#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gcm n LEU 2 N 0.00 4.79 -4.74 3.17 4.32 -1.26 -5.01 117.00 118.27 3gcm n LEU 2 Ca 0.00 1.22 -0.31 0.00 -0.02 0.00 0.00 56.01 56.90 3gcm n LEU 2 Cb 0.00 -1.62 0.10 0.00 -1.62 0.00 0.00 43.42 40.28 3gcm n LEU 2 CO 0.00 0.15 0.71 0.20 -1.22 0.00 0.00 177.39 177.22 3gcm s ASN 3 N -0.14 4.20 0.59 -1.43 0.02 -1.26 -4.81 114.94 112.11 3gcm s ASN 3 Ca 0.53 1.95 -0.16 0.00 -1.02 0.00 0.00 52.86 54.17 3gcm s ASN 3 Cb -0.48 -2.54 -0.04 0.00 0.02 0.00 0.00 41.25 38.22 3gcm s ASN 3 CO 0.64 -2.24 1.05 -2.16 0.02 0.00 0.00 177.10 174.41 3gcm s PRO 4 N -4.70 3.33 -0.17 -0.60 0.04 -1.26 -4.82 135.00 126.81 3gcm s PRO 4 Ca 0.64 1.18 -0.27 0.00 0.04 0.00 0.00 61.00 62.59 3gcm s PRO 4 Cb -0.19 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 3gcm s PRO 4 CO 0.54 -0.80 0.93 0.42 0.04 0.00 0.00 177.00 178.13 3gcm s ILE 5 N -2.49 4.80 -0.10 0.56 1.09 -0.03 -4.90 121.20 120.14 3gcm s ILE 5 Ca 0.63 1.83 0.04 0.00 -1.10 0.00 0.00 60.65 62.05 3gcm s ILE 5 Cb -0.16 -4.22 -0.00 0.00 -1.06 0.00 0.00 42.46 37.02 3gcm s ILE 5 CO 0.37 -0.03 -0.24 -0.69 -0.10 0.00 0.00 174.94 174.25 3gcm s VAL 6 N 2.40 2.05 -0.11 2.92 1.01 -1.26 -2.21 120.40 125.20 3gcm s VAL 6 Ca 0.42 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3gcm s VAL 6 Cb -0.17 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.46 3gcm s VAL 6 CO 0.12 0.56 -0.15 -0.60 0.00 0.00 0.00 175.10 175.03 3gcm s ARG 7 N 0.30 2.17 0.06 2.72 3.52 -0.56 -4.98 118.95 122.17 3gcm s ARG 7 Ca -0.18 -0.54 0.05 0.00 -0.13 0.00 0.00 55.73 54.94 3gcm s ARG 7 Cb -0.18 -1.88 -0.04 0.00 -1.56 0.00 0.00 34.95 31.30 3gcm s ARG 7 CO 0.09 -0.09 -0.08 0.15 -0.81 0.00 0.00 175.30 174.56 3gcm s LYS 8 N 1.07 2.35 -0.02 5.12 1.02 -1.26 -1.18 119.74 126.84 3gcm s LYS 8 Ca -0.05 -0.88 -0.26 0.00 0.02 0.00 0.00 55.97 54.80 3gcm s LYS 8 Cb -0.15 -2.40 0.06 0.00 -0.52 0.00 0.00 37.83 34.82 3gcm s LYS 8 CO -0.03 0.55 0.59 -0.59 -0.92 0.00 0.00 175.35 174.95 3gcm s PHE 9 N -1.12 -0.53 0.03 3.18 -0.71 -0.94 -5.02 117.98 112.87 3gcm s PHE 9 Ca 0.20 0.84 -0.30 0.00 -1.04 0.00 0.00 56.93 56.62 3gcm s PHE 9 Cb -0.11 0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 42.01 3gcm s PHE 9 CO 0.11 -0.59 1.06 -0.65 -1.34 0.00 0.00 175.22 173.82 3gcm s GLN 10 N -1.52 4.52 -0.40 1.99 -1.52 -1.26 -1.46 119.66 120.00 3gcm s GLN 10 Ca -0.10 1.55 0.02 0.00 -1.95 0.00 0.00 55.36 54.88 3gcm s GLN 10 Cb -0.01 -3.41 0.12 0.00 -0.22 0.00 0.00 33.01 29.49 3gcm s GLN 10 CO 0.06 -0.12 0.19 -0.47 -0.25 0.00 0.00 175.29 174.70 3gcm s TYR 11 N 0.99 2.05 0.00 0.91 5.04 0.21 -4.95 117.35 121.60 3gcm s TYR 11 Ca 0.54 -2.30 0.00 0.00 -2.44 0.00 0.00 57.07 52.88 3gcm s TYR 11 Cb -0.24 -1.93 0.00 0.00 0.35 0.00 0.00 41.96 40.14 3gcm s TYR 11 CO 0.29 -0.82 0.00 0.41 -1.34 0.00 0.00 175.55 174.09 3gcm n GLY 12 N 3.92 2.75 1.18 8.97 0.00 -1.26 -2.54 105.19 118.21 3gcm n GLY 12 Ca 0.05 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.98 3gcm n GLY 12 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gcm n GLN 13 N 10.58 2.53 -4.48 1.61 1.13 -1.26 -4.99 117.38 122.50 3gcm n GLN 13 Ca 0.00 -2.32 -0.25 0.00 -1.94 0.00 0.00 57.00 52.50 3gcm n GLN 13 Cb 0.00 -1.52 -0.10 0.00 0.11 0.00 0.00 30.24 28.73 3gcm n GLN 13 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 3gcm s HIS 14 N -1.44 2.39 -0.22 1.08 3.76 -1.05 -5.10 115.29 114.70 3gcm s HIS 14 Ca 0.40 -0.41 -0.05 0.00 -0.15 0.00 0.00 55.06 54.85 3gcm s HIS 14 Cb 0.23 -1.22 -0.02 0.00 1.11 0.00 0.00 32.58 32.68 3gcm s HIS 14 CO 0.32 0.63 0.01 0.99 -0.85 0.00 0.00 174.74 175.84 3gcm s THR 15 N -2.54 3.92 -0.19 1.30 2.01 -1.26 -0.61 115.64 118.26 3gcm s THR 15 Ca 0.32 -0.31 -0.09 0.00 0.31 0.00 0.00 61.69 61.91 3gcm s THR 15 Cb -0.01 -2.80 -0.05 0.00 0.01 0.00 0.00 72.50 69.65 3gcm s THR 15 CO 0.16 0.40 0.10 -0.69 -0.69 0.00 0.00 174.62 173.90 3gcm s VAL 16 N 1.33 5.16 -0.11 3.82 1.01 -0.54 -3.08 120.40 127.99 3gcm s VAL 16 Ca 0.04 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.14 3gcm s VAL 16 Cb -0.15 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 3gcm s VAL 16 CO 0.01 0.45 -0.16 -0.89 0.00 0.00 0.00 175.10 174.52 3gcm s THR 17 N 0.33 2.84 -0.22 3.92 2.01 0.02 -2.21 115.64 122.33 3gcm s THR 17 Ca 0.06 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.31 3gcm s THR 17 Cb -0.12 -2.16 0.03 0.00 0.01 0.00 0.00 72.50 70.26 3gcm s THR 17 CO -0.01 0.54 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.58 3gcm s LEU 18 N 0.18 2.80 -0.09 4.42 1.43 -0.32 -1.58 118.68 125.52 3gcm s LEU 18 Ca -0.09 -0.85 0.04 0.00 -1.03 0.00 0.00 54.13 52.20 3gcm s LEU 18 Cb -0.15 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 3gcm s LEU 18 CO 0.05 -0.08 -0.22 -0.70 0.23 0.00 0.00 176.35 175.63 3gcm s GLU 19 N 1.28 2.99 0.03 1.70 2.12 -0.61 -1.50 118.70 124.70 3gcm s GLU 19 Ca 0.01 -0.85 -0.12 0.00 0.36 0.00 0.00 54.97 54.37 3gcm s GLU 19 Cb -0.16 -2.33 0.01 0.00 0.26 0.00 0.00 34.13 31.92 3gcm s GLU 19 CO -0.08 0.24 0.26 -0.08 -0.54 0.00 0.00 175.26 175.06 3gcm s THR 20 N 0.20 0.09 0.00 -1.70 -1.32 -0.94 -1.08 115.64 110.89 3gcm s THR 20 Ca -0.13 -0.73 0.00 0.00 -1.21 0.00 0.00 61.69 59.61 3gcm s THR 20 Cb -0.17 -0.86 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 3gcm s THR 20 CO 0.07 -0.40 0.00 0.61 -2.21 0.00 0.00 174.62 172.69 3gcm n GLY 21 N 0.75 2.64 0.12 6.08 0.00 -1.26 -0.85 105.19 112.67 3gcm n GLY 21 Ca -0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 3gcm n GLY 21 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3gcm n MET 22 N -0.71 0.35 -3.70 1.61 0.00 -1.26 -4.90 117.12 108.50 3gcm n MET 22 Ca 0.00 0.09 -0.37 0.00 0.00 0.00 0.00 57.70 57.41 3gcm n MET 22 Cb 0.00 -1.25 -0.06 0.00 0.00 0.00 0.00 33.22 31.90 3gcm n MET 22 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 3gcm s MET 23 N -2.28 3.72 -0.95 2.12 -1.94 -1.26 -4.60 119.30 114.11 3gcm s MET 23 Ca -0.19 0.09 -0.10 0.00 -1.71 0.00 0.00 55.69 53.79 3gcm s MET 23 Cb 0.05 -3.23 -0.01 0.00 2.01 0.00 0.00 34.83 33.65 3gcm s MET 23 CO 0.32 0.68 0.73 0.00 -0.01 0.00 0.00 175.02 176.73 3gcm n ALA 24 N 2.13 -2.60 1.23 3.03 0.00 -1.26 -4.74 120.51 118.29 3gcm n ALA 24 Ca -0.17 -0.17 0.14 0.00 0.00 0.00 0.00 53.44 53.24 3gcm n ALA 24 Cb 0.54 -2.65 0.68 0.00 0.00 0.00 0.00 19.45 18.01 3gcm n ALA 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gcm n ARG 25 N -3.12 0.28 0.07 0.00 1.74 -1.26 -3.15 116.66 111.21 3gcm n ARG 25 Ca -0.12 0.02 0.11 0.00 -0.77 0.00 0.00 57.85 57.09 3gcm n ARG 25 Cb 0.59 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.55 3gcm n ARG 25 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3gcm n GLN 26 N -1.35 0.48 -1.80 5.56 6.02 -1.26 -4.88 117.38 120.14 3gcm n GLN 26 Ca 0.11 0.06 -0.34 0.00 -0.01 0.00 0.00 57.00 56.83 3gcm n GLN 26 Cb 0.26 -1.72 0.04 0.00 1.02 0.00 0.00 30.24 29.85 3gcm n GLN 26 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gcm s ALA 27 N -3.30 2.47 0.26 -1.58 0.00 -1.19 -4.94 121.76 113.48 3gcm s ALA 27 Ca 0.01 0.64 -0.02 0.00 0.00 0.00 0.00 51.96 52.59 3gcm s ALA 27 Cb 0.12 -3.34 0.45 0.00 0.00 0.00 0.00 23.12 20.35 3gcm s ALA 27 CO 0.79 -1.26 1.84 1.15 0.00 0.00 0.00 175.76 178.28 3gcm h THR 28 N 0.20 0.97 -2.29 0.00 2.02 -1.57 -3.43 112.91 108.81 3gcm h THR 28 Ca -0.47 -0.34 -0.08 0.00 0.77 0.00 0.00 66.41 66.29 3gcm h THR 28 Cb 1.26 -0.10 -0.19 0.00 -1.74 0.00 0.00 68.15 67.38 3gcm h THR 28 CO 0.54 0.18 0.06 0.00 0.37 0.00 0.00 175.52 176.67 3gcm s ALA 29 N -6.01 -1.50 -0.07 6.16 0.00 -1.02 -4.64 121.76 114.69 3gcm s ALA 29 Ca -0.12 1.05 -0.04 0.00 0.00 0.00 0.00 51.96 52.85 3gcm s ALA 29 Cb 0.21 0.00 0.03 0.00 0.00 0.00 0.00 23.12 23.36 3gcm s ALA 29 CO 0.80 -0.34 0.17 0.00 0.00 0.00 0.00 175.76 176.39 3gcm s ALA 30 N -1.20 -0.36 -0.04 0.00 0.00 -1.26 -0.73 121.76 118.17 3gcm s ALA 30 Ca -0.12 0.69 0.02 0.00 0.00 0.00 0.00 51.96 52.56 3gcm s ALA 30 Cb -0.02 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.67 3gcm s ALA 30 CO 0.08 -0.15 -0.07 0.08 0.00 0.00 0.00 175.76 175.71 3gcm s VAL 31 N 0.93 0.69 -0.36 0.00 1.01 0.55 -4.40 120.40 118.82 3gcm s VAL 31 Ca -0.07 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 61.52 3gcm s VAL 31 Cb -0.09 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.63 3gcm s VAL 31 CO -0.05 0.24 0.26 -0.32 0.00 0.00 0.00 175.10 175.24 3gcm s MET 32 N 0.56 3.33 -0.10 2.72 0.00 -0.25 -0.65 119.30 124.92 3gcm s MET 32 Ca -0.09 -0.76 -0.02 0.00 0.00 0.00 0.00 55.69 54.83 3gcm s MET 32 Cb -0.12 -3.86 -0.03 0.00 0.00 0.00 0.00 34.83 30.82 3gcm s MET 32 CO 0.01 -0.54 -0.01 0.08 0.00 0.00 0.00 175.02 174.55 3gcm s VAL 33 N 1.72 4.16 -0.01 10.11 1.01 -0.76 -1.58 120.40 135.05 3gcm s VAL 33 Ca 0.06 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.77 3gcm s VAL 33 Cb -0.18 -2.76 -0.00 0.00 0.00 0.00 0.00 36.38 33.44 3gcm s VAL 33 CO 0.10 0.58 -0.08 -0.44 0.00 0.00 0.00 175.10 175.26 3gcm s SER 34 N -0.57 0.95 -0.33 3.32 0.01 -0.61 -1.05 113.70 115.41 3gcm s SER 34 Ca 0.09 -0.14 -0.01 0.00 1.31 0.00 0.00 55.95 57.20 3gcm s SER 34 Cb -0.12 -0.15 0.11 0.00 0.21 0.00 0.00 66.02 66.08 3gcm s SER 34 CO 0.02 0.08 0.15 -0.32 0.41 0.00 0.00 173.24 173.58 3gcm s MET 35 N -0.07 0.63 -1.08 12.44 1.75 0.01 -0.80 119.30 132.18 3gcm s MET 35 Ca 0.01 -1.12 -0.20 0.00 -1.25 0.00 0.00 55.69 53.14 3gcm s MET 35 Cb -0.04 -1.70 0.00 0.00 2.84 0.00 0.00 34.83 35.93 3gcm s MET 35 CO -0.00 -1.06 0.74 -0.25 -0.65 0.00 0.00 175.02 173.80 3gcm n ASP 36 N 4.61 -5.23 0.00 1.11 9.92 -1.18 -2.48 116.55 123.30 3gcm n ASP 36 Ca 0.01 -1.00 0.00 0.00 -0.53 0.00 0.00 54.79 53.27 3gcm n ASP 36 Cb 0.40 -2.97 0.00 0.00 -0.64 0.00 0.00 41.12 37.91 3gcm n ASP 36 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3gcm n ASP 37 N -2.50 0.00 -4.58 -2.24 9.92 -1.26 -4.61 116.55 111.29 3gcm n ASP 37 Ca -0.12 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.71 3gcm n ASP 37 Cb 0.59 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 41.03 3gcm n ASP 37 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3gcm s THR 38 N -2.09 4.48 -0.06 -3.53 2.01 -1.04 -3.73 115.64 111.68 3gcm s THR 38 Ca 0.00 0.89 0.05 0.00 0.31 0.00 0.00 61.69 62.94 3gcm s THR 38 Cb 0.00 -4.42 -0.01 0.00 0.01 0.00 0.00 72.50 68.08 3gcm s THR 38 CO 0.00 -0.78 -0.23 0.00 -0.69 0.00 0.00 174.62 172.93 3gcm s ALA 39 N 3.74 2.00 -0.10 7.40 0.00 0.07 -0.81 121.76 134.06 3gcm s ALA 39 Ca 0.38 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.42 3gcm s ALA 39 Cb -0.10 -0.66 0.02 0.00 0.00 0.00 0.00 23.12 22.38 3gcm s ALA 39 CO 0.25 0.35 -0.13 0.08 0.00 0.00 0.00 175.76 176.31 3gcm s VAL 40 N -0.00 1.30 -0.37 0.00 1.01 -0.21 -1.77 120.40 120.35 3gcm s VAL 40 Ca -0.07 -0.53 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 3gcm s VAL 40 Cb -0.14 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.03 3gcm s VAL 40 CO 0.04 0.40 0.55 0.12 0.00 0.00 0.00 175.10 176.21 3gcm s PHE 41 N 1.03 3.16 -0.14 5.22 5.36 0.46 -1.83 117.98 131.24 3gcm s PHE 41 Ca -0.07 0.12 0.00 0.00 -0.96 0.00 0.00 56.93 56.02 3gcm s PHE 41 Cb -0.15 -3.02 -0.01 0.00 -0.34 0.00 0.00 43.02 39.50 3gcm s PHE 41 CO -0.01 -0.62 -0.15 0.08 -1.46 0.00 0.00 175.22 173.06 3gcm s VAL 42 N 2.49 2.83 0.16 3.12 1.01 0.18 -1.01 120.40 129.18 3gcm s VAL 42 Ca 0.20 -0.73 0.11 0.00 0.00 0.00 0.00 61.98 61.55 3gcm s VAL 42 Cb -0.15 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3gcm s VAL 42 CO 0.14 0.52 -0.24 0.42 0.00 0.00 0.00 175.10 175.95 3gcm s THR 43 N 0.54 2.21 -0.05 3.92 -4.23 -0.34 -0.33 115.64 117.36 3gcm s THR 43 Ca -0.09 -1.90 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 3gcm s THR 43 Cb -0.16 -2.01 0.02 0.00 1.34 0.00 0.00 72.50 71.69 3gcm s THR 43 CO 0.04 -0.08 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.27 3gcm s VAL 44 N -1.50 0.80 -0.17 2.29 1.01 0.09 -1.64 120.40 121.28 3gcm s VAL 44 Ca 0.17 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.85 3gcm s VAL 44 Cb -0.08 -0.76 0.03 0.00 0.00 0.00 0.00 36.38 35.57 3gcm s VAL 44 CO 0.08 0.28 -0.12 -0.69 0.00 0.00 0.00 175.10 174.65 3gcm s VAL 45 N 0.67 1.56 -0.17 2.92 1.01 -0.49 -1.40 120.40 124.50 3gcm s VAL 45 Ca -0.11 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 3gcm s VAL 45 Cb -0.14 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 3gcm s VAL 45 CO 0.02 0.29 -0.09 -0.83 0.00 0.00 0.00 175.10 174.49 3gcm s GLY 46 N 1.46 1.58 0.22 4.51 0.00 -1.26 -1.20 107.32 112.63 3gcm s GLY 46 Ca 0.02 -1.01 -0.30 0.00 0.00 0.00 0.00 44.72 43.43 3gcm s GLY 46 CO -0.09 0.09 1.17 1.20 0.00 0.00 0.00 173.10 175.47 3gcm s GLN 47 N 0.84 4.53 0.17 2.90 -0.21 -0.20 -4.96 119.66 122.74 3gcm s GLN 47 Ca -0.03 1.86 -0.14 0.00 0.02 0.00 0.00 55.36 57.07 3gcm s GLN 47 Cb -0.15 -3.22 0.09 0.00 1.00 0.00 0.00 33.01 30.73 3gcm s GLN 47 CO 0.01 0.00 1.80 0.87 -2.12 0.00 0.00 175.29 175.85 3gcm h LYS 48 N 4.75 0.51 -6.53 2.91 1.79 -1.99 -3.42 116.57 114.59 3gcm h LYS 48 Ca -0.45 -0.03 -0.68 0.00 -2.18 0.00 0.00 60.65 57.30 3gcm h LYS 48 Cb 1.21 -0.11 -0.29 0.00 -1.58 0.00 0.00 32.23 31.45 3gcm h LYS 48 CO 0.72 0.33 -0.88 -1.59 -1.08 0.00 0.00 179.45 176.95 3gcm s LYS 49 N -6.14 2.00 0.39 3.15 -2.85 -1.26 -5.07 119.74 109.95 3gcm s LYS 49 Ca -0.13 -0.92 -0.24 0.00 -1.00 0.00 0.00 55.97 53.68 3gcm s LYS 49 Cb 0.13 -1.96 -0.09 0.00 -2.06 0.00 0.00 37.83 33.84 3gcm s LYS 49 CO 0.73 0.53 1.03 0.00 0.10 0.00 0.00 175.35 177.75 3gcm s ALA 50 N -0.62 3.09 0.13 0.59 0.00 -1.26 -4.81 121.76 118.89 3gcm s ALA 50 Ca 0.10 0.66 -0.32 0.00 0.00 0.00 0.00 51.96 52.40 3gcm s ALA 50 Cb -0.10 -3.26 -0.12 0.00 0.00 0.00 0.00 23.12 19.65 3gcm s ALA 50 CO -0.01 -0.15 1.78 1.63 0.00 0.00 0.00 175.76 179.01 3gcm n LYS 51 N -0.05 2.64 -0.19 0.00 4.76 -1.26 -4.85 118.16 119.21 3gcm n LYS 51 Ca 0.05 0.96 0.15 0.00 -2.87 0.00 0.00 58.31 56.60 3gcm n LYS 51 Cb 0.50 -2.82 0.28 0.00 -1.84 0.00 0.00 35.03 31.15 3gcm n LYS 51 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3gcm n PRO 52 N 5.01 -0.04 -1.73 1.97 -0.02 -1.26 -1.29 135.00 137.65 3gcm n PRO 52 Ca 0.18 0.84 -0.12 0.00 -2.02 0.00 0.00 63.50 62.37 3gcm n PRO 52 Cb 0.35 -1.44 0.07 0.00 -0.02 0.00 0.00 33.50 32.46 3gcm n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gcm n GLY 53 N -1.21 5.32 3.75 -1.23 0.00 -1.26 -5.06 105.19 105.49 3gcm n GLY 53 Ca 0.19 -2.06 -0.40 0.00 0.00 0.00 0.00 46.02 43.75 3gcm n GLY 53 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gcm s GLN 54 N -3.36 4.70 -0.05 1.61 2.00 -0.41 -4.97 119.66 119.18 3gcm s GLN 54 Ca 0.44 1.35 0.12 0.00 -2.00 0.00 0.00 55.36 55.28 3gcm s GLN 54 Cb 0.39 -3.32 0.22 0.00 0.80 0.00 0.00 33.01 31.09 3gcm s GLN 54 CO -0.01 0.38 1.10 -0.40 -0.50 0.00 0.00 175.29 175.86 3gcm n ASP 55 N 2.18 0.88 -3.89 6.67 5.75 -1.26 -5.03 116.55 121.84 3gcm n ASP 55 Ca -0.01 -2.40 -0.11 0.00 -0.01 0.00 0.00 54.79 52.26 3gcm n ASP 55 Cb 0.49 -0.30 -0.11 0.00 -1.03 0.00 0.00 41.12 40.16 3gcm n ASP 55 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3gcm s PHE 56 N -0.85 0.07 -0.41 2.11 -0.12 -1.26 -5.13 117.98 112.39 3gcm s PHE 56 Ca 0.19 -0.16 -0.29 0.00 -0.05 0.00 0.00 56.93 56.63 3gcm s PHE 56 Cb 0.20 -0.07 0.01 0.00 -0.63 0.00 0.00 43.02 42.54 3gcm s PHE 56 CO -0.05 -0.22 1.33 0.12 -0.05 0.00 0.00 175.22 176.36 3gcm s PHE 57 N -1.12 2.53 -0.80 3.49 5.36 -1.26 -4.87 117.98 121.32 3gcm s PHE 57 Ca -0.12 0.71 -0.20 0.00 -0.96 0.00 0.00 56.93 56.36 3gcm s PHE 57 Cb -0.07 -4.28 0.10 0.00 -0.34 0.00 0.00 43.02 38.43 3gcm s PHE 57 CO 0.01 -1.78 1.04 -1.25 -1.46 0.00 0.00 175.22 171.78 3gcm s PRO 58 N 4.72 3.37 -0.18 10.12 0.04 -1.26 -4.99 135.00 146.81 3gcm s PRO 58 Ca 0.57 -1.36 -0.03 0.00 0.04 0.00 0.00 61.00 60.23 3gcm s PRO 58 Cb -0.12 -4.61 -0.01 0.00 0.04 0.00 0.00 34.50 29.79 3gcm s PRO 58 CO 0.31 -1.78 -0.06 -1.17 0.04 0.00 0.00 177.00 174.34 3gcm s LEU 59 N 3.26 2.93 -0.08 -3.56 2.96 -1.26 -1.79 118.68 121.14 3gcm s LEU 59 Ca 0.27 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.91 3gcm s LEU 59 Cb -0.11 -1.72 -0.00 0.00 0.50 0.00 0.00 46.19 44.86 3gcm s LEU 59 CO -0.01 0.07 -0.22 -0.89 -1.32 0.00 0.00 176.35 173.98 3gcm s THR 60 N 0.96 1.85 -0.19 3.68 2.01 -0.65 -5.02 115.64 118.27 3gcm s THR 60 Ca -0.01 -0.92 -0.01 0.00 0.31 0.00 0.00 61.69 61.07 3gcm s THR 60 Cb -0.15 -1.60 0.00 0.00 0.01 0.00 0.00 72.50 70.77 3gcm s THR 60 CO 0.00 0.52 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.63 3gcm s VAL 61 N 0.24 2.69 -0.30 3.82 1.01 -1.26 -0.88 120.40 125.73 3gcm s VAL 61 Ca -0.13 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 3gcm s VAL 61 Cb -0.16 -2.18 0.04 0.00 0.00 0.00 0.00 36.38 34.08 3gcm s VAL 61 CO 0.06 0.49 0.01 0.20 0.00 0.00 0.00 175.10 175.87 3gcm s ASN 62 N 1.26 4.87 -0.19 3.32 0.01 0.51 -4.91 114.94 119.82 3gcm s ASN 62 Ca 0.03 -1.11 -0.06 0.00 -0.71 0.00 0.00 52.86 51.01 3gcm s ASN 62 Cb -0.14 -1.75 -0.03 0.00 0.41 0.00 0.00 41.25 39.74 3gcm s ASN 62 CO -0.07 -0.24 0.02 -0.47 -1.51 0.00 0.00 177.10 174.84 3gcm s TYR 63 N 1.32 3.13 -0.02 2.20 5.04 -1.26 -0.39 117.35 127.37 3gcm s TYR 63 Ca -0.03 -0.18 -0.00 0.00 -2.44 0.00 0.00 57.07 54.41 3gcm s TYR 63 Cb -0.19 -2.06 0.02 0.00 0.35 0.00 0.00 41.96 40.08 3gcm s TYR 63 CO -0.01 -0.03 0.03 1.14 -1.34 0.00 0.00 175.55 175.35 3gcm s GLN 64 N 0.62 -0.00 -0.22 4.97 -2.07 -0.11 -4.79 119.66 118.06 3gcm s GLN 64 Ca 0.01 0.13 -0.07 0.00 -1.82 0.00 0.00 55.36 53.60 3gcm s GLN 64 Cb -0.14 -0.13 -0.03 0.00 -1.09 0.00 0.00 33.01 31.62 3gcm s GLN 64 CO 0.02 -0.09 0.06 -1.21 -1.32 0.00 0.00 175.29 172.75 3gcm s GLU 65 N 0.59 3.77 -0.09 9.60 2.02 -1.26 -1.14 118.70 132.19 3gcm s GLU 65 Ca -0.05 -0.43 -0.17 0.00 0.02 0.00 0.00 54.97 54.34 3gcm s GLU 65 Cb -0.07 -3.27 -0.05 0.00 0.10 0.00 0.00 34.13 30.84 3gcm s GLU 65 CO -0.02 -0.01 0.44 1.03 0.02 0.00 0.00 175.26 176.72 3gcm s ARG 66 N 1.13 4.22 0.39 1.61 1.81 -1.08 -4.96 118.95 122.07 3gcm s ARG 66 Ca 0.04 0.40 0.28 0.00 -1.72 0.00 0.00 55.73 54.73 3gcm s ARG 66 Cb -0.14 -3.38 1.09 0.00 -0.45 0.00 0.00 34.95 32.07 3gcm s ARG 66 CO 0.03 0.31 1.82 1.79 -0.68 0.00 0.00 175.30 178.58 3gcm h THR 67 N 4.43 0.00 0.00 0.02 1.35 -1.88 -2.39 112.91 114.44 3gcm h THR 67 Ca -0.44 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 3gcm h THR 67 Cb 1.19 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 3gcm h THR 67 CO 0.72 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.99 3gcm n TYR 68 N -2.64 0.36 0.10 4.73 4.11 -1.19 -1.56 117.16 121.07 3gcm n TYR 68 Ca 0.02 0.15 -0.00 0.00 -0.00 0.00 0.00 57.90 58.06 3gcm n TYR 68 Cb 0.30 -0.74 0.29 0.00 -0.00 0.00 0.00 39.34 39.19 3gcm n TYR 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3gcm h ALA 69 N 2.36 1.26 -0.55 -3.48 0.00 -1.60 -2.92 119.26 114.35 3gcm h ALA 69 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3gcm h ALA 69 Cb 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3gcm h ALA 69 CO 0.00 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.75 3gcm n ALA 70 N -2.48 2.36 -2.64 0.00 0.00 -0.98 -2.38 120.51 114.39 3gcm n ALA 70 Ca -0.01 -1.16 -0.11 0.00 0.00 0.00 0.00 53.44 52.16 3gcm n ALA 70 Cb 0.39 -0.82 0.02 0.00 0.00 0.00 0.00 19.45 19.04 3gcm n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gcm n GLY 71 N 1.41 0.08 3.30 0.00 0.00 -1.10 -5.04 105.19 103.84 3gcm n GLY 71 Ca 0.20 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 3gcm n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gcm s ARG 72 N -5.11 1.19 -0.14 1.61 0.52 -0.60 -5.00 118.95 111.42 3gcm s ARG 72 Ca 0.15 -1.37 -0.06 0.00 -0.52 0.00 0.00 55.73 53.93 3gcm s ARG 72 Cb -0.07 -1.15 -0.04 0.00 0.52 0.00 0.00 34.95 34.21 3gcm s ARG 72 CO 0.19 0.22 0.08 0.42 0.02 0.00 0.00 175.30 176.23 3gcm s ILE 73 N -2.22 4.93 0.38 1.52 1.01 -1.26 -3.18 121.20 122.38 3gcm s ILE 73 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 60.65 60.53 3gcm s ILE 73 Cb -0.05 -3.17 -0.11 0.00 0.01 0.00 0.00 42.46 39.15 3gcm s ILE 73 CO 0.05 0.55 1.22 -2.65 0.00 0.00 0.00 174.94 174.11 3gcm n PRO 74 N 2.70 1.88 0.00 2.79 -0.02 -1.26 -4.90 135.00 136.19 3gcm n PRO 74 Ca -0.18 0.67 0.14 0.00 -2.02 0.00 0.00 63.50 62.11 3gcm n PRO 74 Cb 0.53 -2.27 0.60 0.00 -0.02 0.00 0.00 33.50 32.35 3gcm n PRO 74 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gcm n GLY 75 N 0.88 -0.99 3.77 -1.23 0.00 -1.26 -4.42 105.19 101.94 3gcm n GLY 75 Ca 0.06 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 3gcm n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gcm s SER 76 N -2.52 4.39 0.54 1.61 1.04 -1.26 -4.91 113.70 112.59 3gcm s SER 76 Ca 0.27 1.60 0.25 0.00 0.48 0.00 0.00 55.95 58.55 3gcm s SER 76 Cb 0.20 -2.33 1.41 0.00 0.10 0.00 0.00 66.02 65.39 3gcm s SER 76 CO 0.49 -2.07 2.02 0.15 0.98 0.00 0.00 173.24 174.80 3gcm h PHE 77 N -1.16 0.00 -0.13 5.02 3.57 -1.95 -0.50 116.94 121.80 3gcm h PHE 77 Ca -0.46 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.04 3gcm h PHE 77 Cb 1.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.99 3gcm h PHE 77 CO 0.52 0.00 0.00 1.19 -2.23 0.00 0.00 178.31 177.79 3gcm n PHE 78 N -4.33 0.14 -2.92 0.41 3.72 -1.26 -4.97 117.46 108.25 3gcm n PHE 78 Ca 0.08 -0.07 -0.20 0.00 -0.05 0.00 0.00 57.45 57.21 3gcm n PHE 78 Cb 0.53 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.08 3gcm n PHE 78 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3gcm n ARG 79 N 1.23 -3.31 -3.91 -1.08 5.12 -0.20 -4.96 116.66 109.56 3gcm n ARG 79 Ca 0.16 0.68 -0.10 0.00 -1.93 0.00 0.00 57.85 56.65 3gcm n ARG 79 Cb 0.57 -5.39 -0.11 0.00 -1.16 0.00 0.00 32.46 26.37 3gcm n ARG 79 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3gcm s ARG 80 N -5.56 0.34 0.18 5.56 3.52 -1.26 -4.33 118.95 117.40 3gcm s ARG 80 Ca 0.22 -0.39 -0.31 0.00 -0.13 0.00 0.00 55.73 55.12 3gcm s ARG 80 Cb -0.11 0.13 -0.10 0.00 -1.56 0.00 0.00 34.95 33.32 3gcm s ARG 80 CO 0.27 -0.07 1.51 -1.21 -0.81 0.00 0.00 175.30 174.99 3gcm s GLU 81 N -1.15 4.25 0.00 5.12 8.01 -1.26 -4.84 118.70 128.82 3gcm s GLU 81 Ca -0.13 2.30 0.00 0.00 0.01 0.00 0.00 54.97 57.15 3gcm s GLU 81 Cb -0.07 -3.16 0.00 0.00 -4.31 0.00 0.00 34.13 26.59 3gcm s GLU 81 CO 0.00 -0.53 0.00 0.41 0.01 0.00 0.00 175.26 175.15 3gcm n GLY 82 N 3.32 2.90 3.77 -1.39 0.00 -1.26 -5.08 105.19 107.46 3gcm n GLY 82 Ca 0.12 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 3gcm n GLY 82 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gcm s ARG 83 N 4.57 4.09 0.18 1.61 1.70 -1.26 -4.92 118.95 124.92 3gcm s ARG 83 Ca 0.00 2.43 -0.33 0.00 -0.47 0.00 0.00 55.73 57.35 3gcm s ARG 83 Cb 0.00 -2.92 -0.14 0.00 -0.57 0.00 0.00 34.95 31.31 3gcm s ARG 83 CO 0.00 -0.49 1.45 -0.35 -1.08 0.00 0.00 175.30 174.83 3gcm n PRO 84 N 0.40 1.89 -1.34 3.89 -0.04 -1.26 -4.99 135.00 133.56 3gcm n PRO 84 Ca 0.02 0.68 -0.29 0.00 -0.04 0.00 0.00 63.50 63.86 3gcm n PRO 84 Cb 0.41 -2.37 0.19 0.00 -0.04 0.00 0.00 33.50 31.69 3gcm n PRO 84 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3gcm s SER 85 N 0.55 2.20 0.19 3.54 1.04 -1.26 -4.78 113.70 115.18 3gcm s SER 85 Ca 0.75 0.76 -0.11 0.00 0.48 0.00 0.00 55.95 57.83 3gcm s SER 85 Cb -0.72 -1.14 0.19 0.00 0.10 0.00 0.00 66.02 64.45 3gcm s SER 85 CO 0.45 -3.35 1.79 -0.33 0.98 0.00 0.00 173.24 172.78 3gcm h GLU 86 N -2.05 0.55 -0.99 4.02 5.08 -1.99 -0.98 114.58 118.22 3gcm h GLU 86 Ca -0.48 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 57.89 3gcm h GLU 86 Cb 1.30 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.37 3gcm h GLU 86 CO 0.46 0.36 0.65 0.78 -1.00 0.00 0.00 179.01 180.27 3gcm h GLY 87 N 0.57 1.46 1.65 -3.84 0.00 -1.99 -1.24 103.07 99.67 3gcm h GLY 87 Ca 0.26 -0.49 -0.15 0.00 0.00 0.00 0.00 47.33 46.95 3gcm h GLY 87 CO -0.18 0.40 -0.59 0.83 0.00 0.00 0.00 176.54 177.00 3gcm h GLU 88 N 1.23 0.37 -0.44 4.80 5.08 -1.77 -2.68 114.58 121.17 3gcm h GLU 88 Ca 0.40 -0.25 -0.11 0.00 -1.00 0.00 0.00 59.36 58.41 3gcm h GLU 88 Cb 0.05 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3gcm h GLU 88 CO -0.14 0.85 -0.17 1.15 -1.00 0.00 0.00 179.01 179.70 3gcm h THR 89 N 0.28 1.27 -0.59 1.13 2.02 -0.81 -2.25 112.91 113.96 3gcm h THR 89 Ca -0.00 -1.31 -0.08 0.00 0.77 0.00 0.00 66.41 65.78 3gcm h THR 89 Cb 1.11 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 3gcm h THR 89 CO 0.10 0.44 0.04 -0.07 0.37 0.00 0.00 175.52 176.40 3gcm h LEU 90 N 0.71 0.97 -0.49 2.58 3.38 -1.21 -2.40 115.31 118.86 3gcm h LEU 90 Ca 0.10 -0.25 -0.17 0.00 0.09 0.00 0.00 57.88 57.66 3gcm h LEU 90 Cb 0.73 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3gcm h LEU 90 CO 0.06 1.00 -0.72 0.40 0.09 0.00 0.00 178.44 179.26 3gcm h ILE 91 N 0.93 1.44 -0.42 1.22 2.04 -1.48 -1.84 117.51 119.40 3gcm h ILE 91 Ca 0.18 -2.27 -0.02 0.00 1.00 0.00 0.00 64.86 63.75 3gcm h ILE 91 Cb 0.48 2.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 3gcm h ILE 91 CO 0.02 0.66 0.16 0.00 0.00 0.00 0.00 178.15 179.00 3gcm h ALA 92 N 1.10 1.51 -0.05 1.87 0.00 -1.25 -2.28 119.26 120.16 3gcm h ALA 92 Ca -0.02 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 3gcm h ALA 92 Cb 1.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3gcm h ALA 92 CO 0.11 0.38 -0.72 0.00 0.00 0.00 0.00 179.25 179.02 3gcm h ARG 93 N 0.59 0.28 0.00 0.00 3.08 -1.16 -1.74 114.38 115.43 3gcm h ARG 93 Ca 0.14 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 3gcm h ARG 93 Cb 0.12 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3gcm h ARG 93 CO -0.01 0.88 -0.18 -0.07 -1.07 0.00 0.00 179.97 179.52 3gcm h LEU 94 N 0.19 0.00 0.19 3.04 3.38 -0.81 -1.67 115.31 119.63 3gcm h LEU 94 Ca -0.02 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.63 3gcm h LEU 94 Cb 1.28 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.05 3gcm h LEU 94 CO 0.11 0.18 -1.50 0.40 0.09 0.00 0.00 178.44 177.72 3gcm h ILE 95 N 0.00 1.12 -0.35 1.22 2.04 -1.35 -3.39 117.51 116.80 3gcm h ILE 95 Ca -0.00 -2.55 -0.09 0.00 1.00 0.00 0.00 64.86 63.22 3gcm h ILE 95 Cb 0.32 2.89 -0.01 0.00 -0.74 0.00 0.00 36.82 39.28 3gcm h ILE 95 CO 0.02 0.80 -0.12 -0.78 0.00 0.00 0.00 178.15 178.07 3gcm h ASP 96 N -0.01 0.71 -0.64 1.72 1.82 -1.13 -3.31 116.42 115.57 3gcm h ASP 96 Ca -0.29 -0.39 -0.02 0.00 -0.39 0.00 0.00 57.03 55.95 3gcm h ASP 96 Cb 2.01 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 41.79 3gcm h ASP 96 CO 0.18 0.93 0.34 0.03 -1.61 0.00 0.00 179.24 179.11 3gcm h ARG 97 N 0.48 0.91 0.00 0.28 3.08 -1.50 -2.07 114.38 115.55 3gcm h ARG 97 Ca 0.08 -0.12 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 3gcm h ARG 97 Cb 0.65 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3gcm h ARG 97 CO 0.04 0.70 -0.66 -1.00 -1.07 0.00 0.00 179.97 177.98 3gcm h PRO 98 N 0.88 0.00 0.00 0.04 0.13 -1.78 -3.35 132.00 127.92 3gcm h PRO 98 Ca 0.22 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.16 3gcm h PRO 98 Cb 0.07 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.17 3gcm h PRO 98 CO -0.03 0.66 -0.98 -0.84 -0.23 0.00 0.00 178.00 176.58 3gcm h ILE 99 N 0.00 1.41 -0.17 -3.56 3.07 -1.61 -3.38 117.51 113.27 3gcm h ILE 99 Ca -0.01 -3.05 0.03 0.00 1.55 0.00 0.00 64.86 63.38 3gcm h ILE 99 Cb 1.44 2.69 -0.03 0.00 -0.27 0.00 0.00 36.82 40.65 3gcm h ILE 99 CO 0.09 0.80 -0.04 -0.09 -1.05 0.00 0.00 178.15 177.86 3gcm h ARG 100 N 0.00 -0.00 0.00 0.16 2.43 -1.51 -2.46 114.38 113.00 3gcm h ARG 100 Ca -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3gcm h ARG 100 Cb 1.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.26 3gcm h ARG 100 CO 0.11 -0.00 0.00 -0.35 -1.51 0.00 0.00 179.97 178.22 3gcm n PRO 101 N -5.18 0.09 0.01 0.20 -0.04 -1.26 -3.19 135.00 125.62 3gcm n PRO 101 Ca -0.03 0.20 0.12 0.00 -0.04 0.00 0.00 63.50 63.75 3gcm n PRO 101 Cb 0.11 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.34 3gcm n PRO 101 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3gcm n LEU 102 N -1.41 0.48 -4.73 1.53 4.77 -0.93 -4.80 117.00 111.92 3gcm n LEU 102 Ca 0.05 0.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.69 3gcm n LEU 102 Cb 0.16 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 3gcm n LEU 102 CO 0.13 0.09 0.72 -0.36 -1.33 0.00 0.00 177.39 176.64 3gcm s PHE 103 N -3.02 3.70 0.53 -1.77 0.40 -1.19 -0.85 117.98 115.78 3gcm s PHE 103 Ca 0.11 1.69 -0.21 0.00 -0.60 0.00 0.00 56.93 57.91 3gcm s PHE 103 Cb 0.17 -3.15 -0.06 0.00 0.51 0.00 0.00 43.02 40.49 3gcm s PHE 103 CO 0.69 -0.14 1.17 -2.30 0.70 0.00 0.00 175.22 175.33 3gcm n PRO 104 N 3.02 1.40 -1.69 0.24 -0.02 -1.26 -4.87 135.00 131.82 3gcm n PRO 104 Ca 0.04 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 3gcm n PRO 104 Cb 0.49 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 3gcm n PRO 104 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3gcm s GLU 105 N -2.64 4.14 0.00 -0.52 2.12 -1.26 -1.85 118.70 118.69 3gcm s GLU 105 Ca 0.71 2.60 0.00 0.00 0.36 0.00 0.00 54.97 58.64 3gcm s GLU 105 Cb -0.45 -4.03 0.00 0.00 0.26 0.00 0.00 34.13 29.91 3gcm s GLU 105 CO 0.50 -0.93 0.00 0.41 -0.54 0.00 0.00 175.26 174.71 3gcm n GLY 106 N 4.47 1.95 3.64 -1.50 0.00 -1.26 -4.91 105.19 107.58 3gcm n GLY 106 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 3gcm n GLY 106 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gcm s PHE 107 N -2.48 2.25 -0.07 1.61 5.36 -0.77 -4.88 117.98 119.00 3gcm s PHE 107 Ca 0.00 0.58 0.10 0.00 -0.96 0.00 0.00 56.93 56.66 3gcm s PHE 107 Cb 0.00 -3.90 0.16 0.00 -0.34 0.00 0.00 43.02 38.94 3gcm s PHE 107 CO 0.00 -2.79 1.06 1.33 -1.46 0.00 0.00 175.22 173.37 3gcm n VAL 108 N 6.09 1.10 -2.35 3.12 0.24 -1.26 -4.58 118.33 120.70 3gcm n VAL 108 Ca 0.17 -1.31 -0.39 0.00 -2.04 0.00 0.00 64.34 60.78 3gcm n VAL 108 Cb 0.45 0.11 -0.03 0.00 -1.47 0.00 0.00 33.84 32.90 3gcm n VAL 108 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3gcm s ASN 109 N -2.00 6.74 0.01 -1.34 -0.87 -1.26 -4.52 114.94 111.70 3gcm s ASN 109 Ca 0.18 2.33 -0.30 0.00 -1.57 0.00 0.00 52.86 53.49 3gcm s ASN 109 Cb 0.15 -2.62 -0.06 0.00 -0.02 0.00 0.00 41.25 38.71 3gcm s ASN 109 CO 0.02 -0.52 1.48 -0.70 -2.57 0.00 0.00 177.10 174.80 3gcm s GLU 110 N -2.09 4.25 -0.08 -0.60 2.12 -1.26 -4.49 118.70 116.56 3gcm s GLU 110 Ca 0.54 2.06 0.04 0.00 0.36 0.00 0.00 54.97 57.97 3gcm s GLU 110 Cb -0.31 -3.61 0.00 0.00 0.26 0.00 0.00 34.13 30.47 3gcm s GLU 110 CO 0.39 -0.64 -0.19 0.08 -0.54 0.00 0.00 175.26 174.36 3gcm s VAL 111 N 2.59 1.67 -0.07 3.70 1.01 -0.74 -1.03 120.40 127.52 3gcm s VAL 111 Ca 0.67 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.86 3gcm s VAL 111 Cb -0.33 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.60 3gcm s VAL 111 CO 0.28 0.47 -0.13 -1.58 0.00 0.00 0.00 175.10 174.15 3gcm s GLN 112 N 0.33 1.78 -0.18 2.72 0.74 -0.34 -1.64 119.66 123.07 3gcm s GLN 112 Ca -0.13 -0.43 -0.02 0.00 0.05 0.00 0.00 55.36 54.83 3gcm s GLN 112 Cb -0.16 -1.49 -0.01 0.00 1.10 0.00 0.00 33.01 32.45 3gcm s GLN 112 CO 0.06 0.00 -0.10 0.08 -0.55 0.00 0.00 175.29 174.78 3gcm s VAL 113 N 0.76 3.03 -0.21 1.34 1.01 -0.06 -1.40 120.40 124.88 3gcm s VAL 113 Ca -0.13 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 3gcm s VAL 113 Cb -0.16 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 33.91 3gcm s VAL 113 CO 0.03 0.48 -0.14 -0.63 0.00 0.00 0.00 175.10 174.84 3gcm s ILE 114 N 1.07 2.50 -0.21 2.22 1.01 -0.65 -0.36 121.20 126.78 3gcm s ILE 114 Ca 0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 3gcm s ILE 114 Cb -0.15 -2.14 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 3gcm s ILE 114 CO -0.02 0.42 -0.06 0.00 0.00 0.00 0.00 174.94 175.28 3gcm s ALA 115 N 1.33 2.75 -0.19 9.38 0.00 0.47 -1.20 121.76 134.30 3gcm s ALA 115 Ca 0.04 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 50.85 3gcm s ALA 115 Cb -0.14 -1.61 0.02 0.00 0.00 0.00 0.00 23.12 21.38 3gcm s ALA 115 CO -0.09 -0.37 -0.18 0.99 0.00 0.00 0.00 175.76 176.11 3gcm s THR 116 N 1.37 2.19 -0.36 0.00 2.01 -0.18 -0.93 115.64 119.74 3gcm s THR 116 Ca 0.04 -0.93 -0.29 0.00 0.31 0.00 0.00 61.69 60.82 3gcm s THR 116 Cb -0.14 -1.94 0.01 0.00 0.01 0.00 0.00 72.50 70.44 3gcm s THR 116 CO -0.04 0.50 1.21 -0.69 -0.69 0.00 0.00 174.62 174.91 3gcm s VAL 117 N 1.30 4.25 -0.53 3.82 1.01 -0.29 -0.40 120.40 129.55 3gcm s VAL 117 Ca 0.04 1.38 0.12 0.00 0.00 0.00 0.00 61.98 63.53 3gcm s VAL 117 Cb -0.13 -4.34 -0.14 0.00 0.00 0.00 0.00 36.38 31.77 3gcm s VAL 117 CO -0.12 -0.62 0.50 1.33 0.00 0.00 0.00 175.10 176.20 3gcm n VAL 118 N 6.32 0.00 -3.66 2.92 0.24 -0.73 -2.63 118.33 120.80 3gcm n VAL 118 Ca 0.13 -0.22 -0.14 0.00 -2.04 0.00 0.00 64.34 62.08 3gcm n VAL 118 Cb 0.47 0.94 -0.08 0.00 -1.47 0.00 0.00 33.84 33.70 3gcm n VAL 118 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3gcm s SER 119 N -2.27 -0.65 -0.03 -1.34 0.15 -1.11 -4.21 113.70 104.24 3gcm s SER 119 Ca 0.04 1.25 -0.01 0.00 0.70 0.00 0.00 55.95 57.92 3gcm s SER 119 Cb 0.09 1.26 0.03 0.00 -1.71 0.00 0.00 66.02 65.69 3gcm s SER 119 CO 0.51 -0.23 0.05 0.54 1.20 0.00 0.00 173.24 175.31 3gcm s VAL 120 N 0.29 -0.09 -0.28 4.45 0.11 -1.00 -0.75 120.40 123.13 3gcm s VAL 120 Ca -0.00 0.31 -0.21 0.00 -2.93 0.00 0.00 61.98 59.15 3gcm s VAL 120 Cb -0.04 -0.13 -0.01 0.00 -1.53 0.00 0.00 36.38 34.67 3gcm s VAL 120 CO 0.01 0.13 0.64 0.21 -3.33 0.00 0.00 175.10 172.76 3gcm s ASN 121 N 1.60 6.56 0.00 3.54 3.84 -1.26 -4.75 114.94 124.47 3gcm s ASN 121 Ca -0.03 0.61 0.00 0.00 0.21 0.00 0.00 52.86 53.65 3gcm s ASN 121 Cb -0.12 -2.34 0.00 0.00 -0.55 0.00 0.00 41.25 38.24 3gcm s ASN 121 CO -0.03 -0.43 0.89 -0.81 -2.79 0.00 0.00 177.10 173.93 3gcm n PRO 122 N 5.81 0.00 0.00 0.43 -0.04 -1.26 -0.66 135.00 139.28 3gcm n PRO 122 Ca -0.00 0.40 0.11 0.00 -0.04 0.00 0.00 63.50 63.97 3gcm n PRO 122 Cb 0.49 -1.54 -0.15 0.00 -0.04 0.00 0.00 33.50 32.26 3gcm n PRO 122 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3gcm n GLN 123 N -1.39 0.65 -3.78 0.54 1.13 -1.26 -4.76 117.38 108.50 3gcm n GLN 123 Ca 0.00 -0.17 -0.37 0.00 -1.94 0.00 0.00 57.00 54.52 3gcm n GLN 123 Cb 0.04 -1.55 -0.13 0.00 0.11 0.00 0.00 30.24 28.71 3gcm n GLN 123 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3gcm s VAL 124 N -3.50 3.73 0.12 5.09 1.01 0.16 -3.32 120.40 123.69 3gcm s VAL 124 Ca -0.07 -1.01 -0.31 0.00 0.00 0.00 0.00 61.98 60.59 3gcm s VAL 124 Cb 0.14 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 33.38 3gcm s VAL 124 CO 0.90 -0.07 1.61 0.21 0.00 0.00 0.00 175.10 177.75 3gcm s ASN 125 N 1.42 6.59 0.33 3.32 3.84 -1.26 -4.48 114.94 124.70 3gcm s ASN 125 Ca -0.00 2.56 0.26 0.00 0.21 0.00 0.00 52.86 55.89 3gcm s ASN 125 Cb -0.19 -2.58 1.12 0.00 -0.55 0.00 0.00 41.25 39.06 3gcm s ASN 125 CO 0.02 -0.86 1.78 1.55 -2.79 0.00 0.00 177.10 176.80 3gcm h PRO 126 N 7.52 0.00 -0.39 0.43 0.13 -1.96 -3.34 132.00 134.40 3gcm h PRO 126 Ca -0.43 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 3gcm h PRO 126 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 3gcm h PRO 126 CO 0.92 0.00 0.12 0.38 -0.23 0.00 0.00 178.00 179.19 3gcm h ASP 127 N 0.00 0.57 -0.61 1.44 2.03 -1.99 -0.32 116.42 117.55 3gcm h ASP 127 Ca 0.00 -0.21 -0.09 0.00 -0.73 0.00 0.00 57.03 56.00 3gcm h ASP 127 Cb 0.34 -0.15 -0.02 0.00 -0.83 0.00 0.00 39.33 38.67 3gcm h ASP 127 CO 0.00 0.63 0.04 0.40 -1.03 0.00 0.00 179.24 179.28 3gcm h ILE 128 N 0.48 1.26 -0.56 4.15 1.08 -1.97 -2.23 117.51 119.72 3gcm h ILE 128 Ca 0.12 -1.09 -0.00 0.00 -0.39 0.00 0.00 64.86 63.50 3gcm h ILE 128 Cb 0.27 0.77 -0.03 0.00 -3.07 0.00 0.00 36.82 34.75 3gcm h ILE 128 CO -0.00 0.40 0.33 0.58 -0.69 0.00 0.00 178.15 178.77 3gcm h VAL 129 N 0.95 1.17 -0.27 1.67 2.07 -1.67 -1.48 116.25 118.70 3gcm h VAL 129 Ca 0.18 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 3gcm h VAL 129 Cb 0.50 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3gcm h VAL 129 CO 0.02 0.18 -0.13 0.00 0.02 0.00 0.00 177.57 177.66 3gcm h ALA 130 N 1.16 1.28 -0.37 1.67 0.00 -0.94 -0.97 119.26 121.10 3gcm h ALA 130 Ca 0.20 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 3gcm h ALA 130 Cb -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3gcm h ALA 130 CO -0.04 0.48 -0.31 0.52 0.00 0.00 0.00 179.25 179.91 3gcm h MET 131 N 0.42 0.86 -0.60 0.00 2.07 -1.06 -1.17 114.93 115.45 3gcm h MET 131 Ca 0.08 -0.43 -0.06 0.00 -2.07 0.00 0.00 59.70 57.22 3gcm h MET 131 Cb 0.48 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.19 3gcm h MET 131 CO 0.03 1.07 0.14 0.82 1.07 0.00 0.00 176.91 180.04 3gcm h ILE 132 N 0.66 1.24 -0.45 -1.22 2.04 -1.07 -2.30 117.51 116.40 3gcm h ILE 132 Ca 0.07 -0.88 -0.06 0.00 1.00 0.00 0.00 64.86 64.99 3gcm h ILE 132 Cb 0.89 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 3gcm h ILE 132 CO 0.08 0.33 0.07 1.23 0.00 0.00 0.00 178.15 179.86 3gcm h GLY 133 N 1.02 0.82 1.29 5.37 0.00 -1.01 -1.03 103.07 109.53 3gcm h GLY 133 Ca 0.19 -0.55 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 3gcm h GLY 133 CO 0.00 0.51 -0.02 0.00 0.00 0.00 0.00 176.54 177.03 3gcm h ALA 134 N 0.95 1.03 -0.34 3.60 0.00 -1.14 -1.27 119.26 122.08 3gcm h ALA 134 Ca 0.14 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3gcm h ALA 134 Cb 0.39 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3gcm h ALA 134 CO 0.01 0.60 -0.06 1.03 0.00 0.00 0.00 179.25 180.83 3gcm h SER 135 N 0.79 0.64 -0.45 0.00 0.87 -1.31 -1.95 113.55 112.14 3gcm h SER 135 Ca 0.15 -0.35 -0.05 0.00 -1.23 0.00 0.00 61.79 60.31 3gcm h SER 135 Cb 0.50 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 3gcm h SER 135 CO 0.02 0.84 0.10 0.00 -0.53 0.00 0.00 176.83 177.26 3gcm h ALA 136 N 0.82 0.60 -0.32 6.23 0.00 -1.06 -2.17 119.26 123.36 3gcm h ALA 136 Ca 0.09 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3gcm h ALA 136 Cb 0.55 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3gcm h ALA 136 CO 0.03 0.30 -0.15 0.00 0.00 0.00 0.00 179.25 179.43 3gcm h ALA 137 N 0.96 0.45 -0.55 0.00 0.00 -1.24 -1.13 119.26 117.75 3gcm h ALA 137 Ca 0.14 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3gcm h ALA 137 Cb 0.35 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3gcm h ALA 137 CO 0.00 0.34 0.08 -0.07 0.00 0.00 0.00 179.25 179.61 3gcm h LEU 138 N 0.43 0.83 -0.59 0.00 3.38 -1.37 -0.12 115.31 117.86 3gcm h LEU 138 Ca 0.07 -0.17 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 3gcm h LEU 138 Cb 0.67 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3gcm h LEU 138 CO 0.05 0.84 -0.54 0.28 0.09 0.00 0.00 178.44 179.15 3gcm h SER 139 N 0.83 0.50 1.44 -0.43 0.02 -1.33 -3.07 113.55 111.51 3gcm h SER 139 Ca 0.17 -0.26 -0.05 0.00 -0.84 0.00 0.00 61.79 60.81 3gcm h SER 139 Cb 0.37 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3gcm h SER 139 CO 0.01 0.95 -0.23 -0.07 -1.14 0.00 0.00 176.83 176.34 3gcm h LEU 140 N 0.35 0.00 -0.45 5.07 3.38 -0.93 -3.36 115.31 119.36 3gcm h LEU 140 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3gcm h LEU 140 Cb 1.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3gcm h LEU 140 CO 0.10 0.23 -0.04 0.77 0.09 0.00 0.00 178.44 179.59 3gcm h SER 141 N 0.00 0.81 0.00 -0.43 4.64 -0.92 -2.03 113.55 115.62 3gcm h SER 141 Ca -0.00 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3gcm h SER 141 Cb 1.02 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3gcm h SER 141 CO 0.03 0.95 0.00 0.61 -0.87 0.00 0.00 176.83 177.55 3gcm n GLY 142 N -0.31 0.41 3.73 -0.77 0.00 -1.25 -4.64 105.19 102.36 3gcm n GLY 142 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3gcm n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gcm s ILE 143 N -2.15 2.24 -0.35 -0.61 1.01 -1.26 -1.11 121.20 118.98 3gcm s ILE 143 Ca 0.00 0.19 -0.37 0.00 0.00 0.00 0.00 60.65 60.46 3gcm s ILE 143 Cb 0.00 -3.12 -0.13 0.00 0.01 0.00 0.00 42.46 39.22 3gcm s ILE 143 CO 0.00 0.02 2.08 -2.65 0.00 0.00 0.00 174.94 174.39 3gcm n PRO 144 N 3.15 0.98 -3.52 2.79 -0.02 -1.26 -4.89 135.00 132.24 3gcm n PRO 144 Ca 0.12 0.30 -0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3gcm n PRO 144 Cb 0.37 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 3gcm n PRO 144 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3gcm s PHE 145 N 6.26 -1.39 -0.22 6.00 5.36 -1.26 -4.34 117.98 128.38 3gcm s PHE 145 Ca 1.08 2.14 -0.01 0.00 -0.96 0.00 0.00 56.93 59.18 3gcm s PHE 145 Cb -0.98 0.72 0.10 0.00 -0.34 0.00 0.00 43.02 42.52 3gcm s PHE 145 CO 0.55 -0.72 2.22 0.09 -1.46 0.00 0.00 175.22 175.90 3gcm n ASN 146 N 5.44 6.08 -0.88 6.13 3.02 -0.03 -4.84 115.26 130.18 3gcm n ASN 146 Ca -0.09 -2.86 0.00 0.00 -0.03 0.00 0.00 54.58 51.60 3gcm n ASN 146 Cb 0.50 -1.12 0.00 0.00 -0.61 0.00 0.00 39.78 38.54 3gcm n ASN 146 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gcm n GLY 147 N 0.88 1.51 3.86 7.41 0.00 -1.26 -4.95 105.19 112.64 3gcm n GLY 147 Ca 0.25 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 3gcm n GLY 147 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gcm s PRO 148 N 2.67 3.35 0.17 1.61 0.02 -1.26 -5.01 135.00 136.55 3gcm s PRO 148 Ca 0.00 0.76 0.05 0.00 0.02 0.00 0.00 61.00 61.83 3gcm s PRO 148 Cb 0.00 -2.05 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 3gcm s PRO 148 CO 0.00 -0.76 0.13 0.96 -0.33 0.00 0.00 177.00 177.01 3gcm s ILE 149 N -3.17 4.43 0.57 2.83 -4.36 -1.26 -4.40 121.20 115.83 3gcm s ILE 149 Ca 0.56 -1.14 0.08 0.00 -0.26 0.00 0.00 60.65 59.89 3gcm s ILE 149 Cb -0.12 -3.28 0.07 0.00 1.25 0.00 0.00 42.46 40.39 3gcm s ILE 149 CO 0.54 -0.13 0.65 -0.83 0.24 0.00 0.00 174.94 175.40 3gcm s GLY 150 N -3.17 1.98 -0.21 6.27 0.00 -0.63 -4.72 107.32 106.83 3gcm s GLY 150 Ca 0.31 -1.80 -0.14 0.00 0.00 0.00 0.00 44.72 43.09 3gcm s GLY 150 CO 0.23 -1.79 0.53 0.00 0.00 0.00 0.00 173.10 172.07 3gcm s ALA 151 N -2.72 -1.37 -0.08 3.20 0.00 -1.26 -3.49 121.76 116.04 3gcm s ALA 151 Ca 0.51 1.79 -0.06 0.00 0.00 0.00 0.00 51.96 54.20 3gcm s ALA 151 Cb -0.04 -1.06 0.02 0.00 0.00 0.00 0.00 23.12 22.04 3gcm s ALA 151 CO 0.32 -0.30 0.20 0.00 0.00 0.00 0.00 175.76 175.98 3gcm s ALA 152 N 1.15 -0.47 -0.14 0.00 0.00 -0.87 -4.89 121.76 116.53 3gcm s ALA 152 Ca -0.07 0.61 -0.12 0.00 0.00 0.00 0.00 51.96 52.38 3gcm s ALA 152 Cb -0.06 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 3gcm s ALA 152 CO -0.11 -0.11 0.25 0.50 0.00 0.00 0.00 175.76 176.29 3gcm s ARG 153 N 0.31 4.06 -0.17 0.00 3.52 -1.26 -1.60 118.95 123.81 3gcm s ARG 153 Ca -0.02 0.03 -0.00 0.00 -0.13 0.00 0.00 55.73 55.61 3gcm s ARG 153 Cb -0.03 -3.36 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 3gcm s ARG 153 CO -0.01 0.40 -0.15 0.08 -0.81 0.00 0.00 175.30 174.81 3gcm s VAL 154 N 0.01 2.61 0.50 7.11 1.01 0.16 0.37 120.40 132.18 3gcm s VAL 154 Ca 0.15 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.44 3gcm s VAL 154 Cb -0.13 -2.11 0.04 0.00 0.00 0.00 0.00 36.38 34.18 3gcm s VAL 154 CO 0.04 0.51 0.57 -0.83 0.00 0.00 0.00 175.10 175.39 3gcm s GLY 155 N 1.03 2.00 -0.35 4.51 0.00 0.53 -1.87 107.32 113.18 3gcm s GLY 155 Ca -0.01 -1.81 0.01 0.00 0.00 0.00 0.00 44.72 42.91 3gcm s GLY 155 CO -0.04 -1.70 0.25 -0.47 0.00 0.00 0.00 173.10 171.14 3gcm s TYR 156 N -2.58 0.42 -0.10 1.90 5.04 -1.26 -1.54 117.35 119.23 3gcm s TYR 156 Ca 0.51 -1.37 0.03 0.00 -2.44 0.00 0.00 57.07 53.81 3gcm s TYR 156 Cb -0.05 -0.77 -0.01 0.00 0.35 0.00 0.00 41.96 41.48 3gcm s TYR 156 CO 0.32 -0.87 -0.21 0.42 -1.34 0.00 0.00 175.55 173.87 3gcm s ILE 157 N 1.23 2.36 -1.43 3.14 1.01 -0.70 -1.80 121.20 125.01 3gcm s ILE 157 Ca 0.17 -0.92 -0.07 0.00 0.00 0.00 0.00 60.65 59.84 3gcm s ILE 157 Cb -0.21 -1.92 0.03 0.00 0.01 0.00 0.00 42.46 40.37 3gcm s ILE 157 CO -0.02 0.55 0.56 0.59 0.00 0.00 0.00 174.94 176.62 3gcm n ASN 158 N 3.46 -5.06 -1.60 3.58 3.02 -1.26 -1.93 115.26 115.48 3gcm n ASN 158 Ca -0.19 -0.33 -0.16 0.00 -0.03 0.00 0.00 54.58 53.87 3gcm n ASN 158 Cb 0.53 -4.12 -0.04 0.00 -0.61 0.00 0.00 39.78 35.54 3gcm n ASN 158 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3gcm n ASP 159 N -2.42 -4.92 -4.28 6.41 8.00 -1.26 -5.02 116.55 113.06 3gcm n ASP 159 Ca -0.07 0.17 -0.25 0.00 0.71 0.00 0.00 54.79 55.36 3gcm n ASP 159 Cb 0.59 -3.95 -0.13 0.00 -0.02 0.00 0.00 41.12 37.60 3gcm n ASP 159 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3gcm s GLN 160 N -4.18 1.22 0.11 -1.24 -1.52 -0.81 -5.13 119.66 108.10 3gcm s GLN 160 Ca 0.00 -1.11 -0.30 0.00 -1.95 0.00 0.00 55.36 52.00 3gcm s GLN 160 Cb 0.00 -1.45 -0.06 0.00 -0.22 0.00 0.00 33.01 31.28 3gcm s GLN 160 CO 0.00 0.35 1.07 0.71 -0.25 0.00 0.00 175.29 177.17 3gcm s TYR 161 N -1.05 3.62 -0.12 0.91 1.51 -1.26 -1.72 117.35 119.24 3gcm s TYR 161 Ca 0.07 1.59 0.02 0.00 -1.01 0.00 0.00 57.07 57.75 3gcm s TYR 161 Cb -0.10 -3.24 0.01 0.00 -0.11 0.00 0.00 41.96 38.53 3gcm s TYR 161 CO 0.04 -0.49 -0.20 0.08 -1.11 0.00 0.00 175.55 173.87 3gcm s VAL 162 N 0.30 1.83 -0.04 0.71 1.01 -0.59 -4.96 120.40 118.66 3gcm s VAL 162 Ca 0.51 -0.85 -0.28 0.00 0.00 0.00 0.00 61.98 61.36 3gcm s VAL 162 Cb -0.27 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 3gcm s VAL 162 CO 0.31 0.51 0.91 -0.22 0.00 0.00 0.00 175.10 176.61 3gcm s LEU 163 N 0.78 4.33 -1.05 3.92 2.96 -1.26 -0.34 118.68 128.01 3gcm s LEU 163 Ca -0.09 1.51 -0.20 0.00 -0.22 0.00 0.00 54.13 55.12 3gcm s LEU 163 Cb -0.16 -3.44 0.03 0.00 0.50 0.00 0.00 46.19 43.12 3gcm s LEU 163 CO 0.00 -0.26 0.66 0.59 -1.32 0.00 0.00 176.35 176.02 3gcm n ASN 164 N 4.08 -4.53 -4.77 3.68 3.02 0.16 -4.87 115.26 112.04 3gcm n ASN 164 Ca 0.05 -1.14 -0.38 0.00 -0.03 0.00 0.00 54.58 53.07 3gcm n ASN 164 Cb 0.51 -1.79 0.00 0.00 -0.61 0.00 0.00 39.78 37.88 3gcm n ASN 164 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3gcm s PRO 165 N -6.34 3.72 0.94 3.52 0.04 -1.26 -5.01 135.00 130.61 3gcm s PRO 165 Ca 0.29 1.95 -0.12 0.00 0.04 0.00 0.00 61.00 63.16 3gcm s PRO 165 Cb -0.16 -2.48 0.15 0.00 0.04 0.00 0.00 34.50 32.05 3gcm s PRO 165 CO 0.94 -0.63 1.10 0.95 0.04 0.00 0.00 177.00 179.39 3gcm s THR 166 N -1.42 2.37 0.44 1.26 -4.23 -1.26 -4.75 115.64 108.05 3gcm s THR 166 Ca 0.63 0.12 0.10 0.00 -1.18 0.00 0.00 61.69 61.36 3gcm s THR 166 Cb -0.33 -2.64 0.26 0.00 1.34 0.00 0.00 72.50 71.13 3gcm s THR 166 CO 0.41 -0.16 2.08 1.56 -0.54 0.00 0.00 174.62 177.97 3gcm h GLN 167 N -1.68 0.36 -0.30 3.99 1.08 -1.85 0.45 115.11 117.15 3gcm h GLN 167 Ca -0.52 -0.02 -0.18 0.00 -1.45 0.00 0.00 58.65 56.48 3gcm h GLN 167 Cb 1.31 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.66 3gcm h GLN 167 CO 0.57 0.24 -0.53 -0.44 -0.95 0.00 0.00 178.83 177.72 3gcm h ASP 168 N 0.37 0.97 0.23 1.46 3.32 -1.92 -3.23 116.42 117.62 3gcm h ASP 168 Ca 0.10 -0.51 -0.11 0.00 0.02 0.00 0.00 57.03 56.52 3gcm h ASP 168 Cb -0.03 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 3gcm h ASP 168 CO -0.02 1.31 -0.44 -0.33 -1.72 0.00 0.00 179.24 178.05 3gcm h GLU 169 N 0.68 0.26 0.00 3.56 5.08 -1.67 -3.01 114.58 119.48 3gcm h GLU 169 Ca 0.02 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3gcm h GLU 169 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3gcm h GLU 169 CO 0.12 0.66 0.00 -0.07 -1.00 0.00 0.00 179.01 178.72 3gcm h LEU 170 N 0.22 0.00 -2.04 1.33 3.38 -0.96 -1.73 115.31 115.51 3gcm h LEU 170 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3gcm h LEU 170 Cb 0.86 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3gcm h LEU 170 CO 0.07 0.00 -0.07 0.11 0.09 0.00 0.00 178.44 178.64 3gcm h LYS 171 N 0.00 0.00 -0.02 1.13 1.57 -1.57 -2.54 116.57 115.14 3gcm h LYS 171 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gcm h LYS 171 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3gcm h LYS 171 CO 0.00 0.07 -0.34 0.39 -0.57 0.00 0.00 179.45 179.00 3gcm n GLU 172 N -3.39 1.51 -3.12 3.15 -0.58 -0.66 -5.00 120.64 112.56 3gcm n GLU 172 Ca -0.01 -1.14 -0.39 0.00 -0.42 0.00 0.00 57.16 55.19 3gcm n GLU 172 Cb 0.22 -1.42 -0.06 0.00 -0.57 0.00 0.00 31.44 29.61 3gcm n GLU 172 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3gcm s SER 173 N -2.20 7.21 0.00 1.62 0.15 -0.96 -4.65 113.70 114.87 3gcm s SER 173 Ca 0.19 1.45 0.22 0.00 0.70 0.00 0.00 55.95 58.52 3gcm s SER 173 Cb 0.17 -2.43 0.68 0.00 -1.71 0.00 0.00 66.02 62.73 3gcm s SER 173 CO 0.47 0.21 1.52 0.29 1.20 0.00 0.00 173.24 176.93 3gcm n LYS 174 N 1.51 1.92 -3.74 5.44 4.01 -0.74 -4.92 118.16 121.65 3gcm n LYS 174 Ca -0.07 -1.37 -0.13 0.00 -0.51 0.00 0.00 58.31 56.22 3gcm n LYS 174 Cb 0.50 -1.43 -0.10 0.00 -0.51 0.00 0.00 35.03 33.49 3gcm n LYS 174 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 3gcm s LEU 175 N -1.62 0.49 -0.33 -0.35 2.96 -1.26 -0.91 118.68 117.66 3gcm s LEU 175 Ca 0.34 0.72 -0.01 0.00 -0.22 0.00 0.00 54.13 54.96 3gcm s LEU 175 Cb 0.19 1.38 0.11 0.00 0.50 0.00 0.00 46.19 48.37 3gcm s LEU 175 CO 0.28 -0.18 0.13 -0.62 -1.32 0.00 0.00 176.35 174.64 3gcm s ASP 176 N 0.01 3.84 -0.04 3.68 -1.08 -0.15 -4.00 116.67 118.93 3gcm s ASP 176 Ca -0.02 -1.77 0.07 0.00 -0.52 0.00 0.00 52.55 50.31 3gcm s ASP 176 Cb -0.03 -0.79 -0.01 0.00 -1.46 0.00 0.00 42.92 40.63 3gcm s ASP 176 CO 0.01 -0.39 -0.24 -0.22 0.52 0.00 0.00 175.17 174.85 3gcm s LEU 177 N 1.47 2.05 -0.13 -1.34 0.20 -0.78 -1.69 118.68 118.45 3gcm s LEU 177 Ca 0.11 -0.47 0.02 0.00 0.69 0.00 0.00 54.13 54.49 3gcm s LEU 177 Cb -0.18 -1.30 0.01 0.00 -0.43 0.00 0.00 46.19 44.29 3gcm s LEU 177 CO -0.21 0.27 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.22 3gcm s VAL 178 N -0.36 1.93 -0.04 1.68 1.01 0.28 0.40 120.40 125.30 3gcm s VAL 178 Ca 0.03 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.15 3gcm s VAL 178 Cb -0.11 -1.72 -0.00 0.00 0.00 0.00 0.00 36.38 34.55 3gcm s VAL 178 CO 0.01 0.53 -0.15 0.54 0.00 0.00 0.00 175.10 176.02 3gcm s VAL 179 N 0.85 1.29 0.01 2.92 0.11 -0.63 -1.05 120.40 123.90 3gcm s VAL 179 Ca -0.07 -0.64 0.03 0.00 -2.93 0.00 0.00 61.98 58.37 3gcm s VAL 179 Cb -0.15 -1.12 -0.01 0.00 -1.53 0.00 0.00 36.38 33.57 3gcm s VAL 179 CO -0.02 0.38 -0.11 0.00 -3.33 0.00 0.00 175.10 172.02 3gcm s ALA 180 N 0.07 0.89 0.06 1.54 0.00 -0.17 -2.05 121.76 122.10 3gcm s ALA 180 Ca -0.04 -0.55 -0.27 0.00 0.00 0.00 0.00 51.96 51.10 3gcm s ALA 180 Cb -0.11 -0.18 0.10 0.00 0.00 0.00 0.00 23.12 22.92 3gcm s ALA 180 CO 0.02 0.19 1.17 0.20 0.00 0.00 0.00 175.76 177.34 3gcm s GLY 181 N -0.55 -0.24 0.00 0.00 0.00 -1.23 -0.50 107.32 104.80 3gcm s GLY 181 Ca 0.02 0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.03 3gcm s GLY 181 CO 0.00 1.37 0.00 -1.30 0.00 0.00 0.00 173.10 173.17 3gcm n THR 182 N -0.59 0.00 -0.07 0.90 -2.24 -0.30 -1.61 114.28 110.37 3gcm n THR 182 Ca -0.05 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.67 3gcm n THR 182 Cb 0.61 -1.78 0.14 0.00 -2.10 0.00 0.00 70.33 67.20 3gcm n THR 182 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3gcm h GLU 183 N 0.00 0.70 0.01 -0.78 4.81 -1.95 -3.35 114.58 114.02 3gcm h GLU 183 Ca 0.00 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3gcm h GLU 183 Cb 0.00 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3gcm h GLU 183 CO 0.00 0.83 -0.01 0.00 -0.73 0.00 0.00 179.01 179.11 3gcm h ALA 184 N 1.18 -0.02 -2.44 2.92 0.00 -1.96 -3.49 119.26 115.45 3gcm h ALA 184 Ca 0.10 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 3gcm h ALA 184 Cb 0.64 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.30 3gcm h ALA 184 CO 0.05 -0.06 -0.54 0.00 0.00 0.00 0.00 179.25 178.70 3gcm s ALA 185 N -2.63 0.42 0.28 0.00 0.00 -1.26 -4.84 121.76 113.72 3gcm s ALA 185 Ca -0.16 -1.15 -0.29 0.00 0.00 0.00 0.00 51.96 50.36 3gcm s ALA 185 Cb -0.02 0.66 -0.09 0.00 0.00 0.00 0.00 23.12 23.67 3gcm s ALA 185 CO 0.60 -0.50 1.05 0.08 0.00 0.00 0.00 175.76 176.99 3gcm s VAL 186 N -3.97 3.69 -0.02 0.00 1.01 -1.26 -1.15 120.40 118.69 3gcm s VAL 186 Ca 0.15 1.66 0.01 0.00 0.00 0.00 0.00 61.98 63.80 3gcm s VAL 186 Cb 0.06 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 3gcm s VAL 186 CO -0.03 0.37 -0.00 0.18 0.00 0.00 0.00 175.10 175.61 3gcm n LEU 187 N 1.16 1.25 -3.77 3.92 4.77 0.35 -4.75 117.00 119.93 3gcm n LEU 187 Ca -0.01 -0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.84 3gcm n LEU 187 Cb 0.46 -0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.41 3gcm n LEU 187 CO 0.52 0.25 -0.16 -0.32 -1.33 0.00 0.00 177.39 176.35 3gcm s MET 188 N -2.04 0.19 -0.04 3.23 0.00 -0.54 -1.78 119.30 118.32 3gcm s MET 188 Ca -0.02 0.37 0.02 0.00 0.00 0.00 0.00 55.69 56.06 3gcm s MET 188 Cb 0.01 -0.02 0.02 0.00 0.00 0.00 0.00 34.83 34.83 3gcm s MET 188 CO 0.06 -0.10 -0.07 0.08 0.00 0.00 0.00 175.02 174.99 3gcm s VAL 189 N 0.69 0.67 -0.07 10.11 1.01 -0.94 -1.00 120.40 130.88 3gcm s VAL 189 Ca -0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 3gcm s VAL 189 Cb -0.06 -0.65 0.03 0.00 0.00 0.00 0.00 36.38 35.69 3gcm s VAL 189 CO -0.04 0.24 -0.01 -0.70 0.00 0.00 0.00 175.10 174.60 3gcm s GLU 190 N 0.68 0.67 0.04 2.72 2.56 -0.21 -1.17 118.70 123.99 3gcm s GLU 190 Ca -0.10 0.07 -0.15 0.00 0.00 0.00 0.00 54.97 54.79 3gcm s GLU 190 Cb -0.13 -0.99 0.02 0.00 2.00 0.00 0.00 34.13 35.03 3gcm s GLU 190 CO 0.01 -0.28 0.32 -1.54 -0.56 0.00 0.00 175.26 173.21 3gcm s SER 191 N 1.87 -0.16 -0.02 -1.70 1.04 -0.95 -0.56 113.70 113.22 3gcm s SER 191 Ca 0.04 -0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.37 3gcm s SER 191 Cb -0.12 0.36 -0.00 0.00 0.10 0.00 0.00 66.02 66.36 3gcm s SER 191 CO -0.05 -0.60 -0.11 -1.83 0.98 0.00 0.00 173.24 171.63 3gcm s GLU 192 N -2.39 1.00 0.06 4.02 -1.05 -0.68 -3.39 118.70 116.26 3gcm s GLU 192 Ca -0.06 -0.37 0.01 0.00 -0.15 0.00 0.00 54.97 54.40 3gcm s GLU 192 Cb -0.01 -0.94 -0.03 0.00 -0.44 0.00 0.00 34.13 32.71 3gcm s GLU 192 CO -0.02 0.18 -0.05 0.00 0.95 0.00 0.00 175.26 176.31 3gcm s ALA 193 N -0.01 0.60 -1.32 -0.84 0.00 0.53 -0.98 121.76 119.74 3gcm s ALA 193 Ca 0.00 -1.02 -0.07 0.00 0.00 0.00 0.00 51.96 50.87 3gcm s ALA 193 Cb -0.07 0.15 0.13 0.00 0.00 0.00 0.00 23.12 23.33 3gcm s ALA 193 CO 0.00 -0.20 2.21 0.39 0.00 0.00 0.00 175.76 178.17 3gcm n GLU 194 N 0.69 4.17 -3.44 0.00 1.02 -0.09 -4.29 120.64 118.70 3gcm n GLU 194 Ca -0.18 -3.43 -0.19 0.00 -0.02 0.00 0.00 57.16 53.35 3gcm n GLU 194 Cb 0.58 -2.76 0.06 0.00 -0.02 0.00 0.00 31.44 29.31 3gcm n GLU 194 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3gcm n LEU 195 N 2.65 -4.39 -4.90 -4.62 4.77 -1.10 -4.96 117.00 104.45 3gcm n LEU 195 Ca 0.54 -0.76 -0.28 0.00 -0.03 0.00 0.00 56.01 55.49 3gcm n LEU 195 Cb 0.29 -2.97 -0.01 0.00 -2.33 0.00 0.00 43.42 38.40 3gcm n LEU 195 CO 0.75 0.28 0.41 -0.76 -1.33 0.00 0.00 177.39 176.73 3gcm s LEU 196 N -6.01 3.74 0.87 2.23 1.43 -1.08 -4.27 118.68 115.60 3gcm s LEU 196 Ca 0.27 0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 54.20 3gcm s LEU 196 Cb -0.05 -3.86 0.12 0.00 0.03 0.00 0.00 46.19 42.42 3gcm s LEU 196 CO 0.77 -0.48 1.14 -0.94 0.23 0.00 0.00 176.35 177.07 3gcm s SER 197 N -3.74 3.86 0.24 2.29 1.04 -1.26 -0.29 113.70 115.85 3gcm s SER 197 Ca 0.48 0.95 -0.07 0.00 0.48 0.00 0.00 55.95 57.80 3gcm s SER 197 Cb -0.10 -1.53 0.25 0.00 0.10 0.00 0.00 66.02 64.74 3gcm s SER 197 CO 0.39 -2.33 1.92 -0.33 0.98 0.00 0.00 173.24 173.87 3gcm h GLU 198 N -1.34 1.24 -0.27 4.02 3.07 -1.97 -1.19 114.58 118.13 3gcm h GLU 198 Ca -0.49 -0.07 -0.14 0.00 -0.50 0.00 0.00 59.36 58.16 3gcm h GLU 198 Cb 1.32 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 28.94 3gcm h GLU 198 CO 0.63 0.82 -0.39 -0.44 -1.40 0.00 0.00 179.01 178.23 3gcm h ASP 199 N 1.28 0.68 -0.16 1.42 3.32 -1.98 -1.16 116.42 119.81 3gcm h ASP 199 Ca 0.36 -0.30 -0.14 0.00 0.02 0.00 0.00 57.03 56.96 3gcm h ASP 199 Cb -0.12 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 3gcm h ASP 199 CO -0.09 1.00 -0.40 1.56 -1.72 0.00 0.00 179.24 179.59 3gcm h GLN 200 N 0.53 0.70 -0.11 3.56 4.20 -1.85 -1.70 115.11 120.43 3gcm h GLN 200 Ca 0.05 -0.36 -0.22 0.00 0.06 0.00 0.00 58.65 58.18 3gcm h GLN 200 Cb 0.91 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.71 3gcm h GLN 200 CO 0.08 0.97 -0.79 0.52 -0.67 0.00 0.00 178.83 178.95 3gcm h MET 201 N 0.57 0.73 -0.47 1.46 2.86 -1.17 -2.84 114.93 116.07 3gcm h MET 201 Ca 0.05 -0.63 -0.10 0.00 -2.06 0.00 0.00 59.70 56.96 3gcm h MET 201 Cb 0.93 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 3gcm h MET 201 CO 0.08 1.24 -0.09 1.25 1.06 0.00 0.00 176.91 180.45 3gcm h LEU 202 N 0.43 0.83 -1.12 1.22 5.85 -1.23 -2.88 115.31 118.40 3gcm h LEU 202 Ca -0.07 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.35 3gcm h LEU 202 Cb 1.43 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 3gcm h LEU 202 CO 0.16 0.95 0.01 1.23 -0.34 0.00 0.00 178.44 180.45 3gcm h GLY 203 N 0.97 0.67 1.34 3.75 0.00 -1.34 -2.20 103.07 106.27 3gcm h GLY 203 Ca 0.13 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 3gcm h GLY 203 CO 0.04 0.38 -0.05 0.00 0.00 0.00 0.00 176.54 176.91 3gcm h ALA 204 N 1.42 1.04 -0.08 3.60 0.00 -1.32 -0.22 119.26 123.71 3gcm h ALA 204 Ca 0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3gcm h ALA 204 Cb 0.36 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3gcm h ALA 204 CO 0.01 0.59 -0.02 0.28 0.00 0.00 0.00 179.25 180.11 3gcm h VAL 205 N 0.73 1.29 -0.36 0.00 2.07 -1.29 -1.90 116.25 116.79 3gcm h VAL 205 Ca 0.13 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 3gcm h VAL 205 Cb 0.52 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 3gcm h VAL 205 CO 0.03 0.26 0.15 0.58 0.02 0.00 0.00 177.57 178.61 3gcm h VAL 206 N -0.18 1.18 0.23 2.57 2.07 -1.34 -0.84 116.25 119.94 3gcm h VAL 206 Ca 0.02 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 67.01 3gcm h VAL 206 Cb 0.42 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3gcm h VAL 206 CO 0.01 0.19 -0.31 0.15 0.02 0.00 0.00 177.57 177.63 3gcm h PHE 207 N 0.43 -0.84 -0.32 1.57 3.57 -1.07 -0.14 116.94 120.14 3gcm h PHE 207 Ca 0.12 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3gcm h PHE 207 Cb 0.16 0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 3gcm h PHE 207 CO -0.01 -0.43 0.20 0.78 -2.23 0.00 0.00 178.31 176.62 3gcm h GLY 208 N -0.60 0.46 1.44 2.40 0.00 -1.28 -0.36 103.07 105.12 3gcm h GLY 208 Ca 0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 47.33 46.98 3gcm h GLY 208 CO -0.11 0.17 -0.60 0.84 0.00 0.00 0.00 176.54 176.84 3gcm h HIS 209 N 0.44 0.74 -0.20 5.60 -0.00 -0.79 -2.91 115.15 118.03 3gcm h HIS 209 Ca 0.12 -0.28 -0.21 0.00 -0.00 0.00 0.00 60.37 60.00 3gcm h HIS 209 Cb -0.03 -0.13 0.01 0.00 -0.00 0.00 0.00 27.41 27.26 3gcm h HIS 209 CO 0.00 1.03 -0.70 0.93 -0.00 0.00 0.00 177.93 179.20 3gcm h GLU 210 N 0.43 0.80 0.00 5.26 5.08 -0.45 -3.31 114.58 122.39 3gcm h GLU 210 Ca -0.00 -0.60 -0.08 0.00 -1.00 0.00 0.00 59.36 57.68 3gcm h GLU 210 Cb 1.17 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 3gcm h GLU 210 CO 0.11 1.21 -0.36 1.96 -1.00 0.00 0.00 179.01 180.94 3gcm h GLN 211 N 0.57 0.00 -0.02 2.33 1.08 -1.11 -3.07 115.11 114.89 3gcm h GLN 211 Ca -0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3gcm h GLN 211 Cb 1.32 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.75 3gcm h GLN 211 CO 0.15 0.36 0.00 0.00 -0.95 0.00 0.00 178.83 178.39 3gcm n GLN 212 N -3.70 1.42 0.25 1.46 10.64 -1.10 -3.97 117.38 122.39 3gcm n GLN 212 Ca -0.01 -0.61 0.13 0.00 -1.83 0.00 0.00 57.00 54.67 3gcm n GLN 212 Cb 0.46 -1.48 0.64 0.00 -0.86 0.00 0.00 30.24 29.00 3gcm n GLN 212 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 3gcm h GLN 213 N 1.47 0.00 -0.05 2.61 1.08 -1.67 -2.21 115.11 116.34 3gcm h GLN 213 Ca 0.00 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.09 3gcm h GLN 213 Cb 0.31 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 3gcm h GLN 213 CO 0.00 0.14 -0.49 -0.24 -0.95 0.00 0.00 178.83 177.29 3gcm h VAL 214 N 0.00 1.35 -0.25 -0.54 3.04 -1.82 -1.69 116.25 116.33 3gcm h VAL 214 Ca -0.00 -1.69 -0.09 0.00 -1.01 0.00 0.00 66.70 63.91 3gcm h VAL 214 Cb 0.51 1.85 -0.01 0.00 -2.01 0.00 0.00 31.29 31.64 3gcm h VAL 214 CO 0.02 0.49 -0.18 0.58 -1.01 0.00 0.00 177.57 177.47 3gcm h VAL 215 N 0.10 1.31 -0.60 1.51 2.07 -1.68 -2.67 116.25 116.30 3gcm h VAL 215 Ca 0.00 -1.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.18 3gcm h VAL 215 Cb 0.90 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 3gcm h VAL 215 CO 0.07 0.41 0.27 0.40 0.02 0.00 0.00 177.57 178.74 3gcm h ILE 216 N 0.27 1.22 -0.68 4.57 2.04 -1.41 -1.88 117.51 121.63 3gcm h ILE 216 Ca 0.05 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 3gcm h ILE 216 Cb 0.72 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 3gcm h ILE 216 CO 0.05 0.25 0.30 1.56 0.00 0.00 0.00 178.15 180.32 3gcm h GLN 217 N 0.82 0.98 0.00 2.37 4.20 -1.33 -2.21 115.11 119.94 3gcm h GLN 217 Ca 0.20 -0.14 -0.18 0.00 0.06 0.00 0.00 58.65 58.58 3gcm h GLN 217 Cb 0.14 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3gcm h GLN 217 CO -0.02 0.78 -0.86 -0.91 -0.67 0.00 0.00 178.83 177.15 3gcm h ASN 218 N 0.98 0.07 -0.45 1.46 2.35 -1.24 -2.65 115.58 116.09 3gcm h ASN 218 Ca 0.23 -0.06 -0.14 0.00 -0.55 0.00 0.00 56.30 55.79 3gcm h ASN 218 Cb 0.14 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 3gcm h ASN 218 CO -0.03 0.89 -0.27 0.40 -1.65 0.00 0.00 177.43 176.77 3gcm h ILE 219 N 0.03 1.27 -1.00 2.81 2.04 -1.24 -2.26 117.51 119.16 3gcm h ILE 219 Ca -0.02 -1.44 0.05 0.00 1.00 0.00 0.00 64.86 64.45 3gcm h ILE 219 Cb 1.51 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 38.74 3gcm h ILE 219 CO 0.12 0.49 0.65 0.78 0.00 0.00 0.00 178.15 180.19 3gcm h ASN 220 N 0.82 1.07 -0.33 1.72 2.35 -1.35 -0.24 115.58 119.62 3gcm h ASN 220 Ca 0.09 -0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.67 3gcm h ASN 220 Cb 0.86 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.99 3gcm h ASN 220 CO 0.08 0.72 -0.44 -0.33 -1.65 0.00 0.00 177.43 175.81 3gcm h GLU 221 N 1.23 0.90 -0.40 0.81 4.39 -1.40 -1.82 114.58 118.29 3gcm h GLU 221 Ca 0.41 -0.50 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 3gcm h GLU 221 Cb 0.06 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 3gcm h GLU 221 CO -0.14 1.15 -0.06 1.25 -1.16 0.00 0.00 179.01 180.05 3gcm h LEU 222 N 0.72 0.66 -0.76 1.33 5.85 -1.09 -2.55 115.31 119.47 3gcm h LEU 222 Ca 0.05 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.49 3gcm h LEU 222 Cb 1.03 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 3gcm h LEU 222 CO 0.10 0.77 -0.20 0.58 -0.34 0.00 0.00 178.44 179.35 3gcm h VAL 223 N 0.63 1.27 -0.58 1.05 2.07 -0.96 0.12 116.25 119.85 3gcm h VAL 223 Ca 0.12 -1.28 0.05 0.00 0.82 0.00 0.00 66.70 66.40 3gcm h VAL 223 Cb 0.49 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 3gcm h VAL 223 CO 0.03 0.43 0.32 0.11 0.02 0.00 0.00 177.57 178.47 3gcm h LYS 224 N 0.64 0.59 0.12 1.57 1.79 -0.96 0.31 116.57 120.63 3gcm h LYS 224 Ca 0.10 -0.04 -0.17 0.00 -2.18 0.00 0.00 60.65 58.36 3gcm h LYS 224 Cb 0.69 -0.13 0.02 0.00 -1.58 0.00 0.00 32.23 31.22 3gcm h LYS 224 CO 0.05 0.39 -0.75 0.93 -1.08 0.00 0.00 179.45 178.99 3gcm h GLU 225 N 0.60 0.30 0.00 3.15 5.08 -1.28 -3.41 114.58 119.02 3gcm h GLU 225 Ca 0.25 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3gcm h GLU 225 Cb 0.13 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3gcm h GLU 225 CO -0.15 1.21 0.00 0.00 -1.00 0.00 0.00 179.01 179.07 3gcm n ALA 226 N -2.65 2.20 -1.79 3.43 0.00 0.40 -5.05 120.51 117.04 3gcm n ALA 226 Ca -0.13 -0.28 -0.41 0.00 0.00 0.00 0.00 53.44 52.62 3gcm n ALA 226 Cb 0.79 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.22 3gcm n ALA 226 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3gcm s GLY 227 N -0.40 2.75 0.57 0.00 0.00 0.10 -4.97 107.32 105.37 3gcm s GLY 227 Ca 0.00 1.45 -0.15 0.00 0.00 0.00 0.00 44.72 46.02 3gcm s GLY 227 CO 0.00 2.21 1.02 0.54 0.00 0.00 0.00 173.10 176.86 3gcm s LYS 228 N -1.53 3.65 0.36 2.90 1.02 -0.77 -4.99 119.74 120.38 3gcm s LYS 228 Ca 0.54 0.97 -0.27 0.00 0.02 0.00 0.00 55.97 57.23 3gcm s LYS 228 Cb -0.44 -2.09 -0.12 0.00 -0.52 0.00 0.00 37.83 34.66 3gcm s LYS 228 CO 0.55 -0.52 1.27 -0.35 -0.92 0.00 0.00 175.35 175.38 3gcm n PRO 229 N -2.04 2.06 -1.98 -1.68 -0.04 -1.26 -4.46 135.00 125.59 3gcm n PRO 229 Ca 0.07 0.72 -0.42 0.00 -0.04 0.00 0.00 63.50 63.84 3gcm n PRO 229 Cb 0.54 -2.32 -0.03 0.00 -0.04 0.00 0.00 33.50 31.65 3gcm n PRO 229 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3gcm s ARG 230 N -1.94 4.25 0.23 0.54 3.00 -1.26 -4.63 118.95 119.14 3gcm s ARG 230 Ca 0.57 2.32 -0.32 0.00 0.00 0.00 0.00 55.73 58.30 3gcm s ARG 230 Cb -0.56 -3.13 -0.13 0.00 0.00 0.00 0.00 34.95 31.13 3gcm s ARG 230 CO 0.61 -0.50 1.47 0.91 0.00 0.00 0.00 175.30 177.79 3gcm n TRP 231 N 3.03 2.27 -2.38 -0.53 7.02 -0.26 -4.88 117.44 121.70 3gcm n TRP 231 Ca 0.10 0.37 -0.36 0.00 -1.02 0.00 0.00 57.50 56.59 3gcm n TRP 231 Cb 0.40 -2.49 -0.03 0.00 -2.42 0.00 0.00 31.31 26.76 3gcm n TRP 231 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3gcm s ASP 232 N 0.45 6.07 -0.04 -0.99 -1.08 -1.26 -4.88 116.67 114.93 3gcm s ASP 232 Ca 0.70 -1.55 0.05 0.00 -0.52 0.00 0.00 52.55 51.23 3gcm s ASP 232 Cb -0.64 -2.57 -0.01 0.00 -1.46 0.00 0.00 42.92 38.24 3gcm s ASP 232 CO 0.47 -1.93 -0.20 0.86 0.52 0.00 0.00 175.17 174.89 3gcm s TRP 233 N 6.80 1.99 0.01 -5.34 -0.00 -1.26 -5.14 118.94 116.00 3gcm s TRP 233 Ca 0.56 -0.55 0.05 0.00 -0.00 0.00 0.00 56.10 56.16 3gcm s TRP 233 Cb -0.01 -1.32 -0.02 0.00 -0.00 0.00 0.00 33.47 32.13 3gcm s TRP 233 CO -0.00 -0.17 -0.15 -0.65 -0.00 0.00 0.00 176.95 175.98 3gcm s GLN 234 N -0.10 1.14 0.83 5.86 -1.52 -1.26 -5.13 119.66 119.47 3gcm s GLN 234 Ca -0.02 -0.67 -0.11 0.00 -1.95 0.00 0.00 55.36 52.61 3gcm s GLN 234 Cb -0.12 -1.14 0.09 0.00 -0.22 0.00 0.00 33.01 31.62 3gcm s GLN 234 CO 0.02 0.30 1.09 -1.25 -0.25 0.00 0.00 175.29 175.20 3gcm s PRO 235 N -0.73 1.83 0.25 2.91 0.04 -1.26 -4.98 135.00 133.05 3gcm s PRO 235 Ca 0.05 0.98 -0.31 0.00 0.04 0.00 0.00 61.00 61.75 3gcm s PRO 235 Cb -0.07 -1.86 -0.13 0.00 0.04 0.00 0.00 34.50 32.48 3gcm s PRO 235 CO 0.00 -1.89 1.52 0.39 0.04 0.00 0.00 177.00 177.06 3gcm n GLU 236 N -3.67 2.34 -1.95 4.56 -0.58 -1.26 -4.93 120.64 115.15 3gcm n GLU 236 Ca 0.08 0.83 -0.41 0.00 -0.42 0.00 0.00 57.16 57.24 3gcm n GLU 236 Cb 0.54 -2.56 -0.02 0.00 -0.57 0.00 0.00 31.44 28.83 3gcm n GLU 236 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3gcm s PRO 237 N -0.15 4.23 0.25 3.49 0.04 -1.26 -4.93 135.00 136.66 3gcm s PRO 237 Ca 0.69 2.37 -0.31 0.00 0.04 0.00 0.00 61.00 63.79 3gcm s PRO 237 Cb -0.59 -3.09 -0.11 0.00 0.04 0.00 0.00 34.50 30.75 3gcm s PRO 237 CO 0.46 -0.48 1.60 0.14 0.04 0.00 0.00 177.00 178.77 3gcm s VAL 238 N -0.00 2.23 -0.53 -0.36 -7.23 -1.26 -4.98 120.40 108.26 3gcm s VAL 238 Ca 0.60 0.18 -0.04 0.00 -1.81 0.00 0.00 61.98 60.91 3gcm s VAL 238 Cb -0.43 -3.11 0.14 0.00 0.56 0.00 0.00 36.38 33.53 3gcm s VAL 238 CO 0.44 0.02 0.35 0.21 -0.31 0.00 0.00 175.10 175.82 3gcm s ASN 239 N 0.74 5.40 0.30 4.85 3.84 -1.26 -4.96 114.94 123.84 3gcm s ASN 239 Ca 0.67 -2.39 0.06 0.00 0.21 0.00 0.00 52.86 51.41 3gcm s ASN 239 Cb -0.47 -1.89 0.46 0.00 -0.55 0.00 0.00 41.25 38.81 3gcm s ASN 239 CO 0.41 -0.50 1.71 -0.33 -2.79 0.00 0.00 177.10 175.60 3gcm h GLU 240 N 7.68 0.26 -0.33 0.43 5.08 -1.99 -0.42 114.58 125.30 3gcm h GLU 240 Ca -0.08 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.05 3gcm h GLU 240 Cb 1.01 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 3gcm h GLU 240 CO 0.73 0.61 -0.23 0.00 -1.00 0.00 0.00 179.01 179.12 3gcm h ALA 241 N 1.38 0.98 0.08 3.43 0.00 -2.00 -2.07 119.26 121.06 3gcm h ALA 241 Ca 0.02 -0.36 -0.26 0.00 0.00 0.00 0.00 54.91 54.31 3gcm h ALA 241 Cb 0.79 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.45 3gcm h ALA 241 CO 0.06 0.60 -1.12 1.25 0.00 0.00 0.00 179.25 180.04 3gcm h LEU 242 N 0.56 0.59 -0.45 0.00 5.85 -1.93 -2.88 115.31 117.05 3gcm h LEU 242 Ca 0.08 -0.54 0.05 0.00 0.84 0.00 0.00 57.88 58.31 3gcm h LEU 242 Cb 0.70 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 3gcm h LEU 242 CO 0.05 1.37 0.17 0.78 -0.34 0.00 0.00 178.44 180.47 3gcm h ASN 243 N 0.19 0.19 0.28 1.25 2.35 -0.98 -2.10 115.58 116.76 3gcm h ASN 243 Ca -0.13 0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 55.55 3gcm h ASN 243 Cb 1.79 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 40.18 3gcm h ASN 243 CO 0.20 0.14 -0.48 0.00 -1.65 0.00 0.00 177.43 175.64 3gcm h ALA 244 N 1.28 1.01 -0.51 -0.83 0.00 -1.44 -1.46 119.26 117.31 3gcm h ALA 244 Ca 0.21 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 3gcm h ALA 244 Cb 0.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3gcm h ALA 244 CO -0.20 0.64 -0.11 0.00 0.00 0.00 0.00 179.25 179.59 3gcm h ARG 245 N 0.19 0.97 -0.13 0.00 3.08 -1.27 -1.36 114.38 115.86 3gcm h ARG 245 Ca 0.01 -0.36 -0.13 0.00 0.07 0.00 0.00 59.98 59.57 3gcm h ARG 245 Cb 0.93 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3gcm h ARG 245 CO 0.08 1.03 -0.42 0.28 -1.07 0.00 0.00 179.97 179.87 3gcm h VAL 246 N 0.83 1.36 -0.44 2.04 2.07 -1.31 -3.15 116.25 117.65 3gcm h VAL 246 Ca 0.13 -1.71 -0.02 0.00 0.82 0.00 0.00 66.70 65.91 3gcm h VAL 246 Cb 0.67 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 3gcm h VAL 246 CO 0.05 0.52 0.17 0.00 0.02 0.00 0.00 177.57 178.32 3gcm h ALA 247 N 0.52 1.47 -0.08 1.67 0.00 -1.28 -0.10 119.26 121.46 3gcm h ALA 247 Ca -0.01 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3gcm h ALA 247 Cb 1.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3gcm h ALA 247 CO 0.09 0.40 -0.17 0.00 0.00 0.00 0.00 179.25 179.57 3gcm h ALA 248 N 1.56 1.57 0.00 0.00 0.00 -1.26 -2.09 119.26 119.04 3gcm h ALA 248 Ca 0.15 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 3gcm h ALA 248 Cb 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3gcm h ALA 248 CO -0.01 0.31 -1.58 1.28 0.00 0.00 0.00 179.25 179.25 3gcm n LEU 249 N -4.28 0.65 0.00 0.00 4.77 -0.77 -4.78 117.00 112.59 3gcm n LEU 249 Ca -0.01 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 3gcm n LEU 249 Cb 0.27 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3gcm n LEU 249 CO 0.37 0.15 -0.45 0.00 -1.33 0.00 0.00 177.39 176.13 3gcm n ALA 250 N -2.41 1.97 -0.21 -1.18 0.00 -0.12 -4.77 120.51 113.79 3gcm n ALA 250 Ca -0.11 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.34 3gcm n ALA 250 Cb 0.83 0.39 0.12 0.00 0.00 0.00 0.00 19.45 20.79 3gcm n ALA 250 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3gcm h GLU 251 N 0.00 0.27 -0.48 0.00 4.81 -1.55 0.11 114.58 117.72 3gcm h GLU 251 Ca 0.00 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 3gcm h GLU 251 Cb 0.90 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 3gcm h GLU 251 CO 0.00 0.18 -0.12 0.00 -0.73 0.00 0.00 179.01 178.33 3gcm h ALA 252 N 1.50 0.87 -0.28 2.92 0.00 -1.89 -1.51 119.26 120.86 3gcm h ALA 252 Ca 0.33 -0.34 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 3gcm h ALA 252 Cb 0.50 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3gcm h ALA 252 CO -0.41 0.64 -0.55 0.00 0.00 0.00 0.00 179.25 178.93 3gcm h ARG 253 N 0.81 0.87 0.00 0.00 3.08 -1.59 -3.02 114.38 114.53 3gcm h ARG 253 Ca 0.13 -0.56 -0.10 0.00 0.07 0.00 0.00 59.98 59.52 3gcm h ARG 253 Cb 0.65 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 3gcm h ARG 253 CO 0.05 1.19 -0.47 -0.07 -1.07 0.00 0.00 179.97 179.60 3gcm h LEU 254 N 0.65 0.00 -0.89 3.04 3.38 -0.79 -1.48 115.31 119.23 3gcm h LEU 254 Ca 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3gcm h LEU 254 Cb 1.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 3gcm h LEU 254 CO 0.12 0.47 0.13 0.28 0.09 0.00 0.00 178.44 179.53 3gcm h SER 255 N 0.00 0.90 0.30 -0.43 0.02 -1.23 -2.01 113.55 111.11 3gcm h SER 255 Ca -0.00 -0.18 -0.22 0.00 -0.84 0.00 0.00 61.79 60.54 3gcm h SER 255 Cb 0.85 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.16 3gcm h SER 255 CO 0.06 0.88 -0.91 0.44 -1.14 0.00 0.00 176.83 176.16 3gcm h ASP 256 N 0.91 0.55 -0.58 3.07 3.32 -1.38 -3.28 116.42 119.02 3gcm h ASP 256 Ca 0.19 -0.43 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 3gcm h ASP 256 Cb 0.35 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 3gcm h ASP 256 CO 0.00 1.22 0.28 0.00 -1.72 0.00 0.00 179.24 179.03 3gcm h ALA 257 N 0.75 1.34 -0.23 3.45 0.00 -1.08 -2.08 119.26 121.42 3gcm h ALA 257 Ca -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3gcm h ALA 257 Cb 1.54 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3gcm h ALA 257 CO 0.16 0.51 0.01 0.66 0.00 0.00 0.00 179.25 180.59 3gcm n TYR 258 N -4.34 0.83 0.26 0.00 4.01 -0.77 -2.45 117.16 114.69 3gcm n TYR 258 Ca 0.05 -0.31 0.03 0.00 -0.16 0.00 0.00 57.90 57.51 3gcm n TYR 258 Cb 0.14 -0.27 -0.03 0.00 -0.31 0.00 0.00 39.34 38.86 3gcm n TYR 258 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3gcm n ARG 259 N 0.22 4.89 -2.32 -0.72 1.74 -0.79 -4.57 116.66 115.12 3gcm n ARG 259 Ca 0.11 -0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.76 3gcm n ARG 259 Cb 0.63 -0.79 -0.02 0.00 -1.02 0.00 0.00 32.46 31.26 3gcm n ARG 259 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3gcm s ILE 260 N -1.58 4.09 0.01 0.55 1.01 -1.03 -4.91 121.20 119.35 3gcm s ILE 260 Ca 0.02 1.31 0.03 0.00 0.00 0.00 0.00 60.65 62.01 3gcm s ILE 260 Cb 0.04 -3.88 -0.25 0.00 0.01 0.00 0.00 42.46 38.38 3gcm s ILE 260 CO 0.24 -0.15 0.89 0.71 0.00 0.00 0.00 174.94 176.62 3gcm h THR 261 N 5.57 1.18 -2.83 2.92 1.35 -1.88 -3.43 112.91 115.79 3gcm h THR 261 Ca -0.29 -2.89 -0.54 0.00 -0.55 0.00 0.00 66.41 62.14 3gcm h THR 261 Cb 1.12 2.69 0.01 0.00 -1.73 0.00 0.00 68.15 70.24 3gcm h THR 261 CO 0.97 0.78 0.88 -0.62 -0.25 0.00 0.00 175.52 177.28 3gcm s ASP 262 N -6.71 6.73 0.07 5.36 2.15 -1.26 -4.76 116.67 118.25 3gcm s ASP 262 Ca -0.06 2.32 -0.24 0.00 0.43 0.00 0.00 52.55 55.00 3gcm s ASP 262 Cb 0.08 -2.57 -0.16 0.00 -0.30 0.00 0.00 42.92 39.97 3gcm s ASP 262 CO 0.84 -0.78 1.64 0.50 -0.17 0.00 0.00 175.17 177.20 3gcm h LYS 263 N 7.79 -0.06 -0.65 4.34 3.64 -1.99 -0.94 116.57 128.69 3gcm h LYS 263 Ca -0.41 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.02 3gcm h LYS 263 Cb 1.19 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 3gcm h LYS 263 CO 0.91 0.04 0.39 1.96 -2.27 0.00 0.00 179.45 180.48 3gcm h GLN 264 N -0.16 0.73 -0.23 1.90 4.20 -1.98 -1.42 115.11 118.14 3gcm h GLN 264 Ca -0.01 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.52 3gcm h GLN 264 Cb 0.14 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3gcm h GLN 264 CO 0.01 0.48 -0.45 1.49 -0.67 0.00 0.00 178.83 179.69 3gcm h GLU 265 N 0.75 0.59 0.24 1.46 4.81 -1.95 -1.81 114.58 118.67 3gcm h GLU 265 Ca 0.27 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3gcm h GLU 265 Cb 0.08 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.48 3gcm h GLU 265 CO -0.13 0.92 -0.11 -0.09 -0.73 0.00 0.00 179.01 178.86 3gcm h ARG 266 N 0.47 -0.31 -0.41 1.92 2.43 -0.82 -2.51 114.38 115.16 3gcm h ARG 266 Ca 0.03 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 3gcm h ARG 266 Cb 0.97 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.55 3gcm h ARG 266 CO 0.09 0.01 0.16 1.88 -1.51 0.00 0.00 179.97 180.60 3gcm h TYR 267 N -0.65 0.30 -1.01 2.20 0.05 -1.31 0.16 116.97 116.71 3gcm h TYR 267 Ca -0.03 0.02 0.20 0.00 0.05 0.00 0.00 58.73 58.97 3gcm h TYR 267 Cb 0.46 -0.07 -0.11 0.00 1.01 0.00 0.00 36.73 38.02 3gcm h TYR 267 CO 0.03 0.13 0.61 0.00 -1.05 0.00 0.00 178.16 177.87 3gcm h ALA 268 N 1.25 1.70 0.22 3.88 0.00 -1.33 0.16 119.26 125.13 3gcm h ALA 268 Ca 0.18 0.09 -0.34 0.00 0.00 0.00 0.00 54.91 54.85 3gcm h ALA 268 Cb 0.15 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.90 3gcm h ALA 268 CO -0.17 -0.10 -1.57 0.37 0.00 0.00 0.00 179.25 177.78 3gcm h GLN 269 N 0.72 0.46 -0.99 0.00 5.75 -0.83 -2.76 115.11 117.47 3gcm h GLN 269 Ca 0.60 -0.79 0.05 0.00 -0.15 0.00 0.00 58.65 58.36 3gcm h GLN 269 Cb 0.98 0.29 -0.06 0.00 1.07 0.00 0.00 27.48 29.76 3gcm h GLN 269 CO -0.40 1.37 0.64 0.28 -2.65 0.00 0.00 178.83 178.07 3gcm h VAL 270 N 0.13 1.12 -0.51 2.39 2.07 -0.19 -0.81 116.25 120.44 3gcm h VAL 270 Ca -0.28 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 3gcm h VAL 270 Cb 2.13 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 3gcm h VAL 270 CO 0.23 0.22 0.04 -0.78 0.02 0.00 0.00 177.57 177.30 3gcm h ASP 271 N 1.20 0.86 -0.58 0.57 3.58 -1.03 -2.08 116.42 118.94 3gcm h ASP 271 Ca 0.41 -0.29 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 3gcm h ASP 271 Cb 0.09 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.88 3gcm h ASP 271 CO -0.15 0.93 0.25 0.58 -2.88 0.00 0.00 179.24 177.97 3gcm h VAL 272 N 0.76 1.22 -0.30 2.25 2.07 -1.13 -0.63 116.25 120.49 3gcm h VAL 272 Ca 0.15 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3gcm h VAL 272 Cb 0.47 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3gcm h VAL 272 CO 0.02 0.26 0.19 0.40 0.02 0.00 0.00 177.57 178.46 3gcm h ILE 273 N 0.79 1.09 -0.52 4.57 2.04 -1.09 -1.72 117.51 122.68 3gcm h ILE 273 Ca 0.20 -0.19 -0.11 0.00 1.00 0.00 0.00 64.86 65.76 3gcm h ILE 273 Cb 0.17 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3gcm h ILE 273 CO -0.02 0.09 -0.10 0.11 0.00 0.00 0.00 178.15 178.23 3gcm h LYS 274 N 0.39 0.98 -0.17 2.37 1.57 -1.20 -1.36 116.57 119.15 3gcm h LYS 274 Ca 0.11 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 3gcm h LYS 274 Cb -0.02 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3gcm h LYS 274 CO -0.02 1.04 0.04 0.77 -0.57 0.00 0.00 179.45 180.70 3gcm h SER 275 N 0.85 0.27 -0.46 0.86 0.02 -1.05 -2.19 113.55 111.85 3gcm h SER 275 Ca 0.14 -0.24 -0.12 0.00 -0.84 0.00 0.00 61.79 60.73 3gcm h SER 275 Cb 0.66 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 3gcm h SER 275 CO 0.05 0.44 -0.16 -0.33 -1.14 0.00 0.00 176.83 175.68 3gcm h GLU 276 N 0.09 0.95 -0.39 3.45 5.08 -1.31 -1.98 114.58 120.47 3gcm h GLU 276 Ca 0.05 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 3gcm h GLU 276 Cb 0.28 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3gcm h GLU 276 CO 0.00 1.04 0.08 1.15 -1.00 0.00 0.00 179.01 180.28 3gcm h THR 277 N 0.84 1.23 -0.34 1.13 2.02 -1.25 -1.68 112.91 114.86 3gcm h THR 277 Ca 0.12 -0.81 -0.08 0.00 0.77 0.00 0.00 66.41 66.41 3gcm h THR 277 Cb 0.72 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 3gcm h THR 277 CO 0.06 0.28 -0.10 0.40 0.37 0.00 0.00 175.52 176.53 3gcm h ILE 278 N 0.48 1.28 -0.60 3.11 2.04 -1.37 -2.40 117.51 120.05 3gcm h ILE 278 Ca 0.12 -1.16 -0.04 0.00 1.00 0.00 0.00 64.86 64.77 3gcm h ILE 278 Cb 0.33 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 3gcm h ILE 278 CO 0.00 0.38 0.20 0.00 0.00 0.00 0.00 178.15 178.74 3gcm h ALA 279 N 0.81 1.23 -0.54 1.87 0.00 -1.35 -0.59 119.26 120.68 3gcm h ALA 279 Ca 0.08 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 3gcm h ALA 279 Cb 0.60 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3gcm h ALA 279 CO 0.04 0.55 -0.10 1.15 0.00 0.00 0.00 179.25 180.89 3gcm h THR 280 N 0.87 1.27 -0.01 0.00 2.02 -1.24 -2.62 112.91 113.20 3gcm h THR 280 Ca 0.20 -1.25 -0.21 0.00 0.77 0.00 0.00 66.41 65.92 3gcm h THR 280 Cb 0.23 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3gcm h THR 280 CO -0.01 0.44 -0.87 -0.07 0.37 0.00 0.00 175.52 175.38 3gcm h LEU 281 N 0.90 0.42 -0.29 2.58 3.38 -1.15 -3.05 115.31 118.09 3gcm h LEU 281 Ca 0.14 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3gcm h LEU 281 Cb 0.66 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3gcm h LEU 281 CO 0.05 1.11 0.00 0.18 0.09 0.00 0.00 178.44 179.86 3gcm n LEU 282 N -3.74 0.67 0.05 1.67 4.77 -0.25 -1.67 117.00 118.50 3gcm n LEU 282 Ca -0.05 0.61 -0.11 0.00 -0.03 0.00 0.00 56.01 56.43 3gcm n LEU 282 Cb 0.79 -0.44 -0.13 0.00 -2.33 0.00 0.00 43.42 41.31 3gcm n LEU 282 CO 0.49 -0.33 -0.14 0.00 -1.33 0.00 0.00 177.39 176.08 3gcm h ALA 283 N 2.44 0.40 -0.02 -1.18 0.00 -1.41 -3.12 119.26 116.38 3gcm h ALA 283 Ca 0.00 -1.08 -0.09 0.00 0.00 0.00 0.00 54.91 53.73 3gcm h ALA 283 Cb 0.55 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.46 3gcm h ALA 283 CO 0.00 1.27 -0.35 0.93 0.00 0.00 0.00 179.25 181.10 3gcm h GLU 284 N 0.02 0.27 -2.37 0.00 5.08 -1.42 -3.44 114.58 112.73 3gcm h GLU 284 Ca -0.14 -0.27 -0.35 0.00 -1.00 0.00 0.00 59.36 57.60 3gcm h GLU 284 Cb 1.90 0.07 -0.35 0.00 0.50 0.00 0.00 28.75 30.87 3gcm h GLU 284 CO 0.13 0.96 -0.65 0.34 -1.00 0.00 0.00 179.01 178.79 3gcm s ASP 285 N -6.44 1.81 0.00 1.42 2.15 -0.67 -5.03 116.67 109.92 3gcm s ASP 285 Ca -0.15 -0.62 0.28 0.00 0.43 0.00 0.00 52.55 52.49 3gcm s ASP 285 Cb 0.02 0.35 1.50 0.00 -0.30 0.00 0.00 42.92 44.49 3gcm s ASP 285 CO 0.77 -0.37 1.99 -1.84 -0.17 0.00 0.00 175.17 175.55 3gcm n GLU 286 N 5.31 0.55 -0.08 4.34 0.28 -1.18 -3.05 120.64 126.80 3gcm n GLU 286 Ca -0.04 0.02 0.11 0.00 -0.16 0.00 0.00 57.16 57.09 3gcm n GLU 286 Cb 0.47 -1.50 0.36 0.00 1.43 0.00 0.00 31.44 32.19 3gcm n GLU 286 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3gcm n THR 287 N -1.20 0.22 -2.39 3.84 -2.24 -1.26 -4.92 114.28 106.33 3gcm n THR 287 Ca 0.16 -0.40 -0.40 0.00 -2.27 0.00 0.00 64.05 61.13 3gcm n THR 287 Cb 0.18 0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 68.91 3gcm n THR 287 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3gcm s LEU 288 N -1.63 4.52 -0.19 3.22 1.43 -1.17 -4.99 118.68 119.87 3gcm s LEU 288 Ca 0.34 2.37 -0.29 0.00 -1.03 0.00 0.00 54.13 55.52 3gcm s LEU 288 Cb 0.19 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.77 3gcm s LEU 288 CO 0.28 -0.24 1.23 -0.62 0.23 0.00 0.00 176.35 177.24 3gcm s ASP 289 N -0.77 6.94 0.24 2.29 2.15 -1.26 -4.93 116.67 121.32 3gcm s ASP 289 Ca 0.46 1.59 -0.00 0.00 0.43 0.00 0.00 52.55 55.02 3gcm s ASP 289 Cb -0.34 -2.54 0.27 0.00 -0.30 0.00 0.00 42.92 40.01 3gcm s ASP 289 CO 0.44 -0.79 1.63 -0.08 -0.17 0.00 0.00 175.17 176.21 3gcm h GLU 290 N 8.22 0.55 -0.52 4.34 4.81 -1.98 -2.38 114.58 127.63 3gcm h GLU 290 Ca -0.25 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 58.70 3gcm h GLU 290 Cb 1.10 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 3gcm h GLU 290 CO 0.98 0.82 0.23 -0.91 -0.73 0.00 0.00 179.01 179.40 3gcm h ASN 291 N 0.47 0.69 -0.73 1.04 2.35 -1.98 -1.86 115.58 115.56 3gcm h ASN 291 Ca 0.05 -0.15 -0.06 0.00 -0.55 0.00 0.00 56.30 55.59 3gcm h ASN 291 Cb 0.82 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.98 3gcm h ASN 291 CO 0.07 0.65 0.23 -0.08 -1.65 0.00 0.00 177.43 176.65 3gcm h GLU 292 N 0.69 1.15 -0.71 0.81 4.81 -1.94 -1.46 114.58 117.92 3gcm h GLU 292 Ca 0.17 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3gcm h GLU 292 Cb 0.16 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 3gcm h GLU 292 CO -0.02 0.98 0.36 -0.07 -0.73 0.00 0.00 179.01 179.53 3gcm h LEU 293 N 1.10 0.90 -1.06 1.64 3.38 -1.29 -1.45 115.31 118.53 3gcm h LEU 293 Ca 0.24 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 3gcm h LEU 293 Cb 0.31 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3gcm h LEU 293 CO -0.01 0.75 -0.21 1.23 0.09 0.00 0.00 178.44 180.29 3gcm h GLY 294 N 1.06 0.45 1.56 0.83 0.00 -0.82 -2.22 103.07 103.92 3gcm h GLY 294 Ca 0.25 -0.34 -0.21 0.00 0.00 0.00 0.00 47.33 47.03 3gcm h GLY 294 CO -0.04 0.31 -0.86 0.83 0.00 0.00 0.00 176.54 176.79 3gcm h GLU 295 N 0.38 0.41 -0.37 4.80 5.08 -0.73 -2.13 114.58 122.02 3gcm h GLU 295 Ca 0.06 -0.40 -0.15 0.00 -1.00 0.00 0.00 59.36 57.87 3gcm h GLU 295 Cb 0.58 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3gcm h GLU 295 CO 0.04 1.06 -0.37 0.82 -1.00 0.00 0.00 179.01 179.55 3gcm h ILE 296 N 0.25 1.28 -0.69 3.13 2.04 -1.25 -2.12 117.51 120.16 3gcm h ILE 296 Ca -0.06 -1.55 -0.05 0.00 1.00 0.00 0.00 64.86 64.21 3gcm h ILE 296 Cb 1.47 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.90 3gcm h ILE 296 CO 0.15 0.51 0.25 -0.07 0.00 0.00 0.00 178.15 178.99 3gcm h LEU 297 N 0.72 0.95 -0.87 1.44 3.38 -1.39 -1.94 115.31 117.60 3gcm h LEU 297 Ca 0.06 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 3gcm h LEU 297 Cb 0.95 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3gcm h LEU 297 CO 0.09 0.86 -0.45 -0.74 0.09 0.00 0.00 178.44 178.30 3gcm h HIS 298 N 1.00 0.30 -0.25 1.13 2.76 -1.31 -2.34 115.15 116.44 3gcm h HIS 298 Ca 0.23 -0.09 -0.12 0.00 -2.20 0.00 0.00 60.37 58.19 3gcm h HIS 298 Cb 0.23 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 3gcm h HIS 298 CO 0.02 0.66 -0.36 0.00 -1.30 0.00 0.00 177.93 176.95 3gcm h ALA 299 N 1.33 0.90 -0.27 5.26 0.00 -1.01 -1.39 119.26 124.09 3gcm h ALA 299 Ca 0.01 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 3gcm h ALA 299 Cb 0.88 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3gcm h ALA 299 CO 0.07 0.63 -0.16 0.82 0.00 0.00 0.00 179.25 180.61 3gcm h ILE 300 N 0.46 1.30 -0.26 0.00 2.04 -1.26 -2.13 117.51 117.66 3gcm h ILE 300 Ca 0.05 -1.27 0.06 0.00 1.00 0.00 0.00 64.86 64.69 3gcm h ILE 300 Cb 0.85 1.55 -0.06 0.00 -0.74 0.00 0.00 36.82 38.42 3gcm h ILE 300 CO 0.07 0.40 -0.13 -0.33 0.00 0.00 0.00 178.15 178.16 3gcm h GLU 301 N 0.31 -0.10 -0.15 2.37 5.08 -1.33 -1.90 114.58 118.87 3gcm h GLU 301 Ca 0.06 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3gcm h GLU 301 Cb 0.69 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3gcm h GLU 301 CO 0.05 -0.07 0.09 -0.22 -1.00 0.00 0.00 179.01 177.86 3gcm h LYS 302 N -0.10 0.20 -0.76 2.33 3.64 -1.22 -2.66 116.57 118.00 3gcm h LYS 302 Ca 0.14 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 3gcm h LYS 302 Cb 0.31 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 3gcm h LYS 302 CO -0.33 0.19 0.28 -0.97 -2.27 0.00 0.00 179.45 176.35 3gcm h ASN 303 N 0.15 1.07 -0.26 4.20 -1.24 -1.29 -0.91 115.58 117.32 3gcm h ASN 303 Ca 0.05 -0.19 -0.00 0.00 0.71 0.00 0.00 56.30 56.87 3gcm h ASN 303 Cb 0.04 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.80 3gcm h ASN 303 CO -0.01 0.97 0.15 0.58 -1.29 0.00 0.00 177.43 177.84 3gcm h VAL 304 N 1.12 1.09 -0.18 2.57 2.07 -1.23 -1.37 116.25 120.31 3gcm h VAL 304 Ca 0.25 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.46 3gcm h VAL 304 Cb 0.25 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3gcm h VAL 304 CO -0.02 0.09 -0.21 0.58 0.02 0.00 0.00 177.57 178.04 3gcm h VAL 305 N 0.32 1.34 -0.25 2.57 2.07 -1.38 -3.07 116.25 117.85 3gcm h VAL 305 Ca 0.09 -1.39 -0.04 0.00 0.82 0.00 0.00 66.70 66.18 3gcm h VAL 305 Cb 0.01 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3gcm h VAL 305 CO -0.02 0.42 -0.01 0.03 0.02 0.00 0.00 177.57 178.02 3gcm h ARG 306 N 0.13 0.45 -0.01 1.57 3.08 -1.13 -2.65 114.38 115.82 3gcm h ARG 306 Ca 0.03 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.85 3gcm h ARG 306 Cb 0.76 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 3gcm h ARG 306 CO 0.05 0.63 -0.38 0.66 -1.07 0.00 0.00 179.97 179.86 3gcm h SER 307 N 0.23 0.02 0.12 7.04 4.64 -1.36 -1.84 113.55 122.40 3gcm h SER 307 Ca 0.07 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.27 3gcm h SER 307 Cb 0.43 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3gcm h SER 307 CO 0.01 0.40 -0.40 0.03 -0.87 0.00 0.00 176.83 176.00 3gcm h ARG 308 N 0.02 0.37 -0.20 4.77 3.08 -1.46 -1.14 114.38 119.81 3gcm h ARG 308 Ca -0.00 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 3gcm h ARG 308 Cb 0.68 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.72 3gcm h ARG 308 CO 0.05 0.71 -0.14 0.28 -1.07 0.00 0.00 179.97 179.80 3gcm h VAL 309 N 0.31 1.32 -0.20 2.04 2.07 -1.07 -1.70 116.25 119.01 3gcm h VAL 309 Ca 0.03 -1.26 -0.10 0.00 0.82 0.00 0.00 66.70 66.19 3gcm h VAL 309 Cb 0.84 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 3gcm h VAL 309 CO 0.07 0.38 -0.30 -0.07 0.02 0.00 0.00 177.57 177.67 3gcm h LEU 310 N 0.13 0.40 -0.33 2.57 3.38 -1.30 -2.71 115.31 117.45 3gcm h LEU 310 Ca 0.04 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3gcm h LEU 310 Cb 0.66 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3gcm h LEU 310 CO 0.04 0.69 0.00 0.00 0.09 0.00 0.00 178.44 179.26 3gcm n ALA 311 N -2.48 1.94 -0.77 1.53 0.00 -0.44 -4.91 120.51 115.38 3gcm n ALA 311 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3gcm n ALA 311 Cb 0.42 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3gcm n ALA 311 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gcm n GLY 312 N 0.59 0.58 3.88 0.00 0.00 -1.02 -5.07 105.19 104.14 3gcm n GLY 312 Ca 0.04 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 3gcm n GLY 312 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gcm s GLU 313 N -1.56 3.26 0.49 1.61 2.02 -0.65 -5.02 118.70 118.84 3gcm s GLU 313 Ca 0.00 0.57 -0.24 0.00 0.02 0.00 0.00 54.97 55.33 3gcm s GLU 313 Cb 0.00 -2.07 -0.07 0.00 0.10 0.00 0.00 34.13 32.08 3gcm s GLU 313 CO 0.00 -0.76 1.35 -2.30 0.02 0.00 0.00 175.26 173.57 3gcm n PRO 314 N -2.83 1.91 -0.86 0.39 -0.02 -1.26 -4.70 135.00 127.63 3gcm n PRO 314 Ca 0.06 0.69 -0.30 0.00 -2.02 0.00 0.00 63.50 61.94 3gcm n PRO 314 Cb 0.56 -2.54 0.24 0.00 -0.02 0.00 0.00 33.50 31.74 3gcm n PRO 314 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3gcm s ARG 315 N -2.57 -1.24 0.27 -0.52 0.52 0.26 -4.78 118.95 110.90 3gcm s ARG 315 Ca 0.66 0.23 0.01 0.00 -0.52 0.00 0.00 55.73 56.10 3gcm s ARG 315 Cb -0.45 -1.57 0.62 0.00 0.52 0.00 0.00 34.95 34.08 3gcm s ARG 315 CO 0.54 -3.78 1.71 0.82 0.02 0.00 0.00 175.30 174.61 3gcm h ILE 316 N -2.64 0.55 -0.06 1.52 2.04 -1.88 0.12 117.51 117.15 3gcm h ILE 316 Ca -0.50 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.22 3gcm h ILE 316 Cb 1.32 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3gcm h ILE 316 CO 0.41 0.08 0.00 -0.90 0.00 0.00 0.00 178.15 177.73 3gcm n ASP 317 N -5.03 1.36 0.00 1.72 5.68 -1.26 -4.15 116.55 114.88 3gcm n ASP 317 Ca 0.19 -1.52 0.00 0.00 -0.50 0.00 0.00 54.79 52.96 3gcm n ASP 317 Cb 0.56 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 3gcm n ASP 317 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gcm n GLY 318 N 1.13 0.44 3.79 6.12 0.00 0.43 -4.94 105.19 112.15 3gcm n GLY 318 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3gcm n GLY 318 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gcm s ARG 319 N -0.90 2.97 0.68 1.61 0.52 -1.26 -4.50 118.95 118.06 3gcm s ARG 319 Ca 0.00 1.22 -0.07 0.00 -0.52 0.00 0.00 55.73 56.36 3gcm s ARG 319 Cb 0.00 -1.98 0.04 0.00 0.52 0.00 0.00 34.95 33.53 3gcm s ARG 319 CO 0.00 -1.10 1.00 -1.21 0.02 0.00 0.00 175.30 174.01 3gcm s GLU 320 N -4.32 2.47 0.51 3.54 0.41 -1.26 -0.57 118.70 119.47 3gcm s GLU 320 Ca 0.64 -0.09 0.24 0.00 -0.41 0.00 0.00 54.97 55.35 3gcm s GLU 320 Cb -0.17 -2.17 1.34 0.00 -1.78 0.00 0.00 34.13 31.35 3gcm s GLU 320 CO 0.43 -1.08 1.96 1.57 -0.49 0.00 0.00 175.26 177.66 3gcm h LYS 321 N -0.50 0.08 -0.21 1.61 2.10 -1.92 -2.61 116.57 115.13 3gcm h LYS 321 Ca -0.45 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 3gcm h LYS 321 Cb 1.29 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3gcm h LYS 321 CO 0.61 0.06 0.00 -0.40 -2.00 0.00 0.00 179.45 177.72 3gcm n ASP 322 N -4.38 3.02 -4.78 7.07 5.75 -1.26 -1.12 116.55 120.85 3gcm n ASP 322 Ca 0.12 -2.52 -0.39 0.00 -0.01 0.00 0.00 54.79 51.99 3gcm n ASP 322 Cb 0.66 -0.33 -0.06 0.00 -1.03 0.00 0.00 41.12 40.36 3gcm n ASP 322 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 3gcm s MET 323 N -1.93 4.27 0.10 0.11 -1.94 -0.99 -4.90 119.30 114.02 3gcm s MET 323 Ca 0.27 0.72 -0.07 0.00 -1.71 0.00 0.00 55.69 54.90 3gcm s MET 323 Cb 0.20 -3.31 -0.06 0.00 2.01 0.00 0.00 34.83 33.68 3gcm s MET 323 CO 0.09 0.45 0.38 0.42 -0.01 0.00 0.00 175.02 176.35 3gcm s ILE 324 N -0.47 5.15 0.92 2.53 -1.09 -1.26 -4.70 121.20 122.28 3gcm s ILE 324 Ca 0.30 0.24 -0.11 0.00 -2.23 0.00 0.00 60.65 58.85 3gcm s ILE 324 Cb -0.18 -3.62 0.14 0.00 -1.58 0.00 0.00 42.46 37.21 3gcm s ILE 324 CO 0.17 0.18 1.09 -0.13 -1.23 0.00 0.00 174.94 175.03 3gcm s ARG 325 N -2.23 1.04 0.50 2.79 0.52 -1.26 -4.98 118.95 115.33 3gcm s ARG 325 Ca 0.36 0.95 -0.24 0.00 -0.52 0.00 0.00 55.73 56.28 3gcm s ARG 325 Cb -0.13 -1.77 -0.07 0.00 0.52 0.00 0.00 34.95 33.50 3gcm s ARG 325 CO 0.21 -2.43 1.39 0.41 0.02 0.00 0.00 175.30 174.90 3gcm n GLY 326 N -0.72 0.89 3.42 -3.53 0.00 -1.26 -4.74 105.19 99.25 3gcm n GLY 326 Ca 0.07 0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3gcm n GLY 326 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gcm s LEU 327 N -2.99 2.47 -0.08 0.99 1.43 -1.26 -1.93 118.68 117.31 3gcm s LEU 327 Ca 0.66 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 53.25 3gcm s LEU 327 Cb -0.44 -1.44 0.04 0.00 0.03 0.00 0.00 46.19 44.39 3gcm s LEU 327 CO 0.54 0.26 0.10 -0.62 0.23 0.00 0.00 176.35 176.86 3gcm s ASP 328 N -1.38 1.17 -0.13 2.29 -1.08 -0.16 -5.01 116.67 112.36 3gcm s ASP 328 Ca 0.14 0.07 0.02 0.00 -0.52 0.00 0.00 52.55 52.26 3gcm s ASP 328 Cb -0.10 0.01 0.00 0.00 -1.46 0.00 0.00 42.92 41.36 3gcm s ASP 328 CO 0.04 -0.26 -0.20 -0.69 0.52 0.00 0.00 175.17 174.58 3gcm s VAL 329 N 2.21 2.34 0.03 1.11 1.01 -1.26 -1.03 120.40 124.81 3gcm s VAL 329 Ca 0.04 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.15 3gcm s VAL 329 Cb -0.13 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 3gcm s VAL 329 CO -0.05 0.54 -0.08 -0.13 0.00 0.00 0.00 175.10 175.38 3gcm s ARG 330 N 0.58 0.58 0.01 2.72 0.52 -0.63 -4.99 118.95 117.73 3gcm s ARG 330 Ca -0.11 -0.58 0.03 0.00 -0.52 0.00 0.00 55.73 54.55 3gcm s ARG 330 Cb -0.16 -0.47 -0.01 0.00 0.52 0.00 0.00 34.95 34.83 3gcm s ARG 330 CO 0.04 0.11 -0.09 0.99 0.02 0.00 0.00 175.30 176.36 3gcm s THR 331 N -0.87 0.73 -0.71 0.02 2.01 -1.26 -1.58 115.64 113.98 3gcm s THR 331 Ca -0.04 -0.55 -0.01 0.00 0.31 0.00 0.00 61.69 61.40 3gcm s THR 331 Cb -0.07 -0.65 0.00 0.00 0.01 0.00 0.00 72.50 71.79 3gcm s THR 331 CO 0.00 0.10 0.60 0.61 -0.69 0.00 0.00 174.62 175.24 3gcm n GLY 332 N 2.55 -0.01 0.13 4.40 0.00 -0.41 -4.96 105.19 106.88 3gcm n GLY 332 Ca -0.15 -0.14 0.04 0.00 0.00 0.00 0.00 46.02 45.77 3gcm n GLY 332 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gcm h VAL 333 N -1.17 0.52 -3.61 1.61 2.07 -1.89 -3.45 116.25 110.33 3gcm h VAL 333 Ca -0.34 -1.84 -0.67 0.00 0.82 0.00 0.00 66.70 64.66 3gcm h VAL 333 Cb 1.20 2.11 -0.28 0.00 -1.52 0.00 0.00 31.29 32.80 3gcm h VAL 333 CO 0.30 0.30 -0.81 -0.76 0.02 0.00 0.00 177.57 176.62 3gcm s LEU 334 N -6.03 2.50 0.09 2.57 1.43 -1.26 -5.07 118.68 112.91 3gcm s LEU 334 Ca 0.01 -0.37 -0.18 0.00 -1.03 0.00 0.00 54.13 52.56 3gcm s LEU 334 Cb 0.08 -1.52 -0.07 0.00 0.03 0.00 0.00 46.19 44.71 3gcm s LEU 334 CO 0.77 0.22 1.55 1.55 0.23 0.00 0.00 176.35 180.67 3gcm h PRO 335 N 6.30 0.47 -0.01 1.29 0.13 -2.04 -3.32 132.00 134.82 3gcm h PRO 335 Ca -0.30 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3gcm h PRO 335 Cb 1.20 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3gcm h PRO 335 CO 0.52 0.60 -0.33 0.54 -0.23 0.00 0.00 178.00 179.09 3gcm n ARG 336 N -4.63 1.14 -2.57 0.86 5.12 -1.26 -4.94 116.66 110.38 3gcm n ARG 336 Ca -0.03 -0.84 -0.32 0.00 -1.93 0.00 0.00 57.85 54.73 3gcm n ARG 336 Cb 0.22 -1.48 -0.05 0.00 -1.16 0.00 0.00 32.46 29.99 3gcm n ARG 336 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 3gcm s THR 337 N -2.44 4.48 0.13 0.55 -1.32 -1.25 -4.99 115.64 110.81 3gcm s THR 337 Ca 0.23 1.32 -0.14 0.00 -1.21 0.00 0.00 61.69 61.89 3gcm s THR 337 Cb 0.19 -3.67 -0.01 0.00 -1.51 0.00 0.00 72.50 67.50 3gcm s THR 337 CO 0.52 -0.54 1.58 0.45 -2.21 0.00 0.00 174.62 174.42 3gcm h HIS 338 N 1.33 0.85 -2.61 9.09 3.86 -1.91 -3.44 115.15 122.31 3gcm h HIS 338 Ca -0.48 -0.15 -0.11 0.00 -1.16 0.00 0.00 60.37 58.47 3gcm h HIS 338 Cb 1.18 -0.22 -0.25 0.00 1.06 0.00 0.00 27.41 29.18 3gcm h HIS 338 CO 0.63 0.84 -0.25 0.20 0.86 0.00 0.00 177.93 180.21 3gcm s GLY 339 N -3.38 -0.35 0.05 2.45 0.00 -1.02 -3.87 107.32 101.20 3gcm s GLY 339 Ca -0.13 1.50 0.02 0.00 0.00 0.00 0.00 44.72 46.11 3gcm s GLY 339 CO 0.81 1.55 -0.07 -1.35 0.00 0.00 0.00 173.10 174.04 3gcm s SER 340 N 1.08 0.87 -0.09 1.64 1.04 -1.26 0.10 113.70 117.07 3gcm s SER 340 Ca -0.07 -0.68 -0.14 0.00 0.48 0.00 0.00 55.95 55.54 3gcm s SER 340 Cb -0.07 0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.15 3gcm s SER 340 CO -0.09 -0.29 0.36 0.00 0.98 0.00 0.00 173.24 174.20 3gcm s ALA 341 N -2.04 -0.91 -0.25 5.32 0.00 0.35 -1.29 121.76 122.94 3gcm s ALA 341 Ca -0.04 0.81 0.02 0.00 0.00 0.00 0.00 51.96 52.75 3gcm s ALA 341 Cb -0.06 -0.35 0.05 0.00 0.00 0.00 0.00 23.12 22.77 3gcm s ALA 341 CO -0.01 -0.21 -0.11 -1.17 0.00 0.00 0.00 175.76 174.25 3gcm s LEU 342 N -0.40 3.27 -0.20 0.00 2.96 -0.62 -0.76 118.68 122.94 3gcm s LEU 342 Ca -0.05 -1.23 -0.05 0.00 -0.22 0.00 0.00 54.13 52.58 3gcm s LEU 342 Cb -0.03 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 3gcm s LEU 342 CO 0.02 -0.16 -0.01 0.12 -1.32 0.00 0.00 176.35 175.00 3gcm s PHE 343 N 1.16 3.03 -0.15 5.38 5.36 -0.84 -1.60 117.98 130.32 3gcm s PHE 343 Ca -0.06 -0.49 0.00 0.00 -0.96 0.00 0.00 56.93 55.42 3gcm s PHE 343 Cb -0.19 -2.07 0.02 0.00 -0.34 0.00 0.00 43.02 40.44 3gcm s PHE 343 CO -0.06 -0.25 -0.14 0.99 -1.46 0.00 0.00 175.22 174.30 3gcm s THR 344 N 0.99 1.55 -0.42 0.12 2.01 -0.20 -1.25 115.64 118.44 3gcm s THR 344 Ca 0.01 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.42 3gcm s THR 344 Cb -0.14 -1.47 0.12 0.00 0.01 0.00 0.00 72.50 71.02 3gcm s THR 344 CO 0.01 0.44 0.16 -0.60 -0.69 0.00 0.00 174.62 173.95 3gcm s ARG 345 N 1.49 1.62 7.76 4.92 3.52 -0.40 -0.99 118.95 136.87 3gcm s ARG 345 Ca 0.05 -2.15 0.00 0.00 -0.13 0.00 0.00 55.73 53.50 3gcm s ARG 345 Cb -0.13 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.18 3gcm s ARG 345 CO -0.11 -1.04 0.00 0.41 -0.81 0.00 0.00 175.30 173.76 3gcm n GLY 346 N 3.73 2.47 2.09 8.12 0.00 -0.81 -2.49 105.19 118.30 3gcm n GLY 346 Ca 0.04 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.53 3gcm n GLY 346 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gcm n GLU 347 N 12.46 2.68 -4.66 1.61 1.02 -1.26 -4.90 120.64 127.60 3gcm n GLU 347 Ca 0.00 -2.86 -0.30 0.00 -0.02 0.00 0.00 57.16 53.98 3gcm n GLU 347 Cb 0.00 -2.14 -0.17 0.00 -0.02 0.00 0.00 31.44 29.12 3gcm n GLU 347 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3gcm s THR 348 N -3.02 1.69 -0.00 2.62 2.01 -1.04 -2.23 115.64 115.67 3gcm s THR 348 Ca 0.53 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.76 3gcm s THR 348 Cb 0.44 -1.51 -0.00 0.00 0.01 0.00 0.00 72.50 71.44 3gcm s THR 348 CO 0.11 0.48 -0.01 -1.58 -0.69 0.00 0.00 174.62 172.93 3gcm s GLN 349 N 0.79 0.08 -0.10 4.92 0.74 0.19 -1.27 119.66 125.02 3gcm s GLN 349 Ca -0.10 -0.03 -0.02 0.00 0.05 0.00 0.00 55.36 55.26 3gcm s GLN 349 Cb -0.16 -0.09 0.04 0.00 1.10 0.00 0.00 33.01 33.90 3gcm s GLN 349 CO 0.01 0.02 0.02 0.00 -0.55 0.00 0.00 175.29 174.79 3gcm s ALA 350 N -0.00 0.68 -0.46 1.58 0.00 -0.38 -1.72 121.76 121.45 3gcm s ALA 350 Ca 0.00 -0.20 -0.22 0.00 0.00 0.00 0.00 51.96 51.54 3gcm s ALA 350 Cb -0.01 -0.83 0.03 0.00 0.00 0.00 0.00 23.12 22.31 3gcm s ALA 350 CO -0.00 -0.64 0.75 -1.17 0.00 0.00 0.00 175.76 174.70 3gcm s LEU 351 N 1.99 4.34 -0.10 0.00 2.96 0.56 -1.98 118.68 126.46 3gcm s LEU 351 Ca 0.04 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 3gcm s LEU 351 Cb -0.13 -2.86 -0.01 0.00 0.50 0.00 0.00 46.19 43.68 3gcm s LEU 351 CO -0.06 -0.91 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.19 3gcm s VAL 352 N 3.19 2.62 0.22 1.68 1.01 0.06 -0.29 120.40 128.90 3gcm s VAL 352 Ca 0.27 -0.83 0.11 0.00 0.00 0.00 0.00 61.98 61.53 3gcm s VAL 352 Cb -0.13 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 3gcm s VAL 352 CO 0.21 0.55 -0.20 0.42 0.00 0.00 0.00 175.10 176.08 3gcm s THR 353 N 0.11 2.55 -0.04 3.92 -4.23 -0.37 -0.50 115.64 117.08 3gcm s THR 353 Ca -0.09 -2.09 0.04 0.00 -1.18 0.00 0.00 61.69 58.37 3gcm s THR 353 Cb -0.15 -2.27 -0.00 0.00 1.34 0.00 0.00 72.50 71.42 3gcm s THR 353 CO 0.06 -0.21 -0.14 0.00 -0.54 0.00 0.00 174.62 173.79 3gcm s ALA 354 N -1.94 1.29 -0.05 3.99 0.00 0.11 -1.86 121.76 123.29 3gcm s ALA 354 Ca 0.24 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.67 3gcm s ALA 354 Cb -0.07 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.61 3gcm s ALA 354 CO 0.12 0.22 -0.12 0.99 0.00 0.00 0.00 175.76 176.98 3gcm s THR 355 N 0.12 1.07 -0.04 0.00 2.01 -0.06 -2.45 115.64 116.29 3gcm s THR 355 Ca -0.04 -0.46 -0.10 0.00 0.31 0.00 0.00 61.69 61.40 3gcm s THR 355 Cb -0.11 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.38 3gcm s THR 355 CO 0.02 0.33 0.29 -0.76 -0.69 0.00 0.00 174.62 173.81 3gcm s LEU 356 N 0.54 4.42 0.00 4.42 1.43 -1.26 -1.28 118.68 126.95 3gcm s LEU 356 Ca -0.11 0.70 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 3gcm s LEU 356 Cb -0.14 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.64 3gcm s LEU 356 CO 0.03 0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.55 3gcm n GLY 357 N 1.69 4.01 3.87 -3.19 0.00 0.11 -4.98 105.19 106.69 3gcm n GLY 357 Ca -0.15 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 3gcm n GLY 357 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gcm s THR 358 N -1.96 1.37 0.55 2.61 2.01 -1.26 -2.70 115.64 116.26 3gcm s THR 358 Ca 0.00 -1.66 0.23 0.00 0.31 0.00 0.00 61.69 60.57 3gcm s THR 358 Cb 0.00 -2.03 0.32 0.00 0.01 0.00 0.00 72.50 70.80 3gcm s THR 358 CO 0.00 0.00 2.17 0.00 -0.69 0.00 0.00 174.62 176.10 3gcm h ALA 359 N 0.89 1.85 0.00 7.40 0.00 -1.97 -0.46 119.26 126.97 3gcm h ALA 359 Ca -0.39 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 3gcm h ALA 359 Cb 1.31 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 3gcm h ALA 359 CO 0.62 -0.09 -0.09 0.00 0.00 0.00 0.00 179.25 179.68 3gcm h ARG 360 N 0.00 0.00 0.00 0.00 -0.00 -2.03 -2.87 114.38 109.47 3gcm h ARG 360 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.51 3gcm h ARG 360 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.12 3gcm h ARG 360 CO -0.00 0.09 -0.55 -0.44 0.00 0.00 0.00 179.97 179.08 3gcm h ASP 361 N 0.00 0.00 -3.11 7.04 3.32 -1.46 -3.47 116.42 118.75 3gcm h ASP 361 Ca -0.00 -0.15 -0.53 0.00 0.02 0.00 0.00 57.03 56.38 3gcm h ASP 361 Cb 0.17 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.78 3gcm h ASP 361 CO 0.01 0.07 0.85 0.00 -1.72 0.00 0.00 179.24 178.45 3gcm s ALA 362 N -3.18 3.73 0.15 3.45 0.00 -1.09 -4.96 121.76 119.86 3gcm s ALA 362 Ca 0.06 1.41 -0.30 0.00 0.00 0.00 0.00 51.96 53.13 3gcm s ALA 362 Cb 0.12 -3.61 -0.07 0.00 0.00 0.00 0.00 23.12 19.56 3gcm s ALA 362 CO 0.71 -0.82 1.11 -1.14 0.00 0.00 0.00 175.76 175.62 3gcm s GLN 363 N 0.28 4.56 -0.32 0.00 0.74 -0.44 -4.82 119.66 119.67 3gcm s GLN 363 Ca 0.65 1.71 -0.15 0.00 0.05 0.00 0.00 55.36 57.62 3gcm s GLN 363 Cb -0.44 -3.30 -0.02 0.00 1.10 0.00 0.00 33.01 30.35 3gcm s GLN 363 CO 0.39 0.01 0.38 0.08 -0.55 0.00 0.00 175.29 175.60 3gcm s VAL 364 N 0.06 5.15 -0.31 1.34 1.01 -1.26 0.46 120.40 126.85 3gcm s VAL 364 Ca 0.51 0.26 -0.11 0.00 0.00 0.00 0.00 61.98 62.64 3gcm s VAL 364 Cb -0.29 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 3gcm s VAL 364 CO 0.33 -0.02 0.20 -0.76 0.00 0.00 0.00 175.10 174.85 3gcm s LEU 365 N 2.08 4.23 -1.39 3.92 1.43 0.32 -4.97 118.68 124.30 3gcm s LEU 365 Ca 0.14 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.83 3gcm s LEU 365 Cb -0.16 -2.09 0.08 0.00 0.03 0.00 0.00 46.19 44.05 3gcm s LEU 365 CO 0.11 -0.17 2.41 -0.67 0.23 0.00 0.00 176.35 178.26 3gcm n ASP 366 N 5.05 7.43 -4.81 2.29 2.03 -1.26 -0.93 116.55 126.34 3gcm n ASP 366 Ca -0.13 -3.00 -0.33 0.00 0.52 0.00 0.00 54.79 51.85 3gcm n ASP 366 Cb 0.50 -1.44 -0.03 0.00 -0.72 0.00 0.00 41.12 39.43 3gcm n ASP 366 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3gcm s GLU 367 N 0.08 3.77 0.34 -0.67 2.02 -1.25 -4.94 118.70 118.04 3gcm s GLU 367 Ca 0.54 1.17 0.05 0.00 0.02 0.00 0.00 54.97 56.75 3gcm s GLU 367 Cb 0.16 -2.10 0.61 0.00 0.10 0.00 0.00 34.13 32.90 3gcm s GLU 367 CO -0.07 -0.43 1.87 1.25 0.02 0.00 0.00 175.26 177.90 3gcm h LEU 368 N 1.12 0.47 -0.12 1.80 5.85 -1.99 -2.38 115.31 120.05 3gcm h LEU 368 Ca -0.48 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.15 3gcm h LEU 368 Cb 1.20 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3gcm h LEU 368 CO 0.60 0.56 -0.05 0.23 -0.34 0.00 0.00 178.44 179.43 3gcm n MET 369 N -4.27 0.64 0.00 1.25 2.81 -1.26 -4.86 117.12 111.43 3gcm n MET 369 Ca 0.01 -0.12 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 3gcm n MET 369 Cb 0.25 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 3gcm n MET 369 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gcm n GLY 370 N 1.25 4.87 3.77 3.03 0.00 -0.89 -4.92 105.19 112.29 3gcm n GLY 370 Ca 0.16 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 3gcm n GLY 370 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gcm s GLU 371 N -4.50 3.86 -0.20 1.61 2.12 -1.25 -3.81 118.70 116.52 3gcm s GLU 371 Ca 0.00 2.02 -0.18 0.00 0.36 0.00 0.00 54.97 57.16 3gcm s GLU 371 Cb 0.00 -2.62 0.05 0.00 0.26 0.00 0.00 34.13 31.83 3gcm s GLU 371 CO 0.00 -0.54 0.53 0.50 -0.54 0.00 0.00 175.26 175.21 3gcm s ARG 372 N -2.41 0.62 -0.23 4.30 3.52 -0.11 -4.95 118.95 119.70 3gcm s ARG 372 Ca 0.60 0.75 -0.06 0.00 -0.13 0.00 0.00 55.73 56.88 3gcm s ARG 372 Cb -0.35 0.30 -0.03 0.00 -1.56 0.00 0.00 34.95 33.32 3gcm s ARG 372 CO 0.44 -0.08 0.04 0.95 -0.81 0.00 0.00 175.30 175.84 3gcm s THR 373 N 0.30 4.13 -0.22 4.11 -4.23 -1.26 0.12 115.64 118.59 3gcm s THR 373 Ca -0.00 -0.24 -0.12 0.00 -1.18 0.00 0.00 61.69 60.14 3gcm s THR 373 Cb -0.04 -2.90 -0.05 0.00 1.34 0.00 0.00 72.50 70.85 3gcm s THR 373 CO 0.00 0.38 0.24 -0.62 -0.54 0.00 0.00 174.62 174.08 3gcm s ASP 374 N 1.34 6.23 -0.01 3.99 -1.08 0.17 -4.94 116.67 122.38 3gcm s ASP 374 Ca 0.05 0.26 0.20 0.00 -0.52 0.00 0.00 52.55 52.53 3gcm s ASP 374 Cb -0.15 -2.15 -0.24 0.00 -1.46 0.00 0.00 42.92 38.93 3gcm s ASP 374 CO 0.02 0.03 0.76 1.07 0.52 0.00 0.00 175.17 177.57 3gcm n THR 375 N 4.24 0.00 -4.10 1.71 5.66 -1.26 -1.33 114.28 119.19 3gcm n THR 375 Ca -0.13 -0.13 -0.33 0.00 -3.05 0.00 0.00 64.05 60.41 3gcm n THR 375 Cb 0.52 0.79 -0.16 0.00 -1.55 0.00 0.00 70.33 69.92 3gcm n THR 375 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 3gcm s PHE 376 N -3.00 2.82 -0.08 1.09 5.36 -1.26 -1.09 117.98 121.81 3gcm s PHE 376 Ca 0.04 -1.64 0.05 0.00 -0.96 0.00 0.00 56.93 54.41 3gcm s PHE 376 Cb 0.15 -1.93 -0.01 0.00 -0.34 0.00 0.00 43.02 40.89 3gcm s PHE 376 CO 0.83 -0.80 -0.23 -0.51 -1.46 0.00 0.00 175.22 173.05 3gcm s LEU 377 N 1.29 2.17 -0.17 6.12 1.43 0.13 -5.01 118.68 124.65 3gcm s LEU 377 Ca 0.04 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.63 3gcm s LEU 377 Cb -0.13 -1.42 0.05 0.00 0.03 0.00 0.00 46.19 44.71 3gcm s LEU 377 CO -0.12 0.21 -0.01 0.12 0.23 0.00 0.00 176.35 176.78 3gcm s PHE 378 N 0.07 1.32 -0.02 0.29 5.36 -1.26 0.11 117.98 123.84 3gcm s PHE 378 Ca -0.10 -0.89 0.05 0.00 -0.96 0.00 0.00 56.93 55.02 3gcm s PHE 378 Cb -0.16 -1.14 -0.03 0.00 -0.34 0.00 0.00 43.02 41.36 3gcm s PHE 378 CO 0.06 -0.58 -0.15 -1.01 -1.46 0.00 0.00 175.22 172.09 3gcm s HIS 379 N 1.76 2.68 -0.12 10.12 3.76 0.48 -4.69 115.29 129.28 3gcm s HIS 379 Ca 0.00 -0.18 -0.01 0.00 -0.15 0.00 0.00 55.06 54.73 3gcm s HIS 379 Cb -0.16 -1.58 0.03 0.00 1.11 0.00 0.00 32.58 31.98 3gcm s HIS 379 CO -0.07 0.22 -0.07 -0.47 -0.85 0.00 0.00 174.74 173.50 3gcm s TYR 380 N -0.81 1.46 -0.13 1.40 5.04 -1.26 -0.47 117.35 122.58 3gcm s TYR 380 Ca 0.13 -0.75 -0.01 0.00 -2.44 0.00 0.00 57.07 54.00 3gcm s TYR 380 Cb -0.11 -1.22 -0.02 0.00 0.35 0.00 0.00 41.96 40.97 3gcm s TYR 380 CO 0.03 -0.52 -0.10 -0.80 -1.34 0.00 0.00 175.55 172.81 3gcm s ASN 381 N 1.72 4.26 -0.67 4.32 0.01 -0.09 -4.74 114.94 119.74 3gcm s ASN 381 Ca 0.04 -0.25 0.05 0.00 -0.71 0.00 0.00 52.86 51.99 3gcm s ASN 381 Cb -0.13 -1.59 0.17 0.00 0.41 0.00 0.00 41.25 40.11 3gcm s ASN 381 CO -0.08 0.19 0.47 0.12 -1.51 0.00 0.00 177.10 176.29 3gcm s PHE 382 N 0.23 3.25 0.60 2.20 5.36 -1.26 -1.51 117.98 126.84 3gcm s PHE 382 Ca -0.07 -3.21 -0.17 0.00 -0.96 0.00 0.00 56.93 52.52 3gcm s PHE 382 Cb -0.15 -2.47 -0.03 0.00 -0.34 0.00 0.00 43.02 40.03 3gcm s PHE 382 CO 0.04 -0.58 1.11 -1.25 -1.46 0.00 0.00 175.22 173.08 3gcm s PRO 383 N -1.26 3.11 0.60 10.12 0.04 -1.26 -4.93 135.00 141.41 3gcm s PRO 383 Ca 0.26 1.45 0.37 0.00 0.04 0.00 0.00 61.00 63.12 3gcm s PRO 383 Cb -0.03 -1.99 1.86 0.00 0.04 0.00 0.00 34.50 34.38 3gcm s PRO 383 CO -0.17 -1.02 2.18 -1.00 0.04 0.00 0.00 177.00 177.04 3gcm h PRO 384 N 0.58 0.00 0.00 0.56 0.13 -1.88 -2.39 132.00 129.00 3gcm h PRO 384 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3gcm h PRO 384 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3gcm h PRO 384 CO 0.56 0.03 0.00 0.10 -0.23 0.00 0.00 178.00 178.46 3gcm h TYR 385 N 0.00 0.00 0.00 1.56 -0.00 -1.90 -0.34 116.97 116.28 3gcm h TYR 385 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.71 3gcm h TYR 385 Cb 0.23 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.96 3gcm h TYR 385 CO 0.00 0.00 -0.08 0.66 -0.00 0.00 0.00 178.16 178.74 3gcm h SER 386 N 0.00 0.00 -0.09 0.10 4.64 -1.56 -2.59 113.55 114.05 3gcm h SER 386 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gcm h SER 386 Cb 0.47 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3gcm h SER 386 CO 0.00 0.08 -0.02 1.33 -0.87 0.00 0.00 176.83 177.36 3gcm n VAL 387 N -4.13 2.03 -2.86 0.95 0.24 -1.12 -1.88 118.33 111.57 3gcm n VAL 387 Ca -0.03 -2.19 -0.14 0.00 -2.04 0.00 0.00 64.34 59.94 3gcm n VAL 387 Cb 0.17 -0.25 0.03 0.00 -1.47 0.00 0.00 33.84 32.32 3gcm n VAL 387 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gcm n GLY 388 N -1.14 -0.02 3.42 7.63 0.00 -0.98 -5.03 105.19 109.07 3gcm n GLY 388 Ca 0.18 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 3gcm n GLY 388 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gcm s GLU 389 N -5.41 1.53 0.16 1.61 2.02 -0.15 -4.99 118.70 113.47 3gcm s GLU 389 Ca 0.24 -1.76 0.05 0.00 0.02 0.00 0.00 54.97 53.52 3gcm s GLU 389 Cb -0.11 -1.19 -0.04 0.00 0.10 0.00 0.00 34.13 32.89 3gcm s GLU 389 CO 0.30 0.07 0.15 0.95 0.02 0.00 0.00 175.26 176.75 3gcm s THR 390 N -2.97 4.54 0.00 3.63 -4.23 -1.26 -3.11 115.64 112.24 3gcm s THR 390 Ca 0.29 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 3gcm s THR 390 Cb 0.03 -3.32 0.00 0.00 1.34 0.00 0.00 72.50 70.55 3gcm s THR 390 CO 0.11 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 3gcm n GLY 391 N -0.36 0.14 3.73 3.99 0.00 -1.26 -4.97 105.19 106.46 3gcm n GLY 391 Ca -0.08 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 3gcm n GLY 391 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3gcm n MET 392 N -0.37 2.16 -2.44 1.61 2.81 -1.26 -4.88 117.12 114.75 3gcm n MET 392 Ca 0.00 0.76 -0.23 0.00 -1.81 0.00 0.00 57.70 56.42 3gcm n MET 392 Cb 0.00 -2.48 0.01 0.00 -0.71 0.00 0.00 33.22 30.04 3gcm n MET 392 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3gcm n VAL 393 N -0.02 2.17 0.00 2.03 0.31 -1.26 -4.83 118.33 116.73 3gcm n VAL 393 Ca 0.05 -4.48 0.00 0.00 -0.01 0.00 0.00 64.34 59.90 3gcm n VAL 393 Cb 0.39 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 3gcm n VAL 393 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gcm n GLY 394 N -0.47 1.33 3.95 2.92 0.00 -1.26 -5.07 105.19 106.59 3gcm n GLY 394 Ca 0.35 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.17 3gcm n GLY 394 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gcm s SER 395 N -1.00 5.29 0.35 1.61 1.04 -1.26 -5.07 113.70 114.66 3gcm s SER 395 Ca 0.00 -0.64 -0.28 0.00 0.48 0.00 0.00 55.95 55.51 3gcm s SER 395 Cb 0.00 -0.50 -0.12 0.00 0.10 0.00 0.00 66.02 65.51 3gcm s SER 395 CO 0.00 -0.77 1.36 -2.65 0.98 0.00 0.00 173.24 172.15 3gcm n PRO 396 N -1.74 2.30 -3.14 4.02 -0.02 -1.26 -5.02 135.00 130.14 3gcm n PRO 396 Ca 0.06 0.81 -0.18 0.00 -2.02 0.00 0.00 63.50 62.17 3gcm n PRO 396 Cb 0.61 -2.44 0.01 0.00 -0.02 0.00 0.00 33.50 31.66 3gcm n PRO 396 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3gcm s LYS 397 N -1.91 2.71 0.49 -0.52 1.02 -1.26 -4.93 119.74 115.34 3gcm s LYS 397 Ca 0.55 -1.36 0.20 0.00 0.02 0.00 0.00 55.97 55.38 3gcm s LYS 397 Cb -0.54 -2.66 1.23 0.00 -0.52 0.00 0.00 37.83 35.34 3gcm s LYS 397 CO 0.62 -0.32 2.00 0.00 -0.92 0.00 0.00 175.35 176.74 3gcm h ARG 398 N 0.68 0.17 0.00 1.68 3.08 -1.99 0.86 114.38 118.86 3gcm h ARG 398 Ca -0.39 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.55 3gcm h ARG 398 Cb 1.28 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 3gcm h ARG 398 CO 0.47 0.11 -1.33 2.89 -1.07 0.00 0.00 179.97 181.04 3gcm n ARG 399 N -4.44 0.62 -0.03 0.04 1.85 -1.26 -2.61 116.66 110.83 3gcm n ARG 399 Ca 0.09 0.14 -0.03 0.00 -1.00 0.00 0.00 57.85 57.04 3gcm n ARG 399 Cb 0.46 -1.78 0.20 0.00 -1.05 0.00 0.00 32.46 30.29 3gcm n ARG 399 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 3gcm h GLU 400 N 0.00 0.61 -0.23 2.89 5.08 -1.16 0.78 114.58 122.54 3gcm h GLU 400 Ca -0.10 -0.19 -0.19 0.00 -1.00 0.00 0.00 59.36 57.88 3gcm h GLU 400 Cb 1.33 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3gcm h GLU 400 CO 0.02 0.72 -0.60 0.82 -1.00 0.00 0.00 179.01 178.98 3gcm h ILE 401 N 0.56 1.29 -0.26 3.13 2.04 -1.53 -2.42 117.51 120.32 3gcm h ILE 401 Ca 0.10 -1.81 -0.03 0.00 1.00 0.00 0.00 64.86 64.12 3gcm h ILE 401 Cb 0.55 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 3gcm h ILE 401 CO 0.03 0.58 0.04 1.23 0.00 0.00 0.00 178.15 180.03 3gcm h GLY 402 N 0.78 0.47 2.00 5.37 0.00 -1.17 -2.38 103.07 108.14 3gcm h GLY 402 Ca -0.00 -0.32 -0.15 0.00 0.00 0.00 0.00 47.33 46.86 3gcm h GLY 402 CO 0.13 0.30 -0.71 0.45 0.00 0.00 0.00 176.54 176.71 3gcm h HIS 403 N 0.24 0.00 -0.56 5.60 3.86 -0.96 -2.10 115.15 121.24 3gcm h HIS 403 Ca 0.08 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.23 3gcm h HIS 403 Cb 0.35 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 3gcm h HIS 403 CO 0.02 0.71 0.10 0.78 0.86 0.00 0.00 177.93 180.40 3gcm h GLY 404 N 2.38 0.95 1.60 2.45 0.00 -1.39 -1.18 103.07 107.88 3gcm h GLY 404 Ca -0.01 -0.58 -0.23 0.00 0.00 0.00 0.00 47.33 46.51 3gcm h GLY 404 CO 0.09 0.54 -1.00 -0.09 0.00 0.00 0.00 176.54 176.08 3gcm h ARG 405 N 0.84 0.34 -0.47 4.80 9.65 -1.35 -2.38 114.38 125.81 3gcm h ARG 405 Ca 0.18 -0.41 -0.02 0.00 -1.10 0.00 0.00 59.98 58.62 3gcm h ARG 405 Cb 0.36 0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.04 3gcm h ARG 405 CO 0.01 1.11 0.20 1.25 2.80 0.00 0.00 179.97 185.34 3gcm h LEU 406 N 0.17 0.64 -1.02 3.80 5.85 -1.23 -0.84 115.31 122.69 3gcm h LEU 406 Ca -0.09 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.39 3gcm h LEU 406 Cb 1.66 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 3gcm h LEU 406 CO 0.17 0.62 -0.28 0.00 -0.34 0.00 0.00 178.44 178.60 3gcm h ALA 407 N 1.05 1.17 -0.55 1.25 0.00 -1.27 -2.13 119.26 118.78 3gcm h ALA 407 Ca 0.16 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3gcm h ALA 407 Cb 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3gcm h ALA 407 CO -0.02 0.53 0.10 -0.22 0.00 0.00 0.00 179.25 179.65 3gcm h LYS 408 N 0.31 0.90 0.00 0.00 3.64 -1.14 -2.78 116.57 117.50 3gcm h LYS 408 Ca 0.04 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 3gcm h LYS 408 Cb 0.67 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3gcm h LYS 408 CO 0.05 0.87 -0.17 0.00 -2.27 0.00 0.00 179.45 177.93 3gcm h ARG 409 N 0.80 0.00 0.00 1.90 3.08 -0.92 -0.41 114.38 118.82 3gcm h ARG 409 Ca 0.17 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 3gcm h ARG 409 Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 3gcm h ARG 409 CO 0.01 0.17 -0.04 0.78 -1.07 0.00 0.00 179.97 179.81 3gcm h GLY 410 N 1.71 0.00 0.00 0.04 0.00 -1.12 -3.34 103.07 100.35 3gcm h GLY 410 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 3gcm h GLY 410 CO 0.02 0.00 -1.76 -0.62 0.00 0.00 0.00 176.54 174.18 3gcm n VAL 411 N -3.12 0.41 -0.35 4.60 0.31 -0.96 -4.62 118.33 114.61 3gcm n VAL 411 Ca 0.03 -0.43 0.15 0.00 -0.01 0.00 0.00 64.34 64.07 3gcm n VAL 411 Cb 0.47 -0.20 0.35 0.00 -0.91 0.00 0.00 33.84 33.54 3gcm n VAL 411 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3gcm h LEU 412 N 0.00 0.75 -1.83 7.52 5.85 -1.21 -2.42 115.31 123.97 3gcm h LEU 412 Ca -0.16 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 3gcm h LEU 412 Cb 1.17 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 3gcm h LEU 412 CO 0.01 0.22 -0.14 0.00 -0.34 0.00 0.00 178.44 178.19 3gcm h ALA 413 N 1.67 1.48 -0.01 1.25 0.00 -1.83 -2.85 119.26 118.98 3gcm h ALA 413 Ca 0.60 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3gcm h ALA 413 Cb 1.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3gcm h ALA 413 CO -0.41 0.18 -0.68 1.33 0.00 0.00 0.00 179.25 179.66 3gcm n VAL 414 N -3.96 0.00 -1.99 0.00 0.24 -0.91 -4.93 118.33 106.77 3gcm n VAL 414 Ca -0.02 -0.16 -0.41 0.00 -2.04 0.00 0.00 64.34 61.71 3gcm n VAL 414 Cb 0.23 1.16 -0.02 0.00 -1.47 0.00 0.00 33.84 33.74 3gcm n VAL 414 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3gcm s MET 415 N -2.67 4.26 0.42 7.34 1.00 -1.08 0.08 119.30 128.65 3gcm s MET 415 Ca 0.14 2.35 -0.24 0.00 0.00 0.00 0.00 55.69 57.93 3gcm s MET 415 Cb 0.17 -3.06 -0.08 0.00 0.00 0.00 0.00 34.83 31.86 3gcm s MET 415 CO 0.69 -0.38 1.14 -1.25 0.00 0.00 0.00 175.02 175.22 3gcm s PRO 416 N -1.22 3.99 0.59 2.03 0.04 -1.26 -4.84 135.00 134.34 3gcm s PRO 416 Ca 0.55 1.75 -0.12 0.00 0.04 0.00 0.00 61.00 63.22 3gcm s PRO 416 Cb -0.42 -2.57 -0.05 0.00 0.04 0.00 0.00 34.50 31.49 3gcm s PRO 416 CO 0.51 -0.35 1.02 0.16 0.04 0.00 0.00 177.00 178.37 3gcm s ASP 417 N -1.28 6.33 0.61 6.66 -4.77 -1.26 -4.81 116.67 118.15 3gcm s ASP 417 Ca 0.59 1.45 0.32 0.00 -3.30 0.00 0.00 52.55 51.61 3gcm s ASP 417 Cb -0.28 -2.48 1.82 0.00 -1.09 0.00 0.00 42.92 40.89 3gcm s ASP 417 CO 0.35 -0.79 2.16 0.24 0.70 0.00 0.00 175.17 177.83 3gcm h MET 418 N 0.01 0.00 0.00 2.11 2.86 -1.97 -0.78 114.93 117.16 3gcm h MET 418 Ca -0.45 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.14 3gcm h MET 418 Cb 1.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 3gcm h MET 418 CO 0.62 0.00 -0.25 -0.44 1.06 0.00 0.00 176.91 177.90 3gcm h ASP 419 N 0.00 0.00 0.00 1.22 3.32 -2.00 -3.19 116.42 115.76 3gcm h ASP 419 Ca 0.05 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 3gcm h ASP 419 Cb 0.34 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 3gcm h ASP 419 CO -0.00 0.25 -1.60 0.29 -1.72 0.00 0.00 179.24 176.46 3gcm n LYS 420 N -4.10 1.67 -3.43 3.56 5.02 -0.41 -4.85 118.16 115.62 3gcm n LYS 420 Ca -0.02 -0.04 -0.28 0.00 -2.02 0.00 0.00 58.31 55.95 3gcm n LYS 420 Cb 0.31 -1.25 -0.11 0.00 -0.02 0.00 0.00 35.03 33.96 3gcm n LYS 420 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3gcm s PHE 421 N -2.41 0.87 -1.31 2.13 5.36 -0.57 -5.03 117.98 117.02 3gcm s PHE 421 Ca -0.04 -1.91 -0.12 0.00 -0.96 0.00 0.00 56.93 53.89 3gcm s PHE 421 Cb 0.04 -0.92 0.13 0.00 -0.34 0.00 0.00 43.02 41.94 3gcm s PHE 421 CO 0.41 -0.83 1.86 -0.35 -1.46 0.00 0.00 175.22 174.86 3gcm n PRO 422 N 3.55 3.36 -3.91 10.12 -0.04 -1.21 -4.31 135.00 142.56 3gcm n PRO 422 Ca 0.19 -3.35 -0.11 0.00 -0.04 0.00 0.00 63.50 60.20 3gcm n PRO 422 Cb 0.41 -3.09 -0.11 0.00 -0.04 0.00 0.00 33.50 30.68 3gcm n PRO 422 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3gcm s TYR 423 N 1.63 0.09 0.00 0.54 1.51 -1.26 -4.90 117.35 114.97 3gcm s TYR 423 Ca 0.43 -0.20 -0.30 0.00 -1.01 0.00 0.00 57.07 55.99 3gcm s TYR 423 Cb 0.08 -0.08 -0.04 0.00 -0.11 0.00 0.00 41.96 41.81 3gcm s TYR 423 CO -0.01 -0.19 1.09 0.99 -1.11 0.00 0.00 175.55 176.31 3gcm s THR 424 N -1.07 4.50 -0.17 -0.71 2.01 -1.10 -4.89 115.64 114.21 3gcm s THR 424 Ca -0.12 1.79 0.01 0.00 0.31 0.00 0.00 61.69 63.69 3gcm s THR 424 Cb -0.07 -4.15 0.02 0.00 0.01 0.00 0.00 72.50 68.31 3gcm s THR 424 CO 0.00 0.11 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.14 3gcm s VAL 425 N 1.29 2.08 -0.18 3.82 1.01 -0.25 0.05 120.40 128.23 3gcm s VAL 425 Ca 0.54 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 3gcm s VAL 425 Cb -0.24 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 3gcm s VAL 425 CO 0.27 0.54 -0.06 -0.60 0.00 0.00 0.00 175.10 175.25 3gcm s ARG 426 N 1.13 3.49 -0.17 2.72 3.52 -0.40 -0.69 118.95 128.55 3gcm s ARG 426 Ca 0.01 -0.60 -0.02 0.00 -0.13 0.00 0.00 55.73 54.99 3gcm s ARG 426 Cb -0.14 -2.89 -0.01 0.00 -1.56 0.00 0.00 34.95 30.35 3gcm s ARG 426 CO -0.09 0.06 -0.10 0.08 -0.81 0.00 0.00 175.30 174.44 3gcm s VAL 427 N 0.81 3.15 -0.17 7.11 1.01 0.12 -0.89 120.40 131.54 3gcm s VAL 427 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3gcm s VAL 427 Cb -0.15 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.87 3gcm s VAL 427 CO 0.01 0.49 -0.16 -0.69 0.00 0.00 0.00 175.10 174.76 3gcm s VAL 428 N 0.79 2.52 -0.29 2.92 1.01 -0.78 -0.38 120.40 126.19 3gcm s VAL 428 Ca -0.04 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 3gcm s VAL 428 Cb -0.15 -2.07 -0.00 0.00 0.00 0.00 0.00 36.38 34.15 3gcm s VAL 428 CO 0.01 0.51 0.09 -0.55 0.00 0.00 0.00 175.10 175.16 3gcm s SER 429 N 1.07 5.20 -0.41 3.32 0.15 0.38 -1.24 113.70 122.18 3gcm s SER 429 Ca -0.00 -0.55 -0.13 0.00 0.70 0.00 0.00 55.95 55.96 3gcm s SER 429 Cb -0.14 -1.91 0.03 0.00 -1.71 0.00 0.00 66.02 62.29 3gcm s SER 429 CO -0.05 -0.15 0.28 -1.61 1.20 0.00 0.00 173.24 172.90 3gcm s GLU 430 N 1.55 2.89 -0.56 5.44 0.41 0.60 -0.91 118.70 128.12 3gcm s GLU 430 Ca 0.04 -1.11 -0.28 0.00 -0.41 0.00 0.00 54.97 53.21 3gcm s GLU 430 Cb -0.17 -3.90 0.02 0.00 -1.78 0.00 0.00 34.13 28.31 3gcm s GLU 430 CO 0.03 -0.78 1.32 0.42 -0.49 0.00 0.00 175.26 175.76 3gcm s ILE 431 N 1.61 3.89 -0.06 -1.63 -1.09 -0.57 -0.32 121.20 123.04 3gcm s ILE 431 Ca 0.04 0.79 0.13 0.00 -2.23 0.00 0.00 60.65 59.38 3gcm s ILE 431 Cb -0.20 -4.55 -0.22 0.00 -1.58 0.00 0.00 42.46 35.91 3gcm s ILE 431 CO 0.08 -1.22 0.66 0.35 -1.23 0.00 0.00 174.94 173.58 3gcm n THR 432 N 6.79 1.54 -3.99 2.92 -2.24 -0.70 -4.29 114.28 114.31 3gcm n THR 432 Ca 0.11 -0.78 -0.11 0.00 -2.27 0.00 0.00 64.05 60.99 3gcm n THR 432 Cb 0.49 -0.97 -0.12 0.00 -2.10 0.00 0.00 70.33 67.63 3gcm n THR 432 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3gcm s GLU 433 N -2.64 0.29 -0.08 -0.78 2.02 -1.15 -4.04 118.70 112.33 3gcm s GLU 433 Ca -0.05 -0.45 -0.03 0.00 0.02 0.00 0.00 54.97 54.46 3gcm s GLU 433 Cb 0.08 -0.05 0.04 0.00 0.10 0.00 0.00 34.13 34.30 3gcm s GLU 433 CO 0.82 -0.00 0.07 0.45 0.02 0.00 0.00 175.26 176.63 3gcm s SER 434 N -1.00 1.48 -0.41 -0.19 0.15 -0.79 -0.64 113.70 112.30 3gcm s SER 434 Ca -0.09 -0.11 0.09 0.00 0.70 0.00 0.00 55.95 56.54 3gcm s SER 434 Cb -0.07 -0.15 0.36 0.00 -1.71 0.00 0.00 66.02 64.45 3gcm s SER 434 CO -0.00 -0.28 1.09 -3.20 1.20 0.00 0.00 173.24 172.05 3gcm n ASN 435 N 5.30 -1.28 0.00 5.45 5.15 -0.95 -4.76 115.26 124.18 3gcm n ASN 435 Ca -0.04 -3.16 0.00 0.00 -0.60 0.00 0.00 54.58 50.78 3gcm n ASN 435 Cb 0.50 0.99 0.00 0.00 -0.53 0.00 0.00 39.78 40.74 3gcm n ASN 435 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gcm n GLY 436 N 0.06 2.60 3.67 8.20 0.00 -1.26 -3.43 105.19 115.03 3gcm n GLY 436 Ca 0.07 -1.73 -0.49 0.00 0.00 0.00 0.00 46.02 43.87 3gcm n GLY 436 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gcm n SER 437 N 0.00 3.15 -0.08 1.61 2.88 -1.26 -4.63 113.62 115.29 3gcm n SER 437 Ca 0.00 1.02 -0.11 0.00 -1.33 0.00 0.00 58.87 58.45 3gcm n SER 437 Cb 0.00 -1.36 -0.04 0.00 -0.75 0.00 0.00 64.21 62.06 3gcm n SER 437 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3gcm h SER 438 N 7.77 0.41 1.26 -3.46 4.64 -1.95 -3.15 113.55 119.07 3gcm h SER 438 Ca -0.47 -0.27 -0.02 0.00 -0.47 0.00 0.00 61.79 60.57 3gcm h SER 438 Cb 1.27 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3gcm h SER 438 CO 0.92 0.57 -0.08 0.77 -0.87 0.00 0.00 176.83 178.15 3gcm h SER 439 N 0.23 0.00 1.26 4.97 4.64 -1.93 0.27 113.55 122.99 3gcm h SER 439 Ca 0.08 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.25 3gcm h SER 439 Cb 0.34 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 3gcm h SER 439 CO 0.01 0.08 -0.68 0.24 -0.87 0.00 0.00 176.83 175.60 3gcm h MET 440 N 0.00 0.00 -0.07 4.77 2.86 -1.90 -2.93 114.93 117.66 3gcm h MET 440 Ca -0.00 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 3gcm h MET 440 Cb 0.73 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 3gcm h MET 440 CO 0.01 0.68 -0.60 0.00 1.06 0.00 0.00 176.91 178.06 3gcm h ALA 441 N 1.32 0.86 -0.33 6.32 0.00 -0.57 -2.90 119.26 123.95 3gcm h ALA 441 Ca -0.01 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 3gcm h ALA 441 Cb 1.50 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 3gcm h ALA 441 CO 0.09 0.73 -0.03 0.77 0.00 0.00 0.00 179.25 180.81 3gcm h SER 442 N 0.17 0.50 -0.17 0.00 0.02 -0.72 0.42 113.55 113.77 3gcm h SER 442 Ca -0.01 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3gcm h SER 442 Cb 1.10 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 3gcm h SER 442 CO 0.09 0.59 0.06 0.58 -1.14 0.00 0.00 176.83 177.01 3gcm h VAL 443 N 0.50 1.17 -0.12 2.27 2.07 -1.39 -0.50 116.25 120.26 3gcm h VAL 443 Ca 0.10 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 3gcm h VAL 443 Cb 0.37 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3gcm h VAL 443 CO 0.02 0.17 0.04 0.00 0.02 0.00 0.00 177.57 177.81 3gcm h GLY 445 N 0.02 0.76 0.87 0.00 0.00 -0.90 -2.45 103.07 101.38 3gcm h GLY 445 Ca 0.04 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 3gcm h GLY 445 CO -0.00 0.31 -0.06 0.00 0.00 0.00 0.00 176.54 176.79 3gcm h ALA 446 N 1.60 0.38 -1.00 3.60 0.00 -1.01 -0.90 119.26 121.94 3gcm h ALA 446 Ca 0.19 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 54.90 3gcm h ALA 446 Cb 0.02 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 3gcm h ALA 446 CO -0.03 0.19 0.64 1.03 0.00 0.00 0.00 179.25 181.08 3gcm h SER 447 N 0.30 1.00 -0.04 0.00 0.87 -1.08 0.11 113.55 114.70 3gcm h SER 447 Ca 0.07 0.02 -0.25 0.00 -1.23 0.00 0.00 61.79 60.39 3gcm h SER 447 Cb 0.53 -0.19 0.02 0.00 -0.44 0.00 0.00 62.40 62.31 3gcm h SER 447 CO 0.03 0.62 -0.97 -0.07 -0.53 0.00 0.00 176.83 175.91 3gcm h LEU 448 N 1.12 0.92 -0.78 2.23 3.38 -1.39 -2.93 115.31 117.87 3gcm h LEU 448 Ca 0.44 -0.70 -0.12 0.00 0.09 0.00 0.00 57.88 57.60 3gcm h LEU 448 Cb 0.24 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3gcm h LEU 448 CO -0.19 1.50 -0.35 0.00 0.09 0.00 0.00 178.44 179.49 3gcm h ALA 449 N 0.45 0.95 -0.40 1.53 0.00 -0.71 -1.26 119.26 119.82 3gcm h ALA 449 Ca -0.11 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.26 3gcm h ALA 449 Cb 1.61 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 3gcm h ALA 449 CO 0.19 0.62 -0.27 -0.07 0.00 0.00 0.00 179.25 179.71 3gcm h LEU 450 N 0.44 0.94 -0.74 0.00 3.38 -0.88 -1.91 115.31 116.54 3gcm h LEU 450 Ca 0.05 -0.43 -0.10 0.00 0.09 0.00 0.00 57.88 57.49 3gcm h LEU 450 Cb 0.82 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3gcm h LEU 450 CO 0.07 1.17 -0.13 0.24 0.09 0.00 0.00 178.44 179.88 3gcm h MET 451 N 0.72 0.83 -0.22 1.13 2.86 -1.43 0.20 114.93 119.01 3gcm h MET 451 Ca 0.08 -0.29 -0.06 0.00 -2.06 0.00 0.00 59.70 57.37 3gcm h MET 451 Cb 0.85 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 3gcm h MET 451 CO 0.07 0.91 -0.13 0.22 1.06 0.00 0.00 176.91 179.05 3gcm h ASP 452 N 0.74 0.35 0.97 1.22 3.58 -1.14 -2.39 116.42 119.76 3gcm h ASP 452 Ca 0.12 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.49 3gcm h ASP 452 Cb 0.63 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.59 3gcm h ASP 452 CO 0.04 0.51 -0.07 0.00 -2.88 0.00 0.00 179.24 176.85 3gcm n ALA 453 N -2.48 2.48 -0.64 -0.78 0.00 -0.73 -4.67 120.51 113.69 3gcm n ALA 453 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3gcm n ALA 453 Cb 0.30 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3gcm n ALA 453 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gcm n GLY 454 N 1.49 0.63 3.66 0.00 0.00 -0.90 -4.89 105.19 105.18 3gcm n GLY 454 Ca 0.07 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 3gcm n GLY 454 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gcm s VAL 455 N -2.00 4.19 -1.41 1.61 1.01 0.02 -4.93 120.40 118.90 3gcm s VAL 455 Ca 0.00 1.45 -0.15 0.00 0.00 0.00 0.00 61.98 63.28 3gcm s VAL 455 Cb 0.00 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.48 3gcm s VAL 455 CO 0.00 -0.11 2.13 -0.81 0.00 0.00 0.00 175.10 176.30 3gcm n PRO 456 N 6.52 2.86 -2.28 2.72 -0.04 -1.26 -4.36 135.00 139.16 3gcm n PRO 456 Ca 0.14 -2.70 -0.36 0.00 -0.04 0.00 0.00 63.50 60.54 3gcm n PRO 456 Cb 0.45 -3.32 -0.01 0.00 -0.04 0.00 0.00 33.50 30.58 3gcm n PRO 456 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3gcm s ILE 457 N 3.51 3.18 0.28 0.52 -4.36 -1.26 -4.27 121.20 118.80 3gcm s ILE 457 Ca 0.49 0.82 -0.01 0.00 -0.26 0.00 0.00 60.65 61.69 3gcm s ILE 457 Cb 0.12 -3.39 0.15 0.00 1.25 0.00 0.00 42.46 40.60 3gcm s ILE 457 CO -0.05 -0.07 1.82 0.11 0.24 0.00 0.00 174.94 176.99 3gcm h LYS 458 N 1.74 0.82 -2.97 0.37 1.57 -0.68 -3.46 116.57 113.97 3gcm h LYS 458 Ca -0.50 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.09 3gcm h LYS 458 Cb 1.25 -0.12 -0.12 0.00 0.08 0.00 0.00 32.23 33.32 3gcm h LYS 458 CO 0.59 0.75 0.21 0.00 -0.57 0.00 0.00 179.45 180.43 3gcm s ALA 459 N -5.19 -1.60 0.50 3.86 0.00 -1.26 -5.12 121.76 112.94 3gcm s ALA 459 Ca -0.10 0.51 -0.22 0.00 0.00 0.00 0.00 51.96 52.16 3gcm s ALA 459 Cb 0.15 0.86 -0.06 0.00 0.00 0.00 0.00 23.12 24.08 3gcm s ALA 459 CO 0.80 -0.76 1.21 0.00 0.00 0.00 0.00 175.76 177.01 3gcm s ALA 460 N -3.68 2.87 0.02 0.00 0.00 -1.26 -4.88 121.76 114.83 3gcm s ALA 460 Ca 0.01 1.02 0.03 0.00 0.00 0.00 0.00 51.96 53.03 3gcm s ALA 460 Cb -0.01 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 3gcm s ALA 460 CO -0.12 -0.88 -0.11 0.54 0.00 0.00 0.00 175.76 175.18 3gcm s VAL 461 N -1.51 0.83 0.25 0.00 0.11 -1.26 -4.30 120.40 114.52 3gcm s VAL 461 Ca 0.68 -0.74 -0.09 0.00 -2.93 0.00 0.00 61.98 58.89 3gcm s VAL 461 Cb -0.31 -0.76 -0.01 0.00 -1.53 0.00 0.00 36.38 33.77 3gcm s VAL 461 CO 0.37 0.02 0.40 0.00 -3.33 0.00 0.00 175.10 172.56 3gcm s ALA 462 N -0.66 0.18 0.22 1.54 0.00 -0.88 -4.10 121.76 118.06 3gcm s ALA 462 Ca 0.00 -1.13 -0.20 0.00 0.00 0.00 0.00 51.96 50.64 3gcm s ALA 462 Cb -0.06 1.15 0.03 0.00 0.00 0.00 0.00 23.12 24.24 3gcm s ALA 462 CO 0.00 -0.79 0.61 0.20 0.00 0.00 0.00 175.76 175.79 3gcm s GLY 463 N -3.07 -0.18 0.19 0.00 0.00 -1.26 -0.97 107.32 102.03 3gcm s GLY 463 Ca 0.27 -0.12 -0.10 0.00 0.00 0.00 0.00 44.72 44.77 3gcm s GLY 463 CO 0.11 -0.12 0.34 -0.26 0.00 0.00 0.00 173.10 173.17 3gcm s ILE 464 N -3.87 0.04 -0.11 0.90 -5.25 -0.93 -4.72 121.20 107.27 3gcm s ILE 464 Ca 0.09 -1.40 0.01 0.00 -0.99 0.00 0.00 60.65 58.36 3gcm s ILE 464 Cb -0.03 -1.98 -0.02 0.00 2.95 0.00 0.00 42.46 43.38 3gcm s ILE 464 CO -0.01 -0.17 -0.13 0.00 -1.79 0.00 0.00 174.94 172.84 3gcm s ALA 465 N -3.99 2.65 -0.03 2.27 0.00 -1.26 -2.06 121.76 119.34 3gcm s ALA 465 Ca 0.20 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 3gcm s ALA 465 Cb 0.02 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 3gcm s ALA 465 CO 0.03 0.34 0.07 -1.64 0.00 0.00 0.00 175.76 174.57 3gcm s MET 466 N 0.02 3.08 0.52 0.00 -1.94 0.19 -1.69 119.30 119.48 3gcm s MET 466 Ca -0.04 -0.43 0.03 0.00 -1.71 0.00 0.00 55.69 53.54 3gcm s MET 466 Cb -0.14 -2.88 0.01 0.00 2.01 0.00 0.00 34.83 33.83 3gcm s MET 466 CO 0.04 0.67 0.18 0.20 -0.01 0.00 0.00 175.02 176.10 3gcm s GLY 467 N -1.48 2.72 -0.23 -0.03 0.00 0.93 -1.56 107.32 107.67 3gcm s GLY 467 Ca 0.20 -0.83 -0.18 0.00 0.00 0.00 0.00 44.72 43.91 3gcm s GLY 467 CO 0.10 -2.08 0.59 -2.27 0.00 0.00 0.00 173.10 169.45 3gcm s LEU 468 N -4.05 -0.42 -0.17 0.66 2.96 -1.26 -1.43 118.68 114.98 3gcm s LEU 468 Ca 0.19 1.23 0.01 0.00 -0.22 0.00 0.00 54.13 55.34 3gcm s LEU 468 Cb 0.00 2.02 0.03 0.00 0.50 0.00 0.00 46.19 48.74 3gcm s LEU 468 CO 0.12 -0.21 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.11 3gcm s VAL 469 N 0.82 1.65 -0.07 1.68 1.01 -0.92 -0.40 120.40 124.17 3gcm s VAL 469 Ca -0.04 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.17 3gcm s VAL 469 Cb -0.05 -1.59 0.02 0.00 0.00 0.00 0.00 36.38 34.75 3gcm s VAL 469 CO -0.06 0.37 -0.08 -0.75 0.00 0.00 0.00 175.10 174.58 3gcm s LYS 470 N 1.44 1.33 -0.19 2.72 2.20 -1.26 -1.39 119.74 124.58 3gcm s LYS 470 Ca 0.03 -0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 55.37 3gcm s LYS 470 Cb -0.14 -1.23 0.06 0.00 -1.51 0.00 0.00 37.83 35.01 3gcm s LYS 470 CO -0.10 -0.08 -0.00 -1.21 -0.36 0.00 0.00 175.35 173.60 3gcm s GLU 471 N 1.00 1.02 6.47 4.03 0.41 0.82 -5.00 118.70 127.44 3gcm s GLU 471 Ca -0.09 -0.56 0.00 0.00 -0.41 0.00 0.00 54.97 53.91 3gcm s GLU 471 Cb -0.15 -2.17 0.00 0.00 -1.78 0.00 0.00 34.13 30.03 3gcm s GLU 471 CO -0.00 -0.58 0.00 0.41 -0.49 0.00 0.00 175.26 174.60 3gcm n GLY 472 N 4.93 2.00 0.01 -1.39 0.00 -1.26 -1.64 105.19 107.83 3gcm n GLY 472 Ca -0.10 0.23 0.10 0.00 0.00 0.00 0.00 46.02 46.25 3gcm n GLY 472 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gcm n ASP 473 N 11.01 0.50 -4.71 1.61 8.00 -1.26 -4.93 116.55 126.76 3gcm n ASP 473 Ca 0.00 -0.43 -0.42 0.00 0.71 0.00 0.00 54.79 54.65 3gcm n ASP 473 Cb 0.00 1.55 -0.03 0.00 -0.02 0.00 0.00 41.12 42.62 3gcm n ASP 473 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3gcm s ASN 474 N -3.80 7.31 0.04 -2.24 0.02 -0.65 -5.05 114.94 110.58 3gcm s ASN 474 Ca -0.01 1.73 -0.13 0.00 -1.02 0.00 0.00 52.86 53.43 3gcm s ASN 474 Cb 0.15 -2.57 0.02 0.00 0.02 0.00 0.00 41.25 38.86 3gcm s ASN 474 CO 0.87 -0.30 0.28 -0.72 0.02 0.00 0.00 177.10 177.25 3gcm s TYR 475 N 1.03 -0.08 -0.05 2.20 1.13 -1.26 -0.13 117.35 120.19 3gcm s TYR 475 Ca 0.53 -0.05 0.00 0.00 -1.41 0.00 0.00 57.07 56.15 3gcm s TYR 475 Cb -0.23 0.07 0.02 0.00 -1.10 0.00 0.00 41.96 40.73 3gcm s TYR 475 CO 0.28 -0.47 -0.03 0.08 -2.51 0.00 0.00 175.55 172.90 3gcm s VAL 476 N -2.40 0.47 -0.18 -3.49 1.01 -0.49 -5.00 120.40 110.33 3gcm s VAL 476 Ca -0.06 -0.05 -0.19 0.00 0.00 0.00 0.00 61.98 61.68 3gcm s VAL 476 Cb -0.01 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 3gcm s VAL 476 CO -0.03 0.23 0.53 -0.69 0.00 0.00 0.00 175.10 175.15 3gcm s VAL 477 N 1.17 5.11 -0.13 2.92 1.01 -1.26 -2.16 120.40 127.06 3gcm s VAL 477 Ca -0.07 1.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.86 3gcm s VAL 477 Cb -0.14 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3gcm s VAL 477 CO -0.01 0.20 0.06 -0.76 0.00 0.00 0.00 175.10 174.59 3gcm s LEU 478 N 1.45 3.89 -0.07 3.92 1.02 -0.51 -4.73 118.68 123.64 3gcm s LEU 478 Ca 0.26 0.21 -0.10 0.00 0.02 0.00 0.00 54.13 54.52 3gcm s LEU 478 Cb -0.15 -1.94 -0.05 0.00 0.02 0.00 0.00 46.19 44.07 3gcm s LEU 478 CO 0.10 0.31 0.25 -0.44 0.02 0.00 0.00 176.35 176.60 3gcm s SER 479 N -0.47 6.56 -0.71 2.29 0.01 -0.27 -0.05 113.70 121.05 3gcm s SER 479 Ca 0.10 0.67 -0.07 0.00 1.31 0.00 0.00 55.95 57.97 3gcm s SER 479 Cb -0.12 -2.15 0.01 0.00 0.21 0.00 0.00 66.02 63.97 3gcm s SER 479 CO 0.02 0.37 0.64 -0.67 0.41 0.00 0.00 173.24 174.01 3gcm n ASP 480 N 1.95 -6.21 -4.78 2.44 2.03 -0.68 -4.74 116.55 106.55 3gcm n ASP 480 Ca -0.17 -0.42 -0.37 0.00 0.52 0.00 0.00 54.79 54.35 3gcm n ASP 480 Cb 0.54 -3.24 -0.05 0.00 -0.72 0.00 0.00 41.12 37.65 3gcm n ASP 480 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3gcm s ILE 481 N -2.77 3.96 0.90 5.18 -4.36 -1.15 -4.83 121.20 118.14 3gcm s ILE 481 Ca 0.07 1.53 -0.12 0.00 -0.26 0.00 0.00 60.65 61.88 3gcm s ILE 481 Cb -0.01 -3.81 0.13 0.00 1.25 0.00 0.00 42.46 40.02 3gcm s ILE 481 CO 0.83 0.04 1.10 -0.76 0.24 0.00 0.00 174.94 176.39 3gcm s LEU 482 N -2.42 2.16 0.24 0.37 1.02 -1.26 -4.20 118.68 114.60 3gcm s LEU 482 Ca 0.55 1.36 -0.06 0.00 0.02 0.00 0.00 54.13 56.00 3gcm s LEU 482 Cb -0.20 -3.76 0.30 0.00 0.02 0.00 0.00 46.19 42.55 3gcm s LEU 482 CO 0.25 -2.63 1.89 1.23 0.02 0.00 0.00 176.35 177.11 3gcm h GLY 483 N -1.54 1.34 1.00 -3.19 0.00 -1.94 -1.71 103.07 97.02 3gcm h GLY 483 Ca -0.50 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.37 3gcm h GLY 483 CO 0.56 0.37 0.34 -0.55 0.00 0.00 0.00 176.54 177.27 3gcm h ASP 484 N 1.14 0.81 0.80 0.19 3.32 -1.93 -1.62 116.42 119.13 3gcm h ASP 484 Ca 0.37 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 3gcm h ASP 484 Cb 0.02 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 3gcm h ASP 484 CO -0.13 0.68 -0.15 -0.33 -1.72 0.00 0.00 179.24 177.60 3gcm h GLU 485 N 0.87 0.00 0.03 3.56 5.08 -1.82 -0.14 114.58 122.16 3gcm h GLU 485 Ca 0.22 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.47 3gcm h GLU 485 Cb 0.06 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.32 3gcm h GLU 485 CO -0.03 0.15 -0.48 0.22 -1.00 0.00 0.00 179.01 177.87 3gcm h ASP 486 N 0.00 0.37 0.38 1.42 3.58 -1.01 -2.38 116.42 118.78 3gcm h ASP 486 Ca -0.00 -0.83 -0.17 0.00 0.42 0.00 0.00 57.03 56.45 3gcm h ASP 486 Cb 0.59 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 3gcm h ASP 486 CO 0.02 1.15 -0.72 0.45 -2.88 0.00 0.00 179.24 177.26 3gcm h HIS 487 N -0.37 0.39 -0.01 0.28 3.86 -1.05 -3.22 115.15 115.03 3gcm h HIS 487 Ca -0.07 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 3gcm h HIS 487 Cb 1.25 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.66 3gcm h HIS 487 CO 0.18 0.91 -0.65 1.28 0.86 0.00 0.00 177.93 180.50 3gcm n LEU 488 N -3.80 1.46 0.00 2.43 4.77 -0.09 -4.95 117.00 116.82 3gcm n LEU 488 Ca -0.03 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 3gcm n LEU 488 Cb 0.70 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 3gcm n LEU 488 CO 0.47 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 3gcm n GLY 489 N 1.45 0.27 0.04 -0.72 0.00 -0.90 -4.88 105.19 100.45 3gcm n GLY 489 Ca 0.07 -1.87 0.05 0.00 0.00 0.00 0.00 46.02 44.27 3gcm n GLY 489 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gcm n ASP 490 N -2.61 0.59 -3.50 1.61 8.00 0.46 -4.96 116.55 116.14 3gcm n ASP 490 Ca 0.00 -0.80 -0.14 0.00 0.71 0.00 0.00 54.79 54.57 3gcm n ASP 490 Cb 0.00 0.91 -0.04 0.00 -0.02 0.00 0.00 41.12 41.97 3gcm n ASP 490 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gcm s MET 491 N -1.84 1.15 -0.21 -1.24 0.23 -1.26 -0.41 119.30 115.71 3gcm s MET 491 Ca 0.05 -0.27 0.02 0.00 -1.03 0.00 0.00 55.69 54.45 3gcm s MET 491 Cb 0.08 0.53 0.04 0.00 -1.53 0.00 0.00 34.83 33.94 3gcm s MET 491 CO 0.38 -0.45 -0.16 0.34 -2.03 0.00 0.00 175.02 173.10 3gcm s ASP 492 N -2.21 3.65 -0.34 -1.18 -1.08 -0.77 -4.28 116.67 110.46 3gcm s ASP 492 Ca -0.03 -0.94 0.02 0.00 -0.52 0.00 0.00 52.55 51.08 3gcm s ASP 492 Cb -0.00 -1.51 0.10 0.00 -1.46 0.00 0.00 42.92 40.05 3gcm s ASP 492 CO -0.05 -0.07 0.08 0.12 0.52 0.00 0.00 175.17 175.76 3gcm s PHE 493 N 1.22 2.93 -0.16 -5.34 5.36 -0.60 -1.20 117.98 120.19 3gcm s PHE 493 Ca -0.00 -2.51 -0.06 0.00 -0.96 0.00 0.00 56.93 53.39 3gcm s PHE 493 Cb -0.16 -2.44 -0.04 0.00 -0.34 0.00 0.00 43.02 40.05 3gcm s PHE 493 CO -0.10 -0.91 0.05 0.15 -1.46 0.00 0.00 175.22 172.95 3gcm s LYS 494 N 1.13 3.74 -0.06 10.12 1.02 0.64 0.55 119.74 136.88 3gcm s LYS 494 Ca 0.11 -0.35 0.01 0.00 0.02 0.00 0.00 55.97 55.76 3gcm s LYS 494 Cb -0.19 -3.12 0.02 0.00 -0.52 0.00 0.00 37.83 34.03 3gcm s LYS 494 CO -0.14 0.40 -0.07 0.08 -0.92 0.00 0.00 175.35 174.70 3gcm s VAL 495 N 0.01 0.73 0.09 3.17 1.01 -0.88 -0.88 120.40 123.64 3gcm s VAL 495 Ca 0.05 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 61.88 3gcm s VAL 495 Cb -0.12 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 3gcm s VAL 495 CO 0.01 0.27 -0.18 0.00 0.00 0.00 0.00 175.10 175.20 3gcm s ALA 496 N 0.96 1.52 0.00 5.51 0.00 -0.22 -2.19 121.76 127.34 3gcm s ALA 496 Ca -0.10 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.73 3gcm s ALA 496 Cb -0.14 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.79 3gcm s ALA 496 CO 0.00 0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.45 3gcm n GLY 497 N 1.20 -0.71 0.00 0.00 0.00 -0.14 0.14 105.19 105.68 3gcm n GLY 497 Ca -0.20 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3gcm n GLY 497 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gcm n SER 498 N 0.00 0.00 0.27 1.61 3.41 -0.64 -2.07 113.62 116.20 3gcm n SER 498 Ca 0.00 -0.36 0.17 0.00 -0.26 0.00 0.00 58.87 58.42 3gcm n SER 498 Cb 0.00 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 64.60 3gcm n SER 498 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3gcm h ARG 499 N 0.00 0.00 -0.01 4.33 3.08 -1.96 -3.32 114.38 116.51 3gcm h ARG 499 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gcm h ARG 499 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3gcm h ARG 499 CO 0.00 0.01 -0.27 -0.25 -1.07 0.00 0.00 179.97 178.39 3gcm n ASP 500 N -3.11 1.12 0.00 7.04 8.00 -1.26 -5.08 116.55 123.26 3gcm n ASP 500 Ca 0.01 -1.06 0.00 0.00 0.71 0.00 0.00 54.79 54.45 3gcm n ASP 500 Cb 0.32 0.56 0.00 0.00 -0.02 0.00 0.00 41.12 41.99 3gcm n ASP 500 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gcm n GLY 501 N 0.98 -0.66 3.64 0.44 0.00 -1.25 -4.79 105.19 103.56 3gcm n GLY 501 Ca 0.04 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 3gcm n GLY 501 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gcm s ILE 502 N -2.00 5.31 -0.03 -0.61 1.01 0.60 -1.61 121.20 123.87 3gcm s ILE 502 Ca 0.00 0.28 0.05 0.00 0.00 0.00 0.00 60.65 60.98 3gcm s ILE 502 Cb 0.00 -3.56 -0.25 0.00 0.01 0.00 0.00 42.46 38.67 3gcm s ILE 502 CO 0.00 0.29 0.73 0.77 0.00 0.00 0.00 174.94 176.72 3gcm h SER 503 N 7.80 0.17 -3.92 3.58 4.64 -0.49 -2.80 113.55 122.53 3gcm h SER 503 Ca -0.36 -0.30 -0.13 0.00 -0.47 0.00 0.00 61.79 60.52 3gcm h SER 503 Cb 1.17 -0.06 -0.24 0.00 -0.31 0.00 0.00 62.40 62.97 3gcm h SER 503 CO 0.63 1.27 -0.29 0.00 -0.87 0.00 0.00 176.83 177.56 3gcm s ALA 504 N -2.61 -0.89 -0.05 5.18 0.00 -0.87 -0.35 121.76 122.18 3gcm s ALA 504 Ca -0.08 0.98 0.01 0.00 0.00 0.00 0.00 51.96 52.87 3gcm s ALA 504 Cb 0.08 -0.56 0.02 0.00 0.00 0.00 0.00 23.12 22.66 3gcm s ALA 504 CO 0.82 -0.17 -0.04 -1.17 0.00 0.00 0.00 175.76 175.20 3gcm s LEU 505 N 0.12 1.21 -0.03 0.00 2.96 -1.22 -1.06 118.68 120.66 3gcm s LEU 505 Ca -0.01 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 3gcm s LEU 505 Cb -0.03 -0.47 0.01 0.00 0.50 0.00 0.00 46.19 46.21 3gcm s LEU 505 CO 0.01 -0.08 -0.07 -1.58 -1.32 0.00 0.00 176.35 173.31 3gcm s GLN 506 N 1.12 0.92 -0.05 1.98 0.74 -0.06 -2.24 119.66 122.06 3gcm s GLN 506 Ca -0.08 -0.22 0.04 0.00 0.05 0.00 0.00 55.36 55.15 3gcm s GLN 506 Cb -0.14 -0.87 -0.00 0.00 1.10 0.00 0.00 33.01 33.10 3gcm s GLN 506 CO -0.01 0.03 -0.18 -1.64 -0.55 0.00 0.00 175.29 172.94 3gcm s MET 507 N 0.50 1.98 -0.38 1.67 -1.94 -0.32 -0.26 119.30 120.55 3gcm s MET 507 Ca -0.07 -0.64 0.01 0.00 -1.71 0.00 0.00 55.69 53.28 3gcm s MET 507 Cb -0.11 -1.67 0.12 0.00 2.01 0.00 0.00 34.83 35.18 3gcm s MET 507 CO 0.01 0.22 0.18 -0.51 -0.01 0.00 0.00 175.02 174.91 3gcm s ASP 508 N 0.15 3.67 -0.16 3.03 1.01 -0.34 -2.22 116.67 121.82 3gcm s ASP 508 Ca -0.07 -2.20 -0.11 0.00 0.71 0.00 0.00 52.55 50.88 3gcm s ASP 508 Cb -0.13 -0.86 -0.05 0.00 1.01 0.00 0.00 42.92 42.89 3gcm s ASP 508 CO 0.03 -0.33 0.22 -0.63 0.21 0.00 0.00 175.17 174.67 3gcm s ILE 509 N 0.93 5.36 -0.99 0.77 1.01 -0.74 -1.85 121.20 125.69 3gcm s ILE 509 Ca 0.15 0.38 0.19 0.00 0.00 0.00 0.00 60.65 61.37 3gcm s ILE 509 Cb -0.22 -3.54 -0.19 0.00 0.01 0.00 0.00 42.46 38.53 3gcm s ILE 509 CO -0.09 0.46 0.83 0.29 0.00 0.00 0.00 174.94 176.43 3gcm n LYS 510 N 3.14 0.79 -4.29 2.79 5.02 0.45 -4.86 118.16 121.19 3gcm n LYS 510 Ca -0.15 -0.09 -0.23 0.00 -2.02 0.00 0.00 58.31 55.82 3gcm n LYS 510 Cb 0.52 -1.40 -0.07 0.00 -0.02 0.00 0.00 35.03 34.07 3gcm n LYS 510 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3gcm s ILE 511 N -2.74 3.48 0.60 -0.18 -4.36 -1.25 -4.90 121.20 111.85 3gcm s ILE 511 Ca 0.08 -1.89 -0.07 0.00 -0.26 0.00 0.00 60.65 58.51 3gcm s ILE 511 Cb 0.15 -2.86 0.01 0.00 1.25 0.00 0.00 42.46 41.00 3gcm s ILE 511 CO 0.75 -0.37 0.92 -1.61 0.24 0.00 0.00 174.94 174.87 3gcm s GLU 512 N -3.66 2.97 -0.41 0.37 2.02 -1.26 -4.56 118.70 114.16 3gcm s GLU 512 Ca 0.31 0.08 -0.01 0.00 0.02 0.00 0.00 54.97 55.37 3gcm s GLU 512 Cb -0.06 -2.24 0.00 0.00 0.10 0.00 0.00 34.13 31.92 3gcm s GLU 512 CO 0.20 -0.70 0.18 0.41 0.02 0.00 0.00 175.26 175.36 3gcm n GLY 513 N -2.62 0.38 3.81 -1.39 0.00 -1.26 -5.05 105.19 99.06 3gcm n GLY 513 Ca 0.05 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 3gcm n GLY 513 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3gcm s ILE 514 N -2.73 3.94 0.17 -0.61 2.07 -1.26 -5.06 121.20 117.71 3gcm s ILE 514 Ca 0.09 1.03 0.11 0.00 -1.41 0.00 0.00 60.65 60.47 3gcm s ILE 514 Cb -0.04 -3.47 -0.04 0.00 0.13 0.00 0.00 42.46 39.04 3gcm s ILE 514 CO 0.11 -0.43 -0.24 -0.89 -1.91 0.00 0.00 174.94 171.58 3gcm s THR 515 N -2.29 2.37 0.30 4.00 2.01 -1.26 -4.66 115.64 116.10 3gcm s THR 515 Ca 0.64 -1.89 0.01 0.00 0.31 0.00 0.00 61.69 60.76 3gcm s THR 515 Cb -0.15 -2.11 0.28 0.00 0.01 0.00 0.00 72.50 70.54 3gcm s THR 515 CO 0.29 -0.03 1.89 0.50 -0.69 0.00 0.00 174.62 176.58 3gcm h LYS 516 N 3.47 1.00 -0.11 4.92 3.64 -1.99 -1.81 116.57 125.69 3gcm h LYS 516 Ca -0.48 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 58.83 3gcm h LYS 516 Cb 1.19 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3gcm h LYS 516 CO 0.45 0.66 0.05 1.49 -2.27 0.00 0.00 179.45 179.83 3gcm h GLU 517 N 1.03 0.16 -0.37 1.90 4.81 -1.99 -1.66 114.58 118.45 3gcm h GLU 517 Ca 0.42 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 3gcm h GLU 517 Cb 0.27 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3gcm h GLU 517 CO -0.17 0.23 0.24 0.82 -0.73 0.00 0.00 179.01 179.39 3gcm h ILE 518 N 0.05 1.10 -0.29 2.32 2.04 -1.90 -0.12 117.51 120.70 3gcm h ILE 518 Ca 0.04 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 3gcm h ILE 518 Cb 0.12 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3gcm h ILE 518 CO -0.00 0.10 0.17 0.24 0.00 0.00 0.00 178.15 178.66 3gcm h MET 519 N 0.49 0.39 -0.14 2.37 2.86 -1.30 0.01 114.93 119.61 3gcm h MET 519 Ca 0.13 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.61 3gcm h MET 519 Cb -0.04 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.54 3gcm h MET 519 CO -0.03 0.28 -0.42 0.37 1.06 0.00 0.00 176.91 178.17 3gcm h GLN 520 N 0.40 0.53 -0.71 1.72 4.15 -0.63 -2.20 115.11 118.37 3gcm h GLN 520 Ca 0.11 -0.38 -0.02 0.00 0.77 0.00 0.00 58.65 59.12 3gcm h GLN 520 Cb -0.00 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 3gcm h GLN 520 CO -0.02 1.01 0.36 0.28 -1.93 0.00 0.00 178.83 178.52 3gcm h VAL 521 N 0.15 1.23 -0.75 2.39 2.07 -0.67 -1.71 116.25 118.96 3gcm h VAL 521 Ca -0.01 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3gcm h VAL 521 Cb 1.04 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 3gcm h VAL 521 CO 0.09 0.26 0.41 0.00 0.02 0.00 0.00 177.57 178.35 3gcm h ALA 522 N 1.17 0.96 -0.32 1.67 0.00 -1.02 -1.17 119.26 120.54 3gcm h ALA 522 Ca 0.25 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3gcm h ALA 522 Cb 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3gcm h ALA 522 CO -0.03 0.47 -0.14 -0.07 0.00 0.00 0.00 179.25 179.48 3gcm h LEU 523 N 1.03 0.68 -0.32 0.00 3.38 -1.14 -0.58 115.31 118.36 3gcm h LEU 523 Ca 0.26 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 3gcm h LEU 523 Cb 0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3gcm h LEU 523 CO -0.04 0.93 -0.01 -1.13 0.09 0.00 0.00 178.44 178.28 3gcm h ASN 524 N 0.43 0.57 0.39 -0.43 -1.24 -1.26 -2.18 115.58 111.87 3gcm h ASN 524 Ca 0.07 -0.32 -0.08 0.00 0.71 0.00 0.00 56.30 56.68 3gcm h ASN 524 Cb 0.67 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.55 3gcm h ASN 524 CO 0.04 0.75 -0.39 -0.61 -1.29 0.00 0.00 177.43 175.94 3gcm h GLN 525 N 0.38 0.00 -0.00 6.67 4.15 -1.24 -2.55 115.11 122.52 3gcm h GLN 525 Ca 0.09 -0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.40 3gcm h GLN 525 Cb 0.47 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 3gcm h GLN 525 CO 0.02 0.39 -0.49 0.00 -1.93 0.00 0.00 178.83 176.82 3gcm h ALA 526 N 1.61 1.18 -0.02 3.38 0.00 -0.94 -3.09 119.26 121.37 3gcm h ALA 526 Ca -0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 3gcm h ALA 526 Cb 0.69 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3gcm h ALA 526 CO 0.05 0.62 -0.00 -0.22 0.00 0.00 0.00 179.25 179.70 3gcm h LYS 527 N 0.01 0.03 -0.52 0.00 3.64 -0.96 -2.74 116.57 116.03 3gcm h LYS 527 Ca -0.00 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3gcm h LYS 527 Cb 0.88 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 3gcm h LYS 527 CO 0.06 0.40 0.35 0.78 -2.27 0.00 0.00 179.45 178.77 3gcm h GLY 528 N -0.34 0.60 0.82 5.01 0.00 -1.60 -2.28 103.07 105.28 3gcm h GLY 528 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 3gcm h GLY 528 CO 0.00 0.15 0.03 0.00 0.00 0.00 0.00 176.54 176.72 3gcm h ALA 529 N 1.71 0.19 0.00 3.60 0.00 -1.44 -2.24 119.26 121.09 3gcm h ALA 529 Ca 0.22 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3gcm h ALA 529 Cb 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3gcm h ALA 529 CO -0.06 -0.15 -0.71 0.07 0.00 0.00 0.00 179.25 178.40 3gcm h ARG 530 N 0.03 0.00 -0.29 0.00 0.11 -1.28 -2.28 114.38 110.67 3gcm h ARG 530 Ca 0.05 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.06 3gcm h ARG 530 Cb 0.29 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.35 3gcm h ARG 530 CO 0.00 0.71 -0.09 -0.07 0.10 0.00 0.00 179.97 180.62 3gcm h LEU 531 N 0.00 0.45 -0.22 0.08 3.38 -1.41 0.32 115.31 117.91 3gcm h LEU 531 Ca -0.01 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3gcm h LEU 531 Cb 1.28 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3gcm h LEU 531 CO 0.09 0.58 -0.07 -0.74 0.09 0.00 0.00 178.44 178.39 3gcm h HIS 532 N 0.44 0.51 -0.39 1.13 2.76 -1.19 -1.97 115.15 116.44 3gcm h HIS 532 Ca 0.09 -0.12 -0.09 0.00 -2.20 0.00 0.00 60.37 58.06 3gcm h HIS 532 Cb 0.43 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 3gcm h HIS 532 CO 0.01 0.70 -0.10 0.82 -1.30 0.00 0.00 177.93 178.06 3gcm h ILE 533 N 0.17 1.28 -0.41 6.26 2.04 -1.15 -2.90 117.51 122.80 3gcm h ILE 533 Ca 0.05 -1.18 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 3gcm h ILE 533 Cb 0.55 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 3gcm h ILE 533 CO 0.03 0.39 0.20 -0.07 0.00 0.00 0.00 178.15 178.70 3gcm h LEU 534 N 0.55 0.50 -0.63 1.44 3.38 -0.42 -0.77 115.31 119.37 3gcm h LEU 534 Ca 0.10 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3gcm h LEU 534 Cb 0.62 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3gcm h LEU 534 CO 0.04 0.43 0.33 1.23 0.09 0.00 0.00 178.44 180.56 3gcm h GLY 535 N 0.68 0.96 1.46 0.83 0.00 -1.19 -0.48 103.07 105.33 3gcm h GLY 535 Ca 0.15 -0.45 -0.18 0.00 0.00 0.00 0.00 47.33 46.84 3gcm h GLY 535 CO -0.02 0.43 -0.67 -2.08 0.00 0.00 0.00 176.54 174.20 3gcm h VAL 536 N 0.86 1.34 -0.42 4.60 2.07 -1.26 -3.05 116.25 120.39 3gcm h VAL 536 Ca 0.22 -1.98 -0.06 0.00 0.82 0.00 0.00 66.70 65.70 3gcm h VAL 536 Cb 0.08 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3gcm h VAL 536 CO -0.03 0.61 0.01 0.24 0.02 0.00 0.00 177.57 178.42 3gcm h MET 537 N 0.39 0.67 -0.17 1.57 2.07 -0.99 -2.79 114.93 115.68 3gcm h MET 537 Ca -0.02 -0.16 -0.06 0.00 -2.07 0.00 0.00 59.70 57.39 3gcm h MET 537 Cb 1.25 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 30.88 3gcm h MET 537 CO 0.12 0.68 -0.16 0.93 1.07 0.00 0.00 176.91 179.55 3gcm h GLU 538 N 0.63 0.28 0.00 1.72 5.08 -1.01 -2.49 114.58 118.79 3gcm h GLU 538 Ca 0.13 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3gcm h GLU 538 Cb 0.38 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 3gcm h GLU 538 CO 0.01 0.45 -0.11 1.96 -1.00 0.00 0.00 179.01 180.32 3gcm h GLN 539 N 0.26 0.00 0.00 2.33 4.20 -1.39 -3.27 115.11 117.25 3gcm h GLN 539 Ca 0.05 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.66 3gcm h GLN 539 Cb 0.45 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 3gcm h GLN 539 CO 0.03 0.11 -0.77 0.00 -0.67 0.00 0.00 178.83 177.52 3gcm h ALA 540 N 1.89 0.11 -2.62 3.87 0.00 -1.51 -3.49 119.26 117.52 3gcm h ALA 540 Ca -0.00 -0.78 -0.11 0.00 0.00 0.00 0.00 54.91 54.02 3gcm h ALA 540 Cb 0.30 0.55 -0.27 0.00 0.00 0.00 0.00 17.79 18.38 3gcm h ALA 540 CO 0.01 0.54 -0.31 -1.50 0.00 0.00 0.00 179.25 177.99 3gcm s ILE 541 N -2.25 -0.13 -0.10 0.00 2.07 -0.97 -5.06 121.20 114.77 3gcm s ILE 541 Ca -0.20 0.11 0.01 0.00 -1.41 0.00 0.00 60.65 59.15 3gcm s ILE 541 Cb 0.03 -0.62 0.01 0.00 0.13 0.00 0.00 42.46 42.01 3gcm s ILE 541 CO 0.38 0.04 0.64 -0.46 -1.91 0.00 0.00 174.94 173.64 3gcm n ASN 542 N 4.45 1.29 -3.54 4.50 0.23 -1.26 -4.33 115.26 116.60 3gcm n ASN 542 Ca -0.21 -1.25 -0.18 0.00 -0.53 0.00 0.00 54.58 52.41 3gcm n ASN 542 Cb 0.54 -0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.18 3gcm n ASN 542 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gcm s ALA 543 N -0.28 -1.69 -1.92 -2.53 0.00 -1.26 -4.99 121.76 109.08 3gcm s ALA 543 Ca 0.01 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.24 3gcm s ALA 543 Cb 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.10 3gcm s ALA 543 CO 0.01 -0.36 0.48 -2.30 0.00 0.00 0.00 175.76 173.59