#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxi s ARG 2 N 0.00 2.73 0.80 0.00 0.52 -1.15 -4.94 118.95 116.91 3gxi s ARG 2 Ca 0.00 -0.84 -0.11 0.00 -0.52 0.00 0.00 55.73 54.25 3gxi s ARG 2 Cb 0.00 -2.28 0.07 0.00 0.52 0.00 0.00 34.95 33.26 3gxi s ARG 2 CO 0.00 0.36 1.09 -1.25 0.02 0.00 0.00 175.30 175.53 3gxi s PRO 3 N -0.10 2.03 0.21 3.54 0.04 -1.26 -1.58 135.00 137.88 3gxi s PRO 3 Ca -0.05 0.73 -0.31 0.00 0.04 0.00 0.00 61.00 61.41 3gxi s PRO 3 Cb -0.14 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.38 3gxi s PRO 3 CO 0.04 -1.68 1.65 0.00 0.04 0.00 0.00 177.00 177.05 3gxi s ILE 5 N 0.90 4.93 0.39 0.00 -1.09 -1.26 -5.01 121.20 120.06 3gxi s ILE 5 Ca 0.71 -0.57 -0.18 0.00 -2.23 0.00 0.00 60.65 58.39 3gxi s ILE 5 Cb -0.48 -4.27 -0.10 0.00 -1.58 0.00 0.00 42.46 36.04 3gxi s ILE 5 CO 0.35 -0.77 0.86 -2.16 -1.23 0.00 0.00 174.94 171.99 3gxi s PRO 6 N 2.49 4.09 -0.06 2.79 0.04 -1.26 -0.91 135.00 142.17 3gxi s PRO 6 Ca 0.14 0.89 -0.04 0.00 0.04 0.00 0.00 61.00 62.02 3gxi s PRO 6 Cb -0.20 -2.29 0.02 0.00 0.04 0.00 0.00 34.50 32.08 3gxi s PRO 6 CO 0.11 0.02 0.15 0.21 0.04 0.00 0.00 177.00 177.53 3gxi s LYS 7 N -3.23 0.15 0.06 4.56 2.20 -0.78 -4.90 119.74 117.80 3gxi s LYS 7 Ca 0.58 0.27 -0.06 0.00 -0.36 0.00 0.00 55.97 56.40 3gxi s LYS 7 Cb -0.10 -0.01 -0.05 0.00 -1.51 0.00 0.00 37.83 36.17 3gxi s LYS 7 CO 0.18 -0.07 0.30 0.45 -0.36 0.00 0.00 175.35 175.85 3gxi s SER 8 N 0.46 6.49 -0.13 1.43 0.15 -1.26 -1.33 113.70 119.51 3gxi s SER 8 Ca -0.03 0.55 0.15 0.00 0.70 0.00 0.00 55.95 57.32 3gxi s SER 8 Cb -0.05 -2.08 0.33 0.00 -1.71 0.00 0.00 66.02 62.51 3gxi s SER 8 CO -0.02 0.18 1.17 0.49 1.20 0.00 0.00 173.24 176.25 3gxi n PHE 9 N 0.71 0.00 -0.68 3.44 3.01 -1.26 -4.98 117.46 117.70 3gxi n PHE 9 Ca -0.08 -1.04 0.00 0.00 1.01 0.00 0.00 57.45 57.34 3gxi n PHE 9 Cb 0.52 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 3gxi n PHE 9 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gxi n GLY 10 N -0.91 0.66 2.33 1.37 0.00 -1.26 -4.93 105.19 102.45 3gxi n GLY 10 Ca 0.14 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 3gxi n GLY 10 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxi n TYR 11 N -2.68 -1.92 0.28 1.61 4.02 -1.26 -5.01 117.16 112.19 3gxi n TYR 11 Ca 0.00 -1.33 0.16 0.00 -0.01 0.00 0.00 57.90 56.73 3gxi n TYR 11 Cb 0.00 -0.31 0.72 0.00 -0.02 0.00 0.00 39.34 39.73 3gxi n TYR 11 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3gxi h SER 12 N 0.19 0.00 -2.53 7.72 4.64 -1.91 -3.46 113.55 118.21 3gxi h SER 12 Ca -0.18 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.05 3gxi h SER 12 Cb 0.76 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.82 3gxi h SER 12 CO 0.27 0.05 -0.08 -0.24 -0.87 0.00 0.00 176.83 175.95 3gxi n SER 13 N -3.18 -0.05 -4.89 4.97 2.88 0.03 -4.84 113.62 108.53 3gxi n SER 13 Ca -0.00 -1.38 -0.23 0.00 -1.33 0.00 0.00 58.87 55.93 3gxi n SER 13 Cb 0.29 0.29 -0.03 0.00 -0.75 0.00 0.00 64.21 64.00 3gxi n SER 13 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3gxi s VAL 14 N -2.21 4.88 0.38 2.46 -7.23 -1.26 -4.52 120.40 112.90 3gxi s VAL 14 Ca 0.07 -1.10 0.04 0.00 -1.81 0.00 0.00 61.98 59.19 3gxi s VAL 14 Cb 0.00 -3.60 -0.01 0.00 0.56 0.00 0.00 36.38 33.34 3gxi s VAL 14 CO 0.05 -0.26 0.54 0.68 -0.31 0.00 0.00 175.10 175.80 3gxi s VAL 15 N -1.96 3.99 -0.16 1.32 -7.23 -0.44 -4.38 120.40 111.53 3gxi s VAL 15 Ca 0.33 -0.83 -0.04 0.00 -1.81 0.00 0.00 61.98 59.63 3gxi s VAL 15 Cb -0.09 -3.41 -0.03 0.00 0.56 0.00 0.00 36.38 33.41 3gxi s VAL 15 CO 0.27 -0.20 -0.03 0.00 -0.31 0.00 0.00 175.10 174.83 3gxi s VAL 17 N 0.47 5.20 0.17 0.00 1.01 -0.09 -0.92 120.40 126.24 3gxi s VAL 17 Ca -0.03 0.80 0.08 0.00 0.00 0.00 0.00 61.98 62.83 3gxi s VAL 17 Cb -0.14 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3gxi s VAL 17 CO 0.03 0.30 -0.16 0.00 0.00 0.00 0.00 175.10 175.26 3gxi n ASN 19 N 0.15 0.00 0.25 0.00 0.23 0.01 -0.84 115.26 115.06 3gxi n ASN 19 Ca -0.12 -0.07 0.11 0.00 -0.53 0.00 0.00 54.58 53.97 3gxi n ASN 19 Cb 0.58 0.00 0.67 0.00 -2.08 0.00 0.00 39.78 38.95 3gxi n ASN 19 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gxi h ALA 20 N 1.57 1.35 -0.00 -2.53 0.00 -1.90 -3.27 119.26 114.48 3gxi h ALA 20 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3gxi h ALA 20 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3gxi h ALA 20 CO 0.00 0.18 -0.01 0.25 0.00 0.00 0.00 179.25 179.67 3gxi n THR 21 N -3.76 0.00 -3.73 0.00 -2.24 -1.26 -4.09 114.28 99.19 3gxi n THR 21 Ca -0.02 -0.50 -0.12 0.00 -2.27 0.00 0.00 64.05 61.14 3gxi n THR 21 Cb 0.25 1.01 -0.13 0.00 -2.10 0.00 0.00 70.33 69.36 3gxi n THR 21 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3gxi s TYR 22 N -0.32 -0.35 -0.11 4.78 5.04 -1.23 -5.14 117.35 120.02 3gxi s TYR 22 Ca 0.01 0.82 -0.22 0.00 -2.44 0.00 0.00 57.07 55.24 3gxi s TYR 22 Cb 0.01 0.07 0.05 0.00 0.35 0.00 0.00 41.96 42.44 3gxi s TYR 22 CO 0.02 -0.23 0.53 0.00 -1.34 0.00 0.00 175.55 174.52 3gxi s ASP 24 N -0.58 5.24 0.21 0.00 -4.77 -1.26 -4.69 116.67 110.81 3gxi s ASP 24 Ca -0.07 2.49 -0.23 0.00 -3.30 0.00 0.00 52.55 51.44 3gxi s ASP 24 Cb -0.03 -2.61 0.04 0.00 -1.09 0.00 0.00 42.92 39.23 3gxi s ASP 24 CO 0.05 -1.57 0.85 -0.94 0.70 0.00 0.00 175.17 174.25 3gxi s SER 25 N -1.40 -0.22 0.20 2.11 1.04 -0.62 -4.90 113.70 109.91 3gxi s SER 25 Ca 0.75 -0.49 0.09 0.00 0.48 0.00 0.00 55.95 56.78 3gxi s SER 25 Cb -0.33 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 3gxi s SER 25 CO 0.37 -1.10 -0.04 -0.36 0.98 0.00 0.00 173.24 173.09 3gxi s PHE 26 N -3.57 2.72 0.78 5.02 0.40 -0.20 -2.93 117.98 120.20 3gxi s PHE 26 Ca 0.11 -0.19 -0.11 0.00 -0.60 0.00 0.00 56.93 56.14 3gxi s PHE 26 Cb -0.03 -1.29 0.06 0.00 0.51 0.00 0.00 43.02 42.27 3gxi s PHE 26 CO 0.04 0.55 1.10 -0.51 0.70 0.00 0.00 175.22 177.10 3gxi s ASP 27 N -3.12 4.34 0.39 1.36 1.01 -1.26 -4.46 116.67 114.93 3gxi s ASP 27 Ca 0.28 1.88 -0.25 0.00 0.71 0.00 0.00 52.55 55.17 3gxi s ASP 27 Cb -0.08 -2.53 -0.11 0.00 1.01 0.00 0.00 42.92 41.20 3gxi s ASP 27 CO 0.18 -2.15 0.98 -2.65 0.21 0.00 0.00 175.17 171.74 3gxi n PRO 28 N -3.55 1.30 -2.03 8.23 -0.02 -1.26 -4.77 135.00 132.90 3gxi n PRO 28 Ca 0.09 0.46 -0.41 0.00 -2.02 0.00 0.00 63.50 61.62 3gxi n PRO 28 Cb 0.53 -1.96 -0.02 0.00 -0.02 0.00 0.00 33.50 32.02 3gxi n PRO 28 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3gxi s PRO 29 N -1.88 4.27 -0.13 0.52 0.02 -1.26 -5.00 135.00 131.55 3gxi s PRO 29 Ca 0.62 2.28 -0.05 0.00 0.02 0.00 0.00 61.00 63.87 3gxi s PRO 29 Cb -0.59 -3.12 0.06 0.00 0.02 0.00 0.00 34.50 30.87 3gxi s PRO 29 CO 0.58 -0.42 0.28 0.99 -0.33 0.00 0.00 177.00 178.10 3gxi s THR 30 N 0.13 -0.30 0.00 0.99 2.01 -1.26 -5.17 115.64 112.05 3gxi s THR 30 Ca 0.60 0.22 0.07 0.00 0.31 0.00 0.00 61.69 62.89 3gxi s THR 30 Cb -0.41 -0.46 -0.02 0.00 0.01 0.00 0.00 72.50 71.62 3gxi s THR 30 CO 0.41 0.09 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.86 3gxi s PHE 31 N 2.02 1.92 0.84 4.92 0.08 -1.26 -5.11 117.98 121.40 3gxi s PHE 31 Ca -0.03 -0.37 -0.12 0.00 0.12 0.00 0.00 56.93 56.53 3gxi s PHE 31 Cb -0.11 -1.21 0.10 0.00 -0.57 0.00 0.00 43.02 41.22 3gxi s PHE 31 CO -0.09 0.01 1.15 -1.25 -0.10 0.00 0.00 175.22 174.94 3gxi s PRO 32 N -0.71 1.73 0.76 0.24 0.04 -1.26 -5.05 135.00 130.74 3gxi s PRO 32 Ca 0.08 0.23 -0.15 0.00 0.04 0.00 0.00 61.00 61.20 3gxi s PRO 32 Cb -0.08 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 3gxi s PRO 32 CO -0.00 -1.78 0.74 0.00 0.04 0.00 0.00 177.00 176.00 3gxi n ALA 33 N -3.47 -1.03 -1.54 8.56 0.00 -1.26 -4.56 120.51 117.21 3gxi n ALA 33 Ca 0.07 -0.28 -0.59 0.00 0.00 0.00 0.00 53.44 52.65 3gxi n ALA 33 Cb 0.60 -1.98 -0.08 0.00 0.00 0.00 0.00 19.45 17.99 3gxi n ALA 33 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3gxi n LEU 34 N -1.24 0.32 0.00 0.00 7.94 -1.26 -1.13 117.00 121.63 3gxi n LEU 34 Ca 0.11 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.17 3gxi n LEU 34 Cb 0.50 -0.95 0.00 0.00 0.53 0.00 0.00 43.42 43.50 3gxi n LEU 34 CO 0.50 -1.70 0.00 0.61 -1.11 0.00 0.00 177.39 175.69 3gxi n GLY 35 N 1.88 0.10 3.41 -3.96 0.00 -1.26 -5.06 105.19 100.30 3gxi n GLY 35 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 3gxi n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gxi s THR 36 N -2.00 2.48 0.30 2.61 2.01 -0.28 -0.49 115.64 120.27 3gxi s THR 36 Ca 0.00 -1.42 0.11 0.00 0.31 0.00 0.00 61.69 60.69 3gxi s THR 36 Cb 0.00 -2.05 -0.05 0.00 0.01 0.00 0.00 72.50 70.41 3gxi s THR 36 CO 0.00 0.26 -0.15 0.72 -0.69 0.00 0.00 174.62 174.76 3gxi s PHE 37 N -0.95 2.36 -0.02 4.92 -0.12 0.13 -4.47 117.98 119.84 3gxi s PHE 37 Ca 0.14 -0.37 0.03 0.00 -0.05 0.00 0.00 56.93 56.68 3gxi s PHE 37 Cb -0.10 -1.13 -0.03 0.00 -0.63 0.00 0.00 43.02 41.12 3gxi s PHE 37 CO 0.05 0.67 -0.09 -1.12 -0.05 0.00 0.00 175.22 174.67 3gxi s SER 38 N -3.56 4.42 -0.09 1.98 0.01 -0.32 -1.95 113.70 114.19 3gxi s SER 38 Ca 0.31 -0.16 -0.00 0.00 1.31 0.00 0.00 55.95 57.41 3gxi s SER 38 Cb -0.03 -1.00 0.02 0.00 0.21 0.00 0.00 66.02 65.23 3gxi s SER 38 CO 0.16 0.31 -0.06 -0.60 0.41 0.00 0.00 173.24 173.46 3gxi s ARG 39 N -1.16 1.25 -0.17 12.44 3.52 0.34 -0.90 118.95 134.28 3gxi s ARG 39 Ca 0.15 -0.16 -0.10 0.00 -0.13 0.00 0.00 55.73 55.49 3gxi s ARG 39 Cb -0.11 -1.36 -0.05 0.00 -1.56 0.00 0.00 34.95 31.87 3gxi s ARG 39 CO 0.05 -0.24 0.17 0.71 -0.81 0.00 0.00 175.30 175.17 3gxi s TYR 40 N 1.63 3.48 -0.07 5.12 1.51 0.34 -0.90 117.35 128.46 3gxi s TYR 40 Ca 0.02 0.44 0.01 0.00 -1.01 0.00 0.00 57.07 56.54 3gxi s TYR 40 Cb -0.13 -2.13 0.02 0.00 -0.11 0.00 0.00 41.96 39.60 3gxi s TYR 40 CO -0.06 0.41 -0.09 -2.00 -1.11 0.00 0.00 175.55 172.70 3gxi s GLU 41 N -0.03 1.41 -0.01 -0.62 2.12 0.23 -0.64 118.70 121.16 3gxi s GLU 41 Ca 0.12 -0.29 0.08 0.00 0.36 0.00 0.00 54.97 55.23 3gxi s GLU 41 Cb -0.12 -1.26 -0.02 0.00 0.26 0.00 0.00 34.13 32.99 3gxi s GLU 41 CO 0.01 -0.05 -0.26 -1.12 -0.54 0.00 0.00 175.26 173.30 3gxi s SER 42 N 0.89 3.10 0.07 -1.70 0.01 -0.37 -1.15 113.70 114.54 3gxi s SER 42 Ca -0.11 -0.49 0.04 0.00 1.31 0.00 0.00 55.95 56.71 3gxi s SER 42 Cb -0.15 -0.34 -0.03 0.00 0.21 0.00 0.00 66.02 65.71 3gxi s SER 42 CO 0.01 0.31 -0.13 0.42 0.41 0.00 0.00 173.24 174.26 3gxi s THR 43 N -0.65 0.99 0.27 1.44 -4.23 -0.47 -1.12 115.64 111.86 3gxi s THR 43 Ca 0.10 -1.30 -0.00 0.00 -1.18 0.00 0.00 61.69 59.31 3gxi s THR 43 Cb -0.10 -1.02 0.25 0.00 1.34 0.00 0.00 72.50 72.97 3gxi s THR 43 CO -0.00 -0.29 1.77 -0.09 -0.54 0.00 0.00 174.62 175.46 3gxi h ARG 44 N 4.25 0.63 0.00 3.99 2.43 -1.60 -1.23 114.38 122.85 3gxi h ARG 44 Ca -0.40 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3gxi h ARG 44 Cb 1.19 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3gxi h ARG 44 CO 0.42 0.42 0.02 -1.13 -1.51 0.00 0.00 179.97 178.18 3gxi n SER 45 N -4.85 0.34 0.00 -3.80 3.41 -1.26 -4.51 113.62 102.95 3gxi n SER 45 Ca 0.18 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.44 3gxi n SER 45 Cb 0.44 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 3gxi n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gxi n GLY 46 N -1.37 0.15 3.76 5.00 0.00 -0.47 -5.01 105.19 107.26 3gxi n GLY 46 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3gxi n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gxi s ARG 47 N 0.00 4.45 -0.30 1.61 0.52 -1.21 -4.85 118.95 119.18 3gxi s ARG 47 Ca 0.00 1.93 -0.01 0.00 -0.52 0.00 0.00 55.73 57.12 3gxi s ARG 47 Cb 0.00 -3.06 0.10 0.00 0.52 0.00 0.00 34.95 32.51 3gxi s ARG 47 CO 0.00 0.00 0.10 1.03 0.02 0.00 0.00 175.30 176.45 3gxi s ARG 48 N -1.71 0.63 -1.56 3.54 1.81 -1.25 -1.37 118.95 119.04 3gxi s ARG 48 Ca 0.48 -0.93 -0.08 0.00 -1.72 0.00 0.00 55.73 53.48 3gxi s ARG 48 Cb -0.34 -1.87 0.07 0.00 -0.45 0.00 0.00 34.95 32.37 3gxi s ARG 48 CO 0.44 -0.96 0.53 -1.33 -0.68 0.00 0.00 175.30 173.30 3gxi n MET 49 N 4.93 -2.93 -2.61 3.54 2.81 -0.80 -4.91 117.12 117.16 3gxi n MET 49 Ca -0.03 0.35 -0.41 0.00 -1.81 0.00 0.00 57.70 55.80 3gxi n MET 49 Cb 0.42 -4.66 -0.04 0.00 -0.71 0.00 0.00 33.22 28.23 3gxi n MET 49 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3gxi s GLU 50 N -6.82 4.68 -0.16 0.03 2.02 -0.30 -4.58 118.70 113.57 3gxi s GLU 50 Ca 0.33 1.62 -0.08 0.00 0.02 0.00 0.00 54.97 56.85 3gxi s GLU 50 Cb -0.18 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.71 3gxi s GLU 50 CO 0.92 0.21 0.12 -1.17 0.02 0.00 0.00 175.26 175.36 3gxi s LEU 51 N -0.54 4.23 0.18 1.80 2.96 -1.26 -0.60 118.68 125.46 3gxi s LEU 51 Ca 0.47 0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 54.69 3gxi s LEU 51 Cb -0.27 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 3gxi s LEU 51 CO 0.34 0.30 0.12 -0.94 -1.32 0.00 0.00 176.35 174.84 3gxi s SER 52 N -0.36 0.19 0.09 3.68 1.04 -0.07 -5.00 113.70 113.27 3gxi s SER 52 Ca 0.11 -1.34 0.05 0.00 0.48 0.00 0.00 55.95 55.25 3gxi s SER 52 Cb -0.12 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 3gxi s SER 52 CO 0.01 -0.81 -0.12 -0.04 0.98 0.00 0.00 173.24 173.25 3gxi s MET 53 N -4.13 0.88 0.04 4.02 -1.94 -1.26 -0.51 119.30 116.40 3gxi s MET 53 Ca 0.35 -1.10 -0.01 0.00 -1.71 0.00 0.00 55.69 53.21 3gxi s MET 53 Cb 0.07 -0.72 0.00 0.00 2.01 0.00 0.00 34.83 36.19 3gxi s MET 53 CO 0.09 0.14 0.07 0.41 -0.01 0.00 0.00 175.02 175.73 3gxi n GLY 54 N 0.80 2.19 3.84 -0.03 0.00 -0.82 -4.98 105.19 106.20 3gxi n GLY 54 Ca -0.18 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.35 3gxi n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gxi s PRO 55 N -2.03 4.00 -0.39 1.61 0.04 -1.26 -0.69 135.00 136.28 3gxi s PRO 55 Ca 0.02 0.51 -0.12 0.00 0.04 0.00 0.00 61.00 61.45 3gxi s PRO 55 Cb -0.00 -2.99 0.03 0.00 0.04 0.00 0.00 34.50 31.57 3gxi s PRO 55 CO 0.02 0.52 0.23 0.42 0.04 0.00 0.00 177.00 178.22 3gxi s ILE 56 N -1.39 4.75 0.47 0.56 1.01 0.35 -4.53 121.20 122.41 3gxi s ILE 56 Ca 0.36 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 60.21 3gxi s ILE 56 Cb -0.16 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 3gxi s ILE 56 CO 0.19 -0.27 0.05 -1.58 0.00 0.00 0.00 174.94 173.33 3gxi s GLN 57 N 1.58 2.12 0.31 2.79 2.00 -0.60 -4.67 119.66 123.19 3gxi s GLN 57 Ca 0.03 -2.22 0.15 0.00 -2.00 0.00 0.00 55.36 51.31 3gxi s GLN 57 Cb -0.19 -1.65 0.44 0.00 0.80 0.00 0.00 33.01 32.41 3gxi s GLN 57 CO 0.07 -0.25 1.63 0.00 -0.50 0.00 0.00 175.29 176.24 3gxi h ALA 58 N 1.46 0.90 -2.88 1.58 0.00 -1.87 0.29 119.26 118.73 3gxi h ALA 58 Ca -0.43 -0.47 -0.61 0.00 0.00 0.00 0.00 54.91 53.40 3gxi h ALA 58 Cb 1.28 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 3gxi h ALA 58 CO 0.75 0.64 -0.30 1.21 0.00 0.00 0.00 179.25 181.55 3gxi s ASN 59 N -6.58 6.56 -0.46 0.00 2.47 -1.26 -4.80 114.94 110.87 3gxi s ASN 59 Ca 0.00 0.66 -0.13 0.00 0.42 0.00 0.00 52.86 53.81 3gxi s ASN 59 Cb 0.11 -2.19 0.08 0.00 -1.45 0.00 0.00 41.25 37.80 3gxi s ASN 59 CO 0.73 0.21 0.35 -2.28 -3.72 0.00 0.00 177.10 172.39 3gxi s HIS 60 N -0.25 3.29 -0.55 0.43 5.65 -1.26 -4.77 115.29 117.84 3gxi s HIS 60 Ca 0.19 -1.22 0.21 0.00 0.25 0.00 0.00 55.06 54.48 3gxi s HIS 60 Cb -0.14 -3.14 -0.27 0.00 -1.18 0.00 0.00 32.58 27.85 3gxi s HIS 60 CO 0.07 -0.84 0.69 0.25 -0.65 0.00 0.00 174.74 174.26 3gxi n THR 61 N 5.08 0.00 -2.58 0.89 -2.24 -1.26 -4.96 114.28 109.22 3gxi n THR 61 Ca -0.11 -0.22 -0.34 0.00 -2.27 0.00 0.00 64.05 61.10 3gxi n THR 61 Cb 0.43 0.56 -0.04 0.00 -2.10 0.00 0.00 70.33 69.18 3gxi n THR 61 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3gxi s GLY 62 N -3.59 2.50 0.00 3.38 0.00 -1.26 -4.98 107.32 103.37 3gxi s GLY 62 Ca 0.01 0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.31 3gxi s GLY 62 CO 0.85 0.90 0.75 -1.30 0.00 0.00 0.00 173.10 174.30 3gxi n THR 63 N -0.92 0.55 -1.02 0.90 -2.24 -1.26 -5.04 114.28 105.25 3gxi n THR 63 Ca 0.09 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 3gxi n THR 63 Cb 0.53 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 3gxi n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gxi n GLY 64 N -0.28 1.83 3.68 3.38 0.00 -1.26 -5.03 105.19 107.50 3gxi n GLY 64 Ca 0.00 -1.88 -0.44 0.00 0.00 0.00 0.00 46.02 43.69 3gxi n GLY 64 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3gxi n LEU 65 N 0.00 3.24 -4.25 0.99 7.94 -1.25 -4.85 117.00 118.81 3gxi n LEU 65 Ca 0.00 1.14 -0.32 0.00 -1.11 0.00 0.00 56.01 55.72 3gxi n LEU 65 Cb 0.00 -1.45 -0.16 0.00 0.53 0.00 0.00 43.42 42.34 3gxi n LEU 65 CO 0.00 -0.41 -0.54 -0.22 -1.11 0.00 0.00 177.39 175.11 3gxi s LEU 66 N 0.08 2.20 -0.22 -1.96 2.96 -1.26 -1.70 118.68 118.77 3gxi s LEU 66 Ca 0.68 -0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 54.05 3gxi s LEU 66 Cb -0.63 -1.44 0.00 0.00 0.50 0.00 0.00 46.19 44.62 3gxi s LEU 66 CO 0.49 0.17 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.86 3gxi s LEU 67 N 0.28 2.85 -0.22 -0.68 1.43 0.10 -0.63 118.68 121.82 3gxi s LEU 67 Ca -0.16 -0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 52.38 3gxi s LEU 67 Cb -0.17 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 3gxi s LEU 67 CO 0.08 -0.04 0.02 -0.89 0.23 0.00 0.00 176.35 175.75 3gxi s THR 68 N 1.43 4.05 0.34 5.49 2.01 0.23 -0.60 115.64 128.59 3gxi s THR 68 Ca 0.05 -0.27 -0.29 0.00 0.31 0.00 0.00 61.69 61.49 3gxi s THR 68 Cb -0.14 -2.86 -0.11 0.00 0.01 0.00 0.00 72.50 69.40 3gxi s THR 68 CO -0.05 0.40 1.41 -0.22 -0.69 0.00 0.00 174.62 175.48 3gxi s LEU 69 N 1.23 4.37 -0.54 4.42 0.20 0.52 -1.04 118.68 127.84 3gxi s LEU 69 Ca 0.04 2.86 0.05 0.00 0.69 0.00 0.00 54.13 57.77 3gxi s LEU 69 Cb -0.15 -3.65 0.19 0.00 -0.43 0.00 0.00 46.19 42.15 3gxi s LEU 69 CO 0.02 -0.72 0.46 0.00 -0.29 0.00 0.00 176.35 175.82 3gxi n GLN 70 N 0.86 1.09 0.30 1.98 1.13 -0.06 -4.51 117.38 118.18 3gxi n GLN 70 Ca 0.01 -3.81 0.19 0.00 -1.94 0.00 0.00 57.00 51.45 3gxi n GLN 70 Cb 0.40 -1.90 0.91 0.00 0.11 0.00 0.00 30.24 29.76 3gxi n GLN 70 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 3gxi h PRO 71 N 5.18 0.00 0.00 -1.09 0.13 -1.94 -1.60 132.00 132.68 3gxi h PRO 71 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 3gxi h PRO 71 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3gxi h PRO 71 CO 0.56 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 178.73 3gxi n GLU 72 N -3.13 0.10 -3.23 0.86 -0.58 -1.26 -4.54 120.64 108.87 3gxi n GLU 72 Ca -0.01 0.13 -0.43 0.00 -0.42 0.00 0.00 57.16 56.43 3gxi n GLU 72 Cb 0.21 -1.63 -0.08 0.00 -0.57 0.00 0.00 31.44 29.37 3gxi n GLU 72 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3gxi s GLN 73 N -3.06 3.26 -0.08 3.49 -0.21 -0.64 -5.03 119.66 117.39 3gxi s GLN 73 Ca 0.11 -0.51 0.05 0.00 0.02 0.00 0.00 55.36 55.03 3gxi s GLN 73 Cb 0.15 -3.93 -0.00 0.00 1.00 0.00 0.00 33.01 30.23 3gxi s GLN 73 CO 0.51 -0.87 -0.23 0.15 -2.12 0.00 0.00 175.29 172.74 3gxi s LYS 74 N 2.44 2.63 0.00 2.91 1.02 -1.26 -1.60 119.74 125.88 3gxi s LYS 74 Ca 0.17 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.34 3gxi s LYS 74 Cb -0.16 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 3gxi s LYS 74 CO 0.16 0.24 0.00 1.19 -0.92 0.00 0.00 175.35 176.02 3gxi n PHE 75 N 3.30 0.00 -2.42 3.18 3.01 0.39 -5.00 117.46 119.92 3gxi n PHE 75 Ca -0.19 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 57.95 3gxi n PHE 75 Cb 0.53 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.96 3gxi n PHE 75 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 3gxi s GLN 76 N 4.38 3.95 0.20 -1.08 0.00 -1.26 -4.65 119.66 121.20 3gxi s GLN 76 Ca 0.00 0.98 -0.10 0.00 -0.00 0.00 0.00 55.36 56.24 3gxi s GLN 76 Cb 0.00 -2.14 -0.07 0.00 0.00 0.00 0.00 33.01 30.80 3gxi s GLN 76 CO 0.00 -0.27 0.53 0.15 0.00 0.00 0.00 175.29 175.70 3gxi s LYS 77 N -4.00 3.82 -0.04 9.60 -0.14 -1.26 -1.11 119.74 126.61 3gxi s LYS 77 Ca 0.59 0.28 -0.18 0.00 -1.36 0.00 0.00 55.97 55.31 3gxi s LYS 77 Cb -0.10 -2.73 -0.05 0.00 -1.68 0.00 0.00 37.83 33.27 3gxi s LYS 77 CO 0.30 0.37 0.49 0.08 -0.76 0.00 0.00 175.35 175.83 3gxi s VAL 78 N -1.72 5.03 -0.11 3.17 1.01 0.29 -4.70 120.40 123.37 3gxi s VAL 78 Ca 0.45 1.01 -0.19 0.00 0.00 0.00 0.00 61.98 63.25 3gxi s VAL 78 Cb -0.12 -3.82 -0.27 0.00 0.00 0.00 0.00 36.38 32.17 3gxi s VAL 78 CO 0.21 0.44 0.61 0.50 0.00 0.00 0.00 175.10 176.86 3gxi h LYS 79 N 5.70 0.20 0.00 2.72 1.63 -0.09 0.21 116.57 126.94 3gxi h LYS 79 Ca -0.46 -0.34 0.00 0.00 -0.85 0.00 0.00 60.65 59.00 3gxi h LYS 79 Cb 1.20 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 3gxi h LYS 79 CO 0.69 1.16 0.00 0.41 -3.45 0.00 0.00 179.45 178.27 3gxi n GLY 80 N 1.68 0.04 2.88 5.01 0.00 -1.19 -4.43 105.19 109.18 3gxi n GLY 80 Ca -0.22 -1.58 -0.12 0.00 0.00 0.00 0.00 46.02 44.11 3gxi n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxi s PHE 81 N -2.63 0.02 0.00 1.61 0.40 -1.25 -1.39 117.98 114.73 3gxi s PHE 81 Ca 0.00 -0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.30 3gxi s PHE 81 Cb 0.00 -0.01 0.00 0.00 0.51 0.00 0.00 43.02 43.52 3gxi s PHE 81 CO 0.00 -0.02 0.00 0.41 0.70 0.00 0.00 175.22 176.31 3gxi n GLY 82 N 2.96 2.14 3.80 4.36 0.00 0.90 -1.26 105.19 118.09 3gxi n GLY 82 Ca -0.13 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 3gxi n GLY 82 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gxi s GLY 83 N -0.01 0.43 -0.17 -0.02 0.00 -1.06 -0.29 107.32 106.20 3gxi s GLY 83 Ca 0.00 -0.80 -0.07 0.00 0.00 0.00 0.00 44.72 43.85 3gxi s GLY 83 CO 0.00 -0.34 0.06 0.00 0.00 0.00 0.00 173.10 172.81 3gxi s ALA 84 N -2.17 3.40 -1.36 3.20 0.00 0.61 -1.53 121.76 123.91 3gxi s ALA 84 Ca 0.16 -0.75 -0.12 0.00 0.00 0.00 0.00 51.96 51.26 3gxi s ALA 84 Cb -0.05 -1.88 0.11 0.00 0.00 0.00 0.00 23.12 21.30 3gxi s ALA 84 CO 0.12 0.22 2.03 -0.12 0.00 0.00 0.00 175.76 178.01 3gxi n MET 85 N 3.40 3.25 -1.42 0.00 1.56 -0.48 -1.04 117.12 122.39 3gxi n MET 85 Ca -0.17 -3.10 -0.29 0.00 -0.27 0.00 0.00 57.70 53.87 3gxi n MET 85 Cb 0.52 -3.11 0.14 0.00 2.15 0.00 0.00 33.22 32.92 3gxi n MET 85 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3gxi s THR 86 N 1.81 2.32 0.22 1.12 -4.23 -1.26 -4.49 115.64 111.12 3gxi s THR 86 Ca 0.43 0.10 -0.08 0.00 -1.18 0.00 0.00 61.69 60.97 3gxi s THR 86 Cb 0.11 -2.77 0.16 0.00 1.34 0.00 0.00 72.50 71.34 3gxi s THR 86 CO -0.04 -0.14 1.78 0.44 -0.54 0.00 0.00 174.62 176.13 3gxi h ASP 87 N -1.50 0.46 -0.20 3.99 3.32 -1.93 -1.65 116.42 118.90 3gxi h ASP 87 Ca -0.51 0.05 0.03 0.00 0.02 0.00 0.00 57.03 56.63 3gxi h ASP 87 Cb 1.31 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.81 3gxi h ASP 87 CO 0.60 0.28 0.02 0.00 -1.72 0.00 0.00 179.24 178.41 3gxi h ALA 88 N 1.40 0.19 -0.31 3.45 0.00 -1.70 0.20 119.26 122.49 3gxi h ALA 88 Ca 0.32 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.29 3gxi h ALA 88 Cb 0.31 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3gxi h ALA 88 CO -0.24 -0.41 0.17 0.00 0.00 0.00 0.00 179.25 178.77 3gxi h ALA 89 N 1.15 0.38 -0.12 0.00 0.00 -1.56 -0.27 119.26 118.84 3gxi h ALA 89 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3gxi h ALA 89 Cb 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3gxi h ALA 89 CO -0.13 -0.20 0.04 0.00 0.00 0.00 0.00 179.25 178.96 3gxi h ALA 90 N 1.15 0.16 -0.72 0.00 0.00 -1.01 -0.73 119.26 118.11 3gxi h ALA 90 Ca 0.12 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.04 3gxi h ALA 90 Cb 0.02 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 3gxi h ALA 90 CO -0.07 -0.24 0.32 -0.07 0.00 0.00 0.00 179.25 179.19 3gxi h LEU 91 N 0.03 0.37 -0.39 0.00 3.38 -0.53 0.00 115.31 118.17 3gxi h LEU 91 Ca 0.04 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3gxi h LEU 91 Cb 0.19 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3gxi h LEU 91 CO -0.00 0.19 -0.01 0.78 0.09 0.00 0.00 178.44 179.49 3gxi h ASN 92 N 0.52 0.68 -0.34 -0.43 2.35 -0.56 -2.73 115.58 115.07 3gxi h ASN 92 Ca 0.37 -0.31 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 3gxi h ASN 92 Cb 0.48 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 3gxi h ASN 92 CO -0.33 0.82 0.04 0.40 -1.65 0.00 0.00 177.43 176.72 3gxi h ILE 93 N 0.51 1.24 0.00 2.81 2.04 -0.89 -2.99 117.51 120.24 3gxi h ILE 93 Ca 0.11 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3gxi h ILE 93 Cb 0.48 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 3gxi h ILE 93 CO 0.02 0.29 0.00 0.18 0.00 0.00 0.00 178.15 178.64 3gxi n LEU 94 N -4.57 0.00 -0.00 1.44 4.77 -0.03 -1.69 117.00 116.91 3gxi n LEU 94 Ca -0.02 0.45 0.14 0.00 -0.03 0.00 0.00 56.01 56.55 3gxi n LEU 94 Cb 0.23 -0.45 0.56 0.00 -2.33 0.00 0.00 43.42 41.44 3gxi n LEU 94 CO 0.38 -0.17 0.88 0.00 -1.33 0.00 0.00 177.39 177.15 3gxi n ALA 95 N -1.45 2.54 -1.96 -1.18 0.00 -1.03 -4.83 120.51 112.59 3gxi n ALA 95 Ca 0.05 -0.14 -0.31 0.00 0.00 0.00 0.00 53.44 53.04 3gxi n ALA 95 Cb 0.20 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.22 3gxi n ALA 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gxi s LEU 96 N -2.98 3.50 0.61 0.00 1.43 -0.68 -4.91 118.68 115.66 3gxi s LEU 96 Ca 0.14 1.36 -0.18 0.00 -1.03 0.00 0.00 54.13 54.42 3gxi s LEU 96 Cb 0.19 -4.34 -0.02 0.00 0.03 0.00 0.00 46.19 42.05 3gxi s LEU 96 CO 0.55 -0.67 1.19 -0.94 0.23 0.00 0.00 176.35 176.72 3gxi s SER 97 N -3.65 5.10 0.29 2.29 1.04 -1.26 -4.69 113.70 112.82 3gxi s SER 97 Ca 0.55 2.32 0.03 0.00 0.48 0.00 0.00 55.95 59.32 3gxi s SER 97 Cb -0.10 -2.59 0.68 0.00 0.10 0.00 0.00 66.02 64.11 3gxi s SER 97 CO 0.42 -1.65 1.73 -0.65 0.98 0.00 0.00 173.24 174.06 3gxi h PRO 98 N 0.66 0.50 -0.19 4.02 0.11 -1.96 0.82 132.00 135.97 3gxi h PRO 98 Ca -0.50 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 3gxi h PRO 98 Cb 1.29 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3gxi h PRO 98 CO 0.54 0.33 -0.07 -1.35 -0.21 0.00 0.00 178.00 177.24 3gxi h PRO 99 N 0.52 0.29 -0.29 1.05 0.11 -1.92 -1.89 132.00 129.87 3gxi h PRO 99 Ca 0.54 -0.06 -0.18 0.00 0.11 0.00 0.00 66.00 66.42 3gxi h PRO 99 Cb 0.94 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3gxi h PRO 99 CO -0.46 0.38 -0.51 0.00 -0.21 0.00 0.00 178.00 177.20 3gxi h ALA 100 N 1.66 0.45 -0.71 -0.75 0.00 -1.06 -2.62 119.26 116.23 3gxi h ALA 100 Ca 0.06 -0.50 0.13 0.00 0.00 0.00 0.00 54.91 54.60 3gxi h ALA 100 Cb 0.31 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 3gxi h ALA 100 CO 0.01 0.64 0.27 1.96 0.00 0.00 0.00 179.25 182.13 3gxi h GLN 101 N 0.63 0.42 -0.37 0.00 4.20 -0.76 -1.69 115.11 117.53 3gxi h GLN 101 Ca 0.02 -0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 3gxi h GLN 101 Cb 1.12 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.79 3gxi h GLN 101 CO 0.11 0.28 -0.27 -0.91 -0.67 0.00 0.00 178.83 177.37 3gxi h ASN 102 N 0.43 0.81 -0.17 1.46 2.35 -1.18 -0.59 115.58 118.69 3gxi h ASN 102 Ca 0.38 -0.31 -0.09 0.00 -0.55 0.00 0.00 56.30 55.73 3gxi h ASN 102 Cb 0.54 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 3gxi h ASN 102 CO -0.37 1.03 -0.16 -0.07 -1.65 0.00 0.00 177.43 176.21 3gxi h LEU 103 N 0.67 0.56 -0.01 1.61 3.38 -1.07 -0.14 115.31 120.32 3gxi h LEU 103 Ca 0.08 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3gxi h LEU 103 Cb 0.80 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3gxi h LEU 103 CO 0.07 0.75 -0.00 0.25 0.09 0.00 0.00 178.44 179.59 3gxi h LEU 104 N 0.52 0.01 -0.83 1.67 6.46 -1.02 -1.35 115.31 120.77 3gxi h LEU 104 Ca 0.09 -0.43 0.01 0.00 -0.12 0.00 0.00 57.88 57.43 3gxi h LEU 104 Cb 0.58 -0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.46 3gxi h LEU 104 CO 0.04 0.44 0.55 -0.07 -0.62 0.00 0.00 178.44 178.78 3gxi h LEU 105 N -0.42 0.94 -1.26 2.25 3.38 -1.04 -2.08 115.31 117.08 3gxi h LEU 105 Ca 0.00 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3gxi h LEU 105 Cb 0.44 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3gxi h LEU 105 CO 0.00 0.67 0.09 0.11 0.09 0.00 0.00 178.44 179.40 3gxi h LYS 106 N 1.11 0.60 -0.66 1.13 1.57 -1.01 -0.37 116.57 118.93 3gxi h LYS 106 Ca 0.31 -0.10 0.06 0.00 -1.87 0.00 0.00 60.65 59.04 3gxi h LYS 106 Cb -0.09 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.06 3gxi h LYS 106 CO -0.08 0.56 0.37 0.77 -0.57 0.00 0.00 179.45 180.49 3gxi h SER 107 N 0.58 0.55 0.02 0.86 0.02 -0.54 -2.32 113.55 112.72 3gxi h SER 107 Ca 0.13 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 3gxi h SER 107 Cb 0.24 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3gxi h SER 107 CO -0.00 0.36 -0.17 1.88 -1.14 0.00 0.00 176.83 177.76 3gxi h TYR 108 N 0.68 0.12 0.00 3.45 0.99 -1.23 0.33 116.97 121.31 3gxi h TYR 108 Ca 0.29 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.94 3gxi h TYR 108 Cb 0.17 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 37.90 3gxi h TYR 108 CO -0.08 1.03 -1.47 1.19 -0.00 0.00 0.00 178.16 178.83 3gxi n PHE 109 N -4.53 0.00 -2.30 4.88 3.01 -0.18 -0.75 117.46 117.60 3gxi n PHE 109 Ca -0.11 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.11 3gxi n PHE 109 Cb 0.53 -0.27 0.06 0.00 -0.01 0.00 0.00 39.48 39.80 3gxi n PHE 109 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3gxi s SER 110 N -3.39 4.87 0.53 4.37 1.04 -0.88 -3.58 113.70 116.66 3gxi s SER 110 Ca -0.03 0.33 0.31 0.00 0.48 0.00 0.00 55.95 57.04 3gxi s SER 110 Cb 0.09 -1.01 1.17 0.00 0.10 0.00 0.00 66.02 66.37 3gxi s SER 110 CO 0.58 -1.53 1.91 -0.33 0.98 0.00 0.00 173.24 174.85 3gxi h GLU 111 N -0.47 0.00 0.00 4.02 4.39 -1.86 -0.19 114.58 120.47 3gxi h GLU 111 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 3gxi h GLU 111 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 3gxi h GLU 111 CO 0.58 0.02 0.00 0.39 -1.16 0.00 0.00 179.01 178.83 3gxi n GLU 112 N -3.11 0.51 0.00 2.33 4.71 -1.26 -4.72 120.64 119.10 3gxi n GLU 112 Ca 0.01 0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.18 3gxi n GLU 112 Cb 0.35 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.28 3gxi n GLU 112 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gxi n GLY 113 N 0.97 3.94 0.57 0.62 0.00 -0.10 -1.03 105.19 110.15 3gxi n GLY 113 Ca 0.15 -0.95 0.05 0.00 0.00 0.00 0.00 46.02 45.27 3gxi n GLY 113 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3gxi n ILE 114 N 0.00 1.15 -2.92 -0.61 -5.35 0.10 -4.86 119.36 106.87 3gxi n ILE 114 Ca 0.00 -1.11 -0.15 0.00 -0.27 0.00 0.00 62.75 61.21 3gxi n ILE 114 Cb 0.00 0.41 0.03 0.00 -1.74 0.00 0.00 39.64 38.34 3gxi n ILE 114 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gxi n GLY 115 N 0.24 -0.10 3.68 3.28 0.00 -0.84 -2.20 105.19 109.25 3gxi n GLY 115 Ca 0.11 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3gxi n GLY 115 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxi n TYR 116 N -4.12 1.88 -1.34 1.61 0.53 0.07 -4.79 117.16 111.00 3gxi n TYR 116 Ca -0.05 0.52 0.01 0.00 -1.02 0.00 0.00 57.90 57.37 3gxi n TYR 116 Cb 0.57 -2.34 0.02 0.00 -1.03 0.00 0.00 39.34 36.56 3gxi n TYR 116 CO 0.00 0.00 0.00 0.27 -1.02 0.00 0.00 176.86 176.11 3gxi n ASN 117 N 0.32 0.53 -3.92 7.72 6.94 -0.39 -4.75 115.26 121.70 3gxi n ASN 117 Ca 0.07 -1.83 -0.16 0.00 -0.02 0.00 0.00 54.58 52.64 3gxi n ASN 117 Cb 0.39 -0.15 -0.15 0.00 -2.36 0.00 0.00 39.78 37.52 3gxi n ASN 117 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3gxi s ILE 118 N -0.50 0.37 -0.08 1.53 1.01 -0.95 0.17 121.20 122.75 3gxi s ILE 118 Ca 0.04 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.56 3gxi s ILE 118 Cb 0.04 -0.35 0.01 0.00 0.01 0.00 0.00 42.46 42.17 3gxi s ILE 118 CO 0.00 0.13 -0.13 -0.63 0.00 0.00 0.00 174.94 174.31 3gxi s ILE 119 N 0.18 1.28 -0.09 2.92 1.01 -0.61 -2.55 121.20 123.35 3gxi s ILE 119 Ca -0.02 -0.54 -0.14 0.00 0.00 0.00 0.00 60.65 59.95 3gxi s ILE 119 Cb -0.05 -1.17 -0.05 0.00 0.01 0.00 0.00 42.46 41.19 3gxi s ILE 119 CO -0.00 0.39 0.35 -0.60 0.00 0.00 0.00 174.94 175.08 3gxi s ARG 120 N 0.84 4.06 -0.20 2.79 3.52 -0.58 -1.17 118.95 128.20 3gxi s ARG 120 Ca -0.11 0.25 0.01 0.00 -0.13 0.00 0.00 55.73 55.75 3gxi s ARG 120 Cb -0.15 -3.32 0.04 0.00 -1.56 0.00 0.00 34.95 29.95 3gxi s ARG 120 CO 0.01 0.45 -0.11 0.08 -0.81 0.00 0.00 175.30 174.93 3gxi s VAL 121 N -0.25 1.71 0.35 7.11 1.01 0.12 -1.38 120.40 129.07 3gxi s VAL 121 Ca 0.21 -1.05 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 3gxi s VAL 121 Cb -0.15 -1.77 -0.11 0.00 0.00 0.00 0.00 36.38 34.36 3gxi s VAL 121 CO 0.09 0.18 1.50 -2.84 0.00 0.00 0.00 175.10 174.02 3gxi s PRO 122 N 1.37 4.13 -0.56 2.72 0.02 -1.26 -2.27 135.00 139.14 3gxi s PRO 122 Ca -0.01 2.55 -0.23 0.00 0.02 0.00 0.00 61.00 63.32 3gxi s PRO 122 Cb -0.16 -2.99 0.05 0.00 0.02 0.00 0.00 34.50 31.42 3gxi s PRO 122 CO -0.08 -0.53 0.90 -1.64 -0.33 0.00 0.00 177.00 175.31 3gxi s MET 123 N -1.72 3.27 3.29 5.54 -1.94 0.06 -4.84 119.30 122.96 3gxi s MET 123 Ca 0.55 -0.44 0.00 0.00 -1.71 0.00 0.00 55.69 54.09 3gxi s MET 123 Cb -0.46 -4.08 0.00 0.00 2.01 0.00 0.00 34.83 32.29 3gxi s MET 123 CO 0.59 -1.49 0.00 0.00 -0.01 0.00 0.00 175.02 174.11 3gxi n ALA 124 N 7.31 0.00 -1.94 3.03 0.00 -1.26 -4.22 120.51 123.43 3gxi n ALA 124 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.09 3gxi n ALA 124 Cb 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 3gxi n ALA 124 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gxi s SER 125 N -4.00 7.02 0.00 0.00 1.04 -1.18 -4.93 113.70 111.65 3gxi s SER 125 Ca 0.00 1.57 0.00 0.00 0.48 0.00 0.00 55.95 58.00 3gxi s SER 125 Cb 0.00 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.63 3gxi s SER 125 CO 0.00 -0.17 0.00 0.00 0.98 0.00 0.00 173.24 174.05 3gxi h ASP 127 N 0.00 0.18 -0.84 0.00 2.03 -1.96 -2.98 116.42 112.85 3gxi h ASP 127 Ca 0.00 -0.05 -0.65 0.00 -0.73 0.00 0.00 57.03 55.61 3gxi h ASP 127 Cb 0.00 -0.05 -0.10 0.00 -0.83 0.00 0.00 39.33 38.35 3gxi h ASP 127 CO 0.00 0.41 2.13 0.49 -1.03 0.00 0.00 179.24 181.24 3gxi n PHE 128 N -4.21 2.20 -4.12 4.15 3.01 -1.26 -1.57 117.46 115.66 3gxi n PHE 128 Ca -0.01 -2.62 -0.08 0.00 1.01 0.00 0.00 57.45 55.74 3gxi n PHE 128 Cb 0.32 -1.86 -0.10 0.00 -0.01 0.00 0.00 39.48 37.83 3gxi n PHE 128 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3gxi s SER 129 N 0.81 0.56 0.00 4.37 0.01 -1.13 -2.12 113.70 116.21 3gxi s SER 129 Ca 0.59 -1.06 0.24 0.00 1.31 0.00 0.00 55.95 57.02 3gxi s SER 129 Cb 0.23 0.21 0.22 0.00 0.21 0.00 0.00 66.02 66.89 3gxi s SER 129 CO -0.11 -0.62 1.25 2.30 0.41 0.00 0.00 173.24 176.48 3gxi n ILE 130 N 0.02 0.00 -3.89 1.44 -5.35 -1.26 -2.75 119.36 107.57 3gxi n ILE 130 Ca -0.11 -0.35 -0.09 0.00 -0.27 0.00 0.00 62.75 61.92 3gxi n ILE 130 Cb 0.62 1.24 -0.04 0.00 -1.74 0.00 0.00 39.64 39.71 3gxi n ILE 130 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3gxi s ARG 131 N -2.23 1.51 -0.08 6.28 1.70 -1.26 -4.91 118.95 119.97 3gxi s ARG 131 Ca 0.25 -1.09 -0.11 0.00 -0.47 0.00 0.00 55.73 54.31 3gxi s ARG 131 Cb 0.19 0.50 -0.05 0.00 -0.57 0.00 0.00 34.95 35.03 3gxi s ARG 131 CO 0.43 -0.64 0.28 0.95 -1.08 0.00 0.00 175.30 175.24 3gxi s THR 132 N -3.95 5.27 0.01 4.99 -4.23 -1.26 -4.78 115.64 111.68 3gxi s THR 132 Ca 0.16 0.53 -0.28 0.00 -1.18 0.00 0.00 61.69 60.92 3gxi s THR 132 Cb -0.01 -3.57 0.09 0.00 1.34 0.00 0.00 72.50 70.35 3gxi s THR 132 CO 0.04 0.57 0.79 -0.72 -0.54 0.00 0.00 174.62 174.76 3gxi s TYR 133 N -0.80 -0.45 0.37 3.99 -0.85 -1.26 -5.06 117.35 113.28 3gxi s TYR 133 Ca 0.19 0.45 0.03 0.00 -0.52 0.00 0.00 57.07 57.22 3gxi s TYR 133 Cb -0.14 0.51 -0.01 0.00 0.38 0.00 0.00 41.96 42.70 3gxi s TYR 133 CO 0.08 -0.61 0.09 0.25 -1.52 0.00 0.00 175.55 173.84 3gxi n THR 134 N 0.04 0.00 0.97 -3.49 -2.24 -1.26 -3.11 114.28 105.19 3gxi n THR 134 Ca -0.13 -2.03 0.13 0.00 -2.27 0.00 0.00 64.05 59.75 3gxi n THR 134 Cb 0.61 0.64 0.44 0.00 -2.10 0.00 0.00 70.33 69.93 3gxi n THR 134 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3gxi n TYR 135 N -0.86 0.06 -3.17 4.78 0.53 -1.26 -4.24 117.16 113.00 3gxi n TYR 135 Ca -0.08 0.02 -0.19 0.00 -1.02 0.00 0.00 57.90 56.63 3gxi n TYR 135 Cb 0.53 -0.42 -0.03 0.00 -1.03 0.00 0.00 39.34 38.38 3gxi n TYR 135 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3gxi n ALA 136 N -1.53 1.95 0.39 -0.72 0.00 -1.26 -0.54 120.51 118.80 3gxi n ALA 136 Ca 0.06 -3.31 0.13 0.00 0.00 0.00 0.00 53.44 50.33 3gxi n ALA 136 Cb 0.35 -0.92 0.37 0.00 0.00 0.00 0.00 19.45 19.25 3gxi n ALA 136 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3gxi h ASP 137 N 3.22 0.00 -2.56 0.00 3.32 -1.89 -3.44 116.42 115.07 3gxi h ASP 137 Ca 0.08 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.58 3gxi h ASP 137 Cb 0.96 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 3gxi h ASP 137 CO 0.48 0.00 1.17 -0.89 -1.72 0.00 0.00 179.24 178.27 3gxi s THR 138 N -3.26 3.48 0.82 0.35 2.01 -1.26 -4.95 115.64 112.82 3gxi s THR 138 Ca 0.07 0.56 -0.12 0.00 0.31 0.00 0.00 61.69 62.51 3gxi s THR 138 Cb 0.09 -3.43 0.09 0.00 0.01 0.00 0.00 72.50 69.26 3gxi s THR 138 CO 0.59 -0.13 1.15 -2.84 -0.69 0.00 0.00 174.62 172.70 3gxi s PRO 139 N 4.56 1.66 -1.47 4.92 0.02 -1.26 -3.91 135.00 139.52 3gxi s PRO 139 Ca 0.78 1.52 -0.02 0.00 0.02 0.00 0.00 61.00 63.30 3gxi s PRO 139 Cb -0.32 -1.80 0.02 0.00 0.02 0.00 0.00 34.50 32.42 3gxi s PRO 139 CO 0.32 -2.15 0.35 -0.25 -0.33 0.00 0.00 177.00 174.94 3gxi n ASP 140 N -3.60 -0.26 -3.42 2.53 8.00 -1.26 -4.89 116.55 113.65 3gxi n ASP 140 Ca 0.12 -1.07 -0.31 0.00 0.71 0.00 0.00 54.79 54.23 3gxi n ASP 140 Cb 0.52 -2.67 -0.04 0.00 -0.02 0.00 0.00 41.12 38.90 3gxi n ASP 140 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gxi n ASP 141 N -2.93 4.83 0.20 -2.24 2.03 -1.25 -4.92 116.55 112.27 3gxi n ASP 141 Ca -0.28 -3.53 0.06 0.00 0.52 0.00 0.00 54.79 51.55 3gxi n ASP 141 Cb 0.67 -0.80 0.42 0.00 -0.72 0.00 0.00 41.12 40.69 3gxi n ASP 141 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 3gxi h PHE 142 N 4.08 0.00 -0.03 -0.67 -1.00 -1.93 0.48 116.94 117.86 3gxi h PHE 142 Ca 0.22 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.00 3gxi h PHE 142 Cb 0.57 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.13 3gxi h PHE 142 CO 0.87 0.33 0.00 1.04 -1.61 0.00 0.00 178.31 178.94 3gxi n GLN 143 N -3.76 1.28 -3.83 1.51 1.13 -1.26 -4.69 117.38 107.76 3gxi n GLN 143 Ca -0.01 -0.41 -0.24 0.00 -1.94 0.00 0.00 57.00 54.39 3gxi n GLN 143 Cb 0.42 -1.43 0.01 0.00 0.11 0.00 0.00 30.24 29.36 3gxi n GLN 143 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3gxi n LEU 144 N -0.45 -2.72 0.18 1.08 4.77 0.17 -4.88 117.00 115.14 3gxi n LEU 144 Ca 0.19 -0.87 0.05 0.00 -0.03 0.00 0.00 56.01 55.35 3gxi n LEU 144 Cb 0.19 -2.50 0.32 0.00 -2.33 0.00 0.00 43.42 39.10 3gxi n LEU 144 CO 0.15 0.42 0.66 0.45 -1.33 0.00 0.00 177.39 177.74 3gxi h HIS 145 N -1.88 0.00 -0.40 -1.77 3.86 -1.93 -3.07 115.15 109.96 3gxi h HIS 145 Ca -0.61 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.60 3gxi h HIS 145 Cb 1.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.84 3gxi h HIS 145 CO 0.49 0.40 0.00 0.09 0.86 0.00 0.00 177.93 179.77 3gxi n ASN 146 N -3.59 2.23 -4.69 2.45 4.13 -1.26 -4.94 115.26 109.59 3gxi n ASN 146 Ca -0.00 -1.97 -0.42 0.00 1.68 0.00 0.00 54.58 53.86 3gxi n ASN 146 Cb 0.51 -0.26 -0.03 0.00 -1.54 0.00 0.00 39.78 38.46 3gxi n ASN 146 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3gxi s PHE 147 N -1.47 2.12 0.04 3.10 5.36 -1.16 -4.72 117.98 121.25 3gxi s PHE 147 Ca 0.29 -0.05 -0.16 0.00 -0.96 0.00 0.00 56.93 56.05 3gxi s PHE 147 Cb 0.15 -4.19 0.03 0.00 -0.34 0.00 0.00 43.02 38.67 3gxi s PHE 147 CO 0.20 -4.93 0.35 -1.54 -1.46 0.00 0.00 175.22 167.85 3gxi s SER 148 N 2.76 -0.20 -0.15 6.13 1.04 0.30 -5.02 113.70 118.56 3gxi s SER 148 Ca 0.81 -0.10 -0.24 0.00 0.48 0.00 0.00 55.95 56.90 3gxi s SER 148 Cb -0.46 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.02 3gxi s SER 148 CO 0.37 -0.63 0.78 -0.76 0.98 0.00 0.00 173.24 173.97 3gxi s LEU 149 N -2.02 4.21 0.00 2.42 1.43 -1.26 -4.58 118.68 118.88 3gxi s LEU 149 Ca -0.05 1.14 -0.08 0.00 -1.03 0.00 0.00 54.13 54.11 3gxi s LEU 149 Cb -0.01 -3.16 0.11 0.00 0.03 0.00 0.00 46.19 43.16 3gxi s LEU 149 CO -0.03 -0.32 0.64 -0.81 0.23 0.00 0.00 176.35 176.07 3gxi n PRO 150 N 4.85 -0.76 0.17 1.29 -0.04 -1.26 -4.77 135.00 134.48 3gxi n PRO 150 Ca 0.02 -0.99 0.03 0.00 -0.04 0.00 0.00 63.50 62.52 3gxi n PRO 150 Cb 0.50 -0.68 0.41 0.00 -0.04 0.00 0.00 33.50 33.68 3gxi n PRO 150 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3gxi h GLU 151 N 0.00 0.10 -0.67 0.54 4.81 -1.97 -1.60 114.58 115.80 3gxi h GLU 151 Ca -0.21 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.08 3gxi h GLU 151 Cb 0.58 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.88 3gxi h GLU 151 CO 0.15 0.32 0.31 0.93 -0.73 0.00 0.00 179.01 179.99 3gxi h GLU 152 N 0.10 0.53 0.24 1.92 3.07 -1.96 0.45 114.58 118.93 3gxi h GLU 152 Ca 0.02 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 3gxi h GLU 152 Cb 0.44 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 3gxi h GLU 152 CO 0.03 0.35 -0.11 -0.44 -1.40 0.00 0.00 179.01 177.44 3gxi h ASP 153 N 0.55 -0.27 0.35 1.42 3.32 -1.83 0.67 116.42 120.63 3gxi h ASP 153 Ca 0.33 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.16 3gxi h ASP 153 Cb 0.35 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3gxi h ASP 153 CO -0.27 0.23 -0.46 0.71 -1.72 0.00 0.00 179.24 177.73 3gxi h THR 154 N -1.04 1.33 0.00 0.35 1.35 -1.20 -0.02 112.91 113.68 3gxi h THR 154 Ca -0.03 -1.62 -0.37 0.00 -0.55 0.00 0.00 66.41 63.84 3gxi h THR 154 Cb 0.36 1.80 -0.07 0.00 -1.73 0.00 0.00 68.15 68.51 3gxi h THR 154 CO 0.05 0.47 -2.40 1.17 -0.25 0.00 0.00 175.52 174.57 3gxi n LYS 155 N -3.99 0.68 -0.00 4.72 4.81 0.16 -4.49 118.16 120.05 3gxi n LYS 155 Ca -0.02 0.02 -0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3gxi n LYS 155 Cb 0.50 -1.52 -0.00 0.00 0.02 0.00 0.00 35.03 34.02 3gxi n LYS 155 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3gxi n LEU 156 N -2.84 0.12 0.03 3.14 4.77 -0.96 -4.63 117.00 116.63 3gxi n LEU 156 Ca -0.35 0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.53 3gxi n LEU 156 Cb 1.13 -0.43 -0.08 0.00 -2.33 0.00 0.00 43.42 41.71 3gxi n LEU 156 CO 0.40 -0.49 0.77 0.11 -1.33 0.00 0.00 177.39 176.85 3gxi h LYS 157 N -0.05 -0.02 0.15 3.23 1.57 -0.83 -3.06 116.57 117.55 3gxi h LYS 157 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3gxi h LYS 157 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3gxi h LYS 157 CO 0.00 0.18 -0.07 0.82 -0.57 0.00 0.00 179.45 179.81 3gxi h ILE 158 N -0.21 0.94 -0.47 1.86 2.04 -1.22 -0.83 117.51 119.61 3gxi h ILE 158 Ca -0.00 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3gxi h ILE 158 Cb 0.20 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3gxi h ILE 158 CO 0.00 0.09 0.31 -0.65 0.00 0.00 0.00 178.15 177.90 3gxi h PRO 159 N -0.37 0.63 -0.52 2.37 0.11 -1.79 -0.83 132.00 131.60 3gxi h PRO 159 Ca -0.02 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.00 3gxi h PRO 159 Cb 0.30 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 3gxi h PRO 159 CO 0.03 0.42 0.13 -0.07 -0.21 0.00 0.00 178.00 178.31 3gxi h LEU 160 N 0.64 0.78 -0.43 2.35 3.38 -1.41 -0.84 115.31 119.80 3gxi h LEU 160 Ca 0.17 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3gxi h LEU 160 Cb -0.06 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3gxi h LEU 160 CO -0.04 0.81 0.23 0.40 0.09 0.00 0.00 178.44 179.93 3gxi h ILE 161 N 0.72 1.00 -0.58 1.22 2.04 -0.72 0.83 117.51 122.02 3gxi h ILE 161 Ca 0.16 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.92 3gxi h ILE 161 Cb 0.32 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 3gxi h ILE 161 CO 0.00 0.08 0.31 0.45 0.00 0.00 0.00 178.15 178.99 3gxi h HIS 162 N 0.46 0.56 -0.50 1.37 3.86 -0.90 -0.97 115.15 119.03 3gxi h HIS 162 Ca 0.18 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.32 3gxi h HIS 162 Cb 0.06 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 3gxi h HIS 162 CO -0.09 0.27 -0.07 0.00 0.86 0.00 0.00 177.93 178.90 3gxi h ARG 163 N 0.58 0.90 -0.15 2.45 3.08 -0.86 -1.98 114.38 118.40 3gxi h ARG 163 Ca 0.26 -0.30 0.04 0.00 0.07 0.00 0.00 59.98 60.05 3gxi h ARG 163 Cb 0.16 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 3gxi h ARG 163 CO -0.17 0.94 -0.08 0.00 -1.07 0.00 0.00 179.97 179.58 3gxi h ALA 164 N 1.10 0.04 -0.61 0.04 0.00 -0.13 -2.22 119.26 117.47 3gxi h ALA 164 Ca 0.14 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3gxi h ALA 164 Cb 0.59 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3gxi h ALA 164 CO 0.04 -0.53 0.13 -0.07 0.00 0.00 0.00 179.25 178.82 3gxi h LEU 165 N -0.08 0.92 -1.15 0.00 3.38 -1.01 -1.30 115.31 116.08 3gxi h LEU 165 Ca 0.08 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3gxi h LEU 165 Cb 0.20 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3gxi h LEU 165 CO -0.19 0.91 0.06 -0.61 0.09 0.00 0.00 178.44 178.69 3gxi h GLN 166 N 0.93 0.65 -0.02 1.13 4.15 -1.24 -2.92 115.11 117.79 3gxi h GLN 166 Ca 0.19 -0.13 -0.21 0.00 0.77 0.00 0.00 58.65 59.27 3gxi h GLN 166 Cb 0.36 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.95 3gxi h GLN 166 CO 0.00 0.63 -0.87 -0.07 -1.93 0.00 0.00 178.83 176.59 3gxi h LEU 167 N 0.63 0.46 -9.55 -2.39 3.38 -0.81 -3.45 115.31 103.57 3gxi h LEU 167 Ca 0.14 -0.35 -0.53 0.00 0.09 0.00 0.00 57.88 57.23 3gxi h LEU 167 Cb 0.31 -0.14 0.03 0.00 0.09 0.00 0.00 40.66 40.94 3gxi h LEU 167 CO 0.00 1.14 0.73 0.00 0.09 0.00 0.00 178.44 180.40 3gxi s ALA 168 N -3.35 3.60 -0.02 1.53 0.00 -0.54 -4.33 121.76 118.65 3gxi s ALA 168 Ca -0.05 1.13 -0.22 0.00 0.00 0.00 0.00 51.96 52.82 3gxi s ALA 168 Cb 0.09 -3.54 -0.23 0.00 0.00 0.00 0.00 23.12 19.45 3gxi s ALA 168 CO 0.85 -0.62 1.09 1.96 0.00 0.00 0.00 175.76 179.04 3gxi h GLN 169 N 6.74 0.30 -6.90 0.00 4.20 -1.86 -3.45 115.11 114.15 3gxi h GLN 169 Ca -0.42 -0.31 -0.53 0.00 0.06 0.00 0.00 58.65 57.45 3gxi h GLN 169 Cb 1.21 0.08 0.08 0.00 0.30 0.00 0.00 27.48 29.15 3gxi h GLN 169 CO 0.86 0.99 0.69 1.03 -0.67 0.00 0.00 178.83 181.74 3gxi s ARG 170 N -3.27 4.27 0.26 1.46 0.52 -1.26 -4.98 118.95 115.95 3gxi s ARG 170 Ca -0.14 2.34 -0.31 0.00 -0.52 0.00 0.00 55.73 57.10 3gxi s ARG 170 Cb 0.03 -3.04 -0.12 0.00 0.52 0.00 0.00 34.95 32.33 3gxi s ARG 170 CO 0.78 -0.31 1.57 -2.30 0.02 0.00 0.00 175.30 175.05 3gxi n PRO 171 N 0.75 2.52 -3.96 3.54 -0.02 -1.26 -4.97 135.00 131.61 3gxi n PRO 171 Ca 0.01 0.90 -0.35 0.00 -2.02 0.00 0.00 63.50 62.04 3gxi n PRO 171 Cb 0.41 -2.66 -0.09 0.00 -0.02 0.00 0.00 33.50 31.14 3gxi n PRO 171 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gxi s VAL 172 N 0.18 5.00 -0.17 -1.45 1.01 -1.26 -4.81 120.40 118.89 3gxi s VAL 172 Ca 0.67 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.60 3gxi s VAL 172 Cb -0.54 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 3gxi s VAL 172 CO 0.46 0.49 0.13 -0.44 0.00 0.00 0.00 175.10 175.74 3gxi s SER 173 N 0.03 6.22 -0.14 3.32 0.01 0.13 -4.96 113.70 118.30 3gxi s SER 173 Ca 0.07 0.30 -0.07 0.00 1.31 0.00 0.00 55.95 57.56 3gxi s SER 173 Cb -0.12 -2.06 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 3gxi s SER 173 CO 0.00 0.26 0.12 -0.76 0.41 0.00 0.00 173.24 173.27 3gxi s LEU 174 N -0.15 4.21 -0.12 2.44 1.43 -1.26 -1.57 118.68 123.66 3gxi s LEU 174 Ca 0.10 0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.56 3gxi s LEU 174 Cb -0.11 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 44.09 3gxi s LEU 174 CO 0.00 0.34 -0.12 -0.22 0.23 0.00 0.00 176.35 176.58 3gxi s LEU 175 N -0.62 1.52 0.06 1.79 2.96 -0.32 -0.30 118.68 123.77 3gxi s LEU 175 Ca 0.12 -0.39 0.03 0.00 -0.22 0.00 0.00 54.13 53.68 3gxi s LEU 175 Cb -0.12 -1.00 -0.04 0.00 0.50 0.00 0.00 46.19 45.53 3gxi s LEU 175 CO 0.02 -0.05 0.03 0.00 -1.32 0.00 0.00 176.35 175.03 3gxi s ALA 176 N 1.35 3.39 -0.10 5.97 0.00 -0.50 0.12 121.76 131.99 3gxi s ALA 176 Ca 0.00 -1.03 -0.06 0.00 0.00 0.00 0.00 51.96 50.87 3gxi s ALA 176 Cb -0.14 -1.32 0.04 0.00 0.00 0.00 0.00 23.12 21.70 3gxi s ALA 176 CO -0.06 0.70 0.23 -1.12 0.00 0.00 0.00 175.76 175.51 3gxi s SER 177 N -2.12 -0.24 0.16 0.00 0.01 -0.96 -0.92 113.70 109.62 3gxi s SER 177 Ca 0.25 0.49 -0.06 0.00 1.31 0.00 0.00 55.95 57.94 3gxi s SER 177 Cb -0.12 0.40 -0.06 0.00 0.21 0.00 0.00 66.02 66.46 3gxi s SER 177 CO 0.17 -0.14 0.41 -2.16 0.41 0.00 0.00 173.24 171.94 3gxi s PRO 178 N 0.94 3.66 -0.21 12.44 0.04 -1.26 -0.76 135.00 149.84 3gxi s PRO 178 Ca -0.07 -0.01 -0.16 0.00 0.04 0.00 0.00 61.00 60.80 3gxi s PRO 178 Cb -0.08 -2.80 -0.10 0.00 0.04 0.00 0.00 34.50 31.56 3gxi s PRO 178 CO -0.06 0.43 -0.23 0.91 0.04 0.00 0.00 177.00 178.10 3gxi n TRP 179 N 0.02 0.33 -4.29 0.56 8.01 -1.26 -0.74 117.44 120.07 3gxi n TRP 179 Ca -0.02 0.14 -0.19 0.00 -1.31 0.00 0.00 57.50 56.12 3gxi n TRP 179 Cb 0.52 -0.82 -0.11 0.00 -2.01 0.00 0.00 31.31 28.88 3gxi n TRP 179 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.69 176.60 3gxi s THR 180 N -2.57 1.57 0.64 -0.99 -1.32 -1.26 -2.51 115.64 109.20 3gxi s THR 180 Ca -0.30 -1.87 -0.05 0.00 -1.21 0.00 0.00 61.69 58.27 3gxi s THR 180 Cb 0.08 -1.73 0.04 0.00 -1.51 0.00 0.00 72.50 69.38 3gxi s THR 180 CO 0.44 -0.41 0.93 -0.94 -2.21 0.00 0.00 174.62 172.44 3gxi s SER 181 N -2.66 5.09 0.20 8.08 1.04 -1.26 -4.98 113.70 119.21 3gxi s SER 181 Ca 0.13 0.40 -0.31 0.00 0.48 0.00 0.00 55.95 56.66 3gxi s SER 181 Cb -0.04 -1.18 -0.16 0.00 0.10 0.00 0.00 66.02 64.73 3gxi s SER 181 CO 0.05 -1.37 0.92 -2.65 0.98 0.00 0.00 173.24 171.17 3gxi n PRO 182 N -2.71 0.76 0.24 4.02 -0.02 -1.26 -4.84 135.00 131.20 3gxi n PRO 182 Ca 0.07 0.27 0.16 0.00 -2.02 0.00 0.00 63.50 61.98 3gxi n PRO 182 Cb 0.60 -1.59 0.63 0.00 -0.02 0.00 0.00 33.50 33.13 3gxi n PRO 182 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3gxi h THR 183 N 2.01 0.00 0.00 3.45 1.35 -1.90 -1.75 112.91 116.08 3gxi h THR 183 Ca -0.38 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 3gxi h THR 183 Cb 1.38 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 3gxi h THR 183 CO 0.63 0.00 0.00 -2.67 -0.25 0.00 0.00 175.52 173.23 3gxi n TRP 184 N -2.89 0.00 1.37 4.73 4.27 -1.26 -1.81 117.44 121.84 3gxi n TRP 184 Ca 0.01 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.75 3gxi n TRP 184 Cb 0.29 -0.46 0.43 0.00 -1.36 0.00 0.00 31.31 30.21 3gxi n TRP 184 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 3gxi n LEU 185 N -1.46 1.54 -4.69 5.67 4.77 -0.66 -4.93 117.00 117.24 3gxi n LEU 185 Ca 0.07 -0.50 -0.32 0.00 -0.03 0.00 0.00 56.01 55.23 3gxi n LEU 185 Cb 0.26 -0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.23 3gxi n LEU 185 CO 0.21 0.26 -0.32 -0.54 -1.33 0.00 0.00 177.39 175.67 3gxi s LYS 186 N -2.15 2.73 0.25 3.23 1.02 -0.75 -0.92 119.74 123.15 3gxi s LYS 186 Ca 0.33 -0.67 -0.04 0.00 0.02 0.00 0.00 55.97 55.60 3gxi s LYS 186 Cb 0.20 -2.64 0.41 0.00 -0.52 0.00 0.00 37.83 35.28 3gxi s LYS 186 CO 0.39 0.60 1.80 1.79 -0.92 0.00 0.00 175.35 179.01 3gxi h THR 187 N 3.29 0.89 -0.02 2.17 1.35 -0.67 -2.84 112.91 117.08 3gxi h THR 187 Ca -0.48 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 3gxi h THR 187 Cb 1.17 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 3gxi h THR 187 CO 0.59 0.14 -0.07 -0.46 -0.25 0.00 0.00 175.52 175.47 3gxi n ASN 188 N -4.76 2.24 -2.77 5.36 6.94 -1.26 -4.97 115.26 116.04 3gxi n ASN 188 Ca 0.14 -1.70 -0.20 0.00 -0.02 0.00 0.00 54.58 52.80 3gxi n ASN 188 Cb 0.29 0.06 0.01 0.00 -2.36 0.00 0.00 39.78 37.77 3gxi n ASN 188 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gxi n GLY 189 N 1.30 -0.51 3.09 4.83 0.00 -1.07 -4.97 105.19 107.85 3gxi n GLY 189 Ca 0.15 0.06 -0.07 0.00 0.00 0.00 0.00 46.02 46.16 3gxi n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxi s ALA 190 N -2.96 0.45 -0.12 4.61 0.00 -1.26 -4.89 121.76 117.59 3gxi s ALA 190 Ca 0.17 -1.14 0.26 0.00 0.00 0.00 0.00 51.96 51.25 3gxi s ALA 190 Cb -0.08 0.27 0.77 0.00 0.00 0.00 0.00 23.12 24.08 3gxi s ALA 190 CO 0.20 -0.36 1.76 -0.39 0.00 0.00 0.00 175.76 176.98 3gxi h VAL 191 N 3.25 0.20 -1.50 0.00 -1.51 -1.92 -3.44 116.25 111.32 3gxi h VAL 191 Ca -0.34 -0.99 0.00 0.00 -1.23 0.00 0.00 66.70 64.14 3gxi h VAL 191 Cb 1.15 1.84 0.00 0.00 -2.13 0.00 0.00 31.29 32.14 3gxi h VAL 191 CO 0.64 0.10 0.00 -0.46 -1.23 0.00 0.00 177.57 176.61 3gxi n ASN 192 N -3.17 0.64 -1.04 4.19 6.94 -1.26 -2.06 115.26 119.50 3gxi n ASN 192 Ca 0.02 0.00 0.09 0.00 -0.02 0.00 0.00 54.58 54.67 3gxi n ASN 192 Cb 0.46 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.85 3gxi n ASN 192 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gxi n GLY 193 N 2.14 -1.61 3.62 4.83 0.00 0.89 -4.71 105.19 110.34 3gxi n GLY 193 Ca 0.00 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 3gxi n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gxi s LYS 194 N -1.16 3.72 -0.29 1.61 2.20 -1.23 -4.57 119.74 120.02 3gxi s LYS 194 Ca 0.00 1.30 -0.29 0.00 -0.36 0.00 0.00 55.97 56.62 3gxi s LYS 194 Cb 0.00 -4.00 0.19 0.00 -1.51 0.00 0.00 37.83 32.51 3gxi s LYS 194 CO 0.00 -1.38 1.38 0.20 -0.36 0.00 0.00 175.35 175.19 3gxi s GLY 195 N 3.91 0.12 0.18 5.54 0.00 -0.47 -4.61 107.32 111.99 3gxi s GLY 195 Ca 0.65 2.91 0.02 0.00 0.00 0.00 0.00 44.72 48.30 3gxi s GLY 195 CO 0.29 1.17 0.08 1.44 0.00 0.00 0.00 173.10 176.08 3gxi n SER 196 N 0.58 0.77 -4.77 1.64 7.64 -1.26 -0.52 113.62 117.69 3gxi n SER 196 Ca -0.01 -2.00 -0.35 0.00 1.01 0.00 0.00 58.87 57.52 3gxi n SER 196 Cb 0.59 0.54 0.01 0.00 -1.01 0.00 0.00 64.21 64.34 3gxi n SER 196 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3gxi s LEU 197 N 0.00 3.73 0.50 -3.43 1.43 -1.26 -0.02 118.68 119.64 3gxi s LEU 197 Ca 0.11 2.21 -0.19 0.00 -1.03 0.00 0.00 54.13 55.23 3gxi s LEU 197 Cb 0.01 -4.58 -0.08 0.00 0.03 0.00 0.00 46.19 41.56 3gxi s LEU 197 CO 0.08 -1.28 1.03 -0.54 0.23 0.00 0.00 176.35 175.87 3gxi s LYS 198 N -3.30 3.76 3.68 1.70 1.02 -0.09 -4.52 119.74 121.99 3gxi s LYS 198 Ca 0.73 1.30 0.00 0.00 0.02 0.00 0.00 55.97 58.02 3gxi s LYS 198 Cb -0.25 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 3gxi s LYS 198 CO 0.28 -0.45 0.00 0.41 -0.92 0.00 0.00 175.35 174.66 3gxi n GLY 199 N -0.46 0.11 3.16 -3.33 0.00 -1.26 -4.47 105.19 98.94 3gxi n GLY 199 Ca 0.09 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 3gxi n GLY 199 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gxi s GLN 200 N 0.00 0.63 0.22 1.61 -1.52 -1.26 -5.08 119.66 114.25 3gxi s GLN 200 Ca 0.00 -0.51 -0.29 0.00 -1.95 0.00 0.00 55.36 52.61 3gxi s GLN 200 Cb 0.00 0.26 -0.16 0.00 -0.22 0.00 0.00 33.01 32.89 3gxi s GLN 200 CO 0.00 -0.17 0.73 -2.30 -0.25 0.00 0.00 175.29 173.30 3gxi n PRO 201 N 0.98 0.49 0.00 2.91 -0.02 -1.26 -1.51 135.00 136.59 3gxi n PRO 201 Ca -0.20 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3gxi n PRO 201 Cb 0.57 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 3gxi n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gxi n GLY 202 N 1.74 3.03 2.74 -1.23 0.00 -1.26 -5.02 105.19 105.19 3gxi n GLY 202 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 3gxi n GLY 202 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gxi n ASP 203 N 0.17 -1.39 0.00 1.61 5.68 -0.57 -4.70 116.55 117.36 3gxi n ASP 203 Ca 0.00 -1.09 -0.03 0.00 -0.50 0.00 0.00 54.79 53.17 3gxi n ASP 203 Cb 0.00 -0.77 0.22 0.00 -1.14 0.00 0.00 41.12 39.43 3gxi n ASP 203 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 3gxi h ILE 204 N -2.24 1.25 0.05 2.12 3.07 -1.94 -0.42 117.51 119.40 3gxi h ILE 204 Ca -0.32 -1.15 -0.00 0.00 1.55 0.00 0.00 64.86 64.94 3gxi h ILE 204 Cb 0.95 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 38.73 3gxi h ILE 204 CO 0.21 0.37 -0.02 1.88 -1.05 0.00 0.00 178.15 179.54 3gxi h TYR 205 N 0.46 -0.06 -0.38 0.16 -1.99 -1.92 0.26 116.97 113.50 3gxi h TYR 205 Ca 0.08 -0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.80 3gxi h TYR 205 Cb 0.59 0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.32 3gxi h TYR 205 CO 0.02 0.34 0.22 0.45 -0.00 0.00 0.00 178.16 179.19 3gxi h HIS 206 N -0.47 0.51 -0.89 4.88 3.86 -1.77 0.77 115.15 122.04 3gxi h HIS 206 Ca -0.01 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3gxi h HIS 206 Cb 0.42 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 28.69 3gxi h HIS 206 CO 0.06 0.38 0.57 1.96 0.86 0.00 0.00 177.93 181.76 3gxi h GLN 207 N 0.49 1.18 -0.46 2.45 1.08 -1.09 -0.64 115.11 118.12 3gxi h GLN 207 Ca 0.14 -0.09 -0.09 0.00 -1.45 0.00 0.00 58.65 57.16 3gxi h GLN 207 Cb 0.03 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.18 3gxi h GLN 207 CO -0.02 0.80 -0.07 1.15 -0.95 0.00 0.00 178.83 179.74 3gxi h THR 208 N 1.21 1.27 -0.25 -0.54 2.02 -0.59 -0.56 112.91 115.48 3gxi h THR 208 Ca 0.32 -1.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.33 3gxi h THR 208 Cb -0.10 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 3gxi h THR 208 CO -0.07 0.40 0.14 -0.25 0.37 0.00 0.00 175.52 176.11 3gxi h TRP 209 N 0.71 0.34 -0.84 3.16 -0.00 -0.46 -0.08 115.95 118.78 3gxi h TRP 209 Ca 0.12 -0.01 0.06 0.00 -0.00 0.00 0.00 58.89 59.07 3gxi h TRP 209 Cb 0.60 -0.11 -0.06 0.00 -0.00 0.00 0.00 29.16 29.59 3gxi h TRP 209 CO 0.05 0.29 0.52 0.00 -0.00 0.00 0.00 178.44 179.29 3gxi h ALA 210 N 1.02 1.15 -0.42 2.65 0.00 -1.10 -1.63 119.26 120.93 3gxi h ALA 210 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3gxi h ALA 210 Cb 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3gxi h ALA 210 CO -0.01 0.26 0.13 -0.09 0.00 0.00 0.00 179.25 179.53 3gxi h ARG 211 N 0.94 0.62 -0.85 0.00 2.43 -0.38 -2.29 114.38 114.86 3gxi h ARG 211 Ca 0.37 -0.10 0.11 0.00 -0.81 0.00 0.00 59.98 59.55 3gxi h ARG 211 Cb 0.17 -0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 29.53 3gxi h ARG 211 CO -0.17 0.55 0.48 -0.92 -1.51 0.00 0.00 179.97 178.39 3gxi h TYR 212 N 0.61 0.86 -0.39 2.20 3.20 -0.02 0.29 116.97 123.72 3gxi h TYR 212 Ca 0.14 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.08 3gxi h TYR 212 Cb 0.19 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 3gxi h TYR 212 CO 0.01 0.32 0.17 0.74 -1.64 0.00 0.00 178.16 177.76 3gxi h PHE 213 N 0.77 0.30 -0.57 -3.82 -1.00 -1.33 0.07 116.94 111.36 3gxi h PHE 213 Ca 0.42 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 61.18 3gxi h PHE 213 Cb 0.44 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 3gxi h PHE 213 CO -0.06 0.14 0.19 0.28 -1.61 0.00 0.00 178.31 177.25 3gxi h VAL 214 N 0.35 1.24 -0.91 -0.55 2.07 -1.30 -1.55 116.25 115.59 3gxi h VAL 214 Ca 0.17 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 3gxi h VAL 214 Cb 0.12 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 3gxi h VAL 214 CO -0.15 0.30 0.52 0.11 0.02 0.00 0.00 177.57 178.37 3gxi h LYS 215 N 0.79 1.25 0.34 1.57 1.79 -0.62 0.22 116.57 121.91 3gxi h LYS 215 Ca 0.19 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 3gxi h LYS 215 Cb 0.26 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 3gxi h LYS 215 CO -0.01 0.89 -0.23 0.35 -1.08 0.00 0.00 179.45 179.37 3gxi h PHE 216 N 1.26 -0.60 -0.73 -1.35 3.57 -0.63 -0.82 116.94 117.63 3gxi h PHE 216 Ca 0.32 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.88 3gxi h PHE 216 Cb -0.01 0.22 -0.06 0.00 2.79 0.00 0.00 35.95 38.89 3gxi h PHE 216 CO 0.01 -0.35 0.43 -0.07 -2.23 0.00 0.00 178.31 176.10 3gxi h LEU 217 N -0.56 0.66 -0.38 0.59 3.38 -0.83 -0.42 115.31 117.76 3gxi h LEU 217 Ca -0.03 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3gxi h LEU 217 Cb 0.47 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 3gxi h LEU 217 CO 0.02 0.43 0.09 0.44 0.09 0.00 0.00 178.44 179.50 3gxi h ASP 218 N 0.80 0.04 0.08 -0.43 3.32 -0.49 -0.94 116.42 118.80 3gxi h ASP 218 Ca 0.32 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.43 3gxi h ASP 218 Cb 0.17 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3gxi h ASP 218 CO -0.17 0.06 -0.04 0.00 -1.72 0.00 0.00 179.24 177.37 3gxi h ALA 219 N 1.27 -0.11 -0.49 3.45 0.00 -0.04 -0.92 119.26 122.42 3gxi h ALA 219 Ca 0.18 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3gxi h ALA 219 Cb 0.20 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3gxi h ALA 219 CO -0.22 -0.52 0.29 1.88 0.00 0.00 0.00 179.25 180.68 3gxi h TYR 220 N -0.20 0.64 -0.22 0.00 -1.99 -1.08 -2.19 116.97 111.93 3gxi h TYR 220 Ca -0.01 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.64 3gxi h TYR 220 Cb 0.17 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 38.67 3gxi h TYR 220 CO -0.04 0.43 -0.20 0.00 -0.00 0.00 0.00 178.16 178.35 3gxi h ALA 221 N 1.64 1.25 0.00 3.88 0.00 -0.67 -0.79 119.26 124.58 3gxi h ALA 221 Ca 0.18 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3gxi h ALA 221 Cb -0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3gxi h ALA 221 CO -0.03 0.49 -0.02 0.93 0.00 0.00 0.00 179.25 180.62 3gxi h GLU 222 N 0.35 0.00 -0.52 0.00 5.08 -0.52 -0.72 114.58 118.26 3gxi h GLU 222 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3gxi h GLU 222 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3gxi h GLU 222 CO 0.04 0.02 0.00 0.72 -1.00 0.00 0.00 179.01 178.78 3gxi n HIS 223 N -3.69 1.69 -2.57 4.33 8.25 -0.43 -4.94 115.22 117.86 3gxi n HIS 223 Ca -0.03 -0.73 -0.16 0.00 -0.26 0.00 0.00 57.72 56.54 3gxi n HIS 223 Cb 0.10 -0.41 0.01 0.00 1.12 0.00 0.00 29.99 30.81 3gxi n HIS 223 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3gxi n LYS 224 N 0.47 -2.49 -5.04 -0.41 4.76 -0.28 -5.01 118.16 110.16 3gxi n LYS 224 Ca 0.26 0.70 -0.32 0.00 -2.87 0.00 0.00 58.31 56.07 3gxi n LYS 224 Cb 1.06 -5.05 -0.16 0.00 -1.84 0.00 0.00 35.03 29.04 3gxi n LYS 224 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3gxi s LEU 225 N -4.71 2.36 0.11 -0.35 1.43 -0.46 -4.99 118.68 112.06 3gxi s LEU 225 Ca 0.12 -0.45 0.10 0.00 -1.03 0.00 0.00 54.13 52.87 3gxi s LEU 225 Cb -0.05 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 3gxi s LEU 225 CO 0.15 0.18 -0.24 -1.10 0.23 0.00 0.00 176.35 175.57 3gxi s GLN 226 N 0.23 1.60 -0.06 1.70 -1.52 -1.26 -2.85 119.66 117.50 3gxi s GLN 226 Ca -0.13 -1.25 -0.04 0.00 -1.95 0.00 0.00 55.36 51.99 3gxi s GLN 226 Cb -0.16 -1.99 -0.04 0.00 -0.22 0.00 0.00 33.01 30.60 3gxi s GLN 226 CO 0.07 0.47 0.14 -0.06 -0.25 0.00 0.00 175.29 175.66 3gxi s PHE 227 N -1.05 3.52 0.03 0.91 0.40 -1.26 -4.52 117.98 116.01 3gxi s PHE 227 Ca 0.15 0.41 -0.17 0.00 -0.60 0.00 0.00 56.93 56.72 3gxi s PHE 227 Cb -0.10 -1.87 -0.27 0.00 0.51 0.00 0.00 43.02 41.29 3gxi s PHE 227 CO 0.07 0.67 1.10 2.35 0.70 0.00 0.00 175.22 180.10 3gxi h TRP 228 N 4.46 0.87 -3.05 0.36 7.01 -1.00 -3.42 115.95 121.17 3gxi h TRP 228 Ca -0.52 -0.52 -0.02 0.00 2.11 0.00 0.00 58.89 59.94 3gxi h TRP 228 Cb 1.21 -0.08 -0.12 0.00 -2.10 0.00 0.00 29.16 28.07 3gxi h TRP 228 CO 0.70 1.36 0.18 0.00 -2.79 0.00 0.00 178.44 177.89 3gxi s ALA 229 N -3.05 -1.49 0.08 2.65 0.00 -0.98 -1.02 121.76 117.96 3gxi s ALA 229 Ca -0.11 0.37 0.06 0.00 0.00 0.00 0.00 51.96 52.27 3gxi s ALA 229 Cb 0.05 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 24.00 3gxi s ALA 229 CO 0.89 -0.77 -0.15 0.14 0.00 0.00 0.00 175.76 175.87 3gxi s VAL 230 N -3.77 1.22 0.13 0.00 -7.23 0.43 -1.42 120.40 109.77 3gxi s VAL 230 Ca 0.02 -1.40 -0.00 0.00 -1.81 0.00 0.00 61.98 58.79 3gxi s VAL 230 Cb -0.01 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 3gxi s VAL 230 CO -0.12 -0.24 0.30 0.42 -0.31 0.00 0.00 175.10 175.16 3gxi s THR 231 N -1.40 5.29 -0.18 5.32 -4.23 -0.10 -0.83 115.64 119.51 3gxi s THR 231 Ca 0.01 -0.38 0.27 0.00 -1.18 0.00 0.00 61.69 60.41 3gxi s THR 231 Cb -0.09 -3.68 0.29 0.00 1.34 0.00 0.00 72.50 70.36 3gxi s THR 231 CO 0.03 -0.00 1.82 0.00 -0.54 0.00 0.00 174.62 175.92 3gxi h ALA 232 N 2.57 1.00 0.00 3.99 0.00 -1.55 -3.41 119.26 121.85 3gxi h ALA 232 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3gxi h ALA 232 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3gxi h ALA 232 CO 0.72 0.00 0.00 -1.91 0.00 0.00 0.00 179.25 178.06 3gxi n GLU 233 N -2.48 0.00 -2.23 0.00 4.07 -1.26 -4.93 120.64 113.81 3gxi n GLU 233 Ca 0.00 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.68 3gxi n GLU 233 Cb 0.17 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.52 3gxi n GLU 233 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 3gxi s ASN 234 N 0.00 6.86 -1.06 4.31 2.47 0.08 -4.20 114.94 123.41 3gxi s ASN 234 Ca 0.00 2.14 -0.20 0.00 0.42 0.00 0.00 52.86 55.22 3gxi s ASN 234 Cb 0.00 -2.57 0.02 0.00 -1.45 0.00 0.00 41.25 37.26 3gxi s ASN 234 CO 0.00 -0.69 0.67 -0.62 -3.72 0.00 0.00 177.10 172.74 3gxi n GLU 235 N 5.09 -0.85 -0.06 0.43 1.02 0.92 -4.74 120.64 122.44 3gxi n GLU 235 Ca 0.13 0.41 0.15 0.00 -0.02 0.00 0.00 57.16 57.83 3gxi n GLU 235 Cb 0.44 -2.81 0.57 0.00 -0.02 0.00 0.00 31.44 29.62 3gxi n GLU 235 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3gxi h PRO 236 N -1.63 0.25 0.00 3.49 0.13 -1.75 -0.77 132.00 131.73 3gxi h PRO 236 Ca -0.65 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 3gxi h PRO 236 Cb 1.38 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.45 3gxi h PRO 236 CO 0.45 0.17 0.00 0.66 -0.23 0.00 0.00 178.00 179.05 3gxi h SER 237 N 0.26 0.00 -0.05 1.44 4.64 -1.87 -2.56 113.55 115.41 3gxi h SER 237 Ca 0.28 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.50 3gxi h SER 237 Cb 0.76 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 3gxi h SER 237 CO -0.06 0.00 -0.27 0.00 -0.87 0.00 0.00 176.83 175.63 3gxi h ALA 238 N 2.06 1.07 0.00 5.18 0.00 -1.47 -3.13 119.26 122.97 3gxi h ALA 238 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3gxi h ALA 238 Cb 0.33 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3gxi h ALA 238 CO 0.00 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.23 3gxi n GLY 239 N -0.33 -0.90 0.56 0.00 0.00 -1.12 -2.14 105.19 101.26 3gxi n GLY 239 Ca -0.01 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.06 3gxi n GLY 239 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gxi n LEU 240 N -0.59 2.12 -4.46 0.99 4.77 -1.18 -1.36 117.00 117.29 3gxi n LEU 240 Ca 0.04 -0.94 -0.43 0.00 -0.03 0.00 0.00 56.01 54.65 3gxi n LEU 240 Cb 0.02 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 3gxi n LEU 240 CO 0.03 0.39 -0.08 -0.76 -1.33 0.00 0.00 177.39 175.64 3gxi s LEU 241 N -1.48 5.07 0.09 2.23 1.43 -0.91 -4.95 118.68 120.16 3gxi s LEU 241 Ca 0.17 -0.89 -0.36 0.00 -1.03 0.00 0.00 54.13 52.01 3gxi s LEU 241 Cb 0.13 -2.15 -0.17 0.00 0.03 0.00 0.00 46.19 44.03 3gxi s LEU 241 CO 0.24 -0.44 1.23 -1.54 0.23 0.00 0.00 176.35 176.07 3gxi n SER 242 N 5.15 1.16 -0.07 2.29 3.41 -1.26 -1.22 113.62 123.08 3gxi n SER 242 Ca -0.11 1.13 -0.01 0.00 -0.26 0.00 0.00 58.87 59.62 3gxi n SER 242 Cb 0.47 -1.13 -0.00 0.00 -0.26 0.00 0.00 64.21 63.28 3gxi n SER 242 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gxi n GLY 243 N 2.20 0.34 3.65 5.00 0.00 -1.26 -4.83 105.19 110.29 3gxi n GLY 243 Ca 0.18 -0.05 -0.50 0.00 0.00 0.00 0.00 46.02 45.65 3gxi n GLY 243 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gxi n TYR 244 N -2.54 1.95 0.13 1.61 9.36 -0.36 -4.60 117.16 122.71 3gxi n TYR 244 Ca -0.01 0.41 0.00 0.00 3.32 0.00 0.00 57.90 61.63 3gxi n TYR 244 Cb 0.25 -2.46 0.05 0.00 -0.63 0.00 0.00 39.34 36.54 3gxi n TYR 244 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3gxi h PRO 245 N 5.97 0.00 -6.49 2.98 0.13 -1.93 0.25 132.00 132.92 3gxi h PRO 245 Ca -0.47 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.18 3gxi h PRO 245 Cb 1.30 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.43 3gxi h PRO 245 CO 0.86 0.63 -0.21 -0.06 -0.23 0.00 0.00 178.00 178.99 3gxi s PHE 246 N -3.04 3.50 0.16 1.56 2.99 -1.26 -4.82 117.98 117.06 3gxi s PHE 246 Ca 0.02 0.35 -0.33 0.00 0.00 0.00 0.00 56.93 56.97 3gxi s PHE 246 Cb 0.09 -1.89 -0.16 0.00 0.00 0.00 0.00 43.02 41.06 3gxi s PHE 246 CO 0.76 0.15 1.18 1.04 -0.00 0.00 0.00 175.22 178.35 3gxi n GLN 247 N -1.66 1.14 -3.72 0.44 3.00 -1.26 -4.46 117.38 110.86 3gxi n GLN 247 Ca -0.05 0.41 -0.08 0.00 -0.01 0.00 0.00 57.00 57.27 3gxi n GLN 247 Cb 0.56 -1.92 -0.02 0.00 0.00 0.00 0.00 30.24 28.86 3gxi n GLN 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gxi s LEU 249 N -2.86 -0.78 0.22 0.00 2.96 -1.05 -4.33 118.68 112.85 3gxi s LEU 249 Ca 0.08 0.43 -0.30 0.00 -0.22 0.00 0.00 54.13 54.13 3gxi s LEU 249 Cb -0.04 1.35 -0.09 0.00 0.50 0.00 0.00 46.19 47.91 3gxi s LEU 249 CO 0.01 -0.28 1.10 -0.83 -1.32 0.00 0.00 176.35 175.03 3gxi s GLY 250 N 2.61 2.93 -0.02 7.98 0.00 0.32 -4.50 107.32 116.64 3gxi s GLY 250 Ca 0.13 0.86 0.00 0.00 0.00 0.00 0.00 44.72 45.70 3gxi s GLY 250 CO -0.16 1.60 0.02 -1.36 0.00 0.00 0.00 173.10 173.20 3gxi s PHE 251 N -0.64 0.03 0.78 1.90 0.40 -0.98 -4.48 117.98 115.00 3gxi s PHE 251 Ca 0.47 0.10 -0.12 0.00 -0.60 0.00 0.00 56.93 56.79 3gxi s PHE 251 Cb -0.31 -0.20 0.06 0.00 0.51 0.00 0.00 43.02 43.09 3gxi s PHE 251 CO 0.38 -0.07 1.11 0.95 0.70 0.00 0.00 175.22 178.28 3gxi s THR 252 N 0.87 2.94 0.34 0.64 -4.23 -1.26 -4.27 115.64 110.66 3gxi s THR 252 Ca -0.07 0.31 0.04 0.00 -1.18 0.00 0.00 61.69 60.79 3gxi s THR 252 Cb -0.10 -3.17 0.29 0.00 1.34 0.00 0.00 72.50 70.86 3gxi s THR 252 CO -0.02 -0.40 1.92 1.55 -0.54 0.00 0.00 174.62 177.13 3gxi h PRO 253 N -0.99 0.82 -0.61 3.99 0.13 -1.99 -0.99 132.00 132.36 3gxi h PRO 253 Ca -0.47 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 64.53 3gxi h PRO 253 Cb 1.28 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3gxi h PRO 253 CO 0.62 0.54 0.04 0.93 -0.23 0.00 0.00 178.00 179.90 3gxi h GLU 254 N 0.85 1.05 -0.51 0.86 3.07 -1.93 0.67 114.58 118.63 3gxi h GLU 254 Ca 0.37 -0.31 -0.09 0.00 -0.50 0.00 0.00 59.36 58.83 3gxi h GLU 254 Cb 0.34 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 3gxi h GLU 254 CO -0.14 1.00 -0.04 1.25 -1.40 0.00 0.00 179.01 179.67 3gxi h HIS 255 N 0.97 1.03 -0.08 4.33 2.76 -1.84 0.57 115.15 122.88 3gxi h HIS 255 Ca 0.18 -0.19 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 3gxi h HIS 255 Cb 0.51 -0.26 -0.00 0.00 1.55 0.00 0.00 27.41 29.20 3gxi h HIS 255 CO 0.03 0.96 0.05 0.37 -1.30 0.00 0.00 177.93 178.05 3gxi h GLN 256 N 0.80 0.11 -0.61 5.26 4.15 -0.80 0.14 115.11 124.16 3gxi h GLN 256 Ca 0.14 -0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.67 3gxi h GLN 256 Cb 0.58 -0.02 -0.12 0.00 0.21 0.00 0.00 27.48 28.13 3gxi h GLN 256 CO 0.03 0.07 -0.26 -0.09 -1.93 0.00 0.00 178.83 176.66 3gxi h ARG 257 N 0.11 -0.09 -0.19 1.69 2.43 -0.67 0.73 114.38 118.38 3gxi h ARG 257 Ca 0.03 0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 59.00 3gxi h ARG 257 Cb -0.01 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3gxi h ARG 257 CO -0.01 -0.06 -0.69 -0.44 -1.51 0.00 0.00 179.97 177.25 3gxi h ASP 258 N -0.10 0.91 -0.63 -3.80 3.32 -0.63 -0.06 116.42 115.45 3gxi h ASP 258 Ca 0.27 -0.56 0.02 0.00 0.02 0.00 0.00 57.03 56.79 3gxi h ASP 258 Cb 0.52 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 3gxi h ASP 258 CO -0.67 1.35 0.39 0.15 -1.72 0.00 0.00 179.24 178.74 3gxi h PHE 259 N 0.56 0.73 0.02 4.55 3.57 -0.30 0.27 116.94 126.33 3gxi h PHE 259 Ca -0.03 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3gxi h PHE 259 Cb 1.31 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.81 3gxi h PHE 259 CO 0.08 0.42 -0.01 0.82 -2.23 0.00 0.00 178.31 177.39 3gxi h ILE 260 N 0.77 1.14 0.05 1.41 2.04 -0.71 0.19 117.51 122.40 3gxi h ILE 260 Ca 0.25 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 3gxi h ILE 260 Cb 0.00 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3gxi h ILE 260 CO -0.09 0.12 -0.03 0.00 0.00 0.00 0.00 178.15 178.14 3gxi h ALA 261 N 0.76 -0.08 0.11 1.87 0.00 -0.75 1.00 119.26 122.16 3gxi h ALA 261 Ca -0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 3gxi h ALA 261 Cb 0.21 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3gxi h ALA 261 CO 0.00 -0.55 -1.56 0.00 0.00 0.00 0.00 179.25 177.15 3gxi h ARG 262 N -0.08 0.22 0.00 0.00 2.47 -0.53 -3.40 114.38 113.06 3gxi h ARG 262 Ca -0.00 -0.38 0.00 0.00 -1.26 0.00 0.00 59.98 58.33 3gxi h ARG 262 Cb 0.07 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 3gxi h ARG 262 CO 0.00 1.07 0.00 -0.25 0.56 0.00 0.00 179.97 181.35 3gxi n ASP 263 N -3.42 0.68 0.00 7.04 8.00 0.17 -4.64 116.55 124.38 3gxi n ASP 263 Ca -0.17 0.15 -0.12 0.00 0.71 0.00 0.00 54.79 55.36 3gxi n ASP 263 Cb 1.04 -0.16 -0.07 0.00 -0.02 0.00 0.00 41.12 41.90 3gxi n ASP 263 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3gxi h LEU 264 N 0.00 0.06 0.43 0.64 5.85 -0.82 -1.42 115.31 120.05 3gxi h LEU 264 Ca 0.00 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 3gxi h LEU 264 Cb 0.00 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3gxi h LEU 264 CO 0.00 0.23 -0.46 1.23 -0.34 0.00 0.00 178.44 179.09 3gxi h GLY 265 N -0.10 -1.22 1.27 3.75 0.00 -0.99 -0.76 103.07 105.03 3gxi h GLY 265 Ca 0.01 0.57 0.01 0.00 0.00 0.00 0.00 47.33 47.93 3gxi h GLY 265 CO -0.00 -0.36 0.47 -2.55 0.00 0.00 0.00 176.54 174.10 3gxi h PRO 266 N -0.90 0.90 -0.25 4.80 0.11 -1.73 -1.46 132.00 133.47 3gxi h PRO 266 Ca -0.05 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.96 3gxi h PRO 266 Cb 0.79 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 3gxi h PRO 266 CO -0.08 0.60 0.01 1.15 -0.21 0.00 0.00 178.00 179.47 3gxi h THR 267 N 0.93 1.25 -0.79 -1.15 2.02 -1.09 -0.42 112.91 113.66 3gxi h THR 267 Ca 0.27 -0.88 -0.02 0.00 0.77 0.00 0.00 66.41 66.54 3gxi h THR 267 Cb -0.06 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 3gxi h THR 267 CO -0.06 0.28 0.41 -0.07 0.37 0.00 0.00 175.52 176.44 3gxi h LEU 268 N 0.22 1.01 -1.00 2.58 3.38 -0.85 -2.62 115.31 118.04 3gxi h LEU 268 Ca 0.07 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3gxi h LEU 268 Cb 0.40 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3gxi h LEU 268 CO 0.01 0.84 0.30 0.00 0.09 0.00 0.00 178.44 179.68 3gxi h ALA 269 N 1.21 1.21 0.00 1.53 0.00 -1.09 -2.16 119.26 119.96 3gxi h ALA 269 Ca 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3gxi h ALA 269 Cb 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3gxi h ALA 269 CO -0.04 0.59 0.00 -1.71 0.00 0.00 0.00 179.25 178.09 3gxi n ASN 270 N -4.31 0.00 -4.94 0.00 5.15 -0.18 -4.72 115.26 106.26 3gxi n ASN 270 Ca 0.06 0.24 -0.20 0.00 -0.60 0.00 0.00 54.58 54.08 3gxi n ASN 270 Cb 0.16 -0.40 0.05 0.00 -0.53 0.00 0.00 39.78 39.06 3gxi n ASN 270 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3gxi s SER 271 N -2.80 5.18 0.00 1.20 1.04 -0.81 -4.97 113.70 112.53 3gxi s SER 271 Ca 0.17 -0.32 0.16 0.00 0.48 0.00 0.00 55.95 56.45 3gxi s SER 271 Cb 0.16 -0.48 0.74 0.00 0.10 0.00 0.00 66.02 66.54 3gxi s SER 271 CO 0.40 -1.20 1.51 0.35 0.98 0.00 0.00 173.24 175.28 3gxi n THR 272 N -2.29 0.78 -1.18 2.02 -2.24 -1.26 -2.97 114.28 107.14 3gxi n THR 272 Ca 0.10 0.19 -0.24 0.00 -2.27 0.00 0.00 64.05 61.84 3gxi n THR 272 Cb 0.60 -0.91 0.17 0.00 -2.10 0.00 0.00 70.33 68.09 3gxi n THR 272 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3gxi n HIS 273 N -1.44 3.01 0.27 4.78 8.25 -1.26 -4.65 115.22 124.17 3gxi n HIS 273 Ca 0.05 -1.85 0.14 0.00 -0.26 0.00 0.00 57.72 55.79 3gxi n HIS 273 Cb 0.17 -0.95 0.73 0.00 1.12 0.00 0.00 29.99 31.07 3gxi n HIS 273 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 3gxi h HIS 274 N 1.01 0.00 0.00 4.41 -0.00 -1.59 -1.80 115.15 117.17 3gxi h HIS 274 Ca 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.99 3gxi h HIS 274 Cb 2.77 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 30.18 3gxi h HIS 274 CO 1.56 0.11 0.00 -0.91 -0.00 0.00 0.00 177.93 178.69 3gxi h ASN 275 N 0.00 0.00 -3.21 3.10 2.35 -1.89 -3.45 115.58 112.47 3gxi h ASN 275 Ca -0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 3gxi h ASN 275 Cb 0.37 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.80 3gxi h ASN 275 CO 0.01 0.00 0.87 -0.69 -1.65 0.00 0.00 177.43 175.97 3gxi s VAL 276 N -3.50 2.28 0.54 2.81 1.01 -0.68 -4.97 120.40 117.89 3gxi s VAL 276 Ca 0.03 0.23 -0.08 0.00 0.00 0.00 0.00 61.98 62.16 3gxi s VAL 276 Cb 0.08 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3gxi s VAL 276 CO 0.57 0.03 0.90 -0.13 0.00 0.00 0.00 175.10 176.48 3gxi s ARG 277 N -0.10 3.58 -0.14 2.72 1.81 -0.19 -4.91 118.95 121.72 3gxi s ARG 277 Ca 0.64 0.47 0.02 0.00 -1.72 0.00 0.00 55.73 55.15 3gxi s ARG 277 Cb -0.46 -2.23 0.01 0.00 -0.45 0.00 0.00 34.95 31.82 3gxi s ARG 277 CO 0.43 -0.37 -0.20 -1.17 -0.68 0.00 0.00 175.30 173.30 3gxi s LEU 278 N -4.92 2.04 -0.08 2.53 2.96 -1.26 -0.43 118.68 119.52 3gxi s LEU 278 Ca 0.51 -0.58 -0.00 0.00 -0.22 0.00 0.00 54.13 53.84 3gxi s LEU 278 Cb -0.11 -1.39 -0.03 0.00 0.50 0.00 0.00 46.19 45.17 3gxi s LEU 278 CO 0.49 0.06 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.75 3gxi s LEU 279 N 0.92 3.19 0.58 -0.68 1.43 -0.01 -0.67 118.68 123.44 3gxi s LEU 279 Ca -0.05 -0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.07 3gxi s LEU 279 Cb -0.15 -1.71 0.08 0.00 0.03 0.00 0.00 46.19 44.44 3gxi s LEU 279 CO -0.03 0.33 0.80 0.00 0.23 0.00 0.00 176.35 177.67 3gxi s MET 280 N -0.59 2.27 0.35 1.70 0.23 -0.26 -1.35 119.30 121.66 3gxi s MET 280 Ca 0.09 -1.38 0.00 0.00 -1.03 0.00 0.00 55.69 53.37 3gxi s MET 280 Cb -0.12 -2.58 0.00 0.00 -1.53 0.00 0.00 34.83 30.60 3gxi s MET 280 CO 0.02 -0.88 0.00 -0.11 -2.03 0.00 0.00 175.02 172.02 3gxi n LEU 281 N -2.32 0.00 -3.64 0.18 7.94 -1.26 -0.49 117.00 117.40 3gxi n LEU 281 Ca 0.14 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.82 3gxi n LEU 281 Cb 0.61 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.60 3gxi n LEU 281 CO 0.41 0.00 -0.05 -0.67 -1.11 0.00 0.00 177.39 175.96 3gxi n ASP 282 N 3.32 -2.26 -2.33 1.96 2.03 0.65 -4.30 116.55 115.63 3gxi n ASP 282 Ca 0.00 -0.83 -0.07 0.00 0.52 0.00 0.00 54.79 54.41 3gxi n ASP 282 Cb 0.00 -4.12 0.01 0.00 -0.72 0.00 0.00 41.12 36.29 3gxi n ASP 282 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 3gxi n ASP 283 N -3.03 -1.52 -4.75 1.67 -0.08 -1.13 -0.05 116.55 107.65 3gxi n ASP 283 Ca -0.25 -2.21 -0.39 0.00 -1.51 0.00 0.00 54.79 50.44 3gxi n ASP 283 Cb 0.66 2.58 0.04 0.00 2.34 0.00 0.00 41.12 46.74 3gxi n ASP 283 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 3gxi s GLN 284 N -2.18 3.17 0.26 -0.67 -1.52 -1.26 -0.69 119.66 116.76 3gxi s GLN 284 Ca 0.14 2.28 0.24 0.00 -1.95 0.00 0.00 55.36 56.07 3gxi s GLN 284 Cb -0.03 -2.29 0.96 0.00 -0.22 0.00 0.00 33.01 31.43 3gxi s GLN 284 CO 0.10 -1.18 1.73 2.89 -0.25 0.00 0.00 175.29 178.57 3gxi n ARG 285 N -0.97 0.21 0.18 2.91 1.85 -1.24 -2.60 116.66 117.00 3gxi n ARG 285 Ca 0.10 0.40 0.13 0.00 -1.00 0.00 0.00 57.85 57.47 3gxi n ARG 285 Cb 0.44 -1.87 0.63 0.00 -1.05 0.00 0.00 32.46 30.61 3gxi n ARG 285 CO 0.00 0.00 0.00 1.37 -0.01 0.00 0.00 177.63 178.99 3gxi h LEU 286 N 0.00 0.00 -0.31 2.89 -0.00 -1.90 -1.17 115.31 114.82 3gxi h LEU 286 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3gxi h LEU 286 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 3gxi h LEU 286 CO 0.00 0.00 -0.06 0.18 -0.00 0.00 0.00 178.44 178.56 3gxi n LEU 287 N -2.37 0.54 -4.79 0.17 4.77 -1.07 -4.83 117.00 109.43 3gxi n LEU 287 Ca -0.01 -0.08 -0.30 0.00 -0.03 0.00 0.00 56.01 55.60 3gxi n LEU 287 Cb 0.10 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 3gxi n LEU 287 CO 0.14 0.10 -0.25 -0.76 -1.33 0.00 0.00 177.39 175.29 3gxi s LEU 288 N -2.28 3.83 0.00 2.23 1.43 -0.45 -1.33 118.68 122.11 3gxi s LEU 288 Ca 0.35 -0.02 0.28 0.00 -1.03 0.00 0.00 54.13 53.71 3gxi s LEU 288 Cb 0.21 -2.49 1.45 0.00 0.03 0.00 0.00 46.19 45.38 3gxi s LEU 288 CO 0.42 0.15 1.98 -0.81 0.23 0.00 0.00 176.35 178.33 3gxi n PRO 289 N 0.27 0.44 -0.15 1.29 -0.04 -1.26 -4.56 135.00 130.97 3gxi n PRO 289 Ca -0.08 0.02 -0.03 0.00 -0.04 0.00 0.00 63.50 63.36 3gxi n PRO 289 Cb 0.52 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.52 3gxi n PRO 289 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3gxi h HIS 290 N 0.00 -0.23 -0.78 0.54 2.76 -1.91 0.15 115.15 115.68 3gxi h HIS 290 Ca 0.00 0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 58.16 3gxi h HIS 290 Cb 0.25 0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.35 3gxi h HIS 290 CO 0.00 -0.20 0.28 -1.49 -1.30 0.00 0.00 177.93 175.23 3gxi h TRP 291 N 0.01 1.22 -0.35 5.26 4.06 -1.56 -0.63 115.95 123.96 3gxi h TRP 291 Ca 0.24 -0.10 -0.05 0.00 2.06 0.00 0.00 58.89 61.03 3gxi h TRP 291 Cb 0.36 -0.36 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 3gxi h TRP 291 CO -0.40 0.94 0.02 0.00 -3.56 0.00 0.00 178.44 175.43 3gxi h ALA 292 N 1.15 0.47 -0.46 1.49 0.00 -1.43 -2.36 119.26 118.12 3gxi h ALA 292 Ca 0.26 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3gxi h ALA 292 Cb 0.26 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3gxi h ALA 292 CO -0.02 0.21 0.15 0.87 0.00 0.00 0.00 179.25 180.47 3gxi h LYS 293 N 0.43 0.31 -0.04 0.00 1.57 -0.10 0.32 116.57 119.05 3gxi h LYS 293 Ca 0.10 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3gxi h LYS 293 Cb 0.42 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 3gxi h LYS 293 CO 0.01 0.21 0.02 0.28 -0.57 0.00 0.00 179.45 179.40 3gxi h VAL 294 N 0.32 1.05 0.00 0.50 2.07 -1.01 -2.34 116.25 116.84 3gxi h VAL 294 Ca 0.22 -0.14 -0.14 0.00 0.82 0.00 0.00 66.70 67.47 3gxi h VAL 294 Cb 0.23 1.08 0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3gxi h VAL 294 CO -0.23 0.04 -0.54 0.58 0.02 0.00 0.00 177.57 177.44 3gxi h VAL 295 N 0.00 1.46 0.00 2.57 2.07 -1.30 -3.37 116.25 117.68 3gxi h VAL 295 Ca 0.01 -2.07 0.00 0.00 0.82 0.00 0.00 66.70 65.46 3gxi h VAL 295 Cb 0.05 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 3gxi h VAL 295 CO -0.00 0.59 -0.36 0.18 0.02 0.00 0.00 177.57 178.00 3gxi n LEU 296 N -4.27 0.61 -0.57 2.57 4.77 0.11 -2.84 117.00 117.37 3gxi n LEU 296 Ca -0.10 0.32 0.04 0.00 -0.03 0.00 0.00 56.01 56.24 3gxi n LEU 296 Cb 0.64 -0.27 0.13 0.00 -2.33 0.00 0.00 43.42 41.59 3gxi n LEU 296 CO 0.45 -0.05 0.59 0.35 -1.33 0.00 0.00 177.39 177.40 3gxi n THR 297 N -1.98 0.45 -3.95 -5.08 -2.24 -0.88 -4.62 114.28 95.98 3gxi n THR 297 Ca 0.05 -0.39 -0.33 0.00 -2.27 0.00 0.00 64.05 61.10 3gxi n THR 297 Cb 0.41 0.11 -0.14 0.00 -2.10 0.00 0.00 70.33 68.61 3gxi n THR 297 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gxi s ASP 298 N -0.91 4.82 0.53 3.42 2.15 -1.13 -5.00 116.67 120.54 3gxi s ASP 298 Ca 0.19 -1.70 0.23 0.00 0.43 0.00 0.00 52.55 51.70 3gxi s ASP 298 Cb 0.10 -1.67 1.36 0.00 -0.30 0.00 0.00 42.92 42.41 3gxi s ASP 298 CO 0.12 -0.33 2.04 -0.65 -0.17 0.00 0.00 175.17 176.18 3gxi h PRO 299 N 7.84 0.00 -0.03 4.34 0.11 -1.86 0.34 132.00 142.75 3gxi h PRO 299 Ca -0.14 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.84 3gxi h PRO 299 Cb 1.04 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3gxi h PRO 299 CO 0.54 0.00 -0.56 0.93 -0.21 0.00 0.00 178.00 178.71 3gxi h GLU 300 N 0.00 0.08 0.02 1.05 3.07 -1.94 -2.17 114.58 114.68 3gxi h GLU 300 Ca 0.18 -0.05 -0.16 0.00 -0.50 0.00 0.00 59.36 58.83 3gxi h GLU 300 Cb 0.71 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.61 3gxi h GLU 300 CO -0.00 0.61 -0.84 0.00 -1.40 0.00 0.00 179.01 177.39 3gxi h ALA 301 N 1.38 0.16 -0.10 3.43 0.00 -1.45 -3.40 119.26 119.28 3gxi h ALA 301 Ca -0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 54.91 53.96 3gxi h ALA 301 Cb 1.00 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 3gxi h ALA 301 CO 0.08 0.47 0.03 0.00 0.00 0.00 0.00 179.25 179.83 3gxi h ALA 302 N -0.25 1.87 -0.01 0.00 0.00 -0.40 -0.76 119.26 119.72 3gxi h ALA 302 Ca -0.22 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3gxi h ALA 302 Cb 1.27 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3gxi h ALA 302 CO -0.09 0.11 0.04 1.57 0.00 0.00 0.00 179.25 180.88 3gxi h LYS 303 N 0.14 0.00 -0.00 0.00 2.10 -1.62 -2.50 116.57 114.68 3gxi h LYS 303 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 3gxi h LYS 303 Cb 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 3gxi h LYS 303 CO -0.00 0.00 -0.87 0.66 -2.00 0.00 0.00 179.45 177.24 3gxi n TYR 304 N -3.20 0.00 -3.55 0.07 0.53 -0.29 -4.94 117.16 105.78 3gxi n TYR 304 Ca -0.03 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.46 3gxi n TYR 304 Cb 0.12 0.00 -0.11 0.00 -1.03 0.00 0.00 39.34 38.32 3gxi n TYR 304 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 3gxi s VAL 305 N -2.85 5.22 0.01 -0.72 1.01 -0.94 -4.37 120.40 117.76 3gxi s VAL 305 Ca 0.10 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.93 3gxi s VAL 305 Cb 0.16 -3.64 -0.26 0.00 0.00 0.00 0.00 36.38 32.64 3gxi s VAL 305 CO 0.79 0.05 0.89 -0.74 0.00 0.00 0.00 175.10 176.10 3gxi h HIS 306 N 8.45 0.31 -2.87 5.22 2.76 -1.20 -3.49 115.15 124.33 3gxi h HIS 306 Ca -0.32 -0.22 0.02 0.00 -2.20 0.00 0.00 60.37 57.65 3gxi h HIS 306 Cb 1.16 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 30.11 3gxi h HIS 306 CO 0.68 1.26 0.37 0.41 -1.30 0.00 0.00 177.93 179.35 3gxi n GLY 307 N 1.60 0.87 3.10 5.26 0.00 -1.19 -3.62 105.19 111.21 3gxi n GLY 307 Ca -0.14 -1.23 -0.32 0.00 0.00 0.00 0.00 46.02 44.33 3gxi n GLY 307 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gxi s ILE 308 N -2.09 1.89 -0.10 -0.61 1.01 0.37 -1.10 121.20 120.57 3gxi s ILE 308 Ca 0.18 -0.85 -0.14 0.00 0.00 0.00 0.00 60.65 59.84 3gxi s ILE 308 Cb -0.04 -1.72 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 3gxi s ILE 308 CO 0.10 0.51 0.35 0.00 0.00 0.00 0.00 174.94 175.91 3gxi s ALA 309 N 1.24 3.62 0.21 9.38 0.00 0.35 -1.57 121.76 135.00 3gxi s ALA 309 Ca 0.02 -0.34 0.11 0.00 0.00 0.00 0.00 51.96 51.75 3gxi s ALA 309 Cb -0.13 -2.41 -0.05 0.00 0.00 0.00 0.00 23.12 20.53 3gxi s ALA 309 CO -0.10 0.23 -0.22 0.14 0.00 0.00 0.00 175.76 175.82 3gxi s VAL 310 N -0.09 2.44 0.08 0.00 -7.23 0.53 -0.26 120.40 115.88 3gxi s VAL 310 Ca 0.21 -2.09 0.05 0.00 -1.81 0.00 0.00 61.98 58.33 3gxi s VAL 310 Cb -0.14 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 3gxi s VAL 310 CO 0.08 -0.18 -0.04 -1.00 -0.31 0.00 0.00 175.10 173.64 3gxi s HIS 311 N -1.87 2.89 -0.12 2.82 3.76 0.13 -0.31 115.29 122.60 3gxi s HIS 311 Ca 0.23 -0.07 0.17 0.00 -0.15 0.00 0.00 55.06 55.24 3gxi s HIS 311 Cb -0.07 -1.51 -0.13 0.00 1.11 0.00 0.00 32.58 31.97 3gxi s HIS 311 CO 0.11 0.45 0.83 -1.49 -0.85 0.00 0.00 174.74 173.79 3gxi h TRP 312 N 3.66 0.00 -0.49 1.40 6.55 -1.35 -3.30 115.95 122.42 3gxi h TRP 312 Ca -0.48 0.00 0.07 0.00 0.95 0.00 0.00 58.89 59.43 3gxi h TRP 312 Cb 1.17 0.00 -0.07 0.00 -0.86 0.00 0.00 29.16 29.39 3gxi h TRP 312 CO 0.60 0.59 -0.21 0.98 -1.05 0.00 0.00 178.44 179.34 3gxi n TYR 313 N -2.90 -0.04 -1.15 0.49 4.19 -0.87 -0.07 117.16 116.82 3gxi n TYR 313 Ca -0.10 0.61 -0.13 0.00 3.31 0.00 0.00 57.90 61.59 3gxi n TYR 313 Cb 0.84 -0.65 0.25 0.00 0.49 0.00 0.00 39.34 40.27 3gxi n TYR 313 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 3gxi n LEU 314 N -4.70 6.26 -0.01 2.98 4.77 -1.26 -4.63 117.00 120.40 3gxi n LEU 314 Ca 0.04 -3.42 0.08 0.00 -0.03 0.00 0.00 56.01 52.69 3gxi n LEU 314 Cb 0.18 -0.78 0.49 0.00 -2.33 0.00 0.00 43.42 40.98 3gxi n LEU 314 CO -0.07 0.94 1.17 0.44 -1.33 0.00 0.00 177.39 178.53 3gxi h ASP 315 N 1.86 0.36 0.08 -1.43 5.19 -0.77 -1.90 116.42 119.81 3gxi h ASP 315 Ca 0.42 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.83 3gxi h ASP 315 Cb 2.53 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 41.96 3gxi h ASP 315 CO 0.88 0.24 -0.03 2.19 -3.12 0.00 0.00 179.24 179.40 3gxi h PHE 316 N 0.41 0.00 0.00 4.55 -5.15 -1.82 -2.33 116.94 112.60 3gxi h PHE 316 Ca 0.20 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.97 3gxi h PHE 316 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.42 3gxi h PHE 316 CO -0.00 0.03 0.00 1.28 -2.00 0.00 0.00 178.31 177.62 3gxi n LEU 317 N -3.80 0.00 -3.52 2.10 4.77 -0.71 -4.80 117.00 111.04 3gxi n LEU 317 Ca -0.03 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 3gxi n LEU 317 Cb 0.11 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.76 3gxi n LEU 317 CO 0.28 -0.07 0.27 0.00 -1.33 0.00 0.00 177.39 176.54 3gxi s ALA 318 N -2.81 -2.17 0.69 -1.18 0.00 -0.88 -5.00 121.76 110.41 3gxi s ALA 318 Ca 0.17 2.20 -0.15 0.00 0.00 0.00 0.00 51.96 54.18 3gxi s ALA 318 Cb 0.16 -1.90 0.02 0.00 0.00 0.00 0.00 23.12 21.40 3gxi s ALA 318 CO 0.41 -1.03 1.15 -1.25 0.00 0.00 0.00 175.76 175.04 3gxi s PRO 319 N 2.86 2.50 0.23 0.00 0.04 -1.26 -4.86 135.00 134.50 3gxi s PRO 319 Ca 0.00 1.52 -0.07 0.00 0.04 0.00 0.00 61.00 62.50 3gxi s PRO 319 Cb -0.12 -1.90 0.21 0.00 0.04 0.00 0.00 34.50 32.72 3gxi s PRO 319 CO -0.19 -1.51 1.83 0.00 0.04 0.00 0.00 177.00 177.17 3gxi h ALA 320 N -0.17 1.14 -0.74 8.56 0.00 -1.99 -3.07 119.26 122.99 3gxi h ALA 320 Ca -0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 3gxi h ALA 320 Cb 1.26 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 3gxi h ALA 320 CO 0.52 0.67 0.44 -0.22 0.00 0.00 0.00 179.25 180.65 3gxi h LYS 321 N 1.23 1.01 0.00 0.00 3.64 -1.95 0.30 116.57 120.80 3gxi h LYS 321 Ca 0.30 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3gxi h LYS 321 Cb 0.09 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3gxi h LYS 321 CO -0.04 0.72 0.00 0.00 -2.27 0.00 0.00 179.45 177.86 3gxi h ALA 322 N 1.23 1.00 0.00 5.00 0.00 -1.93 -0.14 119.26 124.42 3gxi h ALA 322 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3gxi h ALA 322 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3gxi h ALA 322 CO -0.05 0.00 -0.07 0.25 0.00 0.00 0.00 179.25 179.38 3gxi n THR 323 N -3.03 0.22 -0.08 0.00 -2.24 -0.97 -4.34 114.28 103.84 3gxi n THR 323 Ca 0.03 0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.92 3gxi n THR 323 Cb 0.45 -1.34 -0.05 0.00 -2.10 0.00 0.00 70.33 67.29 3gxi n THR 323 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3gxi h LEU 324 N -0.07 0.47 -0.12 3.22 3.38 -0.66 -1.42 115.31 120.10 3gxi h LEU 324 Ca 0.00 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 3gxi h LEU 324 Cb 0.07 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3gxi h LEU 324 CO 0.00 0.75 0.02 1.23 0.09 0.00 0.00 178.44 180.53 3gxi h GLY 325 N 0.18 0.22 1.37 0.83 0.00 -0.84 -1.84 103.07 102.99 3gxi h GLY 325 Ca 0.05 -0.14 -0.14 0.00 0.00 0.00 0.00 47.33 47.10 3gxi h GLY 325 CO 0.03 0.13 -0.36 -2.09 0.00 0.00 0.00 176.54 174.25 3gxi h GLU 326 N -0.02 0.69 -0.72 4.80 4.57 -1.08 -1.15 114.58 121.67 3gxi h GLU 326 Ca 0.04 -0.34 -0.02 0.00 -1.18 0.00 0.00 59.36 57.86 3gxi h GLU 326 Cb 0.29 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 3gxi h GLU 326 CO 0.00 0.95 0.38 1.15 -1.18 0.00 0.00 179.01 180.31 3gxi h THR 327 N 0.58 1.23 -0.38 0.32 2.02 -1.18 -1.88 112.91 113.62 3gxi h THR 327 Ca 0.06 -0.59 0.01 0.00 0.77 0.00 0.00 66.41 66.65 3gxi h THR 327 Cb 0.89 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 3gxi h THR 327 CO 0.08 0.26 0.25 -0.74 0.37 0.00 0.00 175.52 175.73 3gxi h HIS 328 N 1.00 0.47 -0.66 3.16 -0.00 -0.90 0.12 115.15 118.33 3gxi h HIS 328 Ca 0.25 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.66 3gxi h HIS 328 Cb 0.07 -0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 27.28 3gxi h HIS 328 CO 0.00 0.29 0.41 -0.09 -0.00 0.00 0.00 177.93 178.54 3gxi h ARG 329 N 0.51 0.78 0.01 5.26 2.43 -1.02 0.38 114.38 122.73 3gxi h ARG 329 Ca 0.14 -0.05 -0.21 0.00 -0.81 0.00 0.00 59.98 59.06 3gxi h ARG 329 Cb -0.05 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 3gxi h ARG 329 CO -0.04 0.51 -0.98 -0.07 -1.51 0.00 0.00 179.97 177.89 3gxi h LEU 330 N 0.80 0.06 -6.02 3.80 3.38 -1.11 -3.38 115.31 112.84 3gxi h LEU 330 Ca 0.27 -0.06 -0.56 0.00 0.09 0.00 0.00 57.88 57.61 3gxi h LEU 330 Cb 0.03 -0.02 -0.40 0.00 0.09 0.00 0.00 40.66 40.36 3gxi h LEU 330 CO -0.11 1.00 -1.01 0.49 0.09 0.00 0.00 178.44 178.90 3gxi n PHE 331 N -3.43 0.49 0.62 1.13 3.01 0.39 -4.98 117.46 114.68 3gxi n PHE 331 Ca -0.01 -3.69 0.09 0.00 1.01 0.00 0.00 57.45 54.84 3gxi n PHE 331 Cb 0.91 -0.40 0.39 0.00 -0.01 0.00 0.00 39.48 40.37 3gxi n PHE 331 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3gxi n PRO 332 N 1.21 0.00 -0.32 -1.08 -0.04 0.10 -2.19 135.00 132.68 3gxi n PRO 332 Ca 0.23 0.19 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 3gxi n PRO 332 Cb 0.51 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.75 3gxi n PRO 332 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3gxi n ASN 333 N -1.51 3.72 -4.20 3.54 3.02 -1.26 -4.84 115.26 113.73 3gxi n ASN 333 Ca 0.04 -1.99 -0.35 0.00 -0.03 0.00 0.00 54.58 52.25 3gxi n ASN 333 Cb 0.21 -0.42 -0.14 0.00 -0.61 0.00 0.00 39.78 38.83 3gxi n ASN 333 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3gxi s THR 334 N -1.05 3.10 0.56 3.41 2.01 -0.93 -5.01 115.64 117.73 3gxi s THR 334 Ca 0.43 -1.19 -0.20 0.00 0.31 0.00 0.00 61.69 61.05 3gxi s THR 334 Cb 0.23 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 70.00 3gxi s THR 334 CO 0.30 0.00 1.22 0.00 -0.69 0.00 0.00 174.62 175.45 3gxi s MET 335 N 1.31 3.15 -0.16 4.92 0.23 -1.24 -4.76 119.30 122.75 3gxi s MET 335 Ca -0.03 1.87 -0.06 0.00 -1.03 0.00 0.00 55.69 56.44 3gxi s MET 335 Cb -0.18 -2.06 -0.04 0.00 -1.53 0.00 0.00 34.83 31.01 3gxi s MET 335 CO -0.02 -1.07 0.05 -0.51 -2.03 0.00 0.00 175.02 171.44 3gxi s LEU 336 N -3.79 3.75 -0.02 0.18 1.43 -1.26 -0.48 118.68 118.49 3gxi s LEU 336 Ca 0.74 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.95 3gxi s LEU 336 Cb -0.31 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 43.98 3gxi s LEU 336 CO 0.35 0.22 -0.07 0.12 0.23 0.00 0.00 176.35 177.20 3gxi s PHE 337 N 0.10 0.74 -0.53 0.29 5.36 -0.61 -0.17 117.98 123.17 3gxi s PHE 337 Ca 0.04 -0.17 -0.20 0.00 -0.96 0.00 0.00 56.93 55.64 3gxi s PHE 337 Cb -0.12 -0.54 0.06 0.00 -0.34 0.00 0.00 43.02 42.07 3gxi s PHE 337 CO 0.01 -0.08 0.71 0.00 -1.46 0.00 0.00 175.22 174.40 3gxi s ALA 338 N 0.21 3.33 -0.62 11.12 0.00 0.29 -0.34 121.76 135.75 3gxi s ALA 338 Ca -0.03 -1.70 0.23 0.00 0.00 0.00 0.00 51.96 50.46 3gxi s ALA 338 Cb -0.07 -3.46 0.15 0.00 0.00 0.00 0.00 23.12 19.73 3gxi s ALA 338 CO 0.00 -2.15 1.12 -1.13 0.00 0.00 0.00 175.76 173.60 3gxi n SER 339 N 6.50 0.64 -3.40 0.00 3.41 0.58 -0.56 113.62 120.78 3gxi n SER 339 Ca -0.05 -0.10 -0.25 0.00 -0.26 0.00 0.00 58.87 58.21 3gxi n SER 339 Cb 0.45 0.59 -0.10 0.00 -0.26 0.00 0.00 64.21 64.89 3gxi n SER 339 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3gxi s GLU 340 N -3.19 0.65 -1.23 4.33 2.12 -1.18 -4.45 118.70 115.76 3gxi s GLU 340 Ca 0.04 -1.34 -0.10 0.00 0.36 0.00 0.00 54.97 53.93 3gxi s GLU 340 Cb 0.14 -1.14 0.19 0.00 0.26 0.00 0.00 34.13 33.58 3gxi s GLU 340 CO 0.77 -1.24 1.63 0.00 -0.54 0.00 0.00 175.26 175.89 3gxi n ALA 341 N 3.85 4.74 -3.23 6.30 0.00 0.12 -1.27 120.51 131.02 3gxi n ALA 341 Ca 0.15 -4.36 -0.13 0.00 0.00 0.00 0.00 53.44 49.10 3gxi n ALA 341 Cb 0.41 -2.91 -0.09 0.00 0.00 0.00 0.00 19.45 16.86 3gxi n ALA 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gxi s VAL 343 N -0.88 0.39 0.00 0.00 -7.23 -1.26 -2.05 120.40 109.37 3gxi s VAL 343 Ca -0.10 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 3gxi s VAL 343 Cb -0.04 -0.74 0.00 0.00 0.56 0.00 0.00 36.38 36.16 3gxi s VAL 343 CO 0.03 -0.55 0.00 0.61 -0.31 0.00 0.00 175.10 174.88 3gxi n GLY 344 N 1.16 0.09 3.69 2.32 0.00 -1.26 -4.53 105.19 106.66 3gxi n GLY 344 Ca -0.21 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 3gxi n GLY 344 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gxi s SER 345 N 0.00 6.57 0.11 1.61 1.04 -1.23 -4.89 113.70 116.90 3gxi s SER 345 Ca 0.00 2.54 -0.33 0.00 0.48 0.00 0.00 55.95 58.64 3gxi s SER 345 Cb 0.00 -2.56 -0.18 0.00 0.10 0.00 0.00 66.02 63.38 3gxi s SER 345 CO 0.00 -0.90 0.76 0.29 0.98 0.00 0.00 173.24 174.36 3gxi n LYS 346 N 5.54 0.00 0.29 4.02 5.02 -1.26 -4.72 118.16 127.05 3gxi n LYS 346 Ca 0.16 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.58 3gxi n LYS 346 Cb 0.40 -1.20 0.63 0.00 -0.02 0.00 0.00 35.03 34.84 3gxi n LYS 346 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3gxi h PHE 347 N 1.88 0.00 -0.40 2.13 -0.00 -2.01 0.87 116.94 119.41 3gxi h PHE 347 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.59 3gxi h PHE 347 Cb 1.41 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.36 3gxi h PHE 347 CO 0.48 0.00 0.00 -2.67 -0.00 0.00 0.00 178.31 176.12 3gxi n TRP 348 N -2.90 0.63 -4.16 6.09 2.14 -1.26 -4.99 117.44 112.99 3gxi n TRP 348 Ca 0.00 -0.55 -0.26 0.00 2.07 0.00 0.00 57.50 58.76 3gxi n TRP 348 Cb 0.57 -0.07 -0.07 0.00 -0.81 0.00 0.00 31.31 30.93 3gxi n TRP 348 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 3gxi s GLU 349 N -1.25 2.62 0.66 -2.67 2.02 0.30 -5.11 118.70 115.27 3gxi s GLU 349 Ca 0.30 -1.02 -0.17 0.00 0.02 0.00 0.00 54.97 54.10 3gxi s GLU 349 Cb 0.17 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.93 3gxi s GLU 349 CO 0.17 0.46 1.24 -0.65 0.02 0.00 0.00 175.26 176.50 3gxi s GLN 350 N -3.06 2.52 0.26 1.61 -0.21 -1.26 -4.85 119.66 114.67 3gxi s GLN 350 Ca 0.29 1.88 -0.02 0.00 0.02 0.00 0.00 55.36 57.53 3gxi s GLN 350 Cb -0.09 -1.86 0.47 0.00 1.00 0.00 0.00 33.01 32.52 3gxi s GLN 350 CO 0.21 -1.58 1.82 0.77 -2.12 0.00 0.00 175.29 174.39 3gxi h SER 351 N 0.32 0.79 -3.12 5.90 0.02 -1.86 -3.40 113.55 112.19 3gxi h SER 351 Ca -0.50 0.05 -0.67 0.00 -0.84 0.00 0.00 61.79 59.84 3gxi h SER 351 Cb 1.31 -0.10 -0.35 0.00 0.14 0.00 0.00 62.40 63.40 3gxi h SER 351 CO 0.52 0.43 -0.86 -0.69 -1.14 0.00 0.00 176.83 175.09 3gxi s VAL 352 N -6.00 2.03 -0.41 2.27 1.01 -1.26 -2.27 120.40 115.77 3gxi s VAL 352 Ca -0.12 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 60.95 3gxi s VAL 352 Cb 0.21 -1.82 0.11 0.00 0.00 0.00 0.00 36.38 34.88 3gxi s VAL 352 CO 0.79 0.54 0.14 -0.13 0.00 0.00 0.00 175.10 176.45 3gxi s ARG 353 N 1.10 1.73 -0.17 2.72 0.52 -1.26 -5.04 118.95 118.55 3gxi s ARG 353 Ca -0.00 -2.10 -0.29 0.00 -0.52 0.00 0.00 55.73 52.83 3gxi s ARG 353 Cb -0.14 -3.31 -0.05 0.00 0.52 0.00 0.00 34.95 31.96 3gxi s ARG 353 CO -0.08 -1.01 2.09 -0.51 0.02 0.00 0.00 175.30 175.81 3gxi s LEU 354 N 0.58 3.69 0.00 2.53 1.43 -1.26 -2.03 118.68 123.61 3gxi s LEU 354 Ca 0.12 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.22 3gxi s LEU 354 Cb -0.21 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.49 3gxi s LEU 354 CO -0.05 -1.71 0.00 0.61 0.23 0.00 0.00 176.35 175.43 3gxi n GLY 355 N 5.41 0.91 3.59 -3.19 0.00 -1.26 -4.24 105.19 106.40 3gxi n GLY 355 Ca 0.26 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 3gxi n GLY 355 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gxi s SER 356 N -2.03 5.65 0.22 1.61 0.15 -0.86 -0.79 113.70 117.64 3gxi s SER 356 Ca 0.00 1.17 -0.07 0.00 0.70 0.00 0.00 55.95 57.74 3gxi s SER 356 Cb 0.00 -2.52 0.17 0.00 -1.71 0.00 0.00 66.02 61.95 3gxi s SER 356 CO 0.00 -1.93 1.78 -0.25 1.20 0.00 0.00 173.24 174.04 3gxi h TRP 357 N 13.87 1.21 -0.81 3.44 2.91 -1.90 -3.10 115.95 131.57 3gxi h TRP 357 Ca -0.32 -0.09 0.12 0.00 1.13 0.00 0.00 58.89 59.73 3gxi h TRP 357 Cb 1.18 -0.36 -0.08 0.00 -0.51 0.00 0.00 29.16 29.38 3gxi h TRP 357 CO 0.97 0.92 0.42 0.22 -1.03 0.00 0.00 178.44 179.94 3gxi h ASP 358 N 1.15 0.54 0.17 2.65 3.58 -1.98 -0.73 116.42 121.80 3gxi h ASP 358 Ca 0.26 0.08 -0.12 0.00 0.42 0.00 0.00 57.03 57.67 3gxi h ASP 358 Cb 0.23 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 3gxi h ASP 358 CO -0.02 0.27 -0.42 0.03 -2.88 0.00 0.00 179.24 176.21 3gxi h ARG 359 N 0.65 0.33 0.16 0.28 3.08 -1.95 -1.48 114.38 115.45 3gxi h ARG 359 Ca 0.42 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 3gxi h ARG 359 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3gxi h ARG 359 CO -0.32 0.70 -0.08 0.78 -1.07 0.00 0.00 179.97 179.98 3gxi h GLY 360 N 1.20 -0.23 0.55 0.04 0.00 -1.31 -2.77 103.07 100.55 3gxi h GLY 360 Ca 0.02 0.08 0.13 0.00 0.00 0.00 0.00 47.33 47.57 3gxi h GLY 360 CO 0.07 -0.08 0.58 -0.33 0.00 0.00 0.00 176.54 176.78 3gxi h MET 361 N -0.31 0.72 -0.73 4.80 2.86 -0.83 -1.11 114.93 120.33 3gxi h MET 361 Ca -0.02 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 3gxi h MET 361 Cb 0.24 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 3gxi h MET 361 CO 0.04 0.48 0.34 1.96 1.06 0.00 0.00 176.91 180.78 3gxi h GLN 362 N 0.74 1.05 0.05 1.72 4.20 -1.01 0.12 115.11 121.98 3gxi h GLN 362 Ca 0.45 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 3gxi h GLN 362 Cb 0.65 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3gxi h GLN 362 CO -0.21 0.82 -0.02 1.88 -0.67 0.00 0.00 178.83 180.63 3gxi h TYR 363 N 1.04 -0.06 -0.40 2.96 -1.99 -1.00 -1.51 116.97 116.00 3gxi h TYR 363 Ca 0.25 -0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.93 3gxi h TYR 363 Cb 0.12 0.02 -0.02 0.00 2.00 0.00 0.00 36.73 38.86 3gxi h TYR 363 CO 0.01 0.22 0.05 0.66 -0.00 0.00 0.00 178.16 179.11 3gxi h SER 364 N -0.34 0.65 -0.67 3.88 4.64 -1.14 0.11 113.55 120.69 3gxi h SER 364 Ca -0.01 -0.27 0.07 0.00 -0.47 0.00 0.00 61.79 61.12 3gxi h SER 364 Cb 0.31 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 62.16 3gxi h SER 364 CO 0.01 0.76 0.35 -0.74 -0.87 0.00 0.00 176.83 176.33 3gxi h HIS 365 N 0.52 0.62 -0.03 4.77 -0.00 -0.80 -0.31 115.15 119.93 3gxi h HIS 365 Ca 0.12 0.03 -0.16 0.00 -0.00 0.00 0.00 60.37 60.36 3gxi h HIS 365 Cb 0.39 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.61 3gxi h HIS 365 CO 0.03 0.26 -0.70 1.03 -0.00 0.00 0.00 177.93 178.54 3gxi h SER 366 N 0.62 0.18 -0.31 3.26 0.87 -0.87 -1.19 113.55 116.09 3gxi h SER 366 Ca 0.32 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 3gxi h SER 366 Cb 0.27 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 3gxi h SER 366 CO -0.23 0.82 0.16 0.40 -0.53 0.00 0.00 176.83 177.46 3gxi h ILE 367 N 0.10 1.14 -0.16 2.23 2.04 -0.41 -1.05 117.51 121.40 3gxi h ILE 367 Ca -0.02 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.46 3gxi h ILE 367 Cb 1.25 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 3gxi h ILE 367 CO 0.10 0.15 0.09 0.40 0.00 0.00 0.00 178.15 178.89 3gxi h ILE 368 N 0.38 1.01 -0.39 -0.67 2.04 -0.77 -0.91 117.51 118.19 3gxi h ILE 368 Ca 0.11 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.92 3gxi h ILE 368 Cb 0.09 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3gxi h ILE 368 CO -0.02 0.03 0.24 0.74 0.00 0.00 0.00 178.15 179.15 3gxi h THR 369 N 0.19 1.06 -0.42 -0.27 2.02 -1.08 -0.44 112.91 113.96 3gxi h THR 369 Ca 0.06 -0.17 0.08 0.00 0.77 0.00 0.00 66.41 67.16 3gxi h THR 369 Cb 0.00 0.53 -0.07 0.00 -1.74 0.00 0.00 68.15 66.87 3gxi h THR 369 CO -0.04 0.09 -0.01 0.78 0.37 0.00 0.00 175.52 176.71 3gxi h ASN 370 N 0.49 -0.20 -0.48 4.18 -0.26 -1.01 -0.93 115.58 117.38 3gxi h ASN 370 Ca 0.15 0.10 -0.04 0.00 -0.56 0.00 0.00 56.30 55.96 3gxi h ASN 370 Cb -0.02 0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.40 3gxi h ASN 370 CO -0.06 -0.06 0.18 -0.07 -1.06 0.00 0.00 177.43 176.37 3gxi h LEU 371 N 0.10 0.71 -0.43 1.61 3.38 -0.45 -0.63 115.31 119.59 3gxi h LEU 371 Ca 0.21 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3gxi h LEU 371 Cb 0.30 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3gxi h LEU 371 CO -0.36 0.66 0.00 0.18 0.09 0.00 0.00 178.44 179.01 3gxi n LEU 372 N -4.32 0.74 -2.31 1.67 4.77 -0.24 -3.16 117.00 114.15 3gxi n LEU 372 Ca 0.04 0.63 -0.27 0.00 -0.03 0.00 0.00 56.01 56.38 3gxi n LEU 372 Cb 0.18 -0.47 0.02 0.00 -2.33 0.00 0.00 43.42 40.81 3gxi n LEU 372 CO 0.39 -0.41 0.37 -1.22 -1.33 0.00 0.00 177.39 175.18 3gxi n TYR 373 N -2.26 3.09 -0.95 -1.77 4.02 -0.37 -4.97 117.16 113.95 3gxi n TYR 373 Ca 0.03 -2.67 0.00 0.00 -0.01 0.00 0.00 57.90 55.25 3gxi n TYR 373 Cb 0.31 -0.37 0.00 0.00 -0.02 0.00 0.00 39.34 39.26 3gxi n TYR 373 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3gxi n HIS 374 N -0.61 0.00 -2.28 -0.72 8.25 -1.06 -4.66 115.22 114.14 3gxi n HIS 374 Ca 0.44 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.49 3gxi n HIS 374 Cb 0.76 -0.16 -0.03 0.00 1.12 0.00 0.00 29.99 31.68 3gxi n HIS 374 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3gxi s VAL 375 N -3.64 3.30 -0.63 1.59 1.01 -0.44 -4.46 120.40 117.14 3gxi s VAL 375 Ca 0.00 1.11 0.21 0.00 0.00 0.00 0.00 61.98 63.30 3gxi s VAL 375 Cb 0.00 -3.71 -0.27 0.00 0.00 0.00 0.00 36.38 32.40 3gxi s VAL 375 CO 0.00 0.18 0.73 1.33 0.00 0.00 0.00 175.10 177.35 3gxi n VAL 376 N 2.34 0.00 -3.72 2.92 0.24 0.76 -4.55 118.33 116.32 3gxi n VAL 376 Ca 0.05 -0.19 -0.01 0.00 -2.04 0.00 0.00 64.34 62.14 3gxi n VAL 376 Cb 0.43 0.62 -0.01 0.00 -1.47 0.00 0.00 33.84 33.42 3gxi n VAL 376 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3gxi s GLY 377 N -3.55 -0.26 -0.04 7.63 0.00 -1.26 0.69 107.32 110.53 3gxi s GLY 377 Ca 0.02 0.29 -0.01 0.00 0.00 0.00 0.00 44.72 45.02 3gxi s GLY 377 CO 0.88 0.48 0.07 -0.98 0.00 0.00 0.00 173.10 173.55 3gxi s TRP 378 N -2.80 -0.03 -0.24 1.90 0.51 -0.49 -0.55 118.94 117.25 3gxi s TRP 378 Ca 0.15 0.25 -0.04 0.00 -2.12 0.00 0.00 56.10 54.34 3gxi s TRP 378 Cb 0.01 -0.21 0.00 0.00 -0.81 0.00 0.00 33.47 32.46 3gxi s TRP 378 CO 0.00 -0.12 -0.02 0.99 -0.51 0.00 0.00 176.95 177.29 3gxi s THR 379 N 1.21 3.38 1.08 2.01 2.01 0.27 -0.07 115.64 125.53 3gxi s THR 379 Ca -0.08 -0.65 -0.16 0.00 0.31 0.00 0.00 61.69 61.11 3gxi s THR 379 Cb -0.13 -2.62 0.12 0.00 0.01 0.00 0.00 72.50 69.89 3gxi s THR 379 CO -0.04 0.30 0.31 -0.67 -0.69 0.00 0.00 174.62 173.84 3gxi n ASP 380 N 4.78 -2.09 0.00 3.53 2.03 0.60 0.12 116.55 125.52 3gxi n ASP 380 Ca -0.17 -0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.14 3gxi n ASP 380 Cb 0.49 -1.09 0.00 0.00 -0.72 0.00 0.00 41.12 39.81 3gxi n ASP 380 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 3gxi n TRP 381 N -4.32 0.00 -1.65 -0.67 -0.00 -1.26 -2.45 117.44 107.09 3gxi n TRP 381 Ca 0.03 0.00 -0.51 0.00 -0.00 0.00 0.00 57.50 57.02 3gxi n TRP 381 Cb 0.58 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.84 3gxi n TRP 381 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 3gxi n ASN 382 N 0.00 2.38 -0.08 5.87 3.02 -1.26 -0.29 115.26 124.91 3gxi n ASN 382 Ca 0.00 1.08 0.05 0.00 -0.03 0.00 0.00 54.58 55.69 3gxi n ASN 382 Cb 0.00 -1.26 0.40 0.00 -0.61 0.00 0.00 39.78 38.31 3gxi n ASN 382 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3gxi h LEU 383 N 6.03 0.54 -7.46 3.41 3.38 -1.43 -3.41 115.31 116.37 3gxi h LEU 383 Ca -0.47 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.38 3gxi h LEU 383 Cb 1.30 -0.13 -0.20 0.00 0.09 0.00 0.00 40.66 41.73 3gxi h LEU 383 CO 0.86 0.37 -0.22 0.00 0.09 0.00 0.00 178.44 179.54 3gxi s ALA 384 N -5.56 -0.89 0.13 1.53 0.00 -1.26 -3.77 121.76 111.94 3gxi s ALA 384 Ca -0.09 0.43 -0.01 0.00 0.00 0.00 0.00 51.96 52.29 3gxi s ALA 384 Cb 0.18 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 3gxi s ALA 384 CO 0.75 -0.27 0.06 -0.51 0.00 0.00 0.00 175.76 175.78 3gxi s LEU 385 N -1.32 1.78 0.91 0.00 1.43 -0.68 -3.73 118.68 117.07 3gxi s LEU 385 Ca -0.13 -1.19 -0.14 0.00 -1.03 0.00 0.00 54.13 51.64 3gxi s LEU 385 Cb -0.05 0.31 0.17 0.00 0.03 0.00 0.00 46.19 46.66 3gxi s LEU 385 CO 0.05 -0.73 1.26 0.54 0.23 0.00 0.00 176.35 177.71 3gxi s ASN 386 N -3.04 3.51 0.06 2.29 2.20 -0.33 -1.50 114.94 118.12 3gxi s ASN 386 Ca 0.23 0.32 0.15 0.00 -0.94 0.00 0.00 52.86 52.63 3gxi s ASN 386 Cb 0.07 -0.49 0.66 0.00 -2.00 0.00 0.00 41.25 39.49 3gxi s ASN 386 CO 0.01 -2.49 1.49 -2.65 -2.94 0.00 0.00 177.10 170.52 3gxi n PRO 387 N -3.59 0.04 -0.05 3.55 -0.02 -1.25 -1.33 135.00 132.35 3gxi n PRO 387 Ca 0.14 0.31 0.12 0.00 -2.02 0.00 0.00 63.50 62.05 3gxi n PRO 387 Cb 0.60 -1.58 0.43 0.00 -0.02 0.00 0.00 33.50 32.92 3gxi n PRO 387 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3gxi n GLU 388 N -1.66 1.74 -1.73 -0.52 4.71 -1.26 -4.63 120.64 117.29 3gxi n GLU 388 Ca 0.03 -1.10 -0.01 0.00 -0.01 0.00 0.00 57.16 56.06 3gxi n GLU 388 Cb 0.17 -1.44 -0.00 0.00 -1.01 0.00 0.00 31.44 29.16 3gxi n GLU 388 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gxi n GLY 389 N 1.17 0.36 0.96 0.62 0.00 -0.44 -4.79 105.19 103.08 3gxi n GLY 389 Ca 0.17 -0.89 -0.07 0.00 0.00 0.00 0.00 46.02 45.23 3gxi n GLY 389 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gxi n GLY 390 N -1.55 3.86 3.76 -0.02 0.00 -1.25 -4.61 105.19 105.38 3gxi n GLY 390 Ca -0.02 -1.98 -0.39 0.00 0.00 0.00 0.00 46.02 43.63 3gxi n GLY 390 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gxi s PRO 391 N -2.44 4.67 -0.03 1.61 0.04 -1.26 -1.19 135.00 136.39 3gxi s PRO 391 Ca 0.06 1.60 -0.01 0.00 0.04 0.00 0.00 61.00 62.69 3gxi s PRO 391 Cb 0.00 -3.11 0.03 0.00 0.04 0.00 0.00 34.50 31.46 3gxi s PRO 391 CO 0.04 0.30 0.05 1.21 0.04 0.00 0.00 177.00 178.64 3gxi s ASN 392 N -1.14 0.63 0.00 6.66 3.84 -1.26 -4.17 114.94 119.50 3gxi s ASN 392 Ca 0.45 0.06 0.23 0.00 0.21 0.00 0.00 52.86 53.82 3gxi s ASN 392 Cb -0.27 -0.10 1.01 0.00 -0.55 0.00 0.00 41.25 41.34 3gxi s ASN 392 CO 0.34 -0.19 1.74 -2.67 -2.79 0.00 0.00 177.10 173.53 3gxi n TRP 393 N 4.77 0.00 -0.01 0.43 4.27 -0.61 -4.15 117.44 122.14 3gxi n TRP 393 Ca -0.15 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.45 3gxi n TRP 393 Cb 0.50 -0.47 -0.00 0.00 -1.36 0.00 0.00 31.31 29.98 3gxi n TRP 393 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68 3gxi n VAL 394 N -1.47 0.30 -3.64 -1.67 0.31 -1.26 -5.10 118.33 105.80 3gxi n VAL 394 Ca 0.06 0.32 -0.06 0.00 -0.01 0.00 0.00 64.34 64.66 3gxi n VAL 394 Cb 0.26 -1.51 -0.07 0.00 -0.91 0.00 0.00 33.84 31.61 3gxi n VAL 394 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3gxi s ARG 395 N -1.35 0.48 0.01 5.55 3.52 -1.26 -5.15 118.95 120.76 3gxi s ARG 395 Ca -0.04 0.73 -0.30 0.00 -0.13 0.00 0.00 55.73 55.99 3gxi s ARG 395 Cb 0.01 0.15 -0.06 0.00 -1.56 0.00 0.00 34.95 33.49 3gxi s ARG 395 CO 0.06 -0.08 1.42 -0.80 -0.81 0.00 0.00 175.30 175.09 3gxi s ASN 396 N 1.00 6.83 0.00 -2.12 0.01 -1.26 -4.88 114.94 114.51 3gxi s ASN 396 Ca -0.05 2.15 0.00 0.00 -0.71 0.00 0.00 52.86 54.25 3gxi s ASN 396 Cb -0.04 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.06 3gxi s ASN 396 CO -0.12 -0.73 0.00 2.22 -1.51 0.00 0.00 177.10 176.95 3gxi n PHE 397 N 5.38 0.00 -4.39 2.20 -0.00 -1.26 -4.78 117.46 114.61 3gxi n PHE 397 Ca 0.13 0.00 -0.26 0.00 -0.00 0.00 0.00 57.45 57.32 3gxi n PHE 397 Cb 0.43 0.00 -0.12 0.00 -0.00 0.00 0.00 39.48 39.79 3gxi n PHE 397 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 3gxi s VAL 398 N 0.00 2.18 0.75 1.97 -7.23 -1.26 -3.54 120.40 113.27 3gxi s VAL 398 Ca 0.00 -1.93 -0.02 0.00 -1.81 0.00 0.00 61.98 58.22 3gxi s VAL 398 Cb 0.00 -2.00 0.13 0.00 0.56 0.00 0.00 36.38 35.07 3gxi s VAL 398 CO 0.00 -0.12 1.03 -0.62 -0.31 0.00 0.00 175.10 175.08 3gxi s ASP 399 N -2.52 4.23 -0.04 4.85 -1.08 -0.96 -4.60 116.67 116.54 3gxi s ASP 399 Ca 0.18 -0.29 -0.11 0.00 -0.52 0.00 0.00 52.55 51.80 3gxi s ASP 399 Cb -0.08 -0.06 0.02 0.00 -1.46 0.00 0.00 42.92 41.34 3gxi s ASP 399 CO 0.08 -1.95 0.26 -0.55 0.52 0.00 0.00 175.17 173.53 3gxi s SER 400 N -4.75 -0.18 0.64 -0.34 0.15 -1.26 -4.87 113.70 103.09 3gxi s SER 400 Ca 0.67 0.19 0.41 0.00 0.70 0.00 0.00 55.95 57.92 3gxi s SER 400 Cb -0.05 0.38 2.20 0.00 -1.71 0.00 0.00 66.02 66.84 3gxi s SER 400 CO 0.45 -0.31 2.30 -0.65 1.20 0.00 0.00 173.24 176.24 3gxi h PRO 401 N 4.61 0.00 -4.60 5.44 0.11 -1.80 -3.40 132.00 132.36 3gxi h PRO 401 Ca -0.29 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.29 3gxi h PRO 401 Cb 1.19 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.96 3gxi h PRO 401 CO 0.38 0.01 -0.82 0.42 -0.21 0.00 0.00 178.00 177.77 3gxi s ILE 402 N -4.14 1.24 -0.16 4.15 1.01 -1.25 -1.22 121.20 120.83 3gxi s ILE 402 Ca -0.04 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.10 3gxi s ILE 402 Cb 0.13 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.47 3gxi s ILE 402 CO 0.45 0.38 -0.19 -0.63 0.00 0.00 0.00 174.94 174.95 3gxi s ILE 403 N 0.76 2.30 -0.24 2.92 -1.09 -0.68 -1.69 121.20 123.48 3gxi s ILE 403 Ca -0.12 -0.89 -0.11 0.00 -2.23 0.00 0.00 60.65 57.30 3gxi s ILE 403 Cb -0.16 -1.95 -0.05 0.00 -1.58 0.00 0.00 42.46 38.72 3gxi s ILE 403 CO 0.03 0.53 0.18 -0.69 -1.23 0.00 0.00 174.94 173.76 3gxi s VAL 404 N 0.93 5.34 -0.66 2.92 1.01 -0.57 0.19 120.40 129.57 3gxi s VAL 404 Ca -0.04 0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.99 3gxi s VAL 404 Cb -0.15 -3.52 0.14 0.00 0.00 0.00 0.00 36.38 32.85 3gxi s VAL 404 CO -0.03 0.32 0.68 -0.62 0.00 0.00 0.00 175.10 175.45 3gxi s ASP 405 N 1.18 6.36 0.00 3.32 -1.08 -0.03 -3.90 116.67 122.52 3gxi s ASP 405 Ca 0.08 -1.90 0.08 0.00 -0.52 0.00 0.00 52.55 50.29 3gxi s ASP 405 Cb -0.14 -2.26 0.41 0.00 -1.46 0.00 0.00 42.92 39.48 3gxi s ASP 405 CO 0.06 -0.90 1.09 2.30 0.52 0.00 0.00 175.17 178.24 3gxi n ILE 406 N 5.07 0.71 0.18 4.11 -5.35 -1.26 -2.10 119.36 120.72 3gxi n ILE 406 Ca -0.03 0.18 0.11 0.00 -0.27 0.00 0.00 62.75 62.74 3gxi n ILE 406 Cb 0.43 -1.05 -0.11 0.00 -1.74 0.00 0.00 39.64 37.18 3gxi n ILE 406 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3gxi n THR 407 N -1.24 0.14 -0.13 7.28 -2.24 -1.26 -4.50 114.28 112.32 3gxi n THR 407 Ca 0.04 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3gxi n THR 407 Cb 0.06 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 3gxi n THR 407 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3gxi n LYS 408 N -2.23 1.95 -4.13 -0.78 5.02 -0.89 -5.00 118.16 112.11 3gxi n LYS 408 Ca -0.02 -1.19 -0.32 0.00 -2.02 0.00 0.00 58.31 54.76 3gxi n LYS 408 Cb 0.53 -0.93 -0.03 0.00 -0.02 0.00 0.00 35.03 34.57 3gxi n LYS 408 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3gxi n ASP 409 N -0.35 -2.00 -4.26 4.39 2.03 -1.12 -4.95 116.55 110.28 3gxi n ASP 409 Ca 0.00 -1.02 -0.20 0.00 0.52 0.00 0.00 54.79 54.09 3gxi n ASP 409 Cb 0.24 -2.81 -0.11 0.00 -0.72 0.00 0.00 41.12 37.71 3gxi n ASP 409 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3gxi s THR 410 N -3.60 1.48 0.09 5.18 -4.23 -1.15 -3.67 115.64 109.73 3gxi s THR 410 Ca 0.43 -1.72 0.04 0.00 -1.18 0.00 0.00 61.69 59.25 3gxi s THR 410 Cb -0.23 -1.58 -0.03 0.00 1.34 0.00 0.00 72.50 71.99 3gxi s THR 410 CO 0.92 -0.34 -0.10 0.72 -0.54 0.00 0.00 174.62 175.27 3gxi s PHE 411 N -1.97 1.05 -0.12 3.99 -0.12 -0.02 -0.85 117.98 119.94 3gxi s PHE 411 Ca 0.10 -0.61 0.03 0.00 -0.05 0.00 0.00 56.93 56.39 3gxi s PHE 411 Cb -0.06 -0.58 -0.00 0.00 -0.63 0.00 0.00 43.02 41.75 3gxi s PHE 411 CO 0.04 0.00 -0.21 0.71 -0.05 0.00 0.00 175.22 175.71 3gxi s TYR 412 N -2.19 2.65 -0.35 3.49 4.12 0.13 -0.85 117.35 124.36 3gxi s TYR 412 Ca 0.03 -1.06 -0.16 0.00 0.02 0.00 0.00 57.07 55.90 3gxi s TYR 412 Cb -0.04 -1.78 -0.01 0.00 -1.52 0.00 0.00 41.96 38.61 3gxi s TYR 412 CO 0.00 -0.44 0.38 0.15 0.02 0.00 0.00 175.55 175.66 3gxi s LYS 413 N 0.52 3.53 0.68 -0.62 1.02 -0.10 -1.69 119.74 123.09 3gxi s LYS 413 Ca -0.13 -0.42 -0.12 0.00 0.02 0.00 0.00 55.97 55.32 3gxi s LYS 413 Cb -0.17 -3.82 0.01 0.00 -0.52 0.00 0.00 37.83 33.33 3gxi s LYS 413 CO 0.05 -0.56 1.06 -0.65 -0.92 0.00 0.00 175.35 174.34 3gxi s GLN 414 N 2.05 2.92 0.43 1.68 -1.52 -0.36 -1.40 119.66 123.47 3gxi s GLN 414 Ca 0.12 1.04 0.20 0.00 -1.95 0.00 0.00 55.36 54.77 3gxi s GLN 414 Cb -0.16 -1.99 1.16 0.00 -0.22 0.00 0.00 33.01 31.80 3gxi s GLN 414 CO 0.12 -1.12 1.84 -1.35 -0.25 0.00 0.00 175.29 174.53 3gxi h PRO 415 N -0.53 0.33 -0.84 2.91 0.11 -1.80 -0.99 132.00 131.19 3gxi h PRO 415 Ca -0.44 -0.02 0.15 0.00 0.11 0.00 0.00 66.00 65.80 3gxi h PRO 415 Cb 1.22 -0.07 -0.10 0.00 0.11 0.00 0.00 31.00 32.15 3gxi h PRO 415 CO 0.56 0.22 0.42 0.52 -0.21 0.00 0.00 178.00 179.50 3gxi h MET 416 N 0.34 0.56 -0.34 1.05 2.86 -1.87 -0.08 114.93 117.44 3gxi h MET 416 Ca 0.49 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 58.16 3gxi h MET 416 Cb 1.33 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 32.81 3gxi h MET 416 CO -0.17 0.37 -0.02 0.35 1.06 0.00 0.00 176.91 178.50 3gxi h PHE 417 N 0.57 -0.06 -0.27 -0.22 3.57 -1.37 -0.27 116.94 118.89 3gxi h PHE 417 Ca 0.47 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.82 3gxi h PHE 417 Cb 0.70 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.52 3gxi h PHE 417 CO -0.11 -0.09 -0.50 1.88 -2.23 0.00 0.00 178.31 177.27 3gxi h TYR 418 N 0.07 1.03 -0.84 0.41 -1.99 -1.36 -0.69 116.97 113.60 3gxi h TYR 418 Ca 0.17 -0.37 0.01 0.00 2.00 0.00 0.00 58.73 60.54 3gxi h TYR 418 Cb 0.24 -0.19 -0.04 0.00 2.00 0.00 0.00 36.73 38.73 3gxi h TYR 418 CO -0.26 1.18 0.56 0.45 -0.00 0.00 0.00 178.16 180.08 3gxi h HIS 419 N 0.58 1.06 0.03 4.88 3.86 -0.82 -0.90 115.15 123.84 3gxi h HIS 419 Ca 0.01 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.27 3gxi h HIS 419 Cb 1.11 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 29.20 3gxi h HIS 419 CO 0.08 0.66 -0.12 -0.07 0.86 0.00 0.00 177.93 179.34 3gxi h LEU 420 N 1.13 -0.34 -1.63 2.43 3.38 -0.98 -3.21 115.31 116.10 3gxi h LEU 420 Ca 0.31 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.36 3gxi h LEU 420 Cb -0.12 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3gxi h LEU 420 CO -0.07 -0.17 0.29 1.23 0.09 0.00 0.00 178.44 179.81 3gxi h GLY 421 N -0.22 0.55 1.51 0.83 0.00 -0.56 -0.10 103.07 105.09 3gxi h GLY 421 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.17 3gxi h GLY 421 CO -0.10 0.17 0.24 0.45 0.00 0.00 0.00 176.54 177.30 3gxi h HIS 422 N 0.49 0.00 0.00 5.60 3.86 -1.18 -0.98 115.15 122.95 3gxi h HIS 422 Ca 0.18 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.27 3gxi h HIS 422 Cb 0.10 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 3gxi h HIS 422 CO -0.00 0.00 -1.25 1.19 0.86 0.00 0.00 177.93 178.73 3gxi n PHE 423 N -2.87 0.00 -0.19 2.45 3.01 -0.45 -4.62 117.46 114.79 3gxi n PHE 423 Ca -0.02 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.49 3gxi n PHE 423 Cb 0.29 -0.52 0.33 0.00 -0.01 0.00 0.00 39.48 39.57 3gxi n PHE 423 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3gxi h SER 424 N -0.77 0.70 0.68 4.37 4.64 -0.99 -1.64 113.55 120.55 3gxi h SER 424 Ca -0.18 -0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.02 3gxi h SER 424 Cb 1.01 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.93 3gxi h SER 424 CO -0.11 0.47 -0.53 0.50 -0.87 0.00 0.00 176.83 176.29 3gxi h LYS 425 N 0.81 0.00 -0.00 4.77 3.64 -0.68 -3.34 116.57 121.76 3gxi h LYS 425 Ca 0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 3gxi h LYS 425 Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3gxi h LYS 425 CO -0.10 0.53 0.00 1.19 -2.27 0.00 0.00 179.45 178.80 3gxi n PHE 426 N -3.73 0.00 -3.76 1.91 3.01 -0.85 -4.79 117.46 109.27 3gxi n PHE 426 Ca -0.01 -0.33 -0.29 0.00 1.01 0.00 0.00 57.45 57.83 3gxi n PHE 426 Cb 0.57 -0.03 -0.12 0.00 -0.01 0.00 0.00 39.48 39.89 3gxi n PHE 426 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3gxi s ILE 427 N -0.67 1.92 0.85 4.37 1.01 -0.67 -4.90 121.20 123.11 3gxi s ILE 427 Ca 0.00 -3.31 -0.10 0.00 0.00 0.00 0.00 60.65 57.23 3gxi s ILE 427 Cb 0.00 -2.30 0.11 0.00 0.01 0.00 0.00 42.46 40.28 3gxi s ILE 427 CO 0.00 -0.99 1.12 -2.16 0.00 0.00 0.00 174.94 172.91 3gxi s PRO 428 N -0.46 1.56 0.26 2.79 0.04 -1.26 -4.85 135.00 133.08 3gxi s PRO 428 Ca 0.23 1.32 -0.31 0.00 0.04 0.00 0.00 61.00 62.29 3gxi s PRO 428 Cb -0.12 -1.81 -0.13 0.00 0.04 0.00 0.00 34.50 32.48 3gxi s PRO 428 CO -0.10 -2.18 1.41 -1.91 0.04 0.00 0.00 177.00 174.26 3gxi n GLU 429 N -3.90 2.12 0.00 4.56 2.13 -1.26 -1.97 120.64 122.32 3gxi n GLU 429 Ca 0.10 0.75 0.00 0.00 0.66 0.00 0.00 57.16 58.67 3gxi n GLU 429 Cb 0.53 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.83 3gxi n GLU 429 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gxi n GLY 430 N 1.94 1.17 3.65 8.31 0.00 0.75 -4.84 105.19 116.17 3gxi n GLY 430 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3gxi n GLY 430 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gxi n SER 431 N 0.00 1.31 -4.20 1.61 7.64 -0.83 -4.40 113.62 114.75 3gxi n SER 431 Ca 0.00 0.86 -0.31 0.00 1.01 0.00 0.00 58.87 60.44 3gxi n SER 431 Cb 0.00 -1.44 -0.17 0.00 -1.01 0.00 0.00 64.21 61.59 3gxi n SER 431 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3gxi s GLN 432 N -2.77 2.71 0.30 1.43 0.74 0.32 -0.55 119.66 121.85 3gxi s GLN 432 Ca 0.74 -0.82 -0.29 0.00 0.05 0.00 0.00 55.36 55.05 3gxi s GLN 432 Cb -0.43 -2.12 -0.10 0.00 1.10 0.00 0.00 33.01 31.46 3gxi s GLN 432 CO 0.48 0.21 1.31 0.50 -0.55 0.00 0.00 175.29 177.24 3gxi s ARG 433 N 0.24 4.37 0.37 1.67 3.52 -0.27 -0.47 118.95 128.38 3gxi s ARG 433 Ca -0.14 2.18 0.04 0.00 -0.13 0.00 0.00 55.73 57.68 3gxi s ARG 433 Cb -0.16 -3.10 -0.04 0.00 -1.56 0.00 0.00 34.95 30.09 3gxi s ARG 433 CO 0.07 -0.19 0.11 0.14 -0.81 0.00 0.00 175.30 174.62 3gxi s VAL 434 N -0.87 0.71 0.57 7.11 -7.23 -0.49 -0.46 120.40 119.73 3gxi s VAL 434 Ca 0.51 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.50 3gxi s VAL 434 Cb -0.39 -2.48 -0.05 0.00 0.56 0.00 0.00 36.38 34.02 3gxi s VAL 434 CO 0.49 0.00 1.08 -0.83 -0.31 0.00 0.00 175.10 175.54 3gxi s GLY 435 N -3.54 2.37 -0.26 2.32 0.00 -0.63 -4.36 107.32 103.21 3gxi s GLY 435 Ca 0.28 0.60 -0.01 0.00 0.00 0.00 0.00 44.72 45.59 3gxi s GLY 435 CO 0.15 0.94 0.36 -2.27 0.00 0.00 0.00 173.10 172.28 3gxi s LEU 436 N -4.14 -0.58 -0.23 0.66 2.96 -1.26 -0.88 118.68 115.20 3gxi s LEU 436 Ca 0.68 -0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 54.36 3gxi s LEU 436 Cb -0.19 0.98 -0.05 0.00 0.50 0.00 0.00 46.19 47.43 3gxi s LEU 436 CO 0.31 -0.33 0.24 -0.69 -1.32 0.00 0.00 176.35 174.56 3gxi s VAL 437 N 2.50 5.31 0.05 1.68 1.01 -0.21 -4.84 120.40 125.90 3gxi s VAL 437 Ca 0.11 0.34 -0.27 0.00 0.00 0.00 0.00 61.98 62.17 3gxi s VAL 437 Cb -0.14 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 3gxi s VAL 437 CO -0.22 0.31 0.83 0.00 0.00 0.00 0.00 175.10 176.03 3gxi s ALA 438 N 1.17 3.31 -0.33 5.51 0.00 -1.26 -0.60 121.76 129.56 3gxi s ALA 438 Ca 0.11 0.37 0.27 0.00 0.00 0.00 0.00 51.96 52.72 3gxi s ALA 438 Cb -0.14 -3.10 0.98 0.00 0.00 0.00 0.00 23.12 20.86 3gxi s ALA 438 CO 0.06 -0.01 1.80 0.66 0.00 0.00 0.00 175.76 178.27 3gxi h SER 439 N 5.87 0.00 -4.91 0.00 4.64 -1.26 -3.46 113.55 114.42 3gxi h SER 439 Ca -0.43 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.91 3gxi h SER 439 Cb 1.21 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.17 3gxi h SER 439 CO 0.72 0.00 0.30 0.00 -0.87 0.00 0.00 176.83 176.98 3gxi s GLN 440 N -3.38 1.17 0.37 4.77 -2.07 -1.26 -4.98 119.66 114.28 3gxi s GLN 440 Ca 0.05 -0.45 -0.27 0.00 -1.82 0.00 0.00 55.36 52.86 3gxi s GLN 440 Cb 0.09 0.53 -0.11 0.00 -1.09 0.00 0.00 33.01 32.42 3gxi s GLN 440 CO 0.52 -0.51 1.32 1.17 -1.32 0.00 0.00 175.29 176.46 3gxi n LYS 441 N -0.35 2.17 -3.92 9.60 4.81 -1.26 -4.97 118.16 124.25 3gxi n LYS 441 Ca -0.14 0.76 -0.09 0.00 -0.87 0.00 0.00 58.31 57.98 3gxi n LYS 441 Cb 0.64 -2.40 -0.02 0.00 0.02 0.00 0.00 35.03 33.26 3gxi n LYS 441 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3gxi s ASN 442 N -0.33 0.00 0.00 3.14 2.20 -1.26 -5.06 114.94 113.63 3gxi s ASN 442 Ca 0.56 -0.95 0.16 0.00 -0.94 0.00 0.00 52.86 51.70 3gxi s ASN 442 Cb -0.54 0.71 0.31 0.00 -2.00 0.00 0.00 41.25 39.74 3gxi s ASN 442 CO 0.62 -1.36 1.22 0.47 -2.94 0.00 0.00 177.10 175.10 3gxi n ASP 443 N -0.79 2.94 -4.84 3.54 8.00 -1.26 -5.00 116.55 119.15 3gxi n ASP 443 Ca -0.04 -1.86 -0.32 0.00 0.71 0.00 0.00 54.79 53.27 3gxi n ASP 443 Cb 0.60 -0.19 -0.06 0.00 -0.02 0.00 0.00 41.12 41.45 3gxi n ASP 443 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gxi s LEU 444 N -1.17 3.93 -0.22 0.64 1.43 -1.26 -4.64 118.68 117.39 3gxi s LEU 444 Ca 0.28 1.48 -0.09 0.00 -1.03 0.00 0.00 54.13 54.77 3gxi s LEU 444 Cb 0.16 -4.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.01 3gxi s LEU 444 CO 0.22 -0.34 0.11 -1.81 0.23 0.00 0.00 176.35 174.76 3gxi s ASP 445 N -2.42 5.74 0.01 2.29 1.01 -0.29 -4.98 116.67 118.02 3gxi s ASP 445 Ca 0.58 0.04 -0.04 0.00 0.71 0.00 0.00 52.55 53.84 3gxi s ASP 445 Cb -0.10 -2.02 -0.01 0.00 1.01 0.00 0.00 42.92 41.81 3gxi s ASP 445 CO 0.19 0.09 0.06 0.00 0.21 0.00 0.00 175.17 175.71 3gxi s ALA 446 N 0.91 -0.13 -0.09 5.23 0.00 -1.26 0.13 121.76 126.56 3gxi s ALA 446 Ca 0.05 -0.29 -0.14 0.00 0.00 0.00 0.00 51.96 51.58 3gxi s ALA 446 Cb -0.13 0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.12 3gxi s ALA 446 CO 0.03 -0.17 0.36 0.54 0.00 0.00 0.00 175.76 176.52 3gxi s VAL 447 N -1.29 0.02 -0.01 0.00 0.11 -0.84 -5.00 120.40 113.40 3gxi s VAL 447 Ca -0.14 -0.18 0.07 0.00 -2.93 0.00 0.00 61.98 58.80 3gxi s VAL 447 Cb -0.08 -0.57 -0.02 0.00 -1.53 0.00 0.00 36.38 34.17 3gxi s VAL 447 CO 0.00 -0.10 -0.23 0.00 -3.33 0.00 0.00 175.10 171.44 3gxi s ALA 448 N -0.44 2.32 0.09 1.54 0.00 -1.26 -1.52 121.76 122.49 3gxi s ALA 448 Ca -0.06 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 50.79 3gxi s ALA 448 Cb -0.04 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 3gxi s ALA 448 CO 0.02 0.54 -0.06 -0.51 0.00 0.00 0.00 175.76 175.75 3gxi s LEU 449 N -0.84 2.49 -0.14 0.00 1.02 0.40 -1.40 118.68 120.20 3gxi s LEU 449 Ca 0.11 -0.97 -0.00 0.00 0.02 0.00 0.00 54.13 53.29 3gxi s LEU 449 Cb -0.10 -0.05 -0.01 0.00 0.02 0.00 0.00 46.19 46.05 3gxi s LEU 449 CO 0.01 -0.46 -0.14 -0.32 0.02 0.00 0.00 176.35 175.46 3gxi s MET 450 N -3.65 3.32 0.79 1.70 1.75 0.38 -1.18 119.30 122.41 3gxi s MET 450 Ca 0.09 -0.71 -0.14 0.00 -1.25 0.00 0.00 55.69 53.69 3gxi s MET 450 Cb 0.04 -2.63 0.07 0.00 2.84 0.00 0.00 34.83 35.15 3gxi s MET 450 CO -0.05 0.13 1.20 -1.01 -0.65 0.00 0.00 175.02 174.64 3gxi s HIS 451 N 0.55 1.88 0.42 4.11 3.76 0.21 -0.52 115.29 125.70 3gxi s HIS 451 Ca -0.09 1.65 0.21 0.00 -0.15 0.00 0.00 55.06 56.69 3gxi s HIS 451 Cb -0.16 -3.47 1.17 0.00 1.11 0.00 0.00 32.58 31.23 3gxi s HIS 451 CO 0.04 -2.77 1.78 -1.35 -0.85 0.00 0.00 174.74 171.59 3gxi h PRO 452 N -0.78 0.32 -0.00 8.40 0.11 -1.89 -0.09 132.00 138.08 3gxi h PRO 452 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3gxi h PRO 452 Cb 1.29 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3gxi h PRO 452 CO 0.47 0.21 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 3gxi n ASP 453 N -4.56 0.04 0.00 -2.05 5.68 -1.26 -4.89 116.55 109.51 3gxi n ASP 453 Ca 0.25 -1.17 0.00 0.00 -0.50 0.00 0.00 54.79 53.37 3gxi n ASP 453 Cb 0.92 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.89 3gxi n ASP 453 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gxi n GLY 454 N 0.93 0.72 3.83 6.12 0.00 -0.05 -5.04 105.19 111.70 3gxi n GLY 454 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 3gxi n GLY 454 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gxi s SER 455 N -3.00 6.30 0.02 1.61 1.04 -1.26 -4.53 113.70 113.88 3gxi s SER 455 Ca 0.00 1.67 -0.14 0.00 0.48 0.00 0.00 55.95 57.96 3gxi s SER 455 Cb 0.00 -2.52 -0.06 0.00 0.10 0.00 0.00 66.02 63.54 3gxi s SER 455 CO 0.00 -0.81 0.42 0.00 0.98 0.00 0.00 173.24 173.83 3gxi s ALA 456 N -2.54 3.69 -0.06 5.32 0.00 -0.03 -0.62 121.76 127.53 3gxi s ALA 456 Ca 0.61 -0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.39 3gxi s ALA 456 Cb -0.12 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.61 3gxi s ALA 456 CO 0.33 0.49 -0.16 0.54 0.00 0.00 0.00 175.76 176.95 3gxi s VAL 457 N -1.13 1.40 -0.05 0.00 0.11 -0.32 -1.63 120.40 118.77 3gxi s VAL 457 Ca 0.25 -0.67 0.01 0.00 -2.93 0.00 0.00 61.98 58.64 3gxi s VAL 457 Cb -0.16 -1.22 0.02 0.00 -1.53 0.00 0.00 36.38 33.48 3gxi s VAL 457 CO 0.14 0.41 -0.04 -0.69 -3.33 0.00 0.00 175.10 171.59 3gxi s VAL 458 N 0.27 0.57 -0.11 2.04 1.01 -0.32 -0.45 120.40 123.41 3gxi s VAL 458 Ca -0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 3gxi s VAL 458 Cb -0.14 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 3gxi s VAL 458 CO 0.03 0.25 -0.04 -0.69 0.00 0.00 0.00 175.10 174.66 3gxi s VAL 459 N 1.15 3.96 -0.14 2.92 1.01 -0.57 -0.28 120.40 128.44 3gxi s VAL 459 Ca -0.07 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 3gxi s VAL 459 Cb -0.14 -2.68 0.03 0.00 0.00 0.00 0.00 36.38 33.59 3gxi s VAL 459 CO -0.01 0.55 -0.09 -0.69 0.00 0.00 0.00 175.10 174.86 3gxi s VAL 460 N -0.32 1.26 -0.16 2.92 1.01 -0.36 -1.99 120.40 122.76 3gxi s VAL 460 Ca 0.06 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 3gxi s VAL 460 Cb -0.12 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 3gxi s VAL 460 CO 0.02 0.31 0.01 -0.22 0.00 0.00 0.00 175.10 175.23 3gxi s LEU 461 N 1.60 3.57 -0.40 3.92 2.96 0.12 -1.12 118.68 129.32 3gxi s LEU 461 Ca 0.03 0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3gxi s LEU 461 Cb -0.14 -1.87 0.11 0.00 0.50 0.00 0.00 46.19 44.79 3gxi s LEU 461 CO -0.09 0.21 0.19 0.21 -1.32 0.00 0.00 176.35 175.55 3gxi s ASN 462 N 0.16 5.22 0.00 3.68 3.84 -0.54 -1.14 114.94 126.16 3gxi s ASN 462 Ca 0.02 -2.03 0.30 0.00 0.21 0.00 0.00 52.86 51.36 3gxi s ASN 462 Cb -0.13 -1.81 1.56 0.00 -0.55 0.00 0.00 41.25 40.31 3gxi s ASN 462 CO 0.02 -0.53 2.04 0.54 -2.79 0.00 0.00 177.10 176.37 3gxi n ARG 463 N 4.57 0.99 -3.06 0.43 1.74 -1.26 -2.05 116.66 118.02 3gxi n ARG 463 Ca -0.02 -0.23 -0.18 0.00 -0.77 0.00 0.00 57.85 56.65 3gxi n ARG 463 Cb 0.41 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.37 3gxi n ARG 463 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3gxi s SER 464 N -2.17 5.69 0.11 0.55 1.04 -1.26 -4.74 113.70 112.92 3gxi s SER 464 Ca 0.40 -0.31 0.27 0.00 0.48 0.00 0.00 55.95 56.79 3gxi s SER 464 Cb 0.21 -0.82 0.88 0.00 0.10 0.00 0.00 66.02 66.39 3gxi s SER 464 CO 0.40 -0.73 1.75 -1.54 0.98 0.00 0.00 173.24 174.09 3gxi n SER 465 N -1.87 0.50 -4.77 7.02 3.41 -1.26 -0.29 113.62 116.35 3gxi n SER 465 Ca 0.06 0.44 -0.36 0.00 -0.26 0.00 0.00 58.87 58.75 3gxi n SER 465 Cb 0.59 -0.51 -0.07 0.00 -0.26 0.00 0.00 64.21 63.96 3gxi n SER 465 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3gxi s LYS 466 N -3.07 4.01 0.29 4.33 1.02 -1.26 -4.28 119.74 120.78 3gxi s LYS 466 Ca 0.11 -0.04 -0.30 0.00 0.02 0.00 0.00 55.97 55.76 3gxi s LYS 466 Cb 0.15 -3.35 -0.12 0.00 -0.52 0.00 0.00 37.83 33.99 3gxi s LYS 466 CO 0.60 0.43 1.60 -0.25 -0.92 0.00 0.00 175.35 176.80 3gxi n ASP 467 N 3.02 3.84 -4.11 2.83 9.92 -1.26 -3.82 116.55 126.97 3gxi n ASP 467 Ca -0.15 1.14 -0.33 0.00 -0.53 0.00 0.00 54.79 54.92 3gxi n ASP 467 Cb 0.53 -1.59 -0.15 0.00 -0.64 0.00 0.00 41.12 39.27 3gxi n ASP 467 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3gxi s VAL 468 N 0.07 2.19 0.46 2.53 1.01 0.13 -4.90 120.40 121.90 3gxi s VAL 468 Ca 0.65 -1.26 -0.23 0.00 0.00 0.00 0.00 61.98 61.14 3gxi s VAL 468 Cb -0.50 -2.11 -0.07 0.00 0.00 0.00 0.00 36.38 33.70 3gxi s VAL 468 CO 0.47 0.25 1.20 -2.16 0.00 0.00 0.00 175.10 174.87 3gxi s PRO 469 N 1.21 3.71 -0.11 2.72 0.04 -1.26 -0.20 135.00 141.11 3gxi s PRO 469 Ca -0.02 1.87 -0.08 0.00 0.04 0.00 0.00 61.00 62.81 3gxi s PRO 469 Cb -0.16 -2.43 0.03 0.00 0.04 0.00 0.00 34.50 31.98 3gxi s PRO 469 CO -0.09 -0.62 0.27 -1.17 0.04 0.00 0.00 177.00 175.44 3gxi s LEU 470 N -3.01 0.73 -0.00 -3.56 2.96 -0.70 -3.93 118.68 111.17 3gxi s LEU 470 Ca 0.64 0.56 0.06 0.00 -0.22 0.00 0.00 54.13 55.16 3gxi s LEU 470 Cb -0.31 0.89 -0.03 0.00 0.50 0.00 0.00 46.19 47.24 3gxi s LEU 470 CO 0.38 -0.12 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.22 3gxi s THR 471 N 0.57 2.84 -0.18 3.68 2.01 -0.69 -0.75 115.64 123.13 3gxi s THR 471 Ca -0.04 -0.99 -0.01 0.00 0.31 0.00 0.00 61.69 60.97 3gxi s THR 471 Cb -0.05 -2.15 -0.00 0.00 0.01 0.00 0.00 72.50 70.31 3gxi s THR 471 CO -0.03 0.46 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.60 3gxi s ILE 472 N -0.82 2.79 -0.22 1.82 1.01 0.12 -0.72 121.20 125.18 3gxi s ILE 472 Ca 0.13 -0.71 -0.09 0.00 0.00 0.00 0.00 60.65 59.98 3gxi s ILE 472 Cb -0.10 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 3gxi s ILE 472 CO 0.03 0.50 0.10 -0.75 0.00 0.00 0.00 174.94 174.82 3gxi s LYS 473 N 1.04 3.95 -0.31 2.79 2.20 0.23 -0.10 119.74 129.54 3gxi s LYS 473 Ca -0.01 -0.34 -0.08 0.00 -0.36 0.00 0.00 55.97 55.18 3gxi s LYS 473 Cb -0.15 -3.37 0.01 0.00 -1.51 0.00 0.00 37.83 32.81 3gxi s LYS 473 CO -0.03 0.09 0.11 0.34 -0.36 0.00 0.00 175.35 175.50 3gxi s ASP 474 N 0.91 5.29 0.58 1.43 -1.08 -0.32 -0.35 116.67 123.13 3gxi s ASP 474 Ca 0.05 -0.72 0.28 0.00 -0.52 0.00 0.00 52.55 51.65 3gxi s ASP 474 Cb -0.13 -1.92 1.51 0.00 -1.46 0.00 0.00 42.92 40.92 3gxi s ASP 474 CO 0.03 -0.22 1.98 -0.65 0.52 0.00 0.00 175.17 176.83 3gxi h PRO 475 N 8.28 0.00 0.00 4.34 0.11 -1.84 0.29 132.00 143.18 3gxi h PRO 475 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3gxi h PRO 475 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3gxi h PRO 475 CO 0.61 0.00 -0.42 0.00 -0.21 0.00 0.00 178.00 177.98 3gxi h ALA 476 N 1.61 0.77 0.00 -0.75 0.00 -1.94 -3.42 119.26 115.52 3gxi h ALA 476 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3gxi h ALA 476 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3gxi h ALA 476 CO -0.00 0.00 -0.65 0.28 0.00 0.00 0.00 179.25 178.88 3gxi n VAL 477 N -2.59 0.00 0.00 0.00 0.31 -0.32 -5.01 118.33 110.72 3gxi n VAL 477 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3gxi n VAL 477 Cb 0.49 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 3gxi n VAL 477 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gxi n GLY 478 N 2.67 0.60 3.28 2.92 0.00 -0.06 -4.67 105.19 109.92 3gxi n GLY 478 Ca 0.00 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 3gxi n GLY 478 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gxi s PHE 479 N -3.57 2.69 -0.41 1.61 0.40 0.10 -1.17 117.98 117.63 3gxi s PHE 479 Ca 0.00 -0.92 -0.14 0.00 -0.60 0.00 0.00 56.93 55.27 3gxi s PHE 479 Cb 0.00 -1.79 0.03 0.00 0.51 0.00 0.00 43.02 41.77 3gxi s PHE 479 CO 0.00 -0.36 0.29 -1.17 0.70 0.00 0.00 175.22 174.68 3gxi s LEU 480 N 0.43 5.10 -0.14 -0.37 0.20 0.86 -1.56 118.68 123.20 3gxi s LEU 480 Ca -0.14 -0.96 -0.17 0.00 0.69 0.00 0.00 54.13 53.56 3gxi s LEU 480 Cb -0.17 -2.14 -0.04 0.00 -0.43 0.00 0.00 46.19 43.41 3gxi s LEU 480 CO 0.06 -0.46 0.44 -1.61 -0.29 0.00 0.00 176.35 174.50 3gxi s GLU 481 N 1.66 4.29 0.32 1.98 0.41 -1.26 -0.70 118.70 125.40 3gxi s GLU 481 Ca 0.04 0.36 -0.05 0.00 -0.41 0.00 0.00 54.97 54.91 3gxi s GLU 481 Cb -0.20 -3.46 0.02 0.00 -1.78 0.00 0.00 34.13 28.72 3gxi s GLU 481 CO 0.09 0.11 0.52 -2.37 -0.49 0.00 0.00 175.26 173.12 3gxi n THR 482 N 3.83 0.00 -3.90 3.63 5.66 0.07 -5.02 114.28 118.55 3gxi n THR 482 Ca -0.08 -1.35 -0.16 0.00 -3.05 0.00 0.00 64.05 59.42 3gxi n THR 482 Cb 0.51 0.94 -0.16 0.00 -1.55 0.00 0.00 70.33 70.08 3gxi n THR 482 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3gxi s ILE 483 N -2.59 0.11 -0.60 1.09 1.01 -1.26 -1.72 121.20 117.25 3gxi s ILE 483 Ca 0.22 0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.76 3gxi s ILE 483 Cb -0.02 -0.20 0.09 0.00 0.01 0.00 0.00 42.46 42.35 3gxi s ILE 483 CO 0.16 0.11 0.74 -0.55 0.00 0.00 0.00 174.94 175.40 3gxi s SER 484 N 0.82 6.19 0.77 3.58 0.15 0.72 -4.95 113.70 120.98 3gxi s SER 484 Ca -0.08 -1.31 -0.15 0.00 0.70 0.00 0.00 55.95 55.12 3gxi s SER 484 Cb -0.11 -2.32 0.05 0.00 -1.71 0.00 0.00 66.02 61.93 3gxi s SER 484 CO -0.02 -1.15 1.17 -2.65 1.20 0.00 0.00 173.24 171.79 3gxi n PRO 485 N 6.56 0.40 -1.74 5.44 -0.02 -1.26 -0.69 135.00 143.69 3gxi n PRO 485 Ca -0.08 0.21 -0.40 0.00 -2.02 0.00 0.00 63.50 61.20 3gxi n PRO 485 Cb 0.43 -2.42 0.02 0.00 -0.02 0.00 0.00 33.50 31.51 3gxi n PRO 485 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gxi n GLY 486 N 0.71 0.84 3.67 -1.23 0.00 -1.25 -2.87 105.19 105.07 3gxi n GLY 486 Ca 0.14 0.16 -0.22 0.00 0.00 0.00 0.00 46.02 46.10 3gxi n GLY 486 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxi n TYR 487 N -0.33 -1.94 -4.27 1.61 0.53 0.60 -4.79 117.16 108.57 3gxi n TYR 487 Ca 0.06 0.79 -0.15 0.00 -1.02 0.00 0.00 57.90 57.59 3gxi n TYR 487 Cb 0.41 -4.23 -0.10 0.00 -1.03 0.00 0.00 39.34 34.39 3gxi n TYR 487 CO 0.00 0.00 0.00 -1.54 -1.02 0.00 0.00 176.86 174.30 3gxi s SER 488 N -4.18 1.51 -0.02 7.72 1.04 -0.95 -1.59 113.70 117.23 3gxi s SER 488 Ca 0.10 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.38 3gxi s SER 488 Cb -0.03 0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.17 3gxi s SER 488 CO 0.82 -0.50 0.01 -0.51 0.98 0.00 0.00 173.24 174.04 3gxi s ILE 489 N -3.52 0.10 0.03 -1.02 2.07 -0.27 -1.47 121.20 117.11 3gxi s ILE 489 Ca 0.23 0.10 0.09 0.00 -1.41 0.00 0.00 60.65 59.65 3gxi s ILE 489 Cb 0.05 -0.19 -0.03 0.00 0.13 0.00 0.00 42.46 42.43 3gxi s ILE 489 CO 0.04 0.11 -0.25 -1.00 -1.91 0.00 0.00 174.94 171.93 3gxi s HIS 490 N 0.84 2.24 -0.15 3.50 3.76 -0.27 -1.24 115.29 123.97 3gxi s HIS 490 Ca -0.08 -0.41 0.01 0.00 -0.15 0.00 0.00 55.06 54.43 3gxi s HIS 490 Cb -0.11 -1.37 0.01 0.00 1.11 0.00 0.00 32.58 32.21 3gxi s HIS 490 CO -0.02 0.07 -0.18 0.99 -0.85 0.00 0.00 174.74 174.75 3gxi s THR 491 N -0.74 2.36 -0.10 1.30 2.01 0.19 -1.22 115.64 119.43 3gxi s THR 491 Ca 0.11 -0.87 -0.03 0.00 0.31 0.00 0.00 61.69 61.20 3gxi s THR 491 Cb -0.10 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 3gxi s THR 491 CO 0.01 0.53 0.03 -0.31 -0.69 0.00 0.00 174.62 174.19 3gxi s TYR 492 N 0.86 3.25 0.00 4.92 1.51 0.62 -0.51 117.35 128.00 3gxi s TYR 492 Ca -0.05 0.23 0.03 0.00 -1.01 0.00 0.00 57.07 56.26 3gxi s TYR 492 Cb -0.15 -1.85 -0.01 0.00 -0.11 0.00 0.00 41.96 39.84 3gxi s TYR 492 CO -0.02 0.47 -0.09 -0.51 -1.11 0.00 0.00 175.55 174.30 3gxi s LEU 493 N -0.75 2.05 -0.04 -1.29 1.02 -0.07 -1.17 118.68 118.43 3gxi s LEU 493 Ca 0.12 -0.20 -0.25 0.00 0.02 0.00 0.00 54.13 53.81 3gxi s LEU 493 Cb -0.12 -0.41 0.05 0.00 0.02 0.00 0.00 46.19 45.74 3gxi s LEU 493 CO 0.02 0.07 0.55 -1.66 0.02 0.00 0.00 176.35 175.36 3gxi s TRP 494 N -0.33 -0.49 0.37 0.29 -2.14 -0.64 -1.18 118.94 114.82 3gxi s TRP 494 Ca 0.02 0.83 -0.26 0.00 2.66 0.00 0.00 56.10 59.35 3gxi s TRP 494 Cb -0.04 0.30 -0.09 0.00 -3.10 0.00 0.00 33.47 30.54 3gxi s TRP 494 CO -0.00 -0.54 1.14 -1.01 -2.66 0.00 0.00 176.95 173.88 3gxi s HIS 495 N -1.25 3.21 -1.67 1.66 3.76 -1.26 -0.85 115.29 118.89 3gxi s HIS 495 Ca -0.12 1.60 0.18 0.00 -0.15 0.00 0.00 55.06 56.57 3gxi s HIS 495 Cb -0.02 -3.33 -0.01 0.00 1.11 0.00 0.00 32.58 30.34 3gxi s HIS 495 CO 0.08 -1.04 0.93 0.54 -0.85 0.00 0.00 174.74 174.40 3gxi n ARG 496 N 0.29 1.52 0.00 1.40 1.74 -1.26 -4.61 116.66 115.75 3gxi n ARG 496 Ca 0.03 -0.88 0.00 0.00 -0.77 0.00 0.00 57.85 56.23 3gxi n ARG 496 Cb 0.47 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 3gxi n ARG 496 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11