRP 237 Cb 0.06 -0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 26.93 1g32 h TRP 237 CO -0.04 0.39 -0.05 0.82 -2.79 0.00 0.00 178.44 176.78 1g32 h ILE 238 N 0.42 0.81 0.15 2.65 2.04 -0.98 -1.38 117.51 121.23 1g32 h ILE 238 Ca 0.12 -0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.99 1g32 h ILE 238 Cb 0.08 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1g32 h ILE 238 CO -0.02 0.00 -0.24 1.56 0.00 0.00 0.00 178.15 179.46 1g32 h GLN 239 N 0.00 -0.44 -0.92 2.37 4.20 -0.13 -1.81 115.11 118.39 1g32 h GLN 239 Ca 0.09 0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.85 1g32 h GLN 239 Cb 0.14 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.97 1g32 h GLN 239 CO -0.20 -0.29 0.61 1.57 -0.67 0.00 0.00 178.83 179.85 1g32 h LYS 240 N -0.45 1.19 -0.26 1.46 2.10 -0.99 -2.12 116.57 117.50 1g32 h LYS 240 Ca 0.02 -0.07 -0.04 0.00 -2.00 0.00 0.00 60.65 58.56 1g32 h LYS 240 Cb 0.46 -0.27 -0.01 0.00 -0.90 0.00 0.00 32.23 31.51 1g32 h LYS 240 CO -0.11 0.79 0.01 0.28 -2.00 0.00 0.00 179.45 178.42 1g32 h VAL 241 N 1.23 1.25 -0.90 0.07 2.07 -1.04 -1.26 116.25 117.66 1g32 h VAL 241 Ca 0.34 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1g32 h VAL 241 Cb -0.11 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1g32 h VAL 241 CO -0.08 0.27 0.55 0.40 0.02 0.00 0.00 177.57 178.73 1g32 h ILE 242 N 0.23 1.25 -0.28 4.57 2.04 -1.12 -0.43 117.51 123.78 1g32 h ILE 242 Ca 0.07 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1g32 h ILE 242 Cb 0.39 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1g32 h ILE 242 CO 0.01 0.26 0.00 -0.90 0.00 0.00 0.00 178.15 177.52 1g32 n ASP 243 N -4.40 2.30 -0.11 1.72 5.68 -0.82 -0.79 116.55 120.12 1g32 n ASP 243 Ca 0.10 -1.84 -0.19 0.00 -0.50 0.00 0.00 54.79 52.36 1g32 n ASP 243 Cb 0.05 -0.18 -0.10 0.00 -1.14 0.00 0.00 41.12 39.76 1g32 n ASP 243 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1g32 n GLN 244 N 0.74 0.54 0.00 0.11 7.27 -0.48 -4.72 117.38 120.84 1g32 n GLN 244 Ca 0.17 0.16 0.00 0.00 0.07 0.00 0.00 57.00 57.40 1g32 n GLN 244 Cb 0.42 -1.41 0.00 0.00 2.41 0.00 0.00 30.24 31.65 1g32 n GLN 244 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1g32 n PHE 245 N -3.46 0.00 -2.18 3.69 3.01 -0.23 -5.08 117.46 113.21 1g32 n PHE 245 Ca -0.42 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.03 1g32 n PHE 245 Cb 0.89 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.37 1g32 n PHE 245 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1g32 n GLY 246 N 0.54 0.63 0.00 1.37 0.00 0.03 -5.02 105.19 102.73 1g32 n GLY 246 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1g32 n GLY 246 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11