#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uwt s GLU 2 N 0.00 4.27 0.11 0.00 2.02 -1.26 -5.04 118.70 118.80 2uwt s GLU 2 Ca 0.00 1.29 -0.31 0.00 0.02 0.00 0.00 54.97 55.97 2uwt s GLU 2 Cb 0.00 -2.42 -0.07 0.00 0.10 0.00 0.00 34.13 31.74 2uwt s GLU 2 CO 0.00 -0.01 1.28 -0.47 0.02 0.00 0.00 175.26 176.08 2uwt s TYR 3 N -1.89 3.34 -1.88 1.61 5.04 -1.26 -4.96 117.35 117.35 2uwt s TYR 3 Ca 0.58 1.17 0.19 0.00 -2.44 0.00 0.00 57.07 56.57 2uwt s TYR 3 Cb -0.15 -3.54 0.04 0.00 0.35 0.00 0.00 41.96 38.65 2uwt s TYR 3 CO 0.20 -1.76 0.99 1.04 -1.34 0.00 0.00 175.55 174.67 2uwt n GLN 4 N 3.61 1.57 -1.87 4.97 1.13 -1.26 -4.99 117.38 120.54 2uwt n GLN 4 Ca 0.09 -1.09 -0.17 0.00 -1.94 0.00 0.00 57.00 53.89 2uwt n GLN 4 Cb 0.44 -1.35 -0.04 0.00 0.11 0.00 0.00 30.24 29.39 2uwt n GLN 4 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2uwt n ASN 5 N 0.24 -5.01 0.02 1.08 5.15 -1.26 -4.89 115.26 110.58 2uwt n ASN 5 Ca 0.09 0.22 -0.19 0.00 -0.60 0.00 0.00 54.58 54.10 2uwt n ASN 5 Cb 0.41 -4.05 -0.11 0.00 -0.53 0.00 0.00 39.78 35.50 2uwt n ASN 5 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2uwt h ILE 6 N 0.00 1.39 -4.11 -1.44 1.08 -1.95 -3.46 117.51 109.02 2uwt h ILE 6 Ca -0.37 -2.18 -0.56 0.00 -0.39 0.00 0.00 64.86 61.35 2uwt h ILE 6 Cb 1.19 2.60 -0.25 0.00 -3.07 0.00 0.00 36.82 37.29 2uwt h ILE 6 CO 0.49 0.65 -0.83 -0.36 -0.69 0.00 0.00 178.15 177.41 2uwt s PHE 7 N -3.15 1.75 0.38 1.37 0.08 -1.26 -4.77 117.98 112.37 2uwt s PHE 7 Ca -0.12 -0.38 -0.26 0.00 0.12 0.00 0.00 56.93 56.29 2uwt s PHE 7 Cb 0.04 -1.02 -0.09 0.00 -0.57 0.00 0.00 43.02 41.38 2uwt s PHE 7 CO 0.86 0.11 1.15 -1.12 -0.10 0.00 0.00 175.22 176.12 2uwt s SER 8 N -1.33 6.68 0.05 1.36 0.01 0.63 -4.96 113.70 116.14 2uwt s SER 8 Ca 0.07 2.32 -0.01 0.00 1.31 0.00 0.00 55.95 59.64 2uwt s SER 8 Cb -0.09 -2.62 -0.27 0.00 0.21 0.00 0.00 66.02 63.26 2uwt s SER 8 CO 0.02 -0.56 1.05 1.56 0.41 0.00 0.00 173.24 175.72 2uwt h GLN 9 N 2.85 0.20 -3.90 12.44 4.20 -1.97 -3.46 115.11 125.48 2uwt h GLN 9 Ca -0.48 -0.34 -0.41 0.00 0.06 0.00 0.00 58.65 57.48 2uwt h GLN 9 Cb 1.23 0.13 -0.35 0.00 0.30 0.00 0.00 27.48 28.79 2uwt h GLN 9 CO 0.63 1.11 -0.77 0.08 -0.67 0.00 0.00 178.83 179.21 2uwt s VAL 10 N -2.65 0.44 0.16 -0.54 1.01 -1.26 -5.14 120.40 112.43 2uwt s VAL 10 Ca -0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 2uwt s VAL 10 Cb 0.08 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.89 2uwt s VAL 10 CO 0.86 0.22 0.36 -1.10 0.00 0.00 0.00 175.10 175.44 2uwt s GLN 11 N 1.21 3.55 0.08 2.72 -0.21 -1.26 -5.10 119.66 120.64 2uwt s GLN 11 Ca -0.07 -0.26 0.04 0.00 0.02 0.00 0.00 55.36 55.09 2uwt s GLN 11 Cb -0.14 -2.87 -0.03 0.00 1.00 0.00 0.00 33.01 30.97 2uwt s GLN 11 CO -0.02 0.45 -0.11 0.14 -2.12 0.00 0.00 175.29 173.64 2uwt s VAL 12 N -1.74 0.92 0.03 1.09 -7.23 -1.26 -5.16 120.40 107.05 2uwt s VAL 12 Ca 0.39 -1.44 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 2uwt s VAL 12 Cb -0.12 -1.14 -0.02 0.00 0.56 0.00 0.00 36.38 35.66 2uwt s VAL 12 CO 0.27 -0.43 -0.04 -0.60 -0.31 0.00 0.00 175.10 174.00 2uwt s ARG 13 N -2.26 0.40 0.00 4.82 3.52 -1.26 -5.04 118.95 119.13 2uwt s ARG 13 Ca 0.00 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 54.85 2uwt s ARG 13 Cb -0.06 0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.41 2uwt s ARG 13 CO 0.01 -0.05 0.00 0.41 -0.81 0.00 0.00 175.30 174.86 2uwt n GLY 14 N 1.28 3.95 3.60 8.12 0.00 -1.26 -5.13 105.19 115.75 2uwt n GLY 14 Ca -0.22 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 2uwt n GLY 14 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2uwt n PRO 15 N 0.00 1.40 -1.58 1.61 -0.02 -1.26 -4.79 135.00 130.36 2uwt n PRO 15 Ca 0.00 0.49 -0.49 0.00 -2.02 0.00 0.00 63.50 61.49 2uwt n PRO 15 Cb 0.00 -1.94 -0.04 0.00 -0.02 0.00 0.00 33.50 31.50 2uwt n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2uwt n ALA 16 N -0.05 -0.79 -2.63 3.55 0.00 -1.26 -4.89 120.51 114.44 2uwt n ALA 16 Ca 0.09 0.46 -0.40 0.00 0.00 0.00 0.00 53.44 53.59 2uwt n ALA 16 Cb 0.35 -2.02 -0.07 0.00 0.00 0.00 0.00 19.45 17.71 2uwt n ALA 16 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2uwt s ASP 17 N -0.04 6.53 0.00 0.00 -1.08 -1.26 -4.91 116.67 115.91 2uwt s ASP 17 Ca 0.72 0.65 0.22 0.00 -0.52 0.00 0.00 52.55 53.62 2uwt s ASP 17 Cb -0.85 -2.31 -0.08 0.00 -1.46 0.00 0.00 42.92 38.22 2uwt s ASP 17 CO 0.53 -0.29 1.01 0.18 0.52 0.00 0.00 175.17 177.12 2uwt n LEU 18 N 5.40 1.27 0.00 -1.34 4.77 -1.26 -4.63 117.00 121.21 2uwt n LEU 18 Ca -0.03 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 2uwt n LEU 18 Cb 0.50 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2uwt n LEU 18 CO 0.42 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 2uwt n GLY 19 N 1.47 -0.34 3.83 -0.72 0.00 -1.26 -4.92 105.19 103.25 2uwt n GLY 19 Ca 0.06 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 2uwt n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2uwt s MET 20 N -1.27 4.10 -0.23 1.61 -1.94 -1.26 -5.01 119.30 115.31 2uwt s MET 20 Ca 0.00 0.99 -0.16 0.00 -1.71 0.00 0.00 55.69 54.81 2uwt s MET 20 Cb 0.00 -2.21 -0.09 0.00 2.01 0.00 0.00 34.83 34.54 2uwt s MET 20 CO 0.00 -0.07 -0.35 2.41 -0.01 0.00 0.00 175.02 176.99 2uwt n THR 21 N -0.90 1.51 0.00 2.05 -1.04 -1.26 -4.92 114.28 109.72 2uwt n THR 21 Ca 0.06 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 2uwt n THR 21 Cb 0.54 -2.11 0.00 0.00 -1.82 0.00 0.00 70.33 66.94 2uwt n THR 21 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2uwt n GLU 22 N -4.35 0.00 -0.62 -2.82 -0.58 -1.26 -0.05 120.64 110.97 2uwt n GLU 22 Ca -0.35 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.47 2uwt n GLU 22 Cb 0.70 0.00 0.32 0.00 -0.57 0.00 0.00 31.44 31.90 2uwt n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2uwt n ASP 23 N 2.85 4.65 -4.74 1.62 8.00 -0.46 -4.99 116.55 123.48 2uwt n ASP 23 Ca 0.00 -2.76 -0.41 0.00 0.71 0.00 0.00 54.79 52.33 2uwt n ASP 23 Cb 0.00 -0.57 -0.03 0.00 -0.02 0.00 0.00 41.12 40.50 2uwt n ASP 23 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2uwt s VAL 24 N -2.40 3.29 -0.49 2.53 1.01 0.93 -4.89 120.40 120.38 2uwt s VAL 24 Ca 0.47 1.07 -0.27 0.00 0.00 0.00 0.00 61.98 63.25 2uwt s VAL 24 Cb 0.34 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 2uwt s VAL 24 CO 0.16 0.17 2.02 0.21 0.00 0.00 0.00 175.10 177.65 2uwt s ASN 25 N 0.26 5.20 0.42 3.32 3.84 -1.26 -4.86 114.94 121.86 2uwt s ASN 25 Ca 0.55 0.87 0.29 0.00 0.21 0.00 0.00 52.86 54.78 2uwt s ASN 25 Cb -0.36 -2.52 1.26 0.00 -0.55 0.00 0.00 41.25 39.08 2uwt s ASN 25 CO 0.38 -2.33 1.87 -0.07 -2.79 0.00 0.00 177.10 174.16 2uwt h LEU 26 N 16.55 0.00 -1.51 3.21 3.38 -1.94 -2.43 115.31 132.57 2uwt h LEU 26 Ca -0.28 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 2uwt h LEU 26 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2uwt h LEU 26 CO 1.14 0.00 -0.23 0.00 0.09 0.00 0.00 178.44 179.45 2uwt h ALA 27 N 2.12 1.24 -0.30 1.53 0.00 -2.02 -2.85 119.26 118.98 2uwt h ALA 27 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2uwt h ALA 27 Cb 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2uwt h ALA 27 CO 0.00 0.28 0.00 0.09 0.00 0.00 0.00 179.25 179.62 2uwt n ASN 28 N -3.70 1.88 -4.78 0.00 3.02 -0.91 -4.87 115.26 105.90 2uwt n ASN 28 Ca -0.01 -1.90 -0.37 0.00 -0.03 0.00 0.00 54.58 52.27 2uwt n ASN 28 Cb 0.34 -0.20 -0.07 0.00 -0.61 0.00 0.00 39.78 39.24 2uwt n ASN 28 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2uwt s ARG 29 N -1.60 4.03 1.04 3.52 0.52 -1.08 -0.24 118.95 125.14 2uwt s ARG 29 Ca 0.27 0.06 -0.17 0.00 -0.52 0.00 0.00 55.73 55.37 2uwt s ARG 29 Cb 0.15 -3.34 0.27 0.00 0.52 0.00 0.00 34.95 32.54 2uwt s ARG 29 CO 0.20 0.43 0.60 -1.13 0.02 0.00 0.00 175.30 175.42 2uwt n SER 30 N 2.96 -3.50 -4.80 0.23 3.41 -0.02 -4.96 113.62 106.94 2uwt n SER 30 Ca -0.14 -0.61 -0.23 0.00 -0.26 0.00 0.00 58.87 57.63 2uwt n SER 30 Cb 0.53 -0.71 0.08 0.00 -0.26 0.00 0.00 64.21 63.85 2uwt n SER 30 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2uwt s GLY 31 N -2.69 1.78 0.48 5.00 0.00 -1.26 -4.69 107.32 105.94 2uwt s GLY 31 Ca 0.46 -1.57 -0.22 0.00 0.00 0.00 0.00 44.72 43.39 2uwt s GLY 31 CO 0.39 -1.11 1.21 -1.34 0.00 0.00 0.00 173.10 172.25 2uwt s VAL 32 N -3.00 2.88 0.00 1.40 -7.23 -1.26 -4.29 120.40 108.89 2uwt s VAL 32 Ca 0.63 0.65 0.00 0.00 -1.81 0.00 0.00 61.98 61.45 2uwt s VAL 32 Cb -0.07 -3.33 0.00 0.00 0.56 0.00 0.00 36.38 33.54 2uwt s VAL 32 CO 0.42 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.81 2uwt n GLY 33 N 0.50 -1.45 3.71 2.32 0.00 0.36 -4.94 105.19 105.68 2uwt n GLY 33 Ca 0.08 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 2uwt n GLY 33 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2uwt s PRO 34 N -2.46 -0.34 -0.14 1.61 0.04 -1.26 -4.63 135.00 127.82 2uwt s PRO 34 Ca 0.00 -0.06 -0.02 0.00 0.04 0.00 0.00 61.00 60.96 2uwt s PRO 34 Cb 0.00 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.82 2uwt s PRO 34 CO 0.00 -3.13 -0.09 -0.06 0.04 0.00 0.00 177.00 173.76 2uwt s PHE 35 N -3.25 2.91 -0.43 0.56 0.40 -1.26 -2.22 117.98 114.69 2uwt s PHE 35 Ca 0.70 -0.45 -0.07 0.00 -0.60 0.00 0.00 56.93 56.51 2uwt s PHE 35 Cb -0.10 -1.89 0.11 0.00 0.51 0.00 0.00 43.02 41.65 2uwt s PHE 35 CO 0.55 -0.10 0.27 0.45 0.70 0.00 0.00 175.22 177.08 2uwt s SER 36 N 0.30 5.51 0.55 1.36 0.15 0.26 -4.92 113.70 116.91 2uwt s SER 36 Ca -0.07 -1.87 0.28 0.00 0.70 0.00 0.00 55.95 54.99 2uwt s SER 36 Cb -0.15 -1.93 1.45 0.00 -1.71 0.00 0.00 66.02 63.68 2uwt s SER 36 CO 0.04 -0.60 1.96 0.74 1.20 0.00 0.00 173.24 176.58 2uwt h THR 37 N 6.22 0.61 0.26 6.45 2.02 -1.97 -1.57 112.91 124.93 2uwt h THR 37 Ca -0.18 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 2uwt h THR 37 Cb 1.06 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2uwt h THR 37 CO 0.78 0.00 -0.13 0.25 0.37 0.00 0.00 175.52 176.79 2uwt h LEU 38 N 0.00 -0.30 -0.71 2.58 5.85 -1.96 -3.03 115.31 117.74 2uwt h LEU 38 Ca 0.28 -0.23 0.15 0.00 0.84 0.00 0.00 57.88 58.92 2uwt h LEU 38 Cb 1.18 0.08 -0.10 0.00 0.37 0.00 0.00 40.66 42.19 2uwt h LEU 38 CO -0.00 0.12 0.20 -0.07 -0.34 0.00 0.00 178.44 178.35 2uwt h LEU 39 N -0.78 0.08 -0.39 2.25 4.07 -1.79 -2.78 115.31 115.96 2uwt h LEU 39 Ca -0.04 0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.05 2uwt h LEU 39 Cb 0.51 0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.41 2uwt h LEU 39 CO 0.06 0.01 0.01 0.61 -1.08 0.00 0.00 178.44 178.05 2uwt n GLY 40 N -1.34 -0.59 0.22 0.83 0.00 -0.62 -0.50 105.19 103.18 2uwt n GLY 40 Ca 0.13 0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.31 2uwt n GLY 40 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2uwt h TRP 41 N 0.00 0.00 0.00 1.61 4.06 -1.44 -3.40 115.95 116.78 2uwt h TRP 41 Ca 0.00 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.91 2uwt h TRP 41 Cb 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.18 2uwt h TRP 41 CO 0.00 0.20 -1.14 0.34 -3.56 0.00 0.00 178.44 174.28 2uwt n PHE 42 N -3.29 0.00 -1.78 0.49 7.35 0.34 -0.27 117.46 120.30 2uwt n PHE 42 Ca 0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 2uwt n PHE 42 Cb 0.46 -0.09 0.00 0.00 0.35 0.00 0.00 39.48 40.20 2uwt n PHE 42 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2uwt n GLY 43 N 3.09 5.32 3.76 7.13 0.00 0.13 -4.91 105.19 119.71 2uwt n GLY 43 Ca -0.05 -1.38 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 2uwt n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2uwt s ASN 44 N 1.00 6.89 0.22 1.61 0.01 -1.26 -3.82 114.94 119.60 2uwt s ASN 44 Ca 0.00 2.54 0.12 0.00 -0.71 0.00 0.00 52.86 54.81 2uwt s ASN 44 Cb 0.00 -2.63 0.02 0.00 0.41 0.00 0.00 41.25 39.05 2uwt s ASN 44 CO 0.00 -0.46 1.41 0.00 -1.51 0.00 0.00 177.10 176.54 2uwt h ALA 45 N 4.02 0.59 -2.72 0.60 0.00 -1.86 -3.37 119.26 116.51 2uwt h ALA 45 Ca -0.47 -0.63 -0.51 0.00 0.00 0.00 0.00 54.91 53.30 2uwt h ALA 45 Cb 1.22 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.91 2uwt h ALA 45 CO 0.69 0.86 0.50 -1.14 0.00 0.00 0.00 179.25 180.16 2uwt s GLN 46 N -2.94 4.58 -0.02 0.00 0.74 -1.26 -0.57 119.66 120.19 2uwt s GLN 46 Ca 0.02 1.80 0.02 0.00 0.05 0.00 0.00 55.36 57.25 2uwt s GLN 46 Cb 0.09 -3.23 -0.03 0.00 1.10 0.00 0.00 33.01 30.94 2uwt s GLN 46 CO 0.77 0.09 -0.03 -0.51 -0.55 0.00 0.00 175.29 175.06 2uwt s LEU 47 N -0.81 3.37 0.00 3.68 2.01 -0.94 -4.94 118.68 121.05 2uwt s LEU 47 Ca 0.48 -0.04 0.00 0.00 0.01 0.00 0.00 54.13 54.58 2uwt s LEU 47 Cb -0.31 -1.89 0.00 0.00 0.01 0.00 0.00 46.19 43.99 2uwt s LEU 47 CO 0.38 0.30 0.00 0.61 1.01 0.00 0.00 176.35 178.65 2uwt n GLY 48 N 1.61 -1.01 3.62 -3.19 0.00 -1.26 -0.49 105.19 104.47 2uwt n GLY 48 Ca -0.16 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 2uwt n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2uwt s PRO 49 N -0.52 -0.50 0.24 1.61 0.05 -1.26 -4.65 135.00 129.97 2uwt s PRO 49 Ca 0.00 0.23 0.10 0.00 0.05 0.00 0.00 61.00 61.38 2uwt s PRO 49 Cb 0.00 -1.65 -0.05 0.00 0.05 0.00 0.00 34.50 32.85 2uwt s PRO 49 CO 0.00 -3.29 -0.18 -1.50 0.05 0.00 0.00 177.00 172.08 2uwt s ILE 50 N -2.96 2.12 -0.21 0.56 2.07 -1.26 -4.93 121.20 116.59 2uwt s ILE 50 Ca 0.68 -2.28 -0.12 0.00 -1.41 0.00 0.00 60.65 57.51 2uwt s ILE 50 Cb -0.15 -2.16 -0.05 0.00 0.13 0.00 0.00 42.46 40.24 2uwt s ILE 50 CO 0.57 -0.47 0.24 -0.47 -1.91 0.00 0.00 174.94 172.90 2uwt s TYR 51 N -2.65 3.37 0.00 3.50 6.14 -1.26 -0.84 117.35 125.61 2uwt s TYR 51 Ca 0.26 0.40 0.00 0.00 0.64 0.00 0.00 57.07 58.37 2uwt s TYR 51 Cb -0.03 -2.33 0.00 0.00 0.42 0.00 0.00 41.96 40.01 2uwt s TYR 51 CO 0.11 0.10 0.00 1.28 0.64 0.00 0.00 175.55 177.68 2uwt n LEU 52 N 4.12 0.00 -0.26 6.97 7.99 0.67 -4.93 117.00 131.55 2uwt n LEU 52 Ca -0.13 0.00 0.03 0.00 -0.01 0.00 0.00 56.01 55.90 2uwt n LEU 52 Cb 0.52 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.81 2uwt n LEU 52 CO 0.37 0.00 -0.10 0.61 -1.51 0.00 0.00 177.39 176.76 2uwt n GLY 53 N 3.92 -2.42 0.08 -0.72 0.00 -1.26 -3.73 105.19 101.06 2uwt n GLY 53 Ca 0.00 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.50 2uwt n GLY 53 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2uwt h SER 54 N -0.26 0.11 -0.99 1.61 0.02 -1.99 -1.94 113.55 110.11 2uwt h SER 54 Ca -0.03 -0.29 0.12 0.00 -0.84 0.00 0.00 61.79 60.76 2uwt h SER 54 Cb 0.25 -0.03 -0.08 0.00 0.14 0.00 0.00 62.40 62.68 2uwt h SER 54 CO 0.01 0.37 0.62 -0.07 -1.14 0.00 0.00 176.83 176.62 2uwt h LEU 55 N -0.15 0.91 -0.40 5.07 3.38 -1.95 -0.78 115.31 121.38 2uwt h LEU 55 Ca 0.02 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2uwt h LEU 55 Cb 0.31 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2uwt h LEU 55 CO 0.00 0.48 0.17 1.23 0.09 0.00 0.00 178.44 180.41 2uwt h GLY 56 N 0.98 0.63 0.84 0.83 0.00 -1.58 -1.42 103.07 103.34 2uwt h GLY 56 Ca 0.49 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 2uwt h GLY 56 CO -0.27 0.32 0.04 -2.08 0.00 0.00 0.00 176.54 174.54 2uwt h VAL 57 N 0.50 1.18 -0.49 4.60 2.07 -0.92 -1.32 116.25 121.86 2uwt h VAL 57 Ca 0.13 -0.54 0.10 0.00 0.82 0.00 0.00 66.70 67.21 2uwt h VAL 57 Cb 0.17 1.32 -0.08 0.00 -1.52 0.00 0.00 31.29 31.18 2uwt h VAL 57 CO -0.01 0.16 -0.01 0.25 0.02 0.00 0.00 177.57 177.97 2uwt h LEU 58 N -0.00 -0.24 -0.36 2.57 5.85 -1.02 0.11 115.31 122.22 2uwt h LEU 58 Ca 0.04 0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.75 2uwt h LEU 58 Cb 0.22 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2uwt h LEU 58 CO -0.00 -0.08 -0.27 -1.28 -0.34 0.00 0.00 178.44 176.47 2uwt h SER 59 N 0.10 0.85 -0.28 1.25 0.87 -1.05 -0.53 113.55 114.77 2uwt h SER 59 Ca 0.25 -0.44 -0.05 0.00 -1.23 0.00 0.00 61.79 60.31 2uwt h SER 59 Cb 0.37 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2uwt h SER 59 CO -0.42 1.11 -0.03 0.25 -0.53 0.00 0.00 176.83 177.21 2uwt h LEU 60 N 0.60 0.50 -0.50 2.23 5.85 -0.89 -0.83 115.31 122.27 2uwt h LEU 60 Ca 0.07 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 2uwt h LEU 60 Cb 0.84 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 2uwt h LEU 60 CO 0.07 0.72 0.19 0.15 -0.34 0.00 0.00 178.44 179.23 2uwt h PHE 61 N 0.28 0.78 -0.56 1.25 3.57 -0.63 -1.26 116.94 120.37 2uwt h PHE 61 Ca 0.07 -0.07 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 2uwt h PHE 61 Cb 0.48 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 2uwt h PHE 61 CO 0.04 0.66 -0.01 1.03 -2.23 0.00 0.00 178.31 177.80 2uwt h SER 62 N 0.68 0.94 -0.32 0.41 0.87 -1.06 -0.13 113.55 114.93 2uwt h SER 62 Ca 0.17 -0.26 -0.16 0.00 -1.23 0.00 0.00 61.79 60.31 2uwt h SER 62 Cb 0.22 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2uwt h SER 62 CO -0.01 1.00 -0.41 1.23 -0.53 0.00 0.00 176.83 178.11 2uwt h GLY 63 N 0.99 0.96 0.93 5.77 0.00 -0.89 -1.68 103.07 109.15 2uwt h GLY 63 Ca 0.16 -1.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.48 2uwt h GLY 63 CO 0.03 0.90 0.13 1.41 0.00 0.00 0.00 176.54 179.00 2uwt h LEU 64 N 0.72 0.36 -1.30 3.11 3.38 -1.07 -1.87 115.31 118.64 2uwt h LEU 64 Ca 0.05 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.00 2uwt h LEU 64 Cb 0.99 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 2uwt h LEU 64 CO 0.10 0.40 0.54 0.24 0.09 0.00 0.00 178.44 179.81 2uwt h MET 65 N 0.30 0.73 -0.21 1.13 2.86 -0.90 0.31 114.93 119.16 2uwt h MET 65 Ca 0.09 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2uwt h MET 65 Cb 0.13 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 2uwt h MET 65 CO -0.01 0.49 0.01 2.35 1.06 0.00 0.00 176.91 180.81 2uwt h TRP 66 N 0.76 0.39 -0.65 -0.22 7.01 -1.06 0.12 115.95 122.30 2uwt h TRP 66 Ca 0.39 -0.06 -0.06 0.00 2.11 0.00 0.00 58.89 61.28 2uwt h TRP 66 Cb 0.50 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.43 2uwt h TRP 66 CO -0.00 0.53 0.18 0.35 -2.79 0.00 0.00 178.44 176.71 2uwt h PHE 67 N 0.14 1.06 0.03 2.65 3.57 -0.46 -2.52 116.94 121.42 2uwt h PHE 67 Ca 0.06 -0.12 -0.23 0.00 3.53 0.00 0.00 57.97 61.21 2uwt h PHE 67 Cb 0.36 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.80 2uwt h PHE 67 CO 0.03 0.87 -1.01 0.74 -2.23 0.00 0.00 178.31 176.71 2uwt h PHE 68 N 0.94 0.51 -0.93 0.41 0.05 -0.37 -1.62 116.94 115.93 2uwt h PHE 68 Ca 0.21 -0.30 -0.01 0.00 3.82 0.00 0.00 57.97 61.69 2uwt h PHE 68 Cb 0.32 -0.05 -0.04 0.00 2.00 0.00 0.00 35.95 38.18 2uwt h PHE 68 CO 0.02 1.15 0.56 1.15 -0.18 0.00 0.00 178.31 181.01 2uwt h THR 69 N 0.16 1.26 -0.33 -1.55 2.02 -0.84 0.15 112.91 113.78 2uwt h THR 69 Ca -0.09 -0.56 -0.15 0.00 0.77 0.00 0.00 66.41 66.39 2uwt h THR 69 Cb 1.67 -0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 2uwt h THR 69 CO 0.17 0.27 -0.36 0.40 0.37 0.00 0.00 175.52 176.36 2uwt h ILE 70 N 1.28 1.29 -0.46 3.11 2.04 -1.40 -3.05 117.51 120.31 2uwt h ILE 70 Ca 0.33 -1.54 -0.13 0.00 1.00 0.00 0.00 64.86 64.52 2uwt h ILE 70 Cb -0.05 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2uwt h ILE 70 CO -0.06 0.50 -0.24 1.23 0.00 0.00 0.00 178.15 179.59 2uwt h GLY 71 N 0.61 1.05 0.88 5.37 0.00 -0.88 -1.37 103.07 108.73 2uwt h GLY 71 Ca 0.05 -0.96 0.02 0.00 0.00 0.00 0.00 47.33 46.44 2uwt h GLY 71 CO 0.09 0.87 0.23 -2.22 0.00 0.00 0.00 176.54 175.51 2uwt h ILE 72 N 0.81 1.03 -0.55 2.60 5.03 -0.80 -0.73 117.51 124.90 2uwt h ILE 72 Ca 0.10 -0.16 -0.00 0.00 -0.12 0.00 0.00 64.86 64.67 2uwt h ILE 72 Cb 0.82 0.51 -0.03 0.00 -3.03 0.00 0.00 36.82 35.10 2uwt h ILE 72 CO 0.07 0.09 0.32 -0.25 -0.68 0.00 0.00 178.15 177.70 2uwt h TRP 73 N 0.47 0.72 -0.19 1.37 2.91 -1.39 -1.01 115.95 118.83 2uwt h TRP 73 Ca 0.16 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.15 2uwt h TRP 73 Cb 0.02 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 28.43 2uwt h TRP 73 CO -0.08 0.49 -0.03 0.74 -1.03 0.00 0.00 178.44 178.53 2uwt h PHE 74 N 0.75 0.38 -0.69 2.65 -1.00 -0.59 -0.76 116.94 117.68 2uwt h PHE 74 Ca 0.20 -0.08 0.06 0.00 2.81 0.00 0.00 57.97 60.96 2uwt h PHE 74 Cb -0.02 -0.10 -0.06 0.00 3.61 0.00 0.00 35.95 39.39 2uwt h PHE 74 CO 0.00 0.58 0.39 -1.49 -1.61 0.00 0.00 178.31 176.18 2uwt h TRP 75 N 0.07 0.71 -0.40 -0.55 4.06 -0.78 -0.61 115.95 118.46 2uwt h TRP 75 Ca 0.05 0.03 0.03 0.00 2.06 0.00 0.00 58.89 61.05 2uwt h TRP 75 Cb 0.44 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 28.35 2uwt h TRP 75 CO 0.04 0.34 0.21 -0.92 -3.56 0.00 0.00 178.44 174.55 2uwt h TYR 76 N 0.71 0.38 0.00 0.49 3.20 -0.99 -0.27 116.97 120.49 2uwt h TYR 76 Ca 0.31 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.18 2uwt h TYR 76 Cb 0.20 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.35 2uwt h TYR 76 CO -0.07 0.20 -0.10 1.96 -1.64 0.00 0.00 178.16 178.51 2uwt h GLN 77 N 0.42 0.00 -0.00 1.82 4.20 -0.59 -1.57 115.11 119.38 2uwt h GLN 77 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2uwt h GLN 77 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2uwt h GLN 77 CO -0.11 0.10 -0.03 0.00 -0.67 0.00 0.00 178.83 178.11 2uwt n ALA 78 N -2.39 2.67 -3.75 3.87 0.00 -0.29 -4.92 120.51 115.70 2uwt n ALA 78 Ca -0.02 -0.25 -0.27 0.00 0.00 0.00 0.00 53.44 52.89 2uwt n ALA 78 Cb 0.18 -1.40 0.05 0.00 0.00 0.00 0.00 19.45 18.28 2uwt n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2uwt n GLY 79 N 1.15 -0.52 2.98 0.00 0.00 -0.59 -2.62 105.19 105.58 2uwt n GLY 79 Ca 0.19 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2uwt n GLY 79 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2uwt n TRP 80 N -4.82 0.00 -3.08 1.61 7.02 -0.22 -4.94 117.44 113.01 2uwt n TRP 80 Ca 0.03 0.00 -0.44 0.00 -1.02 0.00 0.00 57.50 56.07 2uwt n TRP 80 Cb 0.54 -1.45 -0.06 0.00 -2.42 0.00 0.00 31.31 27.93 2uwt n TRP 80 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 2uwt s ASN 81 N -2.05 6.24 0.29 -0.99 3.84 -1.08 -4.95 114.94 116.24 2uwt s ASN 81 Ca 0.00 -0.86 -0.04 0.00 0.21 0.00 0.00 52.86 52.18 2uwt s ASN 81 Cb 0.00 -2.33 0.59 0.00 -0.55 0.00 0.00 41.25 38.96 2uwt s ASN 81 CO 0.00 -1.01 1.57 -0.65 -2.79 0.00 0.00 177.10 174.22 2uwt h PRO 82 N 9.10 0.00 -0.20 0.43 0.11 -1.92 0.17 132.00 139.70 2uwt h PRO 82 Ca -0.27 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.75 2uwt h PRO 82 Cb 1.09 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2uwt h PRO 82 CO 1.01 0.00 -0.25 0.00 -0.21 0.00 0.00 178.00 178.55 2uwt h ALA 83 N 1.99 1.20 0.05 -0.75 0.00 -1.96 -2.00 119.26 117.79 2uwt h ALA 83 Ca 0.53 -0.32 -0.26 0.00 0.00 0.00 0.00 54.91 54.85 2uwt h ALA 83 Cb 0.95 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.65 2uwt h ALA 83 CO -0.98 0.52 -1.09 0.28 0.00 0.00 0.00 179.25 177.98 2uwt h VAL 84 N 0.33 1.34 -0.49 0.00 2.07 -1.35 -1.74 116.25 116.40 2uwt h VAL 84 Ca 0.05 -2.44 0.09 0.00 0.82 0.00 0.00 66.70 65.22 2uwt h VAL 84 Cb 0.63 2.53 -0.08 0.00 -1.52 0.00 0.00 31.29 32.85 2uwt h VAL 84 CO 0.04 0.74 0.03 0.15 0.02 0.00 0.00 177.57 178.55 2uwt h PHE 85 N 0.28 0.03 -0.09 1.57 3.57 -0.79 -0.09 116.94 121.42 2uwt h PHE 85 Ca -0.13 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.22 2uwt h PHE 85 Cb 1.75 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 40.55 2uwt h PHE 85 CO 0.09 -0.08 -0.72 -0.07 -2.23 0.00 0.00 178.31 175.30 2uwt h LEU 86 N 0.15 0.53 -0.58 0.59 3.38 -1.38 -2.01 115.31 115.99 2uwt h LEU 86 Ca 0.25 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 2uwt h LEU 86 Cb 0.36 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2uwt h LEU 86 CO -0.38 1.08 0.05 -0.09 0.09 0.00 0.00 178.44 179.19 2uwt h ARG 87 N 0.31 0.99 -0.43 1.13 2.43 -0.85 -3.24 114.38 114.72 2uwt h ARG 87 Ca -0.03 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 2uwt h ARG 87 Cb 1.29 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2uwt h ARG 87 CO 0.13 0.96 0.00 -0.25 -1.51 0.00 0.00 179.97 179.29 2uwt n ASP 88 N -4.28 3.57 -0.21 -3.80 9.92 -0.09 -4.76 116.55 116.90 2uwt n ASP 88 Ca 0.03 -2.27 0.02 0.00 -0.53 0.00 0.00 54.79 52.03 2uwt n ASP 88 Cb 0.30 -0.38 0.12 0.00 -0.64 0.00 0.00 41.12 40.51 2uwt n ASP 88 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2uwt h LEU 89 N 2.63 -0.20 0.00 0.64 5.85 -1.38 0.13 115.31 122.97 2uwt h LEU 89 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2uwt h LEU 89 Cb 1.03 0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.31 2uwt h LEU 89 CO 0.08 -0.09 0.00 0.49 -0.34 0.00 0.00 178.44 178.58 2uwt n PHE 90 N -5.25 0.00 -0.03 1.25 3.72 -1.26 -3.47 117.46 112.42 2uwt n PHE 90 Ca 0.10 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.53 2uwt n PHE 90 Cb 0.37 -0.21 -0.14 0.00 -0.94 0.00 0.00 39.48 38.56 2uwt n PHE 90 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2uwt n PHE 91 N -1.21 0.00 -0.91 1.38 3.72 0.42 -1.76 117.46 119.10 2uwt n PHE 91 Ca 0.14 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.23 2uwt n PHE 91 Cb 0.17 -0.55 0.14 0.00 -0.94 0.00 0.00 39.48 38.31 2uwt n PHE 91 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2uwt s PHE 92 N -2.97 1.97 -0.30 1.38 0.08 -0.97 -4.85 117.98 112.32 2uwt s PHE 92 Ca -0.07 1.65 -0.13 0.00 0.12 0.00 0.00 56.93 58.51 2uwt s PHE 92 Cb 0.09 -3.22 0.14 0.00 -0.57 0.00 0.00 43.02 39.46 2uwt s PHE 92 CO 0.73 -2.50 0.80 0.45 -0.10 0.00 0.00 175.22 174.60 2uwt s SER 93 N -2.95 -0.88 -0.45 1.36 0.15 -1.26 -4.45 113.70 105.23 2uwt s SER 93 Ca 0.65 1.23 -0.23 0.00 0.70 0.00 0.00 55.95 58.30 2uwt s SER 93 Cb -0.21 1.92 0.03 0.00 -1.71 0.00 0.00 66.02 66.05 2uwt s SER 93 CO 0.58 -0.17 0.80 -0.22 1.20 0.00 0.00 173.24 175.42 2uwt s LEU 94 N 2.53 4.22 0.04 3.45 2.96 0.31 -4.94 118.68 127.25 2uwt s LEU 94 Ca -0.05 -0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 53.77 2uwt s LEU 94 Cb -0.09 -2.99 -0.04 0.00 0.50 0.00 0.00 46.19 43.57 2uwt s LEU 94 CO -0.18 -0.92 0.22 -1.61 -1.32 0.00 0.00 176.35 172.53 2uwt s GLU 95 N 3.33 3.46 0.85 1.98 0.41 -1.26 -0.69 118.70 126.79 2uwt s GLU 95 Ca 0.31 -0.34 -0.12 0.00 -0.41 0.00 0.00 54.97 54.41 2uwt s GLU 95 Cb -0.12 -3.05 0.10 0.00 -1.78 0.00 0.00 34.13 29.29 2uwt s GLU 95 CO 0.23 0.63 1.11 -1.25 -0.49 0.00 0.00 175.26 175.49 2uwt s PRO 96 N -2.26 1.61 0.80 0.39 0.04 -1.26 -4.18 135.00 130.14 2uwt s PRO 96 Ca 0.32 0.50 -0.15 0.00 0.04 0.00 0.00 61.00 61.72 2uwt s PRO 96 Cb -0.13 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.55 2uwt s PRO 96 CO 0.23 -1.92 0.69 -2.30 0.04 0.00 0.00 177.00 173.74 2uwt n PRO 97 N -3.61 0.15 -1.49 0.56 -0.02 -1.26 -4.60 135.00 124.72 2uwt n PRO 97 Ca 0.07 0.11 -0.33 0.00 -2.02 0.00 0.00 63.50 61.33 2uwt n PRO 97 Cb 0.57 -2.01 0.08 0.00 -0.02 0.00 0.00 33.50 32.13 2uwt n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2uwt s ALA 98 N -2.06 2.26 0.53 3.55 0.00 -1.26 -3.44 121.76 121.33 2uwt s ALA 98 Ca 0.66 0.57 0.31 0.00 0.00 0.00 0.00 51.96 53.50 2uwt s ALA 98 Cb -0.30 -3.36 1.46 0.00 0.00 0.00 0.00 23.12 20.92 2uwt s ALA 98 CO 0.58 -1.64 1.87 -1.35 0.00 0.00 0.00 175.76 175.23 2uwt h PRO 99 N -0.43 0.04 0.00 0.00 0.11 -1.93 -2.11 132.00 127.67 2uwt h PRO 99 Ca -0.46 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 2uwt h PRO 99 Cb 1.26 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 2uwt h PRO 99 CO 0.51 0.02 -0.10 0.93 -0.21 0.00 0.00 178.00 179.16 2uwt h GLU 100 N 0.04 0.00 -0.00 1.05 3.07 -1.99 -2.32 114.58 114.42 2uwt h GLU 100 Ca 0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.31 2uwt h GLU 100 Cb 1.74 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.65 2uwt h GLU 100 CO -0.02 0.10 -0.06 0.66 -1.40 0.00 0.00 179.01 178.29 2uwt n TYR 101 N -3.38 0.00 0.00 4.33 4.02 -0.79 -5.00 117.16 116.34 2uwt n TYR 101 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2uwt n TYR 101 Cb 0.28 -0.18 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 2uwt n TYR 101 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2uwt n GLY 102 N 1.24 3.44 1.38 2.72 0.00 -0.88 -1.69 105.19 111.40 2uwt n GLY 102 Ca 0.16 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.26 2uwt n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2uwt n LEU 103 N 0.00 4.39 -4.89 0.99 4.77 -1.22 -1.87 117.00 119.16 2uwt n LEU 103 Ca 0.00 -2.41 -0.30 0.00 -0.03 0.00 0.00 56.01 53.28 2uwt n LEU 103 Cb 0.00 -0.52 0.02 0.00 -2.33 0.00 0.00 43.42 40.58 2uwt n LEU 103 CO 0.00 0.81 0.64 -0.94 -1.33 0.00 0.00 177.39 176.57 2uwt s SER 104 N -1.03 6.03 -0.39 -1.43 1.04 -0.68 -4.96 113.70 112.27 2uwt s SER 104 Ca 0.47 1.18 0.07 0.00 0.48 0.00 0.00 55.95 58.15 2uwt s SER 104 Cb 0.30 -2.24 0.70 0.00 0.10 0.00 0.00 66.02 64.88 2uwt s SER 104 CO 0.23 -0.91 1.87 0.49 0.98 0.00 0.00 173.24 175.89 2uwt n PHE 105 N -2.67 2.78 0.89 5.02 3.01 -1.26 -4.56 117.46 120.67 2uwt n PHE 105 Ca 0.05 -1.56 0.11 0.00 1.01 0.00 0.00 57.45 57.05 2uwt n PHE 105 Cb 0.55 -0.83 0.08 0.00 -0.01 0.00 0.00 39.48 39.27 2uwt n PHE 105 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2uwt n ALA 106 N -0.71 2.57 -1.77 4.37 0.00 -1.26 -4.96 120.51 118.75 2uwt n ALA 106 Ca 0.51 -0.66 -0.39 0.00 0.00 0.00 0.00 53.44 52.90 2uwt n ALA 106 Cb 1.54 -0.72 -0.01 0.00 0.00 0.00 0.00 19.45 20.26 2uwt n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uwt s ALA 107 N -1.84 3.24 0.52 0.00 0.00 -1.26 -5.00 121.76 117.42 2uwt s ALA 107 Ca 0.24 1.13 -0.22 0.00 0.00 0.00 0.00 51.96 53.11 2uwt s ALA 107 Cb 0.18 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.80 2uwt s ALA 107 CO 0.29 -0.68 1.33 -2.14 0.00 0.00 0.00 175.76 174.55 2uwt s PRO 108 N -2.20 3.31 0.23 0.00 0.02 -1.26 -3.96 135.00 131.14 2uwt s PRO 108 Ca 0.56 2.16 -0.05 0.00 0.02 0.00 0.00 61.00 63.69 2uwt s PRO 108 Cb -0.35 -2.32 0.41 0.00 0.02 0.00 0.00 34.50 32.26 2uwt s PRO 108 CO 0.45 -1.03 1.23 1.28 -0.33 0.00 0.00 177.00 178.60 2uwt n LEU 109 N -0.85 -0.24 0.00 -5.54 4.77 -1.26 -0.27 117.00 113.61 2uwt n LEU 109 Ca 0.09 1.35 0.14 0.00 -0.03 0.00 0.00 56.01 57.56 2uwt n LEU 109 Cb 0.45 -0.43 0.68 0.00 -2.33 0.00 0.00 43.42 41.80 2uwt n LEU 109 CO 0.52 -1.31 0.97 0.29 -1.33 0.00 0.00 177.39 176.53 2uwt n LYS 110 N -5.25 0.30 -2.59 3.23 5.02 -1.26 -2.32 118.16 115.30 2uwt n LYS 110 Ca 0.14 0.02 -0.10 0.00 -2.02 0.00 0.00 58.31 56.35 2uwt n LYS 110 Cb 0.44 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.98 2uwt n LYS 110 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2uwt n GLU 111 N -1.34 2.17 0.00 1.97 1.02 0.63 -4.94 120.64 120.14 2uwt n GLU 111 Ca 0.12 -3.70 0.00 0.00 -0.02 0.00 0.00 57.16 53.56 2uwt n GLU 111 Cb 0.25 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 2uwt n GLU 111 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2uwt n GLY 112 N -0.48 1.01 0.21 0.62 0.00 -1.15 -4.20 105.19 101.21 2uwt n GLY 112 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.16 2uwt n GLY 112 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2uwt h GLY 113 N 0.00 0.75 1.60 -0.02 0.00 -1.43 -1.84 103.07 102.13 2uwt h GLY 113 Ca 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.04 2uwt h GLY 113 CO 0.00 0.17 -0.11 -2.00 0.00 0.00 0.00 176.54 174.60 2uwt h LEU 114 N 0.59 0.46 -0.51 3.11 5.85 -1.70 -2.14 115.31 120.98 2uwt h LEU 114 Ca 0.22 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 2uwt h LEU 114 Cb 0.06 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2uwt h LEU 114 CO -0.12 0.61 0.16 -0.25 -0.34 0.00 0.00 178.44 178.51 2uwt h TRP 115 N 0.45 0.81 -0.77 1.25 7.01 -1.59 -0.41 115.95 122.70 2uwt h TRP 115 Ca 0.09 -0.08 -0.05 0.00 2.11 0.00 0.00 58.89 60.95 2uwt h TRP 115 Cb 0.46 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 27.25 2uwt h TRP 115 CO 0.01 0.70 0.28 -0.07 -2.79 0.00 0.00 178.44 176.57 2uwt h LEU 116 N 0.69 1.09 -0.26 0.65 3.38 -1.08 0.71 115.31 120.48 2uwt h LEU 116 Ca 0.17 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2uwt h LEU 116 Cb 0.27 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2uwt h LEU 116 CO -0.01 0.98 -0.05 0.40 0.09 0.00 0.00 178.44 179.85 2uwt h ILE 117 N 1.13 1.28 -0.41 1.22 2.04 -1.14 0.12 117.51 121.76 2uwt h ILE 117 Ca 0.25 -1.05 0.04 0.00 1.00 0.00 0.00 64.86 65.10 2uwt h ILE 117 Cb 0.26 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 2uwt h ILE 117 CO -0.02 0.33 0.17 0.00 0.00 0.00 0.00 178.15 178.64 2uwt h ALA 118 N 0.78 0.50 -0.55 1.87 0.00 -0.86 -2.19 119.26 118.80 2uwt h ALA 118 Ca 0.07 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2uwt h ALA 118 Cb 0.52 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2uwt h ALA 118 CO 0.02 -0.20 0.33 0.77 0.00 0.00 0.00 179.25 180.17 2uwt h SER 119 N 0.36 0.66 -0.50 0.00 0.02 -0.65 -0.90 113.55 112.55 2uwt h SER 119 Ca 0.18 -0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.15 2uwt h SER 119 Cb 0.13 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.45 2uwt h SER 119 CO -0.16 0.53 0.17 0.15 -1.14 0.00 0.00 176.83 176.37 2uwt h PHE 120 N 0.74 0.29 -0.08 3.45 3.57 -0.50 0.52 116.94 124.93 2uwt h PHE 120 Ca 0.20 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 2uwt h PHE 120 Cb -0.02 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2uwt h PHE 120 CO -0.02 0.08 -0.27 0.74 -2.23 0.00 0.00 178.31 176.61 2uwt h PHE 121 N 0.34 0.16 -0.19 0.41 0.04 -0.82 -2.41 116.94 114.46 2uwt h PHE 121 Ca 0.24 -0.03 -0.17 0.00 2.80 0.00 0.00 57.97 60.81 2uwt h PHE 121 Cb 0.27 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.39 2uwt h PHE 121 CO -0.17 0.41 -0.56 1.98 -0.60 0.00 0.00 178.31 179.37 2uwt h MET 122 N 0.13 0.71 0.14 1.51 4.05 -0.02 -1.99 114.93 119.45 2uwt h MET 122 Ca 0.02 -0.51 0.02 0.00 -0.28 0.00 0.00 59.70 58.94 2uwt h MET 122 Cb 0.56 0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.41 2uwt h MET 122 CO 0.04 1.13 -0.31 0.35 0.23 0.00 0.00 176.91 178.35 2uwt h PHE 123 N 0.42 -0.85 -0.09 1.39 3.57 -0.67 -0.31 116.94 120.39 2uwt h PHE 123 Ca -0.02 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 2uwt h PHE 123 Cb 1.18 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 40.26 2uwt h PHE 123 CO 0.09 -0.42 -0.31 -0.39 -2.23 0.00 0.00 178.31 175.04 2uwt h VAL 124 N -0.55 1.26 -0.33 1.41 -1.51 -1.50 -2.04 116.25 112.99 2uwt h VAL 124 Ca 0.03 -1.23 -0.02 0.00 -1.23 0.00 0.00 66.70 64.24 2uwt h VAL 124 Cb 0.57 1.54 -0.01 0.00 -2.13 0.00 0.00 31.29 31.25 2uwt h VAL 124 CO -0.17 0.37 0.13 0.00 -1.23 0.00 0.00 177.57 176.67 2uwt h ALA 125 N 1.52 0.43 -0.02 5.19 0.00 -0.83 -1.78 119.26 123.78 2uwt h ALA 125 Ca 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2uwt h ALA 125 Cb 0.64 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2uwt h ALA 125 CO 0.05 0.03 -0.03 0.28 0.00 0.00 0.00 179.25 179.58 2uwt h VAL 126 N 0.39 1.46 -0.57 0.00 2.07 -0.95 -1.65 116.25 116.99 2uwt h VAL 126 Ca 0.11 -1.40 -0.04 0.00 0.82 0.00 0.00 66.70 66.19 2uwt h VAL 126 Cb 0.18 2.36 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 2uwt h VAL 126 CO -0.01 0.37 0.19 -0.50 0.02 0.00 0.00 177.57 177.64 2uwt h TRP 127 N -0.51 0.92 0.00 1.57 4.06 -1.44 0.22 115.95 120.76 2uwt h TRP 127 Ca 0.00 -0.09 -0.07 0.00 2.06 0.00 0.00 58.89 60.79 2uwt h TRP 127 Cb 0.62 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.50 2uwt h TRP 127 CO 0.13 0.76 -0.34 0.66 -3.56 0.00 0.00 178.44 176.09 2uwt h SER 128 N 0.80 0.00 0.25 -3.49 4.64 -1.40 0.40 113.55 114.75 2uwt h SER 128 Ca 0.19 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.35 2uwt h SER 128 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2uwt h SER 128 CO -0.01 0.34 -0.61 -0.25 -0.87 0.00 0.00 176.83 175.44 2uwt h TRP 129 N 0.00 0.46 -0.24 4.77 2.91 -0.53 -2.31 115.95 121.01 2uwt h TRP 129 Ca -0.00 -0.18 -0.03 0.00 1.13 0.00 0.00 58.89 59.81 2uwt h TRP 129 Cb 0.84 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 29.40 2uwt h TRP 129 CO 0.00 0.87 0.04 2.35 -1.03 0.00 0.00 178.44 180.67 2uwt h TRP 130 N 0.27 0.42 -0.92 2.65 7.01 0.33 -2.38 115.95 123.33 2uwt h TRP 130 Ca -0.01 -0.06 0.19 0.00 2.11 0.00 0.00 58.89 61.13 2uwt h TRP 130 Cb 1.13 -0.12 -0.11 0.00 -2.10 0.00 0.00 29.16 27.97 2uwt h TRP 130 CO 0.03 0.52 0.49 0.78 -2.79 0.00 0.00 178.44 177.47 2uwt h GLY 131 N 0.20 1.60 1.04 2.65 0.00 -0.87 -1.02 103.07 106.68 2uwt h GLY 131 Ca 0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 2uwt h GLY 131 CO 0.00 -0.14 0.40 -0.09 0.00 0.00 0.00 176.54 176.72 2uwt h ARG 132 N 0.59 1.23 -0.25 4.80 2.43 -1.03 -0.79 114.38 121.36 2uwt h ARG 132 Ca 0.55 -0.19 -0.09 0.00 -0.81 0.00 0.00 59.98 59.44 2uwt h ARG 132 Cb 0.91 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 2uwt h ARG 132 CO -0.43 0.95 -0.21 1.79 -1.51 0.00 0.00 179.97 180.56 2uwt h THR 133 N 1.22 1.25 0.25 0.20 1.35 -0.69 -0.81 112.91 115.68 2uwt h THR 133 Ca 0.29 -1.17 -0.01 0.00 -0.55 0.00 0.00 66.41 64.97 2uwt h THR 133 Cb 0.13 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 2uwt h THR 133 CO -0.04 0.37 -0.12 0.22 -0.25 0.00 0.00 175.52 175.71 2uwt h TYR 134 N 0.41 -0.31 -0.38 4.73 5.03 -1.18 -3.15 116.97 122.12 2uwt h TYR 134 Ca 0.07 -0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.28 2uwt h TYR 134 Cb 0.60 0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.97 2uwt h TYR 134 CO 0.02 -0.00 -0.14 -0.07 -1.32 0.00 0.00 178.16 176.65 2uwt h LEU 135 N -0.64 0.67 -0.94 2.82 3.38 -0.96 -0.17 115.31 119.47 2uwt h LEU 135 Ca -0.03 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 2uwt h LEU 135 Cb 0.45 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2uwt h LEU 135 CO 0.06 0.83 -0.40 0.03 0.09 0.00 0.00 178.44 179.04 2uwt h ARG 136 N 0.62 0.26 -0.07 1.13 2.47 -1.27 -0.97 114.38 116.54 2uwt h ARG 136 Ca 0.10 -0.12 -0.04 0.00 -1.26 0.00 0.00 59.98 58.67 2uwt h ARG 136 Cb 0.59 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.90 2uwt h ARG 136 CO 0.04 0.62 -0.10 0.00 0.56 0.00 0.00 179.97 181.09 2uwt h ALA 137 N 1.37 0.11 -0.39 0.04 0.00 -1.38 -3.21 119.26 115.80 2uwt h ALA 137 Ca 0.02 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 54.70 2uwt h ALA 137 Cb 0.81 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.49 2uwt h ALA 137 CO 0.06 -0.04 -0.23 0.37 0.00 0.00 0.00 179.25 179.41 2uwt h GLN 138 N -0.27 -0.16 0.00 0.00 4.15 -0.94 -0.71 115.11 117.17 2uwt h GLN 138 Ca 0.01 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 2uwt h GLN 138 Cb 0.65 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.38 2uwt h GLN 138 CO 0.02 -0.11 -0.04 0.00 -1.93 0.00 0.00 178.83 176.78 2uwt h ALA 139 N 1.03 1.30 -0.05 3.38 0.00 -1.26 0.30 119.26 123.97 2uwt h ALA 139 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2uwt h ALA 139 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2uwt h ALA 139 CO -0.49 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.09 2uwt n LEU 140 N -3.57 2.56 -0.07 0.00 4.77 -0.69 -1.36 117.00 118.63 2uwt n LEU 140 Ca -0.02 -0.87 -0.01 0.00 -0.03 0.00 0.00 56.01 55.07 2uwt n LEU 140 Cb 0.14 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2uwt n LEU 140 CO 0.27 0.44 -0.01 0.61 -1.33 0.00 0.00 177.39 177.36 2uwt n GLY 141 N 1.30 0.46 3.88 -0.72 0.00 0.10 -4.94 105.19 105.28 2uwt n GLY 141 Ca 0.16 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2uwt n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2uwt s MET 142 N -0.85 3.65 1.05 1.61 -1.94 -0.36 -4.99 119.30 117.48 2uwt s MET 142 Ca 0.00 0.57 -0.13 0.00 -1.71 0.00 0.00 55.69 54.42 2uwt s MET 142 Cb 0.00 -2.22 0.18 0.00 2.01 0.00 0.00 34.83 34.80 2uwt s MET 142 CO 0.00 -0.34 0.82 0.41 -0.01 0.00 0.00 175.02 175.90 2uwt n GLY 143 N -2.25 -1.55 1.84 -0.03 0.00 -1.26 -4.38 105.19 97.57 2uwt n GLY 143 Ca 0.04 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2uwt n GLY 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2uwt n LYS 144 N -3.83 4.04 -0.21 1.61 4.76 -1.26 -4.64 118.16 118.64 2uwt n LYS 144 Ca 0.06 -2.83 0.02 0.00 -2.87 0.00 0.00 58.31 52.68 2uwt n LYS 144 Cb 0.54 -2.17 0.27 0.00 -1.84 0.00 0.00 35.03 31.83 2uwt n LYS 144 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2uwt h HIS 145 N 3.05 0.91 0.10 2.13 3.86 -1.97 -1.24 115.15 122.00 2uwt h HIS 145 Ca 0.12 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 2uwt h HIS 145 Cb 2.03 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 30.20 2uwt h HIS 145 CO 1.10 0.56 -0.05 1.15 0.86 0.00 0.00 177.93 181.54 2uwt h THR 146 N 0.97 0.99 -0.75 2.45 2.02 -1.92 0.21 112.91 116.87 2uwt h THR 146 Ca 0.28 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 2uwt h THR 146 Cb -0.05 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 2uwt h THR 146 CO -0.07 0.08 0.40 0.00 0.37 0.00 0.00 175.52 176.30 2uwt h ALA 147 N 0.59 1.29 -0.74 6.16 0.00 -1.70 0.10 119.26 124.96 2uwt h ALA 147 Ca -0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2uwt h ALA 147 Cb 0.24 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2uwt h ALA 147 CO 0.02 0.57 0.30 -1.49 0.00 0.00 0.00 179.25 178.65 2uwt h TRP 148 N 1.05 1.12 -0.27 0.00 -0.00 -0.95 -1.89 115.95 115.01 2uwt h TRP 148 Ca 0.26 -0.08 -0.13 0.00 -0.00 0.00 0.00 58.89 58.94 2uwt h TRP 148 Cb 0.04 -0.34 -0.00 0.00 -0.00 0.00 0.00 29.16 28.86 2uwt h TRP 148 CO 0.01 0.86 -0.33 0.00 -0.00 0.00 0.00 178.44 178.97 2uwt h ALA 149 N 1.15 0.40 -0.62 1.49 0.00 -0.35 -2.98 119.26 118.35 2uwt h ALA 149 Ca 0.25 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.80 2uwt h ALA 149 Cb 0.21 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2uwt h ALA 149 CO -0.02 0.46 0.41 0.35 0.00 0.00 0.00 179.25 180.45 2uwt h PHE 150 N 0.44 0.60 0.00 0.00 3.57 -0.74 -1.07 116.94 119.74 2uwt h PHE 150 Ca 0.03 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 2uwt h PHE 150 Cb 0.92 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 2uwt h PHE 150 CO 0.08 0.32 -0.10 1.25 -2.23 0.00 0.00 178.31 177.63 2uwt h LEU 151 N 0.59 0.00 -0.08 0.59 5.85 -1.18 0.13 115.31 121.22 2uwt h LEU 151 Ca 0.27 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.82 2uwt h LEU 151 Cb 0.30 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.34 2uwt h LEU 151 CO -0.08 0.10 -0.62 -1.28 -0.34 0.00 0.00 178.44 176.21 2uwt h SER 152 N 0.00 0.68 -0.30 1.25 0.87 -1.22 -1.07 113.55 113.76 2uwt h SER 152 Ca -0.00 -0.68 0.01 0.00 -1.23 0.00 0.00 61.79 59.89 2uwt h SER 152 Cb 0.20 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2uwt h SER 152 CO 0.01 1.25 0.17 0.00 -0.53 0.00 0.00 176.83 177.74 2uwt h ALA 153 N 0.44 0.38 -0.60 6.23 0.00 -1.37 -2.92 119.26 121.43 2uwt h ALA 153 Ca -0.06 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.92 2uwt h ALA 153 Cb 1.28 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2uwt h ALA 153 CO 0.13 -0.19 0.40 0.82 0.00 0.00 0.00 179.25 180.40 2uwt h ILE 154 N 0.36 0.96 0.02 0.00 2.04 -0.88 -2.08 117.51 117.94 2uwt h ILE 154 Ca 0.12 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.81 2uwt h ILE 154 Cb 0.00 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 2uwt h ILE 154 CO -0.06 0.09 -0.07 -0.25 0.00 0.00 0.00 178.15 177.86 2uwt h TRP 155 N 0.52 -0.19 -0.53 1.37 2.91 -0.99 0.13 115.95 119.18 2uwt h TRP 155 Ca 0.27 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.28 2uwt h TRP 155 Cb 0.38 0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 29.08 2uwt h TRP 155 CO -0.00 -0.11 0.30 1.25 -1.03 0.00 0.00 178.44 178.85 2uwt h LEU 156 N -0.14 0.65 0.16 0.65 5.85 -1.40 -0.59 115.31 120.49 2uwt h LEU 156 Ca 0.02 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.67 2uwt h LEU 156 Cb 0.16 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2uwt h LEU 156 CO -0.06 0.54 -0.18 -0.25 -0.34 0.00 0.00 178.44 178.16 2uwt h TRP 157 N 0.71 -0.47 -0.85 1.25 7.01 -1.21 -1.12 115.95 121.27 2uwt h TRP 157 Ca 0.19 0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.25 2uwt h TRP 157 Cb 0.03 0.19 -0.06 0.00 -2.10 0.00 0.00 29.16 27.22 2uwt h TRP 157 CO -0.02 -0.27 0.53 0.52 -2.79 0.00 0.00 178.44 176.41 2uwt h MET 158 N -0.38 0.95 0.04 2.65 2.86 -0.62 -1.85 114.93 118.58 2uwt h MET 158 Ca 0.01 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2uwt h MET 158 Cb 0.37 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 2uwt h MET 158 CO -0.06 0.63 -0.04 0.28 1.06 0.00 0.00 176.91 178.78 2uwt h VAL 159 N 0.98 0.92 -0.48 -2.22 2.07 -0.75 0.29 116.25 117.05 2uwt h VAL 159 Ca 0.37 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.85 2uwt h VAL 159 Cb 0.14 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2uwt h VAL 159 CO -0.16 0.00 0.17 -0.07 0.02 0.00 0.00 177.57 177.53 2uwt h LEU 160 N -0.08 0.68 0.00 2.57 3.38 -0.69 -0.06 115.31 121.11 2uwt h LEU 160 Ca 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2uwt h LEU 160 Cb 0.08 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2uwt h LEU 160 CO -0.01 0.68 -1.43 0.61 0.09 0.00 0.00 178.44 178.39 2uwt n GLY 161 N -0.73 -1.00 1.94 0.83 0.00 -0.74 -4.25 105.19 101.23 2uwt n GLY 161 Ca 0.01 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2uwt n GLY 161 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2uwt n PHE 162 N -1.83 -0.60 -0.03 1.61 7.35 -0.43 -4.79 117.46 118.74 2uwt n PHE 162 Ca 0.01 0.11 -0.11 0.00 -0.76 0.00 0.00 57.45 56.69 2uwt n PHE 162 Cb 0.43 0.49 -0.05 0.00 0.35 0.00 0.00 39.48 40.71 2uwt n PHE 162 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2uwt h ILE 163 N 0.00 1.08 -0.12 -2.13 2.04 -0.57 -1.26 117.51 116.55 2uwt h ILE 163 Ca 0.00 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 2uwt h ILE 163 Cb 0.00 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2uwt h ILE 163 CO 0.00 0.07 -0.02 -0.09 0.00 0.00 0.00 178.15 178.11 2uwt h ARG 164 N 0.16 0.22 -0.92 2.37 2.43 -1.19 -1.01 114.38 116.44 2uwt h ARG 164 Ca 0.05 -0.08 0.16 0.00 -0.81 0.00 0.00 59.98 59.30 2uwt h ARG 164 Cb 0.04 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.48 2uwt h ARG 164 CO -0.01 0.52 0.52 -1.35 -1.51 0.00 0.00 179.97 178.13 2uwt h PRO 165 N -0.09 0.68 -0.21 0.20 0.11 -1.74 0.21 132.00 131.15 2uwt h PRO 165 Ca 0.03 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.05 2uwt h PRO 165 Cb 0.43 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 2uwt h PRO 165 CO 0.01 0.45 -0.05 0.82 -0.21 0.00 0.00 178.00 179.01 2uwt h ILE 166 N 0.70 1.29 -0.36 4.15 2.04 -0.94 -1.46 117.51 122.92 2uwt h ILE 166 Ca 0.51 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 2uwt h ILE 166 Cb 0.75 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 2uwt h ILE 166 CO -0.37 0.32 0.09 -0.07 0.00 0.00 0.00 178.15 178.12 2uwt h LEU 167 N 0.13 0.48 -0.30 1.44 3.38 -0.65 -2.46 115.31 117.34 2uwt h LEU 167 Ca 0.05 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2uwt h LEU 167 Cb 0.51 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2uwt h LEU 167 CO 0.02 0.49 0.00 0.24 0.09 0.00 0.00 178.44 179.28 2uwt h MET 168 N 0.52 0.00 0.00 1.13 2.86 -0.36 -3.48 114.93 115.61 2uwt h MET 168 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2uwt h MET 168 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2uwt h MET 168 CO -0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 2uwt n GLY 169 N 0.89 0.84 3.58 8.32 0.00 -0.61 -5.07 105.19 113.14 2uwt n GLY 169 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 2uwt n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2uwt s SER 170 N -2.26 -0.64 0.34 1.61 1.04 -0.85 -3.45 113.70 109.50 2uwt s SER 170 Ca 0.00 0.95 0.25 0.00 0.48 0.00 0.00 55.95 57.62 2uwt s SER 170 Cb 0.00 0.86 1.20 0.00 0.10 0.00 0.00 66.02 68.18 2uwt s SER 170 CO 0.00 -0.41 1.76 -0.50 0.98 0.00 0.00 173.24 175.07 2uwt h TRP 171 N 3.75 0.00 0.00 5.02 -0.00 -1.61 -3.09 115.95 120.02 2uwt h TRP 171 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.62 2uwt h TRP 171 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.31 2uwt h TRP 171 CO 0.37 0.00 0.00 -1.13 -0.00 0.00 0.00 178.44 177.68 2uwt n SER 172 N -2.37 0.47 0.21 -3.49 3.41 -1.22 -1.86 113.62 108.77 2uwt n SER 172 Ca 0.00 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.33 2uwt n SER 172 Cb 0.14 -0.72 0.15 0.00 -0.26 0.00 0.00 64.21 63.51 2uwt n SER 172 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2uwt h GLU 173 N 0.00 0.00 -7.37 4.33 4.39 -1.86 -3.47 114.58 110.61 2uwt h GLU 173 Ca 0.00 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 59.26 2uwt h GLU 173 Cb 0.33 0.00 0.17 0.00 -0.10 0.00 0.00 28.75 29.15 2uwt h GLU 173 CO 0.00 0.08 0.17 0.00 -1.16 0.00 0.00 179.01 178.10 2uwt s ALA 174 N -3.17 0.79 0.07 3.43 0.00 -0.78 -4.88 121.76 117.23 2uwt s ALA 174 Ca 0.06 -0.52 -0.22 0.00 0.00 0.00 0.00 51.96 51.28 2uwt s ALA 174 Cb 0.05 -3.06 -0.06 0.00 0.00 0.00 0.00 23.12 20.05 2uwt s ALA 174 CO 0.68 -3.07 0.66 0.08 0.00 0.00 0.00 175.76 174.11 2uwt s VAL 175 N -2.97 4.68 0.54 0.00 1.01 -1.26 -4.88 120.40 117.52 2uwt s VAL 175 Ca 0.67 1.42 -0.17 0.00 0.00 0.00 0.00 61.98 63.90 2uwt s VAL 175 Cb -0.17 -4.01 -0.06 0.00 0.00 0.00 0.00 36.38 32.14 2uwt s VAL 175 CO 0.57 0.48 1.03 -2.16 0.00 0.00 0.00 175.10 175.02 2uwt s PRO 176 N -0.71 3.64 -0.58 2.72 0.04 -1.26 -4.82 135.00 134.02 2uwt s PRO 176 Ca 0.33 1.19 -0.23 0.00 0.04 0.00 0.00 61.00 62.33 2uwt s PRO 176 Cb -0.20 -2.08 0.05 0.00 0.04 0.00 0.00 34.50 32.31 2uwt s PRO 176 CO 0.21 -0.55 0.92 0.71 0.04 0.00 0.00 177.00 178.33 2uwt s TYR 177 N -2.34 2.78 -0.28 0.56 1.51 0.14 -4.47 117.35 115.24 2uwt s TYR 177 Ca 0.64 -0.24 -0.27 0.00 -1.01 0.00 0.00 57.07 56.19 2uwt s TYR 177 Cb -0.14 -4.09 0.19 0.00 -0.11 0.00 0.00 41.96 37.80 2uwt s TYR 177 CO 0.30 -1.42 1.36 0.20 -1.11 0.00 0.00 175.55 174.87 2uwt s GLY 178 N 3.10 0.17 0.04 0.71 0.00 -1.26 -0.53 107.32 109.54 2uwt s GLY 178 Ca 0.26 3.07 -0.16 0.00 0.00 0.00 0.00 44.72 47.89 2uwt s GLY 178 CO 0.16 1.47 1.25 -2.22 0.00 0.00 0.00 173.10 173.75 2uwt h ILE 179 N 2.56 0.00 -0.14 0.90 1.08 -1.78 -2.01 117.51 118.12 2uwt h ILE 179 Ca -0.17 0.00 -0.17 0.00 -0.39 0.00 0.00 64.86 64.12 2uwt h ILE 179 Cb 1.19 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.93 2uwt h ILE 179 CO 0.21 0.00 -0.64 -0.26 -0.69 0.00 0.00 178.15 176.77 2uwt h PHE 180 N -0.48 0.65 -0.21 1.37 0.04 -1.65 -3.24 116.94 113.42 2uwt h PHE 180 Ca -0.03 -0.26 -0.06 0.00 2.80 0.00 0.00 57.97 60.42 2uwt h PHE 180 Cb 0.40 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 2uwt h PHE 180 CO -0.10 1.00 -0.13 0.66 -0.60 0.00 0.00 178.31 179.15 2uwt h SER 181 N 0.37 0.33 -0.26 2.17 4.64 -1.78 -1.25 113.55 117.77 2uwt h SER 181 Ca -0.01 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.15 2uwt h SER 181 Cb 1.20 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 2uwt h SER 181 CO 0.12 0.49 -0.11 1.12 -0.87 0.00 0.00 176.83 177.58 2uwt h HIS 182 N 0.33 0.73 -0.23 4.77 2.07 -1.39 0.43 115.15 121.86 2uwt h HIS 182 Ca 0.06 -0.12 -0.05 0.00 -2.85 0.00 0.00 60.37 57.42 2uwt h HIS 182 Cb 0.43 -0.19 -0.01 0.00 2.57 0.00 0.00 27.41 30.21 2uwt h HIS 182 CO 0.01 0.75 -0.04 -0.07 -3.07 0.00 0.00 177.93 175.51 2uwt h LEU 183 N 0.61 0.43 -0.58 6.12 3.38 -1.49 -1.30 115.31 122.47 2uwt h LEU 183 Ca 0.11 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.75 2uwt h LEU 183 Cb 0.54 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 2uwt h LEU 183 CO 0.03 0.67 0.37 0.44 0.09 0.00 0.00 178.44 180.04 2uwt h ASP 184 N 0.17 0.61 -0.74 -0.43 3.32 -1.00 -0.55 116.42 117.79 2uwt h ASP 184 Ca 0.06 -0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.22 2uwt h ASP 184 Cb 0.48 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 39.81 2uwt h ASP 184 CO 0.02 0.43 0.34 -0.25 -1.72 0.00 0.00 179.24 178.06 2uwt h TRP 185 N 0.73 0.60 -0.11 4.55 7.01 -0.80 0.46 115.95 128.39 2uwt h TRP 185 Ca 0.23 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.24 2uwt h TRP 185 Cb -0.01 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 26.89 2uwt h TRP 185 CO -0.05 0.16 0.00 1.15 -2.79 0.00 0.00 178.44 176.92 2uwt h THR 186 N 0.54 1.25 -0.64 2.65 2.02 -0.31 0.30 112.91 118.72 2uwt h THR 186 Ca 0.38 -0.79 0.03 0.00 0.77 0.00 0.00 66.41 66.81 2uwt h THR 186 Cb 0.49 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.41 2uwt h THR 186 CO -0.32 0.23 0.39 -1.13 0.37 0.00 0.00 175.52 175.05 2uwt h ASN 187 N -0.08 0.62 -0.37 4.18 -0.00 -0.93 -2.86 115.58 116.14 2uwt h ASN 187 Ca 0.03 0.01 -0.14 0.00 -0.00 0.00 0.00 56.30 56.20 2uwt h ASN 187 Cb 0.34 -0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 38.53 2uwt h ASN 187 CO 0.00 0.43 -0.28 -1.13 -0.00 0.00 0.00 177.43 176.45 2uwt h ASN 188 N 0.75 0.92 -0.70 1.15 -0.73 -0.60 -2.24 115.58 114.14 2uwt h ASN 188 Ca 0.26 -0.37 0.09 0.00 1.87 0.00 0.00 56.30 58.16 2uwt h ASN 188 Cb 0.05 -0.26 -0.07 0.00 0.27 0.00 0.00 38.32 38.32 2uwt h ASN 188 CO -0.12 1.14 0.34 0.15 -0.37 0.00 0.00 177.43 178.57 2uwt h PHE 189 N 0.76 0.60 0.12 0.67 3.04 -0.80 0.34 116.94 121.66 2uwt h PHE 189 Ca 0.09 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 2uwt h PHE 189 Cb 0.84 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 39.19 2uwt h PHE 189 CO 0.05 0.21 -0.06 1.03 -2.02 0.00 0.00 178.31 177.52 2uwt h SER 190 N 0.57 -0.13 -0.60 0.41 0.87 -1.28 -2.22 113.55 111.18 2uwt h SER 190 Ca 0.34 -0.19 0.09 0.00 -1.23 0.00 0.00 61.79 60.81 2uwt h SER 190 Cb 0.37 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.30 2uwt h SER 190 CO -0.27 0.11 0.23 -0.07 -0.53 0.00 0.00 176.83 176.29 2uwt h LEU 191 N -0.38 0.23 -1.20 2.23 4.07 -1.05 0.17 115.31 119.38 2uwt h LEU 191 Ca -0.02 0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.00 2uwt h LEU 191 Cb 0.31 0.05 -0.00 0.00 1.08 0.00 0.00 40.66 42.10 2uwt h LEU 191 CO 0.03 0.14 -0.09 0.58 -1.08 0.00 0.00 178.44 178.01 2uwt h VAL 192 N 0.41 0.23 -0.40 1.22 2.07 -0.93 -3.02 116.25 115.84 2uwt h VAL 192 Ca 0.30 -0.81 -0.10 0.00 0.82 0.00 0.00 66.70 66.92 2uwt h VAL 192 Cb 0.36 1.66 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 2uwt h VAL 192 CO -0.29 0.09 0.05 1.41 0.02 0.00 0.00 177.57 178.85 2uwt n HIS 193 N -3.22 1.35 -2.04 1.57 8.25 -0.77 -4.86 115.22 115.51 2uwt n HIS 193 Ca 0.01 -1.13 -0.07 0.00 -0.26 0.00 0.00 57.72 56.26 2uwt n HIS 193 Cb 0.37 -0.45 -0.01 0.00 1.12 0.00 0.00 29.99 31.03 2uwt n HIS 193 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2uwt n GLY 194 N -0.57 0.16 1.06 -1.41 0.00 -0.96 -0.75 105.19 102.71 2uwt n GLY 194 Ca 0.29 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2uwt n GLY 194 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2uwt n ASN 195 N 0.60 -1.64 0.21 1.61 2.85 0.54 -3.40 115.26 116.04 2uwt n ASN 195 Ca -0.09 0.00 0.16 0.00 -0.11 0.00 0.00 54.58 54.55 2uwt n ASN 195 Cb 0.53 -0.82 0.82 0.00 1.24 0.00 0.00 39.78 41.55 2uwt n ASN 195 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2uwt h LEU 196 N 0.00 0.00 -0.85 1.20 3.38 -1.83 0.04 115.31 117.25 2uwt h LEU 196 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2uwt h LEU 196 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2uwt h LEU 196 CO 0.00 0.00 0.24 0.49 0.09 0.00 0.00 178.44 179.26 2uwt n PHE 197 N -3.91 0.43 0.45 1.13 3.72 -1.26 0.41 117.46 118.42 2uwt n PHE 197 Ca 0.01 0.23 0.09 0.00 -0.05 0.00 0.00 57.45 57.73 2uwt n PHE 197 Cb 0.28 -0.70 0.13 0.00 -0.94 0.00 0.00 39.48 38.26 2uwt n PHE 197 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2uwt n TYR 198 N -1.99 0.24 -3.08 1.38 4.01 0.00 -4.83 117.16 112.89 2uwt n TYR 198 Ca -0.01 -0.15 -0.42 0.00 -0.16 0.00 0.00 57.90 57.16 2uwt n TYR 198 Cb 0.26 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.22 2uwt n TYR 198 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2uwt s ASN 199 N -1.38 6.40 0.47 7.72 3.04 0.17 -4.71 114.94 126.65 2uwt s ASN 199 Ca 0.27 -0.01 0.13 0.00 0.04 0.00 0.00 52.86 53.29 2uwt s ASN 199 Cb 0.17 -2.34 1.08 0.00 -1.54 0.00 0.00 41.25 38.62 2uwt s ASN 199 CO 0.24 -0.70 2.07 1.55 -3.04 0.00 0.00 177.10 177.22 2uwt h PRO 200 N 8.65 0.14 -0.03 0.43 0.13 -1.88 0.20 132.00 139.64 2uwt h PRO 200 Ca -0.26 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.78 2uwt h PRO 200 Cb 1.10 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 2uwt h PRO 200 CO 0.88 0.15 -0.36 0.74 -0.23 0.00 0.00 178.00 179.18 2uwt h PHE 201 N 0.14 0.06 -0.44 1.56 0.04 -1.92 -1.26 116.94 115.12 2uwt h PHE 201 Ca 0.04 -0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.70 2uwt h PHE 201 Cb 0.09 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 2uwt h PHE 201 CO 0.00 0.40 -0.10 1.25 -0.60 0.00 0.00 178.31 179.26 2uwt h HIS 202 N 0.05 0.95 -0.34 -0.55 2.76 -1.24 -1.31 115.15 115.46 2uwt h HIS 202 Ca 0.00 -0.20 -0.08 0.00 -2.20 0.00 0.00 60.37 57.89 2uwt h HIS 202 Cb 0.65 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.37 2uwt h HIS 202 CO 0.00 0.95 -0.14 0.78 -1.30 0.00 0.00 177.93 178.22 2uwt h GLY 203 N 0.67 0.65 0.85 5.26 0.00 -1.17 -1.33 103.07 108.00 2uwt h GLY 203 Ca 0.11 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 2uwt h GLY 203 CO 0.04 0.44 -0.11 1.41 0.00 0.00 0.00 176.54 178.32 2uwt h LEU 204 N 0.55 0.52 -0.91 3.11 4.07 -1.16 -1.06 115.31 120.44 2uwt h LEU 204 Ca 0.09 -0.41 0.05 0.00 0.08 0.00 0.00 57.88 57.70 2uwt h LEU 204 Cb 0.56 -0.14 -0.06 0.00 1.08 0.00 0.00 40.66 42.09 2uwt h LEU 204 CO 0.04 0.81 0.58 -1.28 -1.08 0.00 0.00 178.44 177.50 2uwt h SER 205 N 0.22 0.93 -0.21 -0.43 0.87 -0.95 0.01 113.55 114.00 2uwt h SER 205 Ca 0.05 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 2uwt h SER 205 Cb 0.61 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 2uwt h SER 205 CO 0.03 0.62 0.04 0.40 -0.53 0.00 0.00 176.83 177.39 2uwt h ILE 206 N 1.08 1.22 -0.66 2.23 2.04 -1.02 -0.12 117.51 122.29 2uwt h ILE 206 Ca 0.38 -0.74 0.14 0.00 1.00 0.00 0.00 64.86 65.64 2uwt h ILE 206 Cb 0.10 1.31 -0.11 0.00 -0.74 0.00 0.00 36.82 37.38 2uwt h ILE 206 CO -0.15 0.23 0.02 0.00 0.00 0.00 0.00 178.15 178.25 2uwt h ALA 207 N 0.84 0.68 -0.38 1.87 0.00 -0.34 0.39 119.26 122.32 2uwt h ALA 207 Ca 0.06 0.20 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 2uwt h ALA 207 Cb 0.32 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2uwt h ALA 207 CO 0.00 -0.39 -0.31 0.74 0.00 0.00 0.00 179.25 179.30 2uwt h PHE 208 N 0.13 0.97 -0.18 0.00 0.04 -0.86 0.26 116.94 117.30 2uwt h PHE 208 Ca 0.35 -0.25 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 2uwt h PHE 208 Cb 0.58 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 2uwt h PHE 208 CO -0.36 1.03 0.04 1.25 -0.60 0.00 0.00 178.31 179.66 2uwt h LEU 209 N 0.70 0.27 -0.72 1.54 5.85 -0.00 0.67 115.31 123.61 2uwt h LEU 209 Ca 0.08 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 2uwt h LEU 209 Cb 0.85 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 2uwt h LEU 209 CO 0.07 0.44 0.32 1.88 -0.34 0.00 0.00 178.44 180.81 2uwt h TYR 210 N 0.09 1.07 -0.47 1.25 0.05 -0.26 -2.75 116.97 115.94 2uwt h TYR 210 Ca 0.05 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 2uwt h TYR 210 Cb 0.28 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 2uwt h TYR 210 CO 0.01 0.81 0.23 0.78 -1.05 0.00 0.00 178.16 178.94 2uwt h GLY 211 N 1.02 0.70 1.41 3.88 0.00 0.09 0.10 103.07 110.27 2uwt h GLY 211 Ca 0.24 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 2uwt h GLY 211 CO -0.03 0.30 -0.04 1.76 0.00 0.00 0.00 176.54 178.54 2uwt h SER 212 N 0.66 0.69 -0.03 0.19 0.02 0.62 0.18 113.55 115.87 2uwt h SER 212 Ca 0.17 -0.17 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 2uwt h SER 212 Cb 0.07 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.43 2uwt h SER 212 CO -0.02 0.78 -0.52 0.00 -1.14 0.00 0.00 176.83 175.93 2uwt h ALA 213 N 1.29 0.11 -0.43 3.77 0.00 -0.89 -0.59 119.26 122.52 2uwt h ALA 213 Ca 0.13 -0.53 0.09 0.00 0.00 0.00 0.00 54.91 54.59 2uwt h ALA 213 Cb 0.47 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.18 2uwt h ALA 213 CO 0.02 0.32 -0.21 1.25 0.00 0.00 0.00 179.25 180.63 2uwt h LEU 214 N -0.09 -0.73 -0.22 0.00 5.85 -0.78 0.25 115.31 119.59 2uwt h LEU 214 Ca -0.06 0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 2uwt h LEU 214 Cb 1.21 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 2uwt h LEU 214 CO 0.10 -0.24 -0.05 0.25 -0.34 0.00 0.00 178.44 178.16 2uwt h LEU 215 N -0.13 0.43 -0.78 2.25 5.85 -0.57 0.11 115.31 122.47 2uwt h LEU 215 Ca 0.21 -0.36 -0.13 0.00 0.84 0.00 0.00 57.88 58.44 2uwt h LEU 215 Cb 0.45 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2uwt h LEU 215 CO -0.51 0.69 -0.46 0.15 -0.34 0.00 0.00 178.44 177.97 2uwt h PHE 216 N 0.16 0.43 -0.28 1.25 3.04 -1.09 0.38 116.94 120.84 2uwt h PHE 216 Ca 0.06 -0.13 -0.00 0.00 3.98 0.00 0.00 57.97 61.88 2uwt h PHE 216 Cb 0.50 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.91 2uwt h PHE 216 CO 0.05 0.75 0.17 0.00 -2.02 0.00 0.00 178.31 177.26 2uwt h ALA 217 N 1.23 0.35 0.32 2.41 0.00 -0.72 0.66 119.26 123.51 2uwt h ALA 217 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2uwt h ALA 217 Cb 0.92 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2uwt h ALA 217 CO 0.08 -0.15 -0.25 0.52 0.00 0.00 0.00 179.25 179.45 2uwt h MET 218 N 0.35 -0.55 0.42 0.00 2.86 -0.15 -1.02 114.93 116.84 2uwt h MET 218 Ca 0.10 0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 2uwt h MET 218 Cb 0.01 0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.80 2uwt h MET 218 CO -0.02 -0.37 -0.20 1.25 1.06 0.00 0.00 176.91 178.63 2uwt h HIS 219 N -0.57 -0.52 -0.55 -0.22 -0.00 -0.21 0.13 115.15 113.20 2uwt h HIS 219 Ca -0.02 -0.01 0.11 0.00 -0.00 0.00 0.00 60.37 60.45 2uwt h HIS 219 Cb 0.50 0.17 -0.10 0.00 -0.00 0.00 0.00 27.41 27.99 2uwt h HIS 219 CO -0.13 -0.21 -0.03 0.78 -0.00 0.00 0.00 177.93 178.34 2uwt h GLY 220 N -0.81 0.54 1.38 5.26 0.00 -0.95 0.86 103.07 109.35 2uwt h GLY 220 Ca -0.06 0.09 -0.10 0.00 0.00 0.00 0.00 47.33 47.27 2uwt h GLY 220 CO 0.09 -0.18 -0.15 0.00 0.00 0.00 0.00 176.54 176.30 2uwt h ALA 221 N 1.51 0.99 0.19 3.60 0.00 -1.00 -2.22 119.26 122.33 2uwt h ALA 221 Ca 0.28 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2uwt h ALA 221 Cb 0.44 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2uwt h ALA 221 CO -0.49 0.60 -0.09 1.15 0.00 0.00 0.00 179.25 180.42 2uwt h THR 222 N 0.66 0.91 -0.60 0.00 2.02 0.13 0.46 112.91 116.48 2uwt h THR 222 Ca 0.11 -0.49 0.08 0.00 0.77 0.00 0.00 66.41 66.87 2uwt h THR 222 Cb 0.63 1.20 -0.06 0.00 -1.74 0.00 0.00 68.15 68.17 2uwt h THR 222 CO 0.04 0.11 0.27 0.40 0.37 0.00 0.00 175.52 176.71 2uwt h ILE 223 N -0.49 0.84 -0.62 3.11 1.08 -0.88 -0.68 117.51 119.88 2uwt h ILE 223 Ca -0.03 -0.17 -0.04 0.00 -0.39 0.00 0.00 64.86 64.24 2uwt h ILE 223 Cb 0.38 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 34.42 2uwt h ILE 223 CO 0.04 0.09 0.23 -0.07 -0.69 0.00 0.00 178.15 177.75 2uwt h LEU 224 N 0.48 0.87 -2.05 1.44 3.38 -1.33 0.96 115.31 119.06 2uwt h LEU 224 Ca 0.29 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2uwt h LEU 224 Cb 0.30 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2uwt h LEU 224 CO -0.25 0.82 -0.06 0.00 0.09 0.00 0.00 178.44 179.03 2uwt h ALA 225 N 1.08 1.65 -0.37 1.53 0.00 0.46 -2.18 119.26 121.43 2uwt h ALA 225 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2uwt h ALA 225 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2uwt h ALA 225 CO -0.01 0.08 0.00 1.33 0.00 0.00 0.00 179.25 180.65 2uwt n VAL 226 N -4.11 1.78 0.29 0.00 0.24 -0.40 -4.57 118.33 111.57 2uwt n VAL 226 Ca -0.03 -1.44 0.17 0.00 -2.04 0.00 0.00 64.34 61.00 2uwt n VAL 226 Cb 0.15 0.07 0.66 0.00 -1.47 0.00 0.00 33.84 33.25 2uwt n VAL 226 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2uwt h SER 227 N 2.35 0.00 0.16 -1.34 4.64 -0.14 -1.15 113.55 118.06 2uwt h SER 227 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2uwt h SER 227 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2uwt h SER 227 CO 0.16 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 174.01 2uwt n ARG 228 N -2.99 0.35 -0.52 4.77 1.85 -1.26 -1.95 116.66 116.90 2uwt n ARG 228 Ca 0.01 0.08 0.06 0.00 -1.00 0.00 0.00 57.85 56.99 2uwt n ARG 228 Cb 0.30 -1.50 0.10 0.00 -1.05 0.00 0.00 32.46 30.31 2uwt n ARG 228 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2uwt n PHE 229 N -1.16 0.00 -1.00 2.89 3.01 -0.66 -4.99 117.46 115.55 2uwt n PHE 229 Ca 0.09 -0.79 -0.00 0.00 1.01 0.00 0.00 57.45 57.76 2uwt n PHE 229 Cb 0.09 -0.15 -0.00 0.00 -0.01 0.00 0.00 39.48 39.41 2uwt n PHE 229 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2uwt n GLY 230 N -0.70 0.46 0.45 1.37 0.00 -0.82 -4.35 105.19 101.58 2uwt n GLY 230 Ca 0.11 -0.44 0.38 0.00 0.00 0.00 0.00 46.02 46.07 2uwt n GLY 230 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2uwt h GLY 231 N 0.00 1.51 2.00 -0.02 0.00 -1.42 -1.29 103.07 103.85 2uwt h GLY 231 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2uwt h GLY 231 CO 0.00 -0.51 0.00 -1.84 0.00 0.00 0.00 176.54 174.19 2uwt n GLU 232 N -4.81 0.08 -1.44 4.80 0.00 -1.26 -4.02 120.64 113.99 2uwt n GLU 232 Ca 0.39 0.08 -0.41 0.00 0.00 0.00 0.00 57.16 57.21 2uwt n GLU 232 Cb 1.48 -1.60 -0.02 0.00 0.00 0.00 0.00 31.44 31.30 2uwt n GLU 232 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2uwt n ARG 233 N -1.75 2.37 -0.11 3.44 1.74 -0.49 -4.73 116.66 117.14 2uwt n ARG 233 Ca 0.06 -2.24 -0.10 0.00 -0.77 0.00 0.00 57.85 54.81 2uwt n ARG 233 Cb 0.36 -3.08 0.04 0.00 -1.02 0.00 0.00 32.46 28.77 2uwt n ARG 233 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2uwt h GLU 234 N 6.64 0.87 -0.67 5.56 5.08 -1.85 -1.92 114.58 128.29 2uwt h GLU 234 Ca 0.53 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 2uwt h GLU 234 Cb 0.60 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2uwt h GLU 234 CO 1.89 1.02 0.14 -0.07 -1.00 0.00 0.00 179.01 180.99 2uwt h LEU 235 N 0.75 1.04 -0.20 1.33 3.38 -1.94 0.46 115.31 120.13 2uwt h LEU 235 Ca 0.09 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 2uwt h LEU 235 Cb 0.79 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2uwt h LEU 235 CO 0.07 1.01 -0.37 -0.08 0.09 0.00 0.00 178.44 179.16 2uwt h GLU 236 N 1.02 0.00 0.00 1.13 4.57 -1.93 -2.36 114.58 117.01 2uwt h GLU 236 Ca 0.21 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.30 2uwt h GLU 236 Cb 0.40 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 2uwt h GLU 236 CO 0.01 0.37 -0.44 1.96 -1.18 0.00 0.00 179.01 179.73 2uwt h GLN 237 N 0.00 0.00 -0.23 1.92 1.08 -0.92 -1.35 115.11 115.61 2uwt h GLN 237 Ca -0.00 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 2uwt h GLN 237 Cb 1.21 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.63 2uwt h GLN 237 CO 0.05 0.44 -0.17 0.82 -0.95 0.00 0.00 178.83 179.02 2uwt h ILE 238 N 0.00 1.31 0.00 2.54 2.04 -0.68 -2.31 117.51 120.42 2uwt h ILE 238 Ca -0.00 -1.29 -0.02 0.00 1.00 0.00 0.00 64.86 64.54 2uwt h ILE 238 Cb 0.93 1.65 -0.00 0.00 -0.74 0.00 0.00 36.82 38.65 2uwt h ILE 238 CO 0.06 0.40 -0.11 0.00 0.00 0.00 0.00 178.15 178.49 2uwt h ALA 239 N 0.69 0.94 -0.58 1.87 0.00 -1.40 -3.40 119.26 117.37 2uwt h ALA 239 Ca 0.04 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 2uwt h ALA 239 Cb 0.69 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.31 2uwt h ALA 239 CO 0.04 0.14 -0.40 -3.47 0.00 0.00 0.00 179.25 175.56 2uwt n ASP 240 N -3.14 -2.88 -4.53 0.00 2.03 -0.51 -5.08 116.55 102.44 2uwt n ASP 240 Ca 0.03 -2.61 -0.59 0.00 0.52 0.00 0.00 54.79 52.14 2uwt n ASP 240 Cb 0.53 1.54 -0.08 0.00 -0.72 0.00 0.00 41.12 42.39 2uwt n ASP 240 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2uwt n ARG 241 N 2.51 0.08 -3.66 -0.67 0.63 -0.87 -4.44 116.66 110.24 2uwt n ARG 241 Ca 0.14 0.03 -0.23 0.00 -0.92 0.00 0.00 57.85 56.87 2uwt n ARG 241 Cb 0.60 -1.54 -0.02 0.00 0.45 0.00 0.00 32.46 31.95 2uwt n ARG 241 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2uwt n GLY 242 N 1.77 3.21 0.28 5.14 0.00 -1.26 -5.02 105.19 109.31 2uwt n GLY 242 Ca 0.21 -2.30 0.15 0.00 0.00 0.00 0.00 46.02 44.08 2uwt n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uwt h THR 243 N 0.88 0.43 0.41 2.61 1.03 -1.94 -2.61 112.91 113.73 2uwt h THR 243 Ca -0.30 -0.38 -0.01 0.00 -0.01 0.00 0.00 66.41 65.72 2uwt h THR 243 Cb 0.99 1.26 -0.02 0.00 -1.07 0.00 0.00 68.15 69.32 2uwt h THR 243 CO 0.48 0.07 -0.33 0.00 -0.01 0.00 0.00 175.52 175.73 2uwt h ALA 244 N 1.93 -0.76 -0.04 0.00 0.00 -1.89 0.70 119.26 119.21 2uwt h ALA 244 Ca -0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2uwt h ALA 244 Cb 0.25 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2uwt h ALA 244 CO 0.01 -0.95 -0.21 0.00 0.00 0.00 0.00 179.25 178.10 2uwt h ALA 245 N -0.28 1.59 0.06 0.00 0.00 -1.85 -1.21 119.26 117.57 2uwt h ALA 245 Ca -0.04 -0.21 -0.27 0.00 0.00 0.00 0.00 54.91 54.40 2uwt h ALA 245 Cb 0.65 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.41 2uwt h ALA 245 CO -0.01 0.30 -1.08 0.93 0.00 0.00 0.00 179.25 179.39 2uwt h GLU 246 N 0.05 0.62 -0.45 0.00 5.08 -1.26 -1.88 114.58 116.74 2uwt h GLU 246 Ca 0.01 -0.75 -0.10 0.00 -1.00 0.00 0.00 59.36 57.52 2uwt h GLU 246 Cb 0.40 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2uwt h GLU 246 CO 0.03 1.33 -0.12 0.00 -1.00 0.00 0.00 179.01 179.24 2uwt h ARG 247 N 0.25 0.87 -0.18 2.33 3.08 -0.65 -1.38 114.38 118.71 2uwt h ARG 247 Ca -0.15 -0.34 0.03 0.00 0.07 0.00 0.00 59.98 59.59 2uwt h ARG 247 Cb 1.75 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 31.70 2uwt h ARG 247 CO 0.21 0.98 -0.45 0.00 -1.07 0.00 0.00 179.97 179.64 2uwt h ALA 248 N 0.87 -0.78 -0.90 0.04 0.00 -1.28 0.70 119.26 117.92 2uwt h ALA 248 Ca 0.11 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.09 2uwt h ALA 248 Cb 0.67 0.97 -0.08 0.00 0.00 0.00 0.00 17.79 19.35 2uwt h ALA 248 CO 0.05 -0.95 0.54 0.00 0.00 0.00 0.00 179.25 178.88 2uwt h ALA 249 N -0.44 1.30 -0.01 0.00 0.00 -1.23 -2.31 119.26 116.57 2uwt h ALA 249 Ca 0.04 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 2uwt h ALA 249 Cb 0.53 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2uwt h ALA 249 CO -0.39 0.18 -0.69 -0.07 0.00 0.00 0.00 179.25 178.27 2uwt h LEU 250 N 0.90 0.07 -0.34 0.00 3.38 -0.93 -0.29 115.31 118.10 2uwt h LEU 250 Ca 0.43 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.41 2uwt h LEU 250 Cb 0.38 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2uwt h LEU 250 CO -0.24 0.74 0.00 0.15 0.09 0.00 0.00 178.44 179.18 2uwt h PHE 251 N 0.04 -0.01 -0.06 1.13 3.04 -0.29 0.27 116.94 121.06 2uwt h PHE 251 Ca -0.01 0.02 -0.20 0.00 3.98 0.00 0.00 57.97 61.77 2uwt h PHE 251 Cb 1.23 0.06 -0.00 0.00 2.56 0.00 0.00 35.95 39.79 2uwt h PHE 251 CO 0.01 -0.06 -0.78 -1.49 -2.02 0.00 0.00 178.31 173.97 2uwt h TRP 252 N 0.10 0.59 -0.09 0.41 4.06 -1.32 -1.74 115.95 117.95 2uwt h TRP 252 Ca 0.16 -0.28 -0.01 0.00 2.06 0.00 0.00 58.89 60.83 2uwt h TRP 252 Cb 0.22 -0.08 -0.00 0.00 -1.00 0.00 0.00 29.16 28.29 2uwt h TRP 252 CO -0.24 1.05 0.03 -0.09 -3.56 0.00 0.00 178.44 175.63 2uwt h ARG 253 N 0.28 0.14 -0.28 0.49 2.43 -0.88 0.18 114.38 116.75 2uwt h ARG 253 Ca -0.04 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 2uwt h ARG 253 Cb 1.38 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.89 2uwt h ARG 253 CO 0.14 0.30 -0.09 -1.49 -1.51 0.00 0.00 179.97 177.32 2uwt h TRP 254 N -0.04 0.47 0.07 2.20 6.55 -0.94 0.30 115.95 124.57 2uwt h TRP 254 Ca 0.03 -0.06 -0.00 0.00 0.95 0.00 0.00 58.89 59.81 2uwt h TRP 254 Cb 0.21 -0.13 0.00 0.00 -0.86 0.00 0.00 29.16 28.38 2uwt h TRP 254 CO -0.00 0.53 -0.03 1.15 -1.05 0.00 0.00 178.44 179.03 2uwt h THR 255 N 0.42 0.98 0.00 1.49 2.02 -1.06 -3.42 112.91 113.34 2uwt h THR 255 Ca 0.08 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.78 2uwt h THR 255 Cb 0.41 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 2uwt h THR 255 CO 0.02 0.30 0.00 1.15 0.37 0.00 0.00 175.52 177.36 2uwt n MET 256 N -4.79 0.15 -0.73 6.66 0.00 0.62 -5.03 117.12 113.99 2uwt n MET 256 Ca -0.07 -0.60 0.00 0.00 0.00 0.00 0.00 57.70 57.03 2uwt n MET 256 Cb 0.27 -0.84 0.00 0.00 0.00 0.00 0.00 33.22 32.65 2uwt n MET 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2uwt n GLY 257 N -0.11 0.67 3.63 3.17 0.00 0.11 -4.98 105.19 107.68 2uwt n GLY 257 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2uwt n GLY 257 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2uwt s PHE 258 N -2.25 0.42 0.39 1.61 -0.71 -1.26 -4.93 117.98 111.27 2uwt s PHE 258 Ca 0.00 -0.81 -0.13 0.00 -1.04 0.00 0.00 56.93 54.94 2uwt s PHE 258 Cb 0.00 0.27 0.05 0.00 -1.21 0.00 0.00 43.02 42.14 2uwt s PHE 258 CO 0.00 -1.13 0.76 0.27 -1.34 0.00 0.00 175.22 173.78 2uwt n ASN 259 N -0.76 -2.20 -4.74 1.98 6.94 -1.26 -3.02 115.26 112.20 2uwt n ASN 259 Ca -0.02 -2.65 -0.29 0.00 -0.02 0.00 0.00 54.58 51.60 2uwt n ASN 259 Cb 0.61 3.70 -0.03 0.00 -2.36 0.00 0.00 39.78 41.70 2uwt n ASN 259 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2uwt n ALA 260 N -0.56 0.64 -2.27 -2.53 0.00 -1.26 -5.06 120.51 109.46 2uwt n ALA 260 Ca -0.17 -2.24 -0.22 0.00 0.00 0.00 0.00 53.44 50.82 2uwt n ALA 260 Cb 0.60 1.07 -0.04 0.00 0.00 0.00 0.00 19.45 21.08 2uwt n ALA 260 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2uwt s THR 261 N -2.77 2.52 0.34 0.00 -4.23 -1.26 -4.74 115.64 105.51 2uwt s THR 261 Ca 0.16 -1.43 0.04 0.00 -1.18 0.00 0.00 61.69 59.28 2uwt s THR 261 Cb -0.01 -2.95 0.29 0.00 1.34 0.00 0.00 72.50 71.16 2uwt s THR 261 CO 0.10 0.00 1.95 -0.03 -0.54 0.00 0.00 174.62 176.10 2uwt h MET 262 N 1.09 0.83 0.15 3.99 4.05 -1.91 0.77 114.93 123.90 2uwt h MET 262 Ca -0.41 -0.05 -0.22 0.00 -0.28 0.00 0.00 59.70 58.73 2uwt h MET 262 Cb 1.27 -0.19 0.02 0.00 -0.80 0.00 0.00 31.60 31.90 2uwt h MET 262 CO 0.60 0.55 -1.02 1.49 0.23 0.00 0.00 176.91 178.75 2uwt h GLU 263 N 0.85 0.32 -0.25 0.39 4.81 -1.93 -3.39 114.58 115.37 2uwt h GLU 263 Ca 0.32 -0.54 -0.10 0.00 -0.13 0.00 0.00 59.36 58.91 2uwt h GLU 263 Cb 0.19 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2uwt h GLU 263 CO -0.11 1.26 -0.26 0.78 -0.73 0.00 0.00 179.01 179.95 2uwt h GLY 264 N -0.22 0.53 -0.05 1.92 0.00 -1.84 -2.16 103.07 101.26 2uwt h GLY 264 Ca -0.19 -0.44 0.23 0.00 0.00 0.00 0.00 47.33 46.93 2uwt h GLY 264 CO 0.15 0.41 0.61 1.19 0.00 0.00 0.00 176.54 178.90 2uwt h ILE 265 N 0.43 0.59 0.00 2.60 6.09 -1.04 0.27 117.51 126.45 2uwt h ILE 265 Ca 0.06 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 63.35 2uwt h ILE 265 Cb 0.69 -0.06 0.00 0.00 0.47 0.00 0.00 36.82 37.92 2uwt h ILE 265 CO 0.05 0.11 0.00 0.45 -3.07 0.00 0.00 178.15 175.69 2uwt h HIS 266 N 0.60 0.00 0.22 2.19 3.86 -1.59 0.11 115.15 120.54 2uwt h HIS 266 Ca 0.61 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 59.50 2uwt h HIS 266 Cb 1.18 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.68 2uwt h HIS 266 CO -0.00 0.00 -1.48 0.00 0.86 0.00 0.00 177.93 177.31 2uwt h ARG 267 N 0.00 0.46 -0.50 2.45 3.08 -0.48 -1.60 114.38 117.79 2uwt h ARG 267 Ca 0.00 -0.79 0.09 0.00 0.07 0.00 0.00 59.98 59.35 2uwt h ARG 267 Cb 0.52 0.29 -0.07 0.00 0.08 0.00 0.00 29.97 30.79 2uwt h ARG 267 CO 0.00 1.38 0.10 -1.49 -1.07 0.00 0.00 179.97 178.89 2uwt h TRP 268 N 0.05 0.16 0.42 3.04 4.06 -0.96 -2.62 115.95 120.09 2uwt h TRP 268 Ca -0.27 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.70 2uwt h TRP 268 Cb 2.07 0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 30.22 2uwt h TRP 268 CO 0.13 -0.01 -0.38 0.00 -3.56 0.00 0.00 178.44 174.62 2uwt h ALA 269 N 1.39 -0.85 -0.62 1.49 0.00 -0.74 0.36 119.26 120.28 2uwt h ALA 269 Ca 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2uwt h ALA 269 Cb 0.34 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2uwt h ALA 269 CO -0.33 -1.01 0.35 0.97 0.00 0.00 0.00 179.25 179.22 2uwt h ILE 270 N -0.81 1.19 0.18 0.00 2.10 -1.25 -2.50 117.51 116.42 2uwt h ILE 270 Ca -0.04 -0.45 -0.32 0.00 1.08 0.00 0.00 64.86 65.14 2uwt h ILE 270 Cb 0.72 0.33 0.03 0.00 -1.09 0.00 0.00 36.82 36.81 2uwt h ILE 270 CO -0.04 0.20 -1.36 -0.50 -1.08 0.00 0.00 178.15 175.37 2uwt h TRP 271 N 0.86 0.98 -0.57 2.19 4.06 -1.26 -1.47 115.95 120.75 2uwt h TRP 271 Ca 0.22 -0.66 0.11 0.00 2.06 0.00 0.00 58.89 60.62 2uwt h TRP 271 Cb 0.01 -0.06 -0.09 0.00 -1.00 0.00 0.00 29.16 28.02 2uwt h TRP 271 CO 0.00 1.51 0.08 1.98 -3.56 0.00 0.00 178.44 178.45 2uwt h MET 272 N 0.21 0.19 0.11 0.49 4.05 -0.69 -2.52 114.93 116.78 2uwt h MET 272 Ca -0.22 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.18 2uwt h MET 272 Cb 2.04 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.80 2uwt h MET 272 CO 0.26 0.13 -0.05 0.00 0.23 0.00 0.00 176.91 177.47 2uwt h ALA 273 N 1.47 -0.15 0.00 0.39 0.00 -1.45 -3.25 119.26 116.28 2uwt h ALA 273 Ca 0.29 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2uwt h ALA 273 Cb 0.44 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2uwt h ALA 273 CO -0.42 -0.35 0.00 -0.39 0.00 0.00 0.00 179.25 178.09 2uwt h VAL 274 N -0.62 0.00 0.00 0.00 -1.51 -1.20 -2.45 116.25 110.47 2uwt h VAL 274 Ca -0.02 -0.39 -0.05 0.00 -1.23 0.00 0.00 66.70 65.01 2uwt h VAL 274 Cb 0.49 1.36 -0.01 0.00 -2.13 0.00 0.00 31.29 31.00 2uwt h VAL 274 CO 0.03 0.00 -0.23 -0.07 -1.23 0.00 0.00 177.57 176.06 2uwt h LEU 275 N 0.00 0.00 -0.26 4.19 3.38 -1.48 -1.64 115.31 119.50 2uwt h LEU 275 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2uwt h LEU 275 Cb 0.41 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 2uwt h LEU 275 CO 0.00 0.23 -0.43 0.58 0.09 0.00 0.00 178.44 178.91 2uwt h VAL 276 N 0.00 0.00 0.00 1.22 2.07 -1.51 -1.59 116.25 116.44 2uwt h VAL 276 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2uwt h VAL 276 Cb 1.07 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2uwt h VAL 276 CO 0.03 0.00 -0.04 0.71 0.02 0.00 0.00 177.57 178.29 2uwt h THR 277 N -0.35 0.00 0.15 2.57 1.35 -1.70 -1.07 112.91 113.86 2uwt h THR 277 Ca 0.05 -1.00 -0.01 0.00 -0.55 0.00 0.00 66.41 64.90 2uwt h THR 277 Cb 0.48 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 2uwt h THR 277 CO -0.43 0.00 -0.07 -0.07 -0.25 0.00 0.00 175.52 174.70 2uwt h LEU 278 N 0.00 -0.17 -0.44 3.87 3.38 -1.22 -0.61 115.31 120.13 2uwt h LEU 278 Ca 0.00 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 2uwt h LEU 278 Cb 1.00 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 2uwt h LEU 278 CO 0.00 0.33 0.12 0.71 0.09 0.00 0.00 178.44 179.69 2uwt h THR 279 N -0.75 1.23 -0.22 0.22 1.35 -1.37 -2.71 112.91 110.66 2uwt h THR 279 Ca -0.02 -0.78 0.04 0.00 -0.55 0.00 0.00 66.41 65.10 2uwt h THR 279 Cb 0.52 0.90 -0.07 0.00 -1.73 0.00 0.00 68.15 67.77 2uwt h THR 279 CO 0.03 0.28 -0.52 1.23 -0.25 0.00 0.00 175.52 176.29 2uwt h GLY 280 N 0.57 -0.98 1.45 5.82 0.00 -1.23 -0.51 103.07 108.19 2uwt h GLY 280 Ca 0.14 0.66 0.06 0.00 0.00 0.00 0.00 47.33 48.18 2uwt h GLY 280 CO -0.00 -0.18 0.24 -1.33 0.00 0.00 0.00 176.54 175.27 2uwt h GLY 281 N -0.51 0.29 0.72 4.60 0.00 -1.04 -1.54 103.07 105.58 2uwt h GLY 281 Ca 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 2uwt h GLY 281 CO -0.48 0.08 -0.09 -2.22 0.00 0.00 0.00 176.54 173.83 2uwt h ILE 282 N 0.24 1.33 -0.69 2.60 2.04 -1.01 -0.91 117.51 121.11 2uwt h ILE 282 Ca 0.16 -1.18 0.09 0.00 1.00 0.00 0.00 64.86 64.92 2uwt h ILE 282 Cb 0.32 1.83 -0.07 0.00 -0.74 0.00 0.00 36.82 38.16 2uwt h ILE 282 CO -0.03 0.34 0.34 1.23 0.00 0.00 0.00 178.15 180.04 2uwt h GLY 283 N -0.07 1.03 0.90 5.37 0.00 -0.18 -1.39 103.07 108.72 2uwt h GLY 283 Ca 0.03 -0.22 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 2uwt h GLY 283 CO 0.02 0.07 -0.22 -2.22 0.00 0.00 0.00 176.54 174.19 2uwt h ILE 284 N 0.60 1.31 -0.16 2.60 1.08 -1.36 -3.14 117.51 118.44 2uwt h ILE 284 Ca 0.34 -1.37 -0.02 0.00 -0.39 0.00 0.00 64.86 63.41 2uwt h ILE 284 Cb 0.33 1.64 -0.01 0.00 -3.07 0.00 0.00 36.82 35.72 2uwt h ILE 284 CO -0.26 0.43 -0.01 0.25 -0.69 0.00 0.00 178.15 177.87 2uwt h LEU 285 N 0.30 0.21 -0.23 1.44 5.85 -0.59 -0.61 115.31 121.69 2uwt h LEU 285 Ca 0.04 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2uwt h LEU 285 Cb 0.77 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.75 2uwt h LEU 285 CO 0.06 0.27 0.00 -0.07 -0.34 0.00 0.00 178.44 178.35 2uwt h LEU 286 N 0.23 0.00 -8.90 2.25 3.38 -1.30 -3.39 115.31 107.57 2uwt h LEU 286 Ca 0.06 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.46 2uwt h LEU 286 Cb 0.18 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 2uwt h LEU 286 CO 0.00 0.00 0.90 -0.44 0.09 0.00 0.00 178.44 178.99 2uwt s SER 287 N -5.11 6.80 0.00 -0.43 0.01 -0.24 -1.51 113.70 113.22 2uwt s SER 287 Ca 0.08 0.96 0.00 0.00 1.31 0.00 0.00 55.95 58.30 2uwt s SER 287 Cb 0.09 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2uwt s SER 287 CO 0.59 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.83 2uwt n GLY 288 N 4.20 3.02 0.13 3.44 0.00 0.19 -4.79 105.19 111.38 2uwt n GLY 288 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 2uwt n GLY 288 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2uwt h THR 289 N 0.00 0.80 0.00 2.61 1.35 -1.74 -3.44 112.91 112.50 2uwt h THR 289 Ca 0.00 -2.38 0.00 0.00 -0.55 0.00 0.00 66.41 63.48 2uwt h THR 289 Cb 0.00 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 2uwt h THR 289 CO 0.00 0.80 -0.86 0.52 -0.25 0.00 0.00 175.52 175.73 2uwt n VAL 290 N -3.69 0.00 -4.00 6.82 0.31 -0.86 -5.00 118.33 111.90 2uwt n VAL 290 Ca -0.29 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.74 2uwt n VAL 290 Cb 0.99 -0.60 -0.16 0.00 -0.91 0.00 0.00 33.84 33.15 2uwt n VAL 290 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2uwt s VAL 291 N -1.86 1.52 0.07 2.52 1.01 -0.57 -5.00 120.40 118.09 2uwt s VAL 291 Ca 0.00 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.40 2uwt s VAL 291 Cb 0.00 -1.46 -0.23 0.00 0.00 0.00 0.00 36.38 34.70 2uwt s VAL 291 CO 0.00 0.41 1.09 0.44 0.00 0.00 0.00 175.10 177.05 2uwt h ASP 292 N 8.06 0.09 -2.31 3.32 3.45 -1.88 0.55 116.42 127.71 2uwt h ASP 292 Ca -0.36 -0.11 -0.30 0.00 0.43 0.00 0.00 57.03 56.69 2uwt h ASP 292 Cb 1.13 -0.03 -0.34 0.00 -0.56 0.00 0.00 39.33 39.53 2uwt h ASP 292 CO 0.51 1.09 -0.61 0.21 -1.57 0.00 0.00 179.24 178.87 2uwt s ASN 293 N -6.66 1.36 0.30 6.45 3.84 -1.26 -4.38 114.94 114.59 2uwt s ASN 293 Ca -0.02 -0.36 -0.01 0.00 0.21 0.00 0.00 52.86 52.68 2uwt s ASN 293 Cb 0.09 0.52 0.47 0.00 -0.55 0.00 0.00 41.25 41.78 2uwt s ASN 293 CO 0.83 -0.35 1.95 -0.50 -2.79 0.00 0.00 177.10 176.25 2uwt h TRP 294 N 8.28 1.04 -0.65 0.43 4.06 -1.15 -1.02 115.95 126.94 2uwt h TRP 294 Ca -0.16 0.03 0.05 0.00 2.06 0.00 0.00 58.89 60.86 2uwt h TRP 294 Cb 1.12 -0.35 -0.05 0.00 -1.00 0.00 0.00 29.16 28.88 2uwt h TRP 294 CO 0.19 0.62 0.36 -0.92 -3.56 0.00 0.00 178.44 175.13 2uwt h TYR 295 N 1.09 0.67 0.46 0.49 3.20 -1.78 0.71 116.97 121.81 2uwt h TYR 295 Ca 0.33 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.20 2uwt h TYR 295 Cb -0.03 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.03 2uwt h TYR 295 CO -0.00 0.33 -0.22 0.28 -1.64 0.00 0.00 178.16 176.91 2uwt h VAL 296 N 0.68 0.48 -0.76 1.81 2.07 -1.57 -2.48 116.25 116.48 2uwt h VAL 296 Ca 0.28 -0.39 0.17 0.00 0.82 0.00 0.00 66.70 67.59 2uwt h VAL 296 Cb 0.15 0.65 -0.13 0.00 -1.52 0.00 0.00 31.29 30.43 2uwt h VAL 296 CO -0.17 0.06 -0.02 -0.25 0.02 0.00 0.00 177.57 177.21 2uwt h TRP 297 N -0.86 -0.10 0.00 1.57 7.01 -1.15 0.63 115.95 123.04 2uwt h TRP 297 Ca -0.06 0.06 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2uwt h TRP 297 Cb 0.57 0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.79 2uwt h TRP 297 CO 0.00 -0.26 0.00 0.78 -2.79 0.00 0.00 178.44 176.17 2uwt h GLY 298 N 0.08 0.00 1.50 2.65 0.00 -0.66 -1.81 103.07 104.83 2uwt h GLY 298 Ca 0.41 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.59 2uwt h GLY 298 CO -0.69 0.00 -1.01 1.46 0.00 0.00 0.00 176.54 176.30 2uwt h GLN 299 N 0.00 0.00 -0.81 4.80 1.08 -0.41 -3.01 115.11 116.76 2uwt h GLN 299 Ca 0.00 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 2uwt h GLN 299 Cb 0.18 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.59 2uwt h GLN 299 CO 0.00 0.44 0.06 0.09 -0.95 0.00 0.00 178.83 178.47 2uwt n ASN 300 N -3.07 3.54 0.00 1.46 3.02 -0.75 -4.86 115.26 114.59 2uwt n ASN 300 Ca -0.04 -2.56 0.00 0.00 -0.03 0.00 0.00 54.58 51.95 2uwt n ASN 300 Cb 0.81 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 2uwt n ASN 300 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2uwt n HIS 301 N 0.22 0.00 0.00 3.10 8.25 -1.14 -3.91 115.22 121.74 2uwt n HIS 301 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 2uwt n HIS 301 Cb 0.82 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.64 2uwt n HIS 301 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2uwt n GLY 302 N 0.58 -0.35 0.00 -1.41 0.00 -0.78 -4.85 105.19 98.38 2uwt n GLY 302 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.63 2uwt n GLY 302 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19