#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6n s SER -2 N 0.00 -0.43 0.27 1.61 1.04 -1.26 -5.17 113.70 109.77 3g6n s SER -2 Ca 0.00 0.34 -0.21 0.00 0.48 0.00 0.00 55.95 56.56 3g6n s SER -2 Cb 0.00 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.59 3g6n s SER -2 CO 0.00 -0.58 0.74 -1.38 0.98 0.00 0.00 173.24 173.00 3g6n s HIS -1 N -1.58 -0.18 0.32 5.02 -0.00 -1.26 -5.17 115.29 112.44 3g6n s HIS -1 Ca -0.10 -0.27 0.08 0.00 -0.00 0.00 0.00 55.06 54.77 3g6n s HIS -1 Cb -0.02 0.71 -0.04 0.00 -0.00 0.00 0.00 32.58 33.23 3g6n s HIS -1 CO 0.05 -1.21 0.14 -1.64 -0.00 0.00 0.00 174.74 172.08 3g6n s MET 0 N -3.84 2.44 -0.07 -0.38 -1.94 -1.26 -5.13 119.30 109.12 3g6n s MET 0 Ca 0.11 -1.46 0.04 0.00 -1.71 0.00 0.00 55.69 52.67 3g6n s MET 0 Cb -0.06 -2.24 0.00 0.00 2.01 0.00 0.00 34.83 34.55 3g6n s MET 0 CO 0.07 0.17 -0.20 -1.64 -0.01 0.00 0.00 175.02 173.40 3g6n s MET 1 N -3.84 2.41 0.09 2.03 1.00 -1.26 -4.93 119.30 114.80 3g6n s MET 1 Ca 0.37 -0.71 -0.30 0.00 0.00 0.00 0.00 55.69 55.04 3g6n s MET 1 Cb -0.04 -1.92 -0.06 0.00 0.00 0.00 0.00 34.83 32.81 3g6n s MET 1 CO 0.23 0.18 1.21 0.42 0.00 0.00 0.00 175.02 177.05 3g6n s ILE 2 N 0.30 3.90 0.42 2.53 1.01 -1.26 -5.03 121.20 123.07 3g6n s ILE 2 Ca -0.13 1.41 0.07 0.00 0.00 0.00 0.00 60.65 62.00 3g6n s ILE 2 Cb -0.16 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 3g6n s ILE 2 CO 0.06 0.14 0.25 0.42 0.00 0.00 0.00 174.94 175.80 3g6n s THR 3 N 0.81 2.38 0.48 2.92 -4.23 -1.26 -4.97 115.64 111.77 3g6n s THR 3 Ca 0.58 -1.58 0.20 0.00 -1.18 0.00 0.00 61.69 59.70 3g6n s THR 3 Cb -0.30 -2.96 0.25 0.00 1.34 0.00 0.00 72.50 70.82 3g6n s THR 3 CO 0.31 0.00 2.08 0.24 -0.54 0.00 0.00 174.62 176.71 3g6n h MET 4 N 1.28 0.00 0.00 3.99 0.00 -1.90 -2.48 114.93 115.83 3g6n h MET 4 Ca -0.42 0.00 -0.07 0.00 0.00 0.00 0.00 59.70 59.21 3g6n h MET 4 Cb 1.26 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.85 3g6n h MET 4 CO 0.66 0.10 -0.32 -0.44 0.00 0.00 0.00 176.91 176.91 3g6n h ASP 5 N 0.00 0.00 0.79 1.22 5.19 -1.97 -2.71 116.42 118.95 3g6n h ASP 5 Ca -0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 3g6n h ASP 5 Cb 0.21 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.72 3g6n h ASP 5 CO 0.01 0.32 -0.04 0.44 -3.12 0.00 0.00 179.24 176.85 3g6n h ASP 6 N 0.00 0.00 -3.32 6.45 3.32 -1.83 -3.42 116.42 117.62 3g6n h ASP 6 Ca -0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.45 3g6n h ASP 6 Cb 0.73 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.19 3g6n h ASP 6 CO 0.04 0.04 0.52 -0.63 -1.72 0.00 0.00 179.24 177.50 3g6n s ILE 7 N -3.79 4.76 0.69 0.35 1.01 -1.02 -4.44 121.20 118.76 3g6n s ILE 7 Ca -0.00 1.50 -0.11 0.00 0.00 0.00 0.00 60.65 62.04 3g6n s ILE 7 Cb 0.10 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.39 3g6n s ILE 7 CO 0.54 -0.20 1.06 0.27 0.00 0.00 0.00 174.94 176.61 3g6n s ILE 8 N 3.02 4.05 0.38 2.92 -4.36 0.64 -4.99 121.20 122.86 3g6n s ILE 8 Ca 0.36 0.67 0.08 0.00 -0.26 0.00 0.00 60.65 61.50 3g6n s ILE 8 Cb -0.14 -3.46 -0.04 0.00 1.25 0.00 0.00 42.46 40.06 3g6n s ILE 8 CO 0.10 -0.87 0.17 -0.13 0.24 0.00 0.00 174.94 174.45 3g6n s ARG 9 N -5.09 2.31 0.20 0.37 1.81 -1.26 -4.49 118.95 112.80 3g6n s ARG 9 Ca 0.58 -1.68 -0.32 0.00 -1.72 0.00 0.00 55.73 52.59 3g6n s ARG 9 Cb -0.13 -2.10 -0.15 0.00 -0.45 0.00 0.00 34.95 32.12 3g6n s ARG 9 CO 0.55 -0.01 1.29 -1.91 -0.68 0.00 0.00 175.30 174.54 3g6n n GLU 10 N -1.21 1.59 0.00 3.54 2.13 -0.68 -1.91 120.64 124.10 3g6n n GLU 10 Ca -0.02 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.37 3g6n n GLU 10 Cb 0.63 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 30.19 3g6n n GLU 10 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3g6n n GLY 11 N 2.13 1.30 3.69 8.31 0.00 -1.26 -5.07 105.19 114.29 3g6n n GLY 11 Ca 0.14 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3g6n n GLY 11 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3g6n s ASN 12 N -0.56 6.90 0.60 1.61 3.84 -0.80 -4.92 114.94 121.61 3g6n s ASN 12 Ca 0.00 2.05 0.30 0.00 0.21 0.00 0.00 52.86 55.41 3g6n s ASN 12 Cb 0.00 -2.56 1.63 0.00 -0.55 0.00 0.00 41.25 39.77 3g6n s ASN 12 CO 0.00 -0.68 2.02 -0.65 -2.79 0.00 0.00 177.10 174.99 3g6n h PRO 13 N 7.71 0.00 0.00 0.43 0.11 -1.97 -2.29 132.00 135.98 3g6n h PRO 13 Ca -0.37 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.71 3g6n h PRO 13 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3g6n h PRO 13 CO 0.90 0.00 -0.12 1.15 -0.21 0.00 0.00 178.00 179.71 3g6n h THR 14 N 0.00 0.86 0.00 -1.15 2.02 -1.92 -1.16 112.91 111.55 3g6n h THR 14 Ca 0.11 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.83 3g6n h THR 14 Cb 0.72 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 3g6n h THR 14 CO -0.00 0.12 0.00 -0.07 0.37 0.00 0.00 175.52 175.94 3g6n h LEU 15 N 0.00 0.00 -1.89 2.58 3.38 -1.66 -3.07 115.31 114.65 3g6n h LEU 15 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g6n h LEU 15 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3g6n h LEU 15 CO 0.02 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.09 3g6n n ARG 16 N -2.68 1.94 -2.83 1.13 5.12 -0.45 -4.02 116.66 114.87 3g6n n ARG 16 Ca 0.02 -1.80 -0.26 0.00 -1.93 0.00 0.00 57.85 53.88 3g6n n ARG 16 Cb 0.29 -1.40 -0.00 0.00 -1.16 0.00 0.00 32.46 30.19 3g6n n ARG 16 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3g6n s GLU 17 N -1.65 3.48 -0.21 5.56 2.02 -1.16 -4.51 118.70 122.23 3g6n s GLU 17 Ca 0.26 0.02 -0.21 0.00 0.02 0.00 0.00 54.97 55.06 3g6n s GLU 17 Cb 0.18 -2.45 -0.02 0.00 0.10 0.00 0.00 34.13 31.93 3g6n s GLU 17 CO 0.26 -0.14 0.64 0.08 0.02 0.00 0.00 175.26 176.11 3g6n s VAL 18 N -2.64 5.01 0.71 2.63 1.01 -1.26 -2.53 120.40 123.32 3g6n s VAL 18 Ca 0.46 1.19 -0.16 0.00 0.00 0.00 0.00 61.98 63.47 3g6n s VAL 18 Cb -0.10 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.36 3g6n s VAL 18 CO 0.42 0.09 1.21 0.00 0.00 0.00 0.00 175.10 176.83 3g6n s ALA 19 N 2.03 2.19 0.02 5.51 0.00 0.32 -4.98 121.76 126.85 3g6n s ALA 19 Ca 0.29 0.91 -0.19 0.00 0.00 0.00 0.00 51.96 52.96 3g6n s ALA 19 Cb -0.16 -3.47 -0.06 0.00 0.00 0.00 0.00 23.12 19.43 3g6n s ALA 19 CO 0.10 -1.78 0.56 0.15 0.00 0.00 0.00 175.76 174.79 3g6n s LYS 20 N -3.82 4.24 0.52 0.00 -0.14 0.31 -4.62 119.74 116.24 3g6n s LYS 20 Ca 0.75 0.69 -0.22 0.00 -1.36 0.00 0.00 55.97 55.82 3g6n s LYS 20 Cb -0.30 -3.30 -0.06 0.00 -1.68 0.00 0.00 37.83 32.49 3g6n s LYS 20 CO 0.44 0.48 1.34 -1.91 -0.76 0.00 0.00 175.35 174.93 3g6n n GLU 21 N 2.34 1.74 -3.65 1.68 2.13 -1.26 -0.84 120.64 122.78 3g6n n GLU 21 Ca -0.09 0.64 -0.26 0.00 0.66 0.00 0.00 57.16 58.11 3g6n n GLU 21 Cb 0.51 -2.54 -0.03 0.00 0.27 0.00 0.00 31.44 29.66 3g6n n GLU 21 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3g6n s VAL 22 N -1.28 5.18 0.49 6.31 -7.23 -1.26 -4.83 120.40 117.78 3g6n s VAL 22 Ca 0.69 -0.45 -0.10 0.00 -1.81 0.00 0.00 61.98 60.31 3g6n s VAL 22 Cb -0.43 -3.78 -0.05 0.00 0.56 0.00 0.00 36.38 32.68 3g6n s VAL 22 CO 0.51 -0.29 0.86 -0.44 -0.31 0.00 0.00 175.10 175.44 3g6n s SER 23 N -3.46 6.40 0.02 4.85 0.01 -1.26 -4.99 113.70 115.27 3g6n s SER 23 Ca 0.38 1.20 0.04 0.00 1.31 0.00 0.00 55.95 58.89 3g6n s SER 23 Cb -0.10 -2.36 -0.02 0.00 0.21 0.00 0.00 66.02 63.75 3g6n s SER 23 CO 0.31 -0.58 -0.12 -0.76 0.41 0.00 0.00 173.24 172.49 3g6n s LEU 24 N -4.43 2.12 0.78 2.44 1.43 -1.26 -3.56 118.68 116.20 3g6n s LEU 24 Ca 0.52 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 53.13 3g6n s LEU 24 Cb -0.10 -0.53 0.07 0.00 0.03 0.00 0.00 46.19 45.66 3g6n s LEU 24 CO 0.40 0.05 1.16 -2.16 0.23 0.00 0.00 176.35 176.03 3g6n s PRO 25 N -0.83 1.91 0.28 1.29 0.04 -1.26 -5.09 135.00 131.34 3g6n s PRO 25 Ca 0.01 1.57 -0.30 0.00 0.04 0.00 0.00 61.00 62.32 3g6n s PRO 25 Cb -0.06 -1.83 -0.12 0.00 0.04 0.00 0.00 34.50 32.53 3g6n s PRO 25 CO 0.01 -1.97 1.60 1.28 0.04 0.00 0.00 177.00 177.95 3g6n n LEU 26 N -3.25 4.21 -4.62 -3.56 4.77 -1.23 -5.00 117.00 108.31 3g6n n LEU 26 Ca 0.12 1.13 -0.29 0.00 -0.03 0.00 0.00 56.01 56.95 3g6n n LEU 26 Cb 0.51 -1.58 0.20 0.00 -2.33 0.00 0.00 43.42 40.22 3g6n n LEU 26 CO 0.49 0.11 0.61 -0.94 -1.33 0.00 0.00 177.39 176.32 3g6n s SER 27 N 0.58 2.19 0.06 -1.43 1.04 -1.26 -4.87 113.70 110.02 3g6n s SER 27 Ca 0.66 1.38 0.26 0.00 0.48 0.00 0.00 55.95 58.74 3g6n s SER 27 Cb -0.51 -2.08 0.75 0.00 0.10 0.00 0.00 66.02 64.28 3g6n s SER 27 CO 0.46 -3.43 1.61 1.21 0.98 0.00 0.00 173.24 174.08 3g6n n GLU 28 N -4.39 0.10 0.01 4.02 4.07 -1.26 -2.56 120.64 120.63 3g6n n GLU 28 Ca 0.05 0.05 -0.18 0.00 -0.06 0.00 0.00 57.16 57.01 3g6n n GLU 28 Cb 0.56 -1.58 -0.10 0.00 -0.06 0.00 0.00 31.44 30.25 3g6n n GLU 28 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 3g6n h GLU 29 N 0.00 0.57 -0.12 5.31 4.81 -1.99 -2.66 114.58 120.49 3g6n h GLU 29 Ca 0.00 -0.58 -0.09 0.00 -0.13 0.00 0.00 59.36 58.56 3g6n h GLU 29 Cb 0.59 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 3g6n h GLU 29 CO 0.00 1.20 -0.33 -0.44 -0.73 0.00 0.00 179.01 178.71 3g6n h ASP 30 N 0.16 0.25 -0.05 1.04 3.32 -1.90 -1.30 116.42 117.94 3g6n h ASP 30 Ca -0.09 -0.09 -0.24 0.00 0.02 0.00 0.00 57.03 56.63 3g6n h ASP 30 Cb 1.46 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.96 3g6n h ASP 30 CO 0.16 0.58 -0.87 0.40 -1.72 0.00 0.00 179.24 177.78 3g6n h ILE 31 N 0.22 1.29 -0.49 0.35 2.04 -1.55 -2.72 117.51 116.64 3g6n h ILE 31 Ca 0.03 -2.09 -0.05 0.00 1.00 0.00 0.00 64.86 63.75 3g6n h ILE 31 Cb 0.70 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.89 3g6n h ILE 31 CO 0.05 0.66 0.12 0.28 0.00 0.00 0.00 178.15 179.26 3g6n h SER 32 N 0.47 0.75 -0.49 1.72 0.02 -1.26 -2.87 113.55 111.88 3g6n h SER 32 Ca -0.08 -0.23 0.02 0.00 -0.84 0.00 0.00 61.79 60.66 3g6n h SER 32 Cb 1.51 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.82 3g6n h SER 32 CO 0.17 0.79 0.29 0.25 -1.14 0.00 0.00 176.83 177.19 3g6n h LEU 33 N 0.67 0.48 0.20 5.07 5.85 -1.27 -2.36 115.31 123.95 3g6n h LEU 33 Ca 0.15 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.89 3g6n h LEU 33 Cb 0.33 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3g6n h LEU 33 CO 0.00 0.34 -0.34 1.23 -0.34 0.00 0.00 178.44 179.33 3g6n h GLY 34 N 0.59 -0.71 1.82 3.75 0.00 -1.27 0.83 103.07 108.07 3g6n h GLY 34 Ca 0.19 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.93 3g6n h GLY 34 CO -0.08 -0.27 0.00 0.58 0.00 0.00 0.00 176.54 176.77 3g6n n LYS 35 N -5.44 0.14 0.13 4.80 2.85 -1.11 -1.29 118.16 118.25 3g6n n LYS 35 Ca -0.08 0.10 -0.25 0.00 -1.05 0.00 0.00 58.31 57.04 3g6n n LYS 35 Cb 0.35 -1.50 -0.16 0.00 -0.65 0.00 0.00 35.03 33.07 3g6n n LYS 35 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 3g6n h GLU 36 N 0.00 0.52 -0.26 -1.58 4.81 -0.81 -1.96 114.58 115.30 3g6n h GLU 36 Ca 0.00 -0.89 -0.09 0.00 -0.13 0.00 0.00 59.36 58.25 3g6n h GLU 36 Cb 0.31 0.33 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 3g6n h GLU 36 CO 0.00 1.42 -0.19 0.52 -0.73 0.00 0.00 179.01 180.03 3g6n h MET 37 N 0.14 0.59 -0.53 1.92 2.86 -0.21 -1.83 114.93 117.87 3g6n h MET 37 Ca -0.28 -0.29 -0.10 0.00 -2.06 0.00 0.00 59.70 56.98 3g6n h MET 37 Cb 2.16 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.80 3g6n h MET 37 CO 0.26 0.87 -0.05 1.25 1.06 0.00 0.00 176.91 180.30 3g6n h LEU 38 N 0.31 0.93 -0.98 1.22 7.12 -1.28 -2.50 115.31 120.13 3g6n h LEU 38 Ca 0.05 -0.27 -0.09 0.00 0.13 0.00 0.00 57.88 57.70 3g6n h LEU 38 Cb 0.73 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.60 3g6n h LEU 38 CO 0.05 1.01 -0.22 -0.08 -0.13 0.00 0.00 178.44 179.07 3g6n h GLU 39 N 0.86 0.47 -0.09 1.25 4.57 -1.30 -1.96 114.58 118.38 3g6n h GLU 39 Ca 0.15 -0.17 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3g6n h GLU 39 Cb 0.57 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 3g6n h GLU 39 CO 0.03 0.67 0.03 0.35 -1.18 0.00 0.00 179.01 178.92 3g6n h PHE 40 N 0.42 0.06 -0.22 0.92 3.57 -0.90 0.70 116.94 121.50 3g6n h PHE 40 Ca 0.07 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3g6n h PHE 40 Cb 0.62 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 3g6n h PHE 40 CO 0.02 0.03 0.14 -0.07 -2.23 0.00 0.00 178.31 176.20 3g6n h LEU 41 N 0.08 0.25 -0.85 0.59 3.38 -1.21 0.00 115.31 117.55 3g6n h LEU 41 Ca 0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3g6n h LEU 41 Cb 0.02 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3g6n h LEU 41 CO -0.04 0.18 0.47 0.11 0.09 0.00 0.00 178.44 179.25 3g6n h LYS 42 N 0.29 1.18 -0.42 1.13 1.57 -1.16 -2.34 116.57 116.82 3g6n h LYS 42 Ca 0.08 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 3g6n h LYS 42 Cb -0.03 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 3g6n h LYS 42 CO -0.02 0.86 -0.04 -0.91 -0.57 0.00 0.00 179.45 178.77 3g6n h ASN 43 N 1.18 0.68 1.08 0.86 2.35 -0.48 -2.72 115.58 118.52 3g6n h ASN 43 Ca 0.30 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3g6n h ASN 43 Cb 0.01 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.20 3g6n h ASN 43 CO -0.05 0.78 0.00 0.77 -1.65 0.00 0.00 177.43 177.28 3g6n h SER 44 N 0.66 0.00 0.08 5.81 4.64 -0.48 -2.80 113.55 121.46 3g6n h SER 44 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3g6n h SER 44 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3g6n h SER 44 CO 0.02 0.00 -0.70 0.00 -0.87 0.00 0.00 176.83 175.29 3g6n n GLN 45 N -2.50 0.47 -3.28 4.77 6.02 -1.00 -3.96 117.38 117.89 3g6n n GLN 45 Ca 0.03 -0.37 -0.40 0.00 -0.01 0.00 0.00 57.00 56.25 3g6n n GLN 45 Cb 0.32 -1.49 -0.08 0.00 1.02 0.00 0.00 30.24 30.00 3g6n n GLN 45 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3g6n s ASP 46 N -2.79 6.32 0.24 1.08 2.15 -1.11 -4.97 116.67 117.59 3g6n s ASP 46 Ca 0.13 0.16 -0.05 0.00 0.43 0.00 0.00 52.55 53.23 3g6n s ASP 46 Cb 0.17 -2.25 0.43 0.00 -0.30 0.00 0.00 42.92 40.96 3g6n s ASP 46 CO 0.72 -0.36 1.76 1.55 -0.17 0.00 0.00 175.17 178.67 3g6n h PRO 47 N 8.29 0.54 0.14 4.34 0.13 -1.87 0.44 132.00 144.00 3g6n h PRO 47 Ca -0.29 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 3g6n h PRO 47 Cb 1.14 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.15 3g6n h PRO 47 CO 0.72 0.35 -0.07 0.82 -0.23 0.00 0.00 178.00 179.60 3g6n h ILE 48 N 0.55 0.98 -0.32 -3.56 2.04 -1.93 -1.74 117.51 113.53 3g6n h ILE 48 Ca 0.40 -0.51 -0.12 0.00 1.00 0.00 0.00 64.86 65.63 3g6n h ILE 48 Cb 0.53 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 3g6n h ILE 48 CO -0.34 0.12 -0.30 0.11 0.00 0.00 0.00 178.15 177.74 3g6n h LYS 49 N -0.43 0.67 -0.82 2.37 1.57 -1.75 -1.39 116.57 116.79 3g6n h LYS 49 Ca -0.02 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 3g6n h LYS 49 Cb 0.34 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 3g6n h LYS 49 CO 0.03 0.89 0.37 0.00 -0.57 0.00 0.00 179.45 180.18 3g6n h ALA 50 N 1.09 1.12 -0.26 3.86 0.00 0.13 -0.70 119.26 124.50 3g6n h ALA 50 Ca 0.07 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 3g6n h ALA 50 Cb 0.80 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3g6n h ALA 50 CO 0.07 0.66 -0.59 0.93 0.00 0.00 0.00 179.25 180.31 3g6n h GLU 51 N 1.17 0.84 0.00 0.00 5.08 -1.09 0.52 114.58 121.10 3g6n h GLU 51 Ca 0.28 -0.56 -0.14 0.00 -1.00 0.00 0.00 59.36 57.94 3g6n h GLU 51 Cb 0.14 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3g6n h GLU 51 CO -0.03 1.19 -0.65 0.93 -1.00 0.00 0.00 179.01 179.45 3g6n h GLU 52 N 0.63 0.00 -0.13 2.33 4.39 -1.09 -3.21 114.58 117.49 3g6n h GLU 52 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3g6n h GLU 52 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 3g6n h GLU 52 CO 0.13 0.65 0.00 1.28 -1.16 0.00 0.00 179.01 179.90 3g6n n LEU 53 N -3.37 3.13 -3.58 1.33 4.77 -0.29 -4.99 117.00 114.00 3g6n n LEU 53 Ca 0.01 -1.14 -0.27 0.00 -0.03 0.00 0.00 56.01 54.57 3g6n n LEU 53 Cb 0.75 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 41.82 3g6n n LEU 53 CO 0.42 0.57 -0.05 1.41 -1.33 0.00 0.00 177.39 178.41 3g6n n HIS 54 N 1.39 -2.04 -4.46 -1.77 8.25 -0.51 -4.88 115.22 111.20 3g6n n HIS 54 Ca 0.16 0.56 -0.31 0.00 -0.26 0.00 0.00 57.72 57.87 3g6n n HIS 54 Cb 0.60 -3.64 -0.11 0.00 1.12 0.00 0.00 29.99 27.97 3g6n n HIS 54 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3g6n s LEU 55 N -6.23 2.97 -0.06 2.41 1.43 0.06 -4.69 118.68 114.57 3g6n s LEU 55 Ca 0.45 -0.29 -0.15 0.00 -1.03 0.00 0.00 54.13 53.11 3g6n s LEU 55 Cb -0.14 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 3g6n s LEU 55 CO 0.83 0.25 0.40 -0.13 0.23 0.00 0.00 176.35 177.93 3g6n s ARG 56 N -1.62 4.08 0.38 1.70 0.52 -1.26 -4.77 118.95 117.98 3g6n s ARG 56 Ca 0.17 0.36 -0.28 0.00 -0.52 0.00 0.00 55.73 55.47 3g6n s ARG 56 Cb -0.11 -3.31 -0.11 0.00 0.52 0.00 0.00 34.95 31.94 3g6n s ARG 56 CO 0.08 0.47 1.46 0.20 0.02 0.00 0.00 175.30 177.54 3g6n s GLY 57 N -0.35 2.95 0.03 -3.53 0.00 -1.25 -4.84 107.32 100.33 3g6n s GLY 57 Ca 0.23 1.53 -0.10 0.00 0.00 0.00 0.00 44.72 46.38 3g6n s GLY 57 CO 0.11 2.21 0.22 -0.32 0.00 0.00 0.00 173.10 175.31 3g6n s GLY 58 N -0.22 -0.00 0.00 0.20 0.00 -1.26 -4.95 107.32 101.08 3g6n s GLY 58 Ca 0.53 -0.17 0.02 0.00 0.00 0.00 0.00 44.72 45.10 3g6n s GLY 58 CO 0.61 -0.35 0.29 3.33 0.00 0.00 0.00 173.10 176.98 3g6n n VAL 59 N 0.79 0.00 -3.77 1.40 0.24 -1.26 -4.75 118.33 110.97 3g6n n VAL 59 Ca -0.19 -0.48 -0.10 0.00 -2.04 0.00 0.00 64.34 61.52 3g6n n VAL 59 Cb 0.58 1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 33.90 3g6n n VAL 59 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3g6n s GLY 60 N -0.72 -0.07 -0.27 7.63 0.00 -1.26 -1.10 107.32 111.52 3g6n s GLY 60 Ca 0.01 -0.20 -0.24 0.00 0.00 0.00 0.00 44.72 44.29 3g6n s GLY 60 CO 0.05 -0.41 0.78 -2.27 0.00 0.00 0.00 173.10 171.25 3g6n s LEU 61 N -2.39 -0.70 0.00 0.66 2.96 -0.36 -4.97 118.68 113.88 3g6n s LEU 61 Ca -0.01 1.33 0.06 0.00 -0.22 0.00 0.00 54.13 55.29 3g6n s LEU 61 Cb 0.01 2.34 -0.03 0.00 0.50 0.00 0.00 46.19 49.01 3g6n s LEU 61 CO -0.07 -0.23 -0.17 0.00 -1.32 0.00 0.00 176.35 174.57 3g6n s ALA 62 N 0.44 2.60 0.43 5.97 0.00 -1.26 -0.56 121.76 129.39 3g6n s ALA 62 Ca -0.00 -1.11 0.21 0.00 0.00 0.00 0.00 51.96 51.06 3g6n s ALA 62 Cb -0.05 -0.82 1.17 0.00 0.00 0.00 0.00 23.12 23.42 3g6n s ALA 62 CO -0.02 0.57 1.81 0.00 0.00 0.00 0.00 175.76 178.12 3g6n h ALA 63 N 4.88 2.35 0.00 0.00 0.00 -1.24 0.39 119.26 125.64 3g6n h ALA 63 Ca -0.47 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 3g6n h ALA 63 Cb 1.15 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3g6n h ALA 63 CO 0.49 -0.70 -0.00 -1.35 0.00 0.00 0.00 179.25 177.69 3g6n h PRO 64 N 0.33 0.00 0.00 0.00 0.11 -1.72 -0.28 132.00 130.45 3g6n h PRO 64 Ca 0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.65 3g6n h PRO 64 Cb 1.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.59 3g6n h PRO 64 CO -0.20 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 179.55 3g6n h GLN 65 N 0.00 0.00 -0.46 1.05 4.20 -1.22 -2.14 115.11 116.55 3g6n h GLN 65 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3g6n h GLN 65 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3g6n h GLN 65 CO 0.00 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.44 3g6n n LEU 66 N -2.54 3.58 -0.36 1.46 4.77 -0.18 -0.26 117.00 123.46 3g6n n LEU 66 Ca 0.04 -1.61 -0.04 0.00 -0.03 0.00 0.00 56.01 54.37 3g6n n LEU 66 Cb 0.38 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 3g6n n LEU 66 CO 0.28 0.80 -0.04 -0.67 -1.33 0.00 0.00 177.39 176.42 3g6n n ASP 67 N 1.53 -2.41 -4.07 -1.43 -0.08 -0.80 -4.88 116.55 104.40 3g6n n ASP 67 Ca 0.20 0.03 -0.33 0.00 -1.51 0.00 0.00 54.79 53.18 3g6n n ASP 67 Cb 0.61 -1.26 -0.14 0.00 2.34 0.00 0.00 41.12 42.67 3g6n n ASP 67 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3g6n s ILE 68 N -2.16 2.57 -0.68 5.18 1.01 -0.83 -4.98 121.20 121.31 3g6n s ILE 68 Ca 0.00 -2.02 -0.04 0.00 0.00 0.00 0.00 60.65 58.59 3g6n s ILE 68 Cb 0.00 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 3g6n s ILE 68 CO 0.00 -0.44 1.84 -0.24 0.00 0.00 0.00 174.94 176.09 3g6n n SER 69 N 4.41 3.69 -4.22 3.58 2.88 -1.26 -2.58 113.62 120.12 3g6n n SER 69 Ca -0.03 -2.23 -0.27 0.00 -1.33 0.00 0.00 58.87 55.01 3g6n n SER 69 Cb 0.42 -0.94 -0.15 0.00 -0.75 0.00 0.00 64.21 62.79 3g6n n SER 69 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3g6n s LYS 70 N 3.76 1.60 -0.90 -1.46 1.02 -1.26 -0.53 119.74 121.97 3g6n s LYS 70 Ca 0.30 -0.75 -0.21 0.00 0.02 0.00 0.00 55.97 55.32 3g6n s LYS 70 Cb 0.08 -1.57 -0.13 0.00 -0.52 0.00 0.00 37.83 35.69 3g6n s LYS 70 CO -0.02 0.43 1.95 0.54 -0.92 0.00 0.00 175.35 177.32 3g6n n ARG 71 N 2.48 1.68 -4.16 1.68 1.74 -0.02 -4.41 116.66 115.65 3g6n n ARG 71 Ca -0.15 -2.03 -0.21 0.00 -0.77 0.00 0.00 57.85 54.69 3g6n n ARG 71 Cb 0.53 -3.07 -0.16 0.00 -1.02 0.00 0.00 32.46 28.73 3g6n n ARG 71 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3g6n s ILE 72 N 5.63 0.57 0.11 0.55 1.01 -1.26 -0.94 121.20 126.87 3g6n s ILE 72 Ca 0.58 -0.13 0.04 0.00 0.00 0.00 0.00 60.65 61.14 3g6n s ILE 72 Cb 0.12 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 3g6n s ILE 72 CO 0.10 0.24 -0.11 0.27 0.00 0.00 0.00 174.94 175.44 3g6n s ILE 73 N 0.99 1.02 0.03 2.92 -4.36 -0.62 -0.93 121.20 120.24 3g6n s ILE 73 Ca -0.10 -1.69 0.04 0.00 -0.26 0.00 0.00 60.65 58.64 3g6n s ILE 73 Cb -0.14 -1.43 -0.02 0.00 1.25 0.00 0.00 42.46 42.11 3g6n s ILE 73 CO -0.00 -0.56 -0.13 0.00 0.24 0.00 0.00 174.94 174.49 3g6n s ALA 74 N -2.49 1.04 -0.09 2.27 0.00 0.28 0.22 121.76 122.99 3g6n s ALA 74 Ca 0.07 -0.75 -0.06 0.00 0.00 0.00 0.00 51.96 51.23 3g6n s ALA 74 Cb -0.03 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 22.97 3g6n s ALA 74 CO 0.00 0.19 0.21 0.14 0.00 0.00 0.00 175.76 176.31 3g6n s VAL 75 N -0.80 -0.02 -0.37 0.00 -7.23 -0.49 -1.22 120.40 110.26 3g6n s VAL 75 Ca 0.01 0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.27 3g6n s VAL 75 Cb -0.07 -0.32 0.13 0.00 0.56 0.00 0.00 36.38 36.68 3g6n s VAL 75 CO 0.01 0.04 0.21 -2.28 -0.31 0.00 0.00 175.10 172.76 3g6n s HIS 76 N 0.75 1.19 -0.47 2.82 2.46 -0.26 -1.15 115.29 120.62 3g6n s HIS 76 Ca -0.05 -1.86 -0.14 0.00 0.47 0.00 0.00 55.06 53.48 3g6n s HIS 76 Cb -0.07 -1.30 0.08 0.00 -0.13 0.00 0.00 32.58 31.17 3g6n s HIS 76 CO -0.04 -0.82 0.38 0.08 -2.47 0.00 0.00 174.74 171.87 3g6n s VAL 77 N 0.92 4.99 0.60 0.89 1.01 0.13 -4.62 120.40 124.32 3g6n s VAL 77 Ca 0.17 -1.21 -0.18 0.00 0.00 0.00 0.00 61.98 60.76 3g6n s VAL 77 Cb -0.23 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 3g6n s VAL 77 CO -0.03 -0.61 1.16 -2.16 0.00 0.00 0.00 175.10 173.47 3g6n s PRO 78 N 1.58 2.98 0.47 2.72 0.04 -1.26 -3.35 135.00 138.18 3g6n s PRO 78 Ca 0.04 1.67 0.27 0.00 0.04 0.00 0.00 61.00 63.01 3g6n s PRO 78 Cb -0.25 -1.95 0.97 0.00 0.04 0.00 0.00 34.50 33.31 3g6n s PRO 78 CO 0.05 -1.16 1.84 1.03 0.04 0.00 0.00 177.00 178.80 3g6n h SER 79 N 0.72 0.00 0.00 6.66 0.87 -2.08 -3.49 113.55 116.23 3g6n h SER 79 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 3g6n h SER 79 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 3g6n h SER 79 CO 0.55 0.14 0.00 -1.54 -0.53 0.00 0.00 176.83 175.45 3g6n n SER 88 N -3.25 0.00 -3.28 6.23 3.41 -1.24 -5.27 113.62 110.22 3g6n n SER 88 Ca 0.01 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 3g6n n SER 88 Cb 0.41 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 3g6n n SER 88 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3g6n s LEU 89 N 0.00 -0.93 -0.19 1.04 2.96 -1.21 -5.03 118.68 115.32 3g6n s LEU 89 Ca 0.00 0.07 -0.04 0.00 -0.22 0.00 0.00 54.13 53.94 3g6n s LEU 89 Cb 0.00 1.38 0.08 0.00 0.50 0.00 0.00 46.19 48.15 3g6n s LEU 89 CO 0.00 -0.32 0.16 -0.55 -1.32 0.00 0.00 176.35 174.33 3g6n s SER 90 N 2.63 1.83 0.08 3.68 0.15 -1.24 0.19 113.70 121.00 3g6n s SER 90 Ca 0.12 -0.41 -0.27 0.00 0.70 0.00 0.00 55.95 56.09 3g6n s SER 90 Cb -0.13 0.10 0.09 0.00 -1.71 0.00 0.00 66.02 64.36 3g6n s SER 90 CO -0.24 -0.34 1.07 0.28 1.20 0.00 0.00 173.24 175.22 3g6n s THR 91 N 2.24 0.00 -0.09 6.45 -1.32 -0.30 -5.00 115.64 117.61 3g6n s THR 91 Ca 0.05 -0.46 0.02 0.00 -1.21 0.00 0.00 61.69 60.09 3g6n s THR 91 Cb -0.16 -1.90 -0.02 0.00 -1.51 0.00 0.00 72.50 68.92 3g6n s THR 91 CO -0.11 0.00 -0.16 -0.69 -2.21 0.00 0.00 174.62 171.45 3g6n s VAL 92 N -2.97 2.85 -0.16 5.08 1.01 -1.26 -1.40 120.40 123.55 3g6n s VAL 92 Ca 0.12 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 3g6n s VAL 92 Cb 0.01 -2.14 -0.00 0.00 0.00 0.00 0.00 36.38 34.24 3g6n s VAL 92 CO -0.01 0.56 -0.14 -0.04 0.00 0.00 0.00 175.10 175.47 3g6n s MET 93 N -0.08 3.25 -0.19 2.72 -1.94 0.13 -4.57 119.30 118.62 3g6n s MET 93 Ca -0.03 -0.73 -0.08 0.00 -1.71 0.00 0.00 55.69 53.14 3g6n s MET 93 Cb -0.14 -2.67 -0.04 0.00 2.01 0.00 0.00 34.83 33.99 3g6n s MET 93 CO 0.04 0.01 0.09 0.71 -0.01 0.00 0.00 175.02 175.85 3g6n s TYR 94 N 0.86 3.29 -1.35 -0.03 1.51 0.34 -1.59 117.35 120.37 3g6n s TYR 94 Ca -0.04 0.14 -0.03 0.00 -1.01 0.00 0.00 57.07 56.12 3g6n s TYR 94 Cb -0.15 -2.12 0.02 0.00 -0.11 0.00 0.00 41.96 39.60 3g6n s TYR 94 CO -0.00 0.16 0.77 0.09 -1.11 0.00 0.00 175.55 175.46 3g6n n ASN 95 N 3.64 -2.04 -4.76 2.29 3.02 -0.12 -1.79 115.26 115.50 3g6n n ASN 95 Ca -0.16 -0.80 -0.39 0.00 -0.03 0.00 0.00 54.58 53.19 3g6n n ASN 95 Cb 0.52 -4.07 0.02 0.00 -0.61 0.00 0.00 39.78 35.64 3g6n n ASN 95 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3g6n s PRO 96 N -6.11 3.66 -0.06 3.52 0.04 -1.26 -4.68 135.00 130.10 3g6n s PRO 96 Ca 0.15 2.32 -0.04 0.00 0.04 0.00 0.00 61.00 63.47 3g6n s PRO 96 Cb -0.07 -2.61 0.03 0.00 0.04 0.00 0.00 34.50 31.89 3g6n s PRO 96 CO 0.81 -0.80 0.15 0.21 0.04 0.00 0.00 177.00 177.41 3g6n s LYS 97 N -2.49 0.12 -0.41 4.56 2.20 -0.32 -4.99 119.74 118.40 3g6n s LYS 97 Ca 0.62 0.33 -0.23 0.00 -0.36 0.00 0.00 55.97 56.33 3g6n s LYS 97 Cb -0.42 -0.11 0.02 0.00 -1.51 0.00 0.00 37.83 35.82 3g6n s LYS 97 CO 0.53 -0.13 0.79 0.42 -0.36 0.00 0.00 175.35 176.60 3g6n s ILE 98 N 0.89 4.67 0.03 5.43 1.01 -1.26 -1.13 121.20 130.84 3g6n s ILE 98 Ca -0.07 0.64 0.01 0.00 0.00 0.00 0.00 60.65 61.24 3g6n s ILE 98 Cb -0.09 -4.28 -0.25 0.00 0.01 0.00 0.00 42.46 37.85 3g6n s ILE 98 CO -0.04 -0.60 0.97 -0.07 0.00 0.00 0.00 174.94 175.19 3g6n h LEU 99 N 9.99 0.24 -7.39 2.97 3.38 -1.43 -3.48 115.31 119.59 3g6n h LEU 99 Ca -0.25 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.35 3g6n h LEU 99 Cb 1.09 -0.08 -0.13 0.00 0.09 0.00 0.00 40.66 41.63 3g6n h LEU 99 CO 0.94 1.26 -0.07 -0.55 0.09 0.00 0.00 178.44 180.12 3g6n s SER 100 N -6.81 -0.24 -0.03 -0.43 0.15 -1.21 -4.99 113.70 100.15 3g6n s SER 100 Ca -0.05 -0.31 -0.17 0.00 0.70 0.00 0.00 55.95 56.12 3g6n s SER 100 Cb 0.08 0.47 0.03 0.00 -1.71 0.00 0.00 66.02 64.89 3g6n s SER 100 CO 0.84 -0.85 0.36 -1.38 1.20 0.00 0.00 173.24 173.41 3g6n s HIS 101 N -3.79 -0.26 0.78 3.44 -3.43 -1.26 -0.71 115.29 110.06 3g6n s HIS 101 Ca 0.03 0.43 -0.11 0.00 -0.80 0.00 0.00 55.06 54.61 3g6n s HIS 101 Cb 0.02 0.14 0.06 0.00 -1.43 0.00 0.00 32.58 31.37 3g6n s HIS 101 CO -0.12 -0.40 1.08 -1.54 -2.00 0.00 0.00 174.74 171.77 3g6n s SER 102 N -1.18 4.50 0.11 7.38 1.04 -0.16 -4.97 113.70 120.42 3g6n s SER 102 Ca -0.12 1.65 -0.13 0.00 0.48 0.00 0.00 55.95 57.83 3g6n s SER 102 Cb -0.04 -2.39 -0.11 0.00 0.10 0.00 0.00 66.02 63.58 3g6n s SER 102 CO 0.05 -2.01 1.38 0.58 0.98 0.00 0.00 173.24 174.21 3g6n h VAL 103 N -1.11 1.29 -3.89 5.02 2.07 -2.01 -3.43 116.25 114.18 3g6n h VAL 103 Ca -0.45 -1.71 -0.52 0.00 0.82 0.00 0.00 66.70 64.83 3g6n h VAL 103 Cb 1.24 1.72 0.07 0.00 -1.52 0.00 0.00 31.29 32.80 3g6n h VAL 103 CO 0.54 0.55 0.64 -1.58 0.02 0.00 0.00 177.57 177.74 3g6n s GLN 104 N -4.08 4.33 0.37 1.57 0.74 -1.26 -4.91 119.66 116.41 3g6n s GLN 104 Ca -0.11 2.22 0.08 0.00 0.05 0.00 0.00 55.36 57.59 3g6n s GLN 104 Cb 0.09 -3.05 -0.03 0.00 1.10 0.00 0.00 33.01 31.12 3g6n s GLN 104 CO 0.87 -0.21 0.27 -0.51 -0.55 0.00 0.00 175.29 175.16 3g6n s ASP 105 N -0.50 4.98 0.23 6.67 1.01 -1.26 -0.09 116.67 127.71 3g6n s ASP 105 Ca 0.49 -0.69 -0.14 0.00 0.71 0.00 0.00 52.55 52.92 3g6n s ASP 105 Cb -0.40 -0.75 0.01 0.00 1.01 0.00 0.00 42.92 42.79 3g6n s ASP 105 CO 0.53 -0.44 0.48 0.00 0.21 0.00 0.00 175.17 175.95 3g6n s ALA 106 N -2.41 -0.48 0.14 5.23 0.00 0.10 -1.67 121.76 122.67 3g6n s ALA 106 Ca 0.42 -0.66 -0.22 0.00 0.00 0.00 0.00 51.96 51.50 3g6n s ALA 106 Cb -0.03 0.96 0.06 0.00 0.00 0.00 0.00 23.12 24.11 3g6n s ALA 106 CO 0.25 -0.83 0.56 0.00 0.00 0.00 0.00 175.76 175.75 3g6n s LEU 108 N -2.65 4.12 0.18 0.00 1.43 -1.26 0.10 118.68 120.60 3g6n s LEU 108 Ca 0.00 0.79 -0.14 0.00 -1.03 0.00 0.00 54.13 53.76 3g6n s LEU 108 Cb -0.00 -2.87 0.11 0.00 0.03 0.00 0.00 46.19 43.46 3g6n s LEU 108 CO -0.11 -0.29 1.81 1.23 0.23 0.00 0.00 176.35 179.21 3g6n h GLY 109 N 8.35 0.72 1.65 -3.19 0.00 -1.30 -1.16 103.07 108.13 3g6n h GLY 109 Ca -0.30 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3g6n h GLY 109 CO 0.77 0.17 0.00 1.18 0.00 0.00 0.00 176.54 178.66 3g6n n GLU 110 N -4.82 0.20 0.00 4.80 -0.58 -1.26 -4.98 120.64 113.99 3g6n n GLU 110 Ca 0.04 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 3g6n n GLU 110 Cb 0.09 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 3g6n n GLU 110 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3g6n n GLY 111 N 0.18 -0.91 3.90 0.62 0.00 -0.44 -4.98 105.19 103.55 3g6n n GLY 111 Ca 0.07 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 3g6n n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g6n s GLU 112 N -2.42 3.67 0.50 1.61 2.02 -1.26 -4.90 118.70 117.93 3g6n s GLU 112 Ca 0.00 0.09 0.06 0.00 0.02 0.00 0.00 54.97 55.14 3g6n s GLU 112 Cb 0.00 -2.63 0.02 0.00 0.10 0.00 0.00 34.13 31.62 3g6n s GLU 112 CO 0.00 0.22 0.38 0.20 0.02 0.00 0.00 175.26 176.08 3g6n s GLY 113 N -3.01 2.31 -0.30 -1.39 0.00 -1.26 -4.99 107.32 98.68 3g6n s GLY 113 Ca 0.45 -1.50 -0.08 0.00 0.00 0.00 0.00 44.72 43.59 3g6n s GLY 113 CO 0.28 -1.89 0.90 0.00 0.00 0.00 0.00 173.10 172.40 3g6n h LEU 115 N 7.92 0.00 0.00 0.00 -0.00 -1.93 0.42 115.31 121.73 3g6n h LEU 115 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 3g6n h LEU 115 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 3g6n h LEU 115 CO 0.02 0.00 -0.42 0.28 -0.00 0.00 0.00 178.44 178.32 3g6n h SER 116 N 0.00 0.00 -3.61 -0.43 0.02 -1.95 -3.45 113.55 104.14 3g6n h SER 116 Ca 0.16 -0.01 -0.64 0.00 -0.84 0.00 0.00 61.79 60.46 3g6n h SER 116 Cb 1.34 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.68 3g6n h SER 116 CO -0.00 0.00 -0.59 -0.69 -1.14 0.00 0.00 176.83 174.41 3g6n s VAL 117 N -3.26 4.63 -1.69 2.27 1.01 0.15 -1.69 120.40 121.82 3g6n s VAL 117 Ca 0.04 -0.07 0.21 0.00 0.00 0.00 0.00 61.98 62.16 3g6n s VAL 117 Cb 0.07 -3.16 -0.06 0.00 0.00 0.00 0.00 36.38 33.24 3g6n s VAL 117 CO 0.72 0.35 1.00 0.47 0.00 0.00 0.00 175.10 177.63 3g6n n ASP 118 N 4.61 1.71 -4.96 3.32 8.00 -1.26 -4.68 116.55 123.28 3g6n n ASP 118 Ca -0.16 -1.36 -0.22 0.00 0.71 0.00 0.00 54.79 53.77 3g6n n ASP 118 Cb 0.52 0.61 -0.02 0.00 -0.02 0.00 0.00 41.12 42.20 3g6n n ASP 118 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g6n s ARG 119 N -2.50 3.44 0.04 -1.24 1.70 -1.26 -5.09 118.95 114.05 3g6n s ARG 119 Ca 0.15 -0.71 -0.15 0.00 -0.47 0.00 0.00 55.73 54.55 3g6n s ARG 119 Cb 0.17 -2.88 -0.06 0.00 -0.57 0.00 0.00 34.95 31.60 3g6n s ARG 119 CO 0.61 0.42 0.46 -2.00 -1.08 0.00 0.00 175.30 173.71 3g6n s GLU 120 N -3.90 3.96 -0.29 3.89 -6.30 -1.26 -5.06 118.70 109.74 3g6n s GLU 120 Ca 0.34 0.46 -0.01 0.00 -2.50 0.00 0.00 54.97 53.27 3g6n s GLU 120 Cb -0.09 -3.16 0.09 0.00 0.00 0.00 0.00 34.13 30.97 3g6n s GLU 120 CO 0.29 0.64 0.08 0.08 0.02 0.00 0.00 175.26 176.37 3g6n s VAL 121 N -1.18 0.95 0.68 3.70 1.01 -1.26 -5.13 120.40 119.17 3g6n s VAL 121 Ca 0.28 -1.34 -0.15 0.00 0.00 0.00 0.00 61.98 60.77 3g6n s VAL 121 Cb -0.17 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.57 3g6n s VAL 121 CO 0.16 -0.58 1.14 -2.16 0.00 0.00 0.00 175.10 173.66 3g6n s PRO 122 N 1.59 2.61 0.00 2.72 0.04 -1.26 -4.95 135.00 135.76 3g6n s PRO 122 Ca 0.08 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.64 3g6n s PRO 122 Cb -0.17 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.45 3g6n s PRO 122 CO -0.21 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 175.82 3g6n n GLY 123 N -0.17 0.79 3.31 0.56 0.00 -1.26 -4.87 105.19 103.54 3g6n n GLY 123 Ca 0.11 -2.17 -0.30 0.00 0.00 0.00 0.00 46.02 43.67 3g6n n GLY 123 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g6n s TYR 124 N -0.92 2.24 -0.34 1.61 4.12 -0.43 -4.62 117.35 119.01 3g6n s TYR 124 Ca 0.00 -0.42 -0.05 0.00 0.02 0.00 0.00 57.07 56.62 3g6n s TYR 124 Cb 0.00 -1.41 0.05 0.00 -1.52 0.00 0.00 41.96 39.08 3g6n s TYR 124 CO 0.00 0.01 0.10 0.08 0.02 0.00 0.00 175.55 175.76 3g6n s VAL 125 N -0.65 3.57 -0.17 0.71 1.01 -1.26 -4.64 120.40 118.96 3g6n s VAL 125 Ca 0.10 -1.29 -0.28 0.00 0.00 0.00 0.00 61.98 60.51 3g6n s VAL 125 Cb -0.10 -3.08 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 3g6n s VAL 125 CO -0.00 -0.23 0.97 -0.69 0.00 0.00 0.00 175.10 175.16 3g6n s VAL 126 N 1.34 4.77 0.50 2.92 1.01 -1.26 -4.47 120.40 125.21 3g6n s VAL 126 Ca -0.01 1.93 0.01 0.00 0.00 0.00 0.00 61.98 63.91 3g6n s VAL 126 Cb -0.20 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 31.90 3g6n s VAL 126 CO 0.01 -0.06 0.03 -0.13 0.00 0.00 0.00 175.10 174.94 3g6n s ARG 127 N 2.53 2.16 0.13 2.72 1.81 0.19 -4.94 118.95 123.55 3g6n s ARG 127 Ca 0.44 -2.38 -0.30 0.00 -1.72 0.00 0.00 55.73 51.77 3g6n s ARG 127 Cb -0.17 -1.35 -0.06 0.00 -0.45 0.00 0.00 34.95 32.92 3g6n s ARG 127 CO 0.12 -0.40 0.97 -1.01 -0.68 0.00 0.00 175.30 174.30 3g6n s HIS 128 N -2.94 3.82 0.22 -0.53 3.76 -1.26 -0.72 115.29 117.64 3g6n s HIS 128 Ca 0.08 1.80 -0.09 0.00 -0.15 0.00 0.00 55.06 56.71 3g6n s HIS 128 Cb 0.01 -3.06 0.19 0.00 1.11 0.00 0.00 32.58 30.83 3g6n s HIS 128 CO 0.05 0.19 1.87 0.00 -0.85 0.00 0.00 174.74 175.99 3g6n h ALA 129 N 5.35 1.06 -3.35 -1.40 0.00 -0.73 -3.42 119.26 116.77 3g6n h ALA 129 Ca -0.43 -0.09 -0.31 0.00 0.00 0.00 0.00 54.91 54.08 3g6n h ALA 129 Cb 1.21 -0.34 -0.23 0.00 0.00 0.00 0.00 17.79 18.44 3g6n h ALA 129 CO 0.71 0.52 -0.75 0.15 0.00 0.00 0.00 179.25 179.88 3g6n s LYS 130 N -6.00 0.57 0.03 0.00 1.02 -1.26 -1.56 119.74 112.55 3g6n s LYS 130 Ca -0.13 -0.69 -0.03 0.00 0.02 0.00 0.00 55.97 55.14 3g6n s LYS 130 Cb 0.16 -0.42 -0.02 0.00 -0.52 0.00 0.00 37.83 37.03 3g6n s LYS 130 CO 0.80 0.09 0.04 0.96 -0.92 0.00 0.00 175.35 176.32 3g6n s ILE 131 N -1.13 0.14 -0.18 2.17 -4.36 -0.42 -0.98 121.20 116.45 3g6n s ILE 131 Ca -0.06 -1.16 -0.02 0.00 -0.26 0.00 0.00 60.65 59.15 3g6n s ILE 131 Cb -0.09 -0.83 -0.01 0.00 1.25 0.00 0.00 42.46 42.78 3g6n s ILE 131 CO 0.01 -0.64 -0.10 -0.89 0.24 0.00 0.00 174.94 173.55 3g6n s THR 132 N -2.51 3.05 0.02 8.37 2.01 0.11 -0.84 115.64 125.85 3g6n s THR 132 Ca -0.06 -0.63 0.08 0.00 0.31 0.00 0.00 61.69 61.40 3g6n s THR 132 Cb -0.02 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 3g6n s THR 132 CO -0.04 0.48 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.44 3g6n s VAL 133 N 0.97 2.28 0.04 3.82 1.01 -0.10 -0.99 120.40 127.44 3g6n s VAL 133 Ca -0.01 -1.26 0.06 0.00 0.00 0.00 0.00 61.98 60.77 3g6n s VAL 133 Cb -0.15 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3g6n s VAL 133 CO -0.01 0.42 -0.14 -0.94 0.00 0.00 0.00 175.10 174.43 3g6n s SER 134 N -1.10 4.08 0.09 3.32 1.04 -0.28 -1.44 113.70 119.41 3g6n s SER 134 Ca 0.12 -0.36 -0.27 0.00 0.48 0.00 0.00 55.95 55.92 3g6n s SER 134 Cb -0.10 -0.75 0.08 0.00 0.10 0.00 0.00 66.02 65.35 3g6n s SER 134 CO 0.02 0.25 1.07 -0.72 0.98 0.00 0.00 173.24 174.83 3g6n s TYR 135 N -0.99 -0.11 0.04 5.02 -0.85 -0.89 -1.18 117.35 118.40 3g6n s TYR 135 Ca 0.16 -0.12 0.06 0.00 -0.52 0.00 0.00 57.07 56.65 3g6n s TYR 135 Cb -0.11 0.60 -0.03 0.00 0.38 0.00 0.00 41.96 42.80 3g6n s TYR 135 CO 0.07 -0.63 -0.15 0.71 -1.52 0.00 0.00 175.55 174.03 3g6n s TYR 136 N -2.99 2.65 0.56 -3.49 1.51 -0.74 -0.04 117.35 114.80 3g6n s TYR 136 Ca 0.13 -0.20 0.06 0.00 -1.01 0.00 0.00 57.07 56.04 3g6n s TYR 136 Cb 0.01 -1.49 0.10 0.00 -0.11 0.00 0.00 41.96 40.47 3g6n s TYR 136 CO -0.00 0.30 0.77 -0.40 -1.11 0.00 0.00 175.55 175.11 3g6n n ASP 137 N 1.45 1.66 0.26 2.29 5.68 -0.39 -0.51 116.55 126.99 3g6n n ASP 137 Ca -0.16 -2.25 0.18 0.00 -0.50 0.00 0.00 54.79 52.06 3g6n n ASP 137 Cb 0.52 -0.44 0.88 0.00 -1.14 0.00 0.00 41.12 40.94 3g6n n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3g6n h MET 138 N 0.00 0.00 -0.64 0.11 2.86 -1.90 0.10 114.93 115.46 3g6n h MET 138 Ca -0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3g6n h MET 138 Cb 1.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.76 3g6n h MET 138 CO 0.33 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.39 3g6n n ASN 139 N -3.33 3.80 0.00 1.22 3.02 -1.26 -4.88 115.26 113.83 3g6n n ASN 139 Ca 0.00 -2.42 0.00 0.00 -0.03 0.00 0.00 54.58 52.13 3g6n n ASN 139 Cb 0.35 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 3g6n n ASN 139 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g6n n GLY 140 N 0.76 0.85 3.75 7.41 0.00 0.35 -4.96 105.19 113.35 3g6n n GLY 140 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3g6n n GLY 140 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3g6n s GLU 141 N -0.29 4.35 0.09 1.61 2.12 -1.26 -4.68 118.70 120.65 3g6n s GLU 141 Ca 0.00 2.18 -0.18 0.00 0.36 0.00 0.00 54.97 57.33 3g6n s GLU 141 Cb 0.00 -3.12 -0.07 0.00 0.26 0.00 0.00 34.13 31.20 3g6n s GLU 141 CO 0.00 -0.26 0.56 0.21 -0.54 0.00 0.00 175.26 175.23 3g6n s LYS 142 N -0.86 4.12 0.20 4.30 2.20 -1.26 -1.26 119.74 127.19 3g6n s LYS 142 Ca 0.54 0.65 0.04 0.00 -0.36 0.00 0.00 55.97 56.85 3g6n s LYS 142 Cb -0.39 -3.14 -0.05 0.00 -1.51 0.00 0.00 37.83 32.74 3g6n s LYS 142 CO 0.45 0.59 -0.05 -1.01 -0.36 0.00 0.00 175.35 174.97 3g6n s HIS 143 N -1.22 1.50 -0.13 4.03 3.76 0.94 -4.99 115.29 119.17 3g6n s HIS 143 Ca 0.32 -0.82 -0.05 0.00 -0.15 0.00 0.00 55.06 54.36 3g6n s HIS 143 Cb -0.18 -0.82 0.07 0.00 1.11 0.00 0.00 32.58 32.76 3g6n s HIS 143 CO 0.19 0.06 0.25 0.21 -0.85 0.00 0.00 174.74 174.60 3g6n s LYS 144 N -3.79 0.14 0.05 1.40 2.20 -1.26 -2.09 119.74 116.39 3g6n s LYS 144 Ca 0.24 0.70 0.02 0.00 -0.36 0.00 0.00 55.97 56.56 3g6n s LYS 144 Cb 0.04 -0.13 -0.03 0.00 -1.51 0.00 0.00 37.83 36.20 3g6n s LYS 144 CO 0.06 -0.32 -0.07 0.96 -0.36 0.00 0.00 175.35 175.63 3g6n s ILE 145 N 2.41 0.49 -0.22 5.43 -4.36 -0.52 -4.98 121.20 119.45 3g6n s ILE 145 Ca 0.02 -1.24 -0.07 0.00 -0.26 0.00 0.00 60.65 59.09 3g6n s ILE 145 Cb -0.12 -0.79 -0.04 0.00 1.25 0.00 0.00 42.46 42.76 3g6n s ILE 145 CO -0.09 -0.52 0.07 -0.60 0.24 0.00 0.00 174.94 174.05 3g6n s ARG 146 N -2.08 3.82 0.04 0.37 3.52 -1.26 -0.92 118.95 122.43 3g6n s ARG 146 Ca -0.06 -0.41 0.08 0.00 -0.13 0.00 0.00 55.73 55.21 3g6n s ARG 146 Cb -0.06 -3.28 -0.03 0.00 -1.56 0.00 0.00 34.95 30.01 3g6n s ARG 146 CO -0.01 0.04 -0.22 -0.51 -0.81 0.00 0.00 175.30 173.79 3g6n s LEU 147 N 1.02 2.41 0.06 -0.88 1.43 -0.02 -4.99 118.68 117.71 3g6n s LEU 147 Ca 0.04 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3g6n s LEU 147 Cb -0.14 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 3g6n s LEU 147 CO 0.03 0.26 -0.06 -1.59 0.23 0.00 0.00 176.35 175.22 3g6n s LYS 148 N -1.30 0.63 6.24 1.70 -2.85 -1.26 -1.30 119.74 121.60 3g6n s LYS 148 Ca 0.13 -1.03 0.00 0.00 -1.00 0.00 0.00 55.97 54.08 3g6n s LYS 148 Cb -0.10 -0.14 0.00 0.00 -2.06 0.00 0.00 37.83 35.52 3g6n s LYS 148 CO 0.03 -0.01 0.00 0.09 0.10 0.00 0.00 175.35 175.57 3g6n n ASN 149 N 0.72 0.00 -0.14 0.03 5.03 -0.60 -3.07 115.26 117.23 3g6n n ASN 149 Ca -0.18 0.00 -0.05 0.00 0.87 0.00 0.00 54.58 55.22 3g6n n ASN 149 Cb 0.58 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 39.35 3g6n n ASN 149 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 3g6n h TYR 150 N 0.00 -0.62 -0.68 3.10 3.20 -1.99 0.34 116.97 120.31 3g6n h TYR 150 Ca 0.00 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.94 3g6n h TYR 150 Cb 0.00 0.34 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 3g6n h TYR 150 CO 0.00 -0.32 0.45 0.93 -1.64 0.00 0.00 178.16 177.59 3g6n h GLU 151 N -0.15 0.87 -0.52 1.82 5.08 -1.95 -0.35 114.58 119.38 3g6n h GLU 151 Ca 0.21 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 3g6n h GLU 151 Cb 0.48 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3g6n h GLU 151 CO -0.54 0.57 -0.09 1.03 -1.00 0.00 0.00 179.01 178.99 3g6n h SER 152 N 0.89 0.94 -0.18 1.42 0.87 -0.94 -2.72 113.55 113.82 3g6n h SER 152 Ca 0.26 -0.29 -0.21 0.00 -1.23 0.00 0.00 61.79 60.32 3g6n h SER 152 Cb -0.05 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 61.66 3g6n h SER 152 CO -0.06 1.04 -0.70 0.40 -0.53 0.00 0.00 176.83 176.98 3g6n h ILE 153 N 0.85 1.28 -0.27 2.23 2.04 -0.20 -2.58 117.51 120.85 3g6n h ILE 153 Ca 0.14 -1.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.09 3g6n h ILE 153 Cb 0.62 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 3g6n h ILE 153 CO 0.04 0.61 0.12 0.58 0.00 0.00 0.00 178.15 179.49 3g6n h VAL 154 N 0.58 1.16 -0.65 1.67 2.07 -1.07 -1.20 116.25 118.81 3g6n h VAL 154 Ca -0.03 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 3g6n h VAL 154 Cb 1.32 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 3g6n h VAL 154 CO 0.15 0.17 0.25 0.58 0.02 0.00 0.00 177.57 178.74 3g6n h VAL 155 N 0.30 1.24 -0.87 2.57 2.07 -1.54 -1.30 116.25 118.72 3g6n h VAL 155 Ca 0.09 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 3g6n h VAL 155 Cb 0.16 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 3g6n h VAL 155 CO -0.01 0.30 0.49 1.56 0.02 0.00 0.00 177.57 179.93 3g6n h GLN 156 N 0.93 1.20 -0.82 1.57 4.20 -1.26 -0.13 115.11 120.80 3g6n h GLN 156 Ca 0.22 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 3g6n h GLN 156 Cb 0.22 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 3g6n h GLN 156 CO -0.02 0.87 0.35 1.25 -0.67 0.00 0.00 178.83 180.61 3g6n h HIS 157 N 1.21 1.22 0.00 2.96 2.76 -0.75 -1.31 115.15 121.24 3g6n h HIS 157 Ca 0.31 -0.08 -0.11 0.00 -2.20 0.00 0.00 60.37 58.29 3g6n h HIS 157 Cb 0.01 -0.37 -0.02 0.00 1.55 0.00 0.00 27.41 28.59 3g6n h HIS 157 CO 0.01 0.90 -0.50 0.93 -1.30 0.00 0.00 177.93 177.97 3g6n h GLU 158 N 1.18 0.00 0.00 5.26 4.39 -0.68 -3.08 114.58 121.66 3g6n h GLU 158 Ca 0.27 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.77 3g6n h GLU 158 Cb 0.18 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 3g6n h GLU 158 CO -0.03 0.50 -0.96 0.82 -1.16 0.00 0.00 179.01 178.18 3g6n h ILE 159 N 0.00 1.68 -0.53 3.13 2.04 -0.74 -2.94 117.51 120.15 3g6n h ILE 159 Ca -0.01 -3.26 -0.03 0.00 1.00 0.00 0.00 64.86 62.56 3g6n h ILE 159 Cb 1.26 2.77 -0.03 0.00 -0.74 0.00 0.00 36.82 40.09 3g6n h ILE 159 CO 0.07 0.93 0.20 0.44 0.00 0.00 0.00 178.15 179.79 3g6n h ASP 160 N 0.00 0.70 -0.79 1.72 3.32 -1.20 -2.56 116.42 117.61 3g6n h ASP 160 Ca -0.01 -0.09 0.05 0.00 0.02 0.00 0.00 57.03 56.99 3g6n h ASP 160 Cb 1.70 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 41.02 3g6n h ASP 160 CO 0.13 0.64 0.49 0.45 -1.72 0.00 0.00 179.24 179.22 3g6n h HIS 161 N 0.75 0.91 0.00 4.55 3.86 -1.43 0.71 115.15 124.50 3g6n h HIS 161 Ca 0.18 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 3g6n h HIS 161 Cb 0.17 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.34 3g6n h HIS 161 CO 0.01 0.49 0.00 0.44 0.86 0.00 0.00 177.93 179.73 3g6n n ILE 162 N -4.64 0.00 -0.41 2.45 -5.35 -0.97 -2.51 119.36 107.93 3g6n n ILE 162 Ca 0.10 0.00 0.03 0.00 -0.27 0.00 0.00 62.75 62.61 3g6n n ILE 162 Cb 0.13 -0.21 0.04 0.00 -1.74 0.00 0.00 39.64 37.86 3g6n n ILE 162 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3g6n n ASN 163 N -0.69 1.91 -0.20 7.28 3.02 -0.01 -0.52 115.26 126.05 3g6n n ASN 163 Ca 0.08 -2.23 -0.03 0.00 -0.03 0.00 0.00 54.58 52.37 3g6n n ASN 163 Cb 0.04 -0.12 -0.01 0.00 -0.61 0.00 0.00 39.78 39.07 3g6n n ASN 163 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g6n n GLY 164 N -0.71 0.56 3.77 7.41 0.00 -0.90 -4.66 105.19 110.66 3g6n n GLY 164 Ca 0.04 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 3g6n n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g6n s VAL 165 N -1.92 5.23 0.06 1.61 1.01 0.03 -4.46 120.40 121.96 3g6n s VAL 165 Ca 0.00 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.13 3g6n s VAL 165 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 3g6n s VAL 165 CO 0.00 0.53 0.03 -0.04 0.00 0.00 0.00 175.10 175.62 3g6n s MET 166 N -0.30 2.73 0.27 2.72 -1.94 -1.26 -3.47 119.30 118.05 3g6n s MET 166 Ca 0.10 -0.72 -0.00 0.00 -1.71 0.00 0.00 55.69 53.36 3g6n s MET 166 Cb -0.12 -2.64 0.59 0.00 2.01 0.00 0.00 34.83 34.67 3g6n s MET 166 CO 0.01 0.58 1.72 0.27 -0.01 0.00 0.00 175.02 177.59 3g6n h PHE 167 N 3.68 0.63 0.00 -0.03 -5.15 -1.96 0.78 116.94 114.90 3g6n h PHE 167 Ca -0.48 0.04 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 3g6n h PHE 167 Cb 1.17 -0.15 0.00 0.00 0.22 0.00 0.00 35.95 37.19 3g6n h PHE 167 CO 0.61 0.05 0.00 2.48 -2.00 0.00 0.00 178.31 179.45 3g6n n TYR 168 N -4.98 0.81 0.20 6.09 0.18 -1.26 -1.37 117.16 116.82 3g6n n TYR 168 Ca 0.18 0.37 0.06 0.00 1.88 0.00 0.00 57.90 60.39 3g6n n TYR 168 Cb 0.51 -1.09 0.54 0.00 -0.38 0.00 0.00 39.34 38.92 3g6n n TYR 168 CO 0.00 0.00 0.00 -0.44 -2.08 0.00 0.00 176.86 174.34 3g6n h ASP 169 N 0.00 0.08 0.58 9.48 3.32 -1.24 -0.43 116.42 128.21 3g6n h ASP 169 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3g6n h ASP 169 Cb 0.19 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3g6n h ASP 169 CO 0.00 0.15 0.00 1.41 -1.72 0.00 0.00 179.24 179.08 3g6n n HIS 170 N -4.42 0.00 -4.22 4.55 8.25 -0.47 -4.79 115.22 114.11 3g6n n HIS 170 Ca -0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.10 3g6n n HIS 170 Cb 0.17 -0.30 -0.11 0.00 1.12 0.00 0.00 29.99 30.87 3g6n n HIS 170 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3g6n s ILE 171 N -2.59 4.29 -0.48 1.59 1.01 -0.17 -4.71 121.20 120.13 3g6n s ILE 171 Ca 0.27 -0.21 -0.24 0.00 0.00 0.00 0.00 60.65 60.46 3g6n s ILE 171 Cb 0.20 -2.91 0.03 0.00 0.01 0.00 0.00 42.46 39.79 3g6n s ILE 171 CO 0.45 0.48 0.89 0.21 0.00 0.00 0.00 174.94 176.97 3g6n s ASN 172 N 0.36 6.43 0.00 3.58 3.04 -1.26 -4.91 114.94 122.18 3g6n s ASN 172 Ca -0.01 -0.08 0.07 0.00 0.04 0.00 0.00 52.86 52.88 3g6n s ASN 172 Cb -0.13 -2.43 0.40 0.00 -1.54 0.00 0.00 41.25 37.55 3g6n s ASN 172 CO 0.02 -1.07 0.84 -0.90 -3.04 0.00 0.00 177.10 172.95 3g6n n ASP 173 N 7.13 0.00 -0.01 -4.21 5.75 -1.26 -1.02 116.55 122.93 3g6n n ASP 173 Ca 0.04 -0.27 0.07 0.00 -0.01 0.00 0.00 54.79 54.62 3g6n n ASP 173 Cb 0.48 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.47 3g6n n ASP 173 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 3g6n n GLN 174 N -0.94 0.72 -2.92 0.11 -0.06 -1.26 -4.70 117.38 108.32 3g6n n GLN 174 Ca 0.05 -0.11 -0.13 0.00 -2.00 0.00 0.00 57.00 54.81 3g6n n GLN 174 Cb 0.02 -1.31 0.04 0.00 -4.06 0.00 0.00 30.24 24.93 3g6n n GLN 174 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 3g6n n ASN 175 N -1.90 -1.08 -0.33 1.69 2.85 -0.30 -5.03 115.26 111.16 3g6n n ASN 175 Ca -0.02 -3.38 0.21 0.00 -0.11 0.00 0.00 54.58 51.28 3g6n n ASN 175 Cb 0.35 0.86 0.46 0.00 1.24 0.00 0.00 39.78 42.69 3g6n n ASN 175 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3g6n h PRO 176 N 3.10 0.45 -0.54 1.20 0.11 -1.36 -2.76 132.00 132.21 3g6n h PRO 176 Ca -0.02 -0.03 -0.28 0.00 0.11 0.00 0.00 66.00 65.78 3g6n h PRO 176 Cb 1.04 -0.10 -0.17 0.00 0.11 0.00 0.00 31.00 31.88 3g6n h PRO 176 CO 0.30 0.30 0.13 1.19 -0.21 0.00 0.00 178.00 179.70 3g6n n PHE 177 N -4.72 1.66 -2.39 0.65 3.72 -1.26 -1.31 117.46 113.82 3g6n n PHE 177 Ca 0.26 -1.68 -0.42 0.00 -0.05 0.00 0.00 57.45 55.55 3g6n n PHE 177 Cb 0.83 -0.63 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 3g6n n PHE 177 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3g6n s ALA 178 N -3.27 3.55 0.01 4.37 0.00 -1.04 -4.95 121.76 120.43 3g6n s ALA 178 Ca 0.48 0.66 0.05 0.00 0.00 0.00 0.00 51.96 53.15 3g6n s ALA 178 Cb 0.43 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 3g6n s ALA 178 CO 0.03 -0.88 -0.14 -0.51 0.00 0.00 0.00 175.76 174.26 3g6n s LEU 179 N 2.52 2.09 0.76 0.00 1.43 -1.26 -4.96 118.68 119.24 3g6n s LEU 179 Ca 0.58 -0.33 -0.10 0.00 -1.03 0.00 0.00 54.13 53.25 3g6n s LEU 179 Cb -0.26 -0.67 0.06 0.00 0.03 0.00 0.00 46.19 45.35 3g6n s LEU 179 CO 0.22 0.12 1.11 -0.75 0.23 0.00 0.00 176.35 177.27 3g6n s LYS 180 N -0.66 2.17 0.55 1.70 2.47 -1.26 -5.00 119.74 119.71 3g6n s LYS 180 Ca 0.04 0.02 -0.21 0.00 -1.56 0.00 0.00 55.97 54.27 3g6n s LYS 180 Cb -0.06 -2.04 -0.05 0.00 -1.46 0.00 0.00 37.83 34.22 3g6n s LYS 180 CO 0.00 -1.39 1.25 -1.21 0.16 0.00 0.00 175.35 174.17 3g6n s GLU 181 N -5.42 3.16 0.00 4.03 2.02 -1.26 -3.69 118.70 117.54 3g6n s GLU 181 Ca 0.61 1.97 0.00 0.00 0.02 0.00 0.00 54.97 57.56 3g6n s GLU 181 Cb -0.11 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 31.99 3g6n s GLU 181 CO 0.48 -1.09 0.00 0.41 0.02 0.00 0.00 175.26 175.07 3g6n n GLY 182 N 0.60 0.41 3.79 -1.39 0.00 -1.26 -5.02 105.19 102.32 3g6n n GLY 182 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3g6n n GLY 182 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g6n s VAL 183 N -2.04 4.08 -0.04 1.61 -7.23 -1.24 -4.69 120.40 110.85 3g6n s VAL 183 Ca 0.00 1.56 -0.25 0.00 -1.81 0.00 0.00 61.98 61.48 3g6n s VAL 183 Cb 0.00 -3.79 -0.04 0.00 0.56 0.00 0.00 36.38 33.11 3g6n s VAL 183 CO 0.00 -0.02 0.76 -0.76 -0.31 0.00 0.00 175.10 174.78 3g6n s LEU 184 N -2.54 4.35 -0.24 1.32 2.01 -0.67 -4.94 118.68 117.96 3g6n s LEU 184 Ca 0.56 1.32 -0.05 0.00 0.01 0.00 0.00 54.13 55.97 3g6n s LEU 184 Cb -0.17 -3.20 -0.01 0.00 0.01 0.00 0.00 46.19 42.81 3g6n s LEU 184 CO 0.22 -0.12 0.01 0.54 1.01 0.00 0.00 176.35 178.01 3g6n s VAL 185 N 0.71 3.75 -0.14 -1.59 0.11 -1.26 -0.29 120.40 121.69 3g6n s VAL 185 Ca 0.40 -0.41 -0.23 0.00 -2.93 0.00 0.00 61.98 58.81 3g6n s VAL 185 Cb -0.19 -2.75 -0.03 0.00 -1.53 0.00 0.00 36.38 31.88 3g6n s VAL 185 CO 0.21 0.35 0.72 -0.63 -3.33 0.00 0.00 175.10 172.42 3g6n s ILE 186 N 1.53 4.98 0.00 7.04 -1.09 0.29 -4.81 121.20 129.14 3g6n s ILE 186 Ca 0.06 1.42 0.00 0.00 -2.23 0.00 0.00 60.65 59.90 3g6n s ILE 186 Cb -0.15 -4.04 0.00 0.00 -1.58 0.00 0.00 42.46 36.69 3g6n s ILE 186 CO -0.00 0.13 0.00 -1.84 -1.23 0.00 0.00 174.94 172.00