#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 1.81 0.73 0.00 0.52 -1.12 -4.94 118.95 115.96 3gxi s ARG 2 Ca 0.00 -0.72 -0.11 0.00 -0.52 0.00 0.00 55.73 54.38 3gxi s ARG 2 Cb 0.00 -1.67 0.04 0.00 0.52 0.00 0.00 34.95 33.85 3gxi s ARG 2 CO 0.00 0.38 1.10 -1.25 0.02 0.00 0.00 175.30 175.55 3gxi s PRO 3 N -0.30 2.46 0.32 3.54 0.04 -1.26 -1.27 135.00 138.52 3gxi s PRO 3 Ca 0.03 0.21 -0.29 0.00 0.04 0.00 0.00 61.00 60.99 3gxi s PRO 3 Cb -0.10 -2.03 -0.11 0.00 0.04 0.00 0.00 34.50 32.30 3gxi s PRO 3 CO 0.01 -1.24 1.50 0.00 0.04 0.00 0.00 177.00 177.31 3gxi s ILE 5 N -0.48 5.02 0.36 0.00 1.01 -1.26 -4.99 121.20 120.86 3gxi s ILE 5 Ca 0.58 -0.84 -0.25 0.00 0.00 0.00 0.00 60.65 60.13 3gxi s ILE 5 Cb -0.45 -4.26 -0.09 0.00 0.01 0.00 0.00 42.46 37.66 3gxi s ILE 5 CO 0.52 -0.77 1.03 -2.16 0.00 0.00 0.00 174.94 173.56 3gxi s PRO 6 N 2.20 4.33 -0.07 2.79 0.04 -1.26 -0.77 135.00 142.27 3gxi s PRO 6 Ca 0.10 1.50 -0.05 0.00 0.04 0.00 0.00 61.00 62.59 3gxi s PRO 6 Cb -0.23 -2.69 0.03 0.00 0.04 0.00 0.00 34.50 31.66 3gxi s PRO 6 CO 0.09 0.01 0.18 0.21 0.04 0.00 0.00 177.00 177.52 3gxi s LYS 7 N -2.25 0.17 -0.00 4.56 2.20 -0.73 -4.90 119.74 118.78 3gxi s LYS 7 Ca 0.54 0.32 -0.04 0.00 -0.36 0.00 0.00 55.97 56.44 3gxi s LYS 7 Cb -0.22 -0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.04 3gxi s LYS 7 CO 0.28 -0.08 0.21 0.45 -0.36 0.00 0.00 175.35 175.85 3gxi s SER 8 N 0.58 6.40 -0.10 1.43 0.15 -1.26 -1.45 113.70 119.45 3gxi s SER 8 Ca -0.04 0.40 0.14 0.00 0.70 0.00 0.00 55.95 57.15 3gxi s SER 8 Cb -0.05 -2.02 0.21 0.00 -1.71 0.00 0.00 66.02 62.44 3gxi s SER 8 CO -0.03 0.25 1.10 0.49 1.20 0.00 0.00 173.24 176.25 3gxi n PHE 9 N 0.95 0.00 -0.39 3.44 3.01 -1.26 -4.98 117.46 118.23 3gxi n PHE 9 Ca -0.11 -0.80 0.00 0.00 1.01 0.00 0.00 57.45 57.55 3gxi n PHE 9 Cb 0.53 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 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 -1.13 0.79 0.73 1.37 0.00 -1.26 -4.95 105.19 100.74 3gxi n GLY 10 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.00 -3.46 0.28 1.61 4.02 -1.26 -4.99 117.16 111.37 3gxi n TYR 11 Ca 0.00 -0.31 0.16 0.00 -0.01 0.00 0.00 57.90 57.74 3gxi n TYR 11 Cb 0.00 -0.15 0.79 0.00 -0.02 0.00 0.00 39.34 39.96 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 -0.16 0.00 -2.30 7.72 4.64 -1.90 -3.46 113.55 118.08 3gxi h SER 12 Ca -0.07 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 3gxi h SER 12 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3gxi h SER 12 CO 0.07 0.07 -0.04 -0.24 -0.87 0.00 0.00 176.83 175.81 3gxi n SER 13 N -3.31 0.01 -4.80 4.97 2.88 0.12 -4.83 113.62 108.66 3gxi n SER 13 Ca -0.01 -1.21 -0.22 0.00 -1.33 0.00 0.00 58.87 56.10 3gxi n SER 13 Cb 0.25 0.15 -0.05 0.00 -0.75 0.00 0.00 64.21 63.81 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 -2.10 4.32 0.26 2.46 -7.23 -1.25 -4.54 120.40 112.32 3gxi s VAL 14 Ca 0.04 -1.45 0.05 0.00 -1.81 0.00 0.00 61.98 58.81 3gxi s VAL 14 Cb 0.00 -3.32 -0.03 0.00 0.56 0.00 0.00 36.38 33.59 3gxi s VAL 14 CO 0.03 -0.34 0.35 0.68 -0.31 0.00 0.00 175.10 175.51 3gxi s VAL 15 N -2.14 4.99 -0.20 1.32 -7.23 -0.53 -4.42 120.40 112.19 3gxi s VAL 15 Ca 0.33 -1.04 -0.08 0.00 -1.81 0.00 0.00 61.98 59.37 3gxi s VAL 15 Cb -0.08 -3.74 -0.04 0.00 0.56 0.00 0.00 36.38 33.08 3gxi s VAL 15 CO 0.24 -0.31 0.09 0.00 -0.31 0.00 0.00 175.10 174.82 3gxi s VAL 17 N 0.66 5.17 0.15 0.00 1.01 0.06 -0.67 120.40 126.77 3gxi s VAL 17 Ca 0.05 0.83 0.09 0.00 0.00 0.00 0.00 61.98 62.95 3gxi s VAL 17 Cb -0.13 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 3gxi s VAL 17 CO 0.01 0.24 -0.20 0.00 0.00 0.00 0.00 175.10 175.16 3gxi n ASN 19 N 0.56 0.00 0.27 0.00 0.23 -0.27 -0.74 115.26 115.31 3gxi n ASN 19 Ca -0.15 -0.16 0.16 0.00 -0.53 0.00 0.00 54.58 53.89 3gxi n ASN 19 Cb 0.56 0.00 0.73 0.00 -2.08 0.00 0.00 39.78 38.99 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 1.46 1.07 0.00 -2.53 0.00 -1.90 -3.16 119.26 114.19 3gxi h ALA 20 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3gxi h ALA 20 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3gxi h ALA 20 CO 0.00 0.09 0.00 0.25 0.00 0.00 0.00 179.25 179.59 3gxi n THR 21 N -3.27 0.00 -3.77 0.00 -2.24 -1.26 -4.19 114.28 99.55 3gxi n THR 21 Ca -0.01 -0.50 -0.15 0.00 -2.27 0.00 0.00 64.05 61.13 3gxi n THR 21 Cb 0.28 1.00 -0.16 0.00 -2.10 0.00 0.00 70.33 69.35 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 -0.82 -0.01 -0.13 4.78 5.04 -1.19 -5.13 117.35 119.89 3gxi s TYR 22 Ca 0.00 0.18 -0.21 0.00 -2.44 0.00 0.00 57.07 54.60 3gxi s TYR 22 Cb 0.00 -0.19 0.05 0.00 0.35 0.00 0.00 41.96 42.17 3gxi s TYR 22 CO 0.00 -0.10 0.53 0.00 -1.34 0.00 0.00 175.55 174.64 3gxi s ASP 24 N -0.41 5.88 0.21 0.00 -4.77 -1.26 -4.68 116.67 111.63 3gxi s ASP 24 Ca -0.06 2.37 -0.23 0.00 -3.30 0.00 0.00 52.55 51.34 3gxi s ASP 24 Cb -0.03 -2.61 0.05 0.00 -1.09 0.00 0.00 42.92 39.24 3gxi s ASP 24 CO 0.04 -1.12 0.70 -0.94 0.70 0.00 0.00 175.17 174.55 3gxi s SER 25 N -1.36 -0.38 0.22 2.11 1.04 -0.40 -4.91 113.70 110.02 3gxi s SER 25 Ca 0.67 -0.32 0.06 0.00 0.48 0.00 0.00 55.95 56.85 3gxi s SER 25 Cb -0.30 0.64 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 3gxi s SER 25 CO 0.36 -1.12 0.17 -0.36 0.98 0.00 0.00 173.24 173.26 3gxi s PHE 26 N -3.75 3.11 0.86 5.02 0.40 -0.23 -2.77 117.98 120.61 3gxi s PHE 26 Ca 0.07 -0.08 -0.11 0.00 -0.60 0.00 0.00 56.93 56.20 3gxi s PHE 26 Cb -0.03 -1.43 0.11 0.00 0.51 0.00 0.00 43.02 42.17 3gxi s PHE 26 CO -0.02 0.52 1.09 -0.51 0.70 0.00 0.00 175.22 177.01 3gxi s ASP 27 N -3.56 3.80 0.43 1.36 1.01 -1.26 -4.48 116.67 113.97 3gxi s ASP 27 Ca 0.32 1.42 -0.24 0.00 0.71 0.00 0.00 52.55 54.76 3gxi s ASP 27 Cb -0.09 -2.12 -0.10 0.00 1.01 0.00 0.00 42.92 41.63 3gxi s ASP 27 CO 0.24 -2.42 1.14 -2.65 0.21 0.00 0.00 175.17 171.69 3gxi n PRO 28 N -3.74 1.59 -2.30 8.23 -0.02 -1.26 -4.78 135.00 132.73 3gxi n PRO 28 Ca 0.07 0.57 -0.41 0.00 -2.02 0.00 0.00 63.50 61.71 3gxi n PRO 28 Cb 0.56 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 3gxi n PRO 28 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3gxi s PRO 29 N -2.16 4.49 0.04 0.52 0.04 -1.26 -5.05 135.00 131.62 3gxi s PRO 29 Ca 0.63 2.00 0.01 0.00 0.04 0.00 0.00 61.00 63.68 3gxi s PRO 29 Cb -0.53 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 30.84 3gxi s PRO 29 CO 0.57 -0.02 -0.05 -0.08 0.04 0.00 0.00 177.00 177.45 3gxi s THR 30 N -0.90 0.35 0.28 1.26 -1.32 -1.26 -5.14 115.64 108.91 3gxi s THR 30 Ca 0.48 -1.21 -0.29 0.00 -1.21 0.00 0.00 61.69 59.46 3gxi s THR 30 Cb -0.36 -0.72 -0.10 0.00 -1.51 0.00 0.00 72.50 69.82 3gxi s THR 30 CO 0.45 -0.56 1.08 -0.36 -2.21 0.00 0.00 174.62 173.02 3gxi s PHE 31 N -2.00 3.63 0.27 9.09 0.08 -1.26 -5.00 117.98 122.79 3gxi s PHE 31 Ca -0.08 1.73 -0.29 0.00 0.12 0.00 0.00 56.93 58.41 3gxi s PHE 31 Cb -0.06 -3.25 -0.09 0.00 -0.57 0.00 0.00 43.02 39.05 3gxi s PHE 31 CO -0.02 -0.43 1.11 -1.25 -0.10 0.00 0.00 175.22 174.53 3gxi s PRO 32 N -1.42 4.62 0.44 0.24 0.04 -1.26 -4.97 135.00 132.69 3gxi s PRO 32 Ca 0.44 1.82 -0.24 0.00 0.04 0.00 0.00 61.00 63.06 3gxi s PRO 32 Cb -0.31 -3.19 -0.09 0.00 0.04 0.00 0.00 34.50 30.94 3gxi s PRO 32 CO 0.40 0.17 1.17 0.00 0.04 0.00 0.00 177.00 178.78 3gxi n ALA 33 N 1.33 0.86 -1.64 8.56 0.00 -1.26 -4.51 120.51 123.85 3gxi n ALA 33 Ca -0.01 0.23 -0.43 0.00 0.00 0.00 0.00 53.44 53.24 3gxi n ALA 33 Cb 0.45 -2.20 -0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 0.18 2.79 0.00 0.00 7.94 -1.26 -0.94 117.00 125.71 3gxi n LEU 34 Ca 0.08 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.14 3gxi n LEU 34 Cb 0.40 -1.39 0.00 0.00 0.53 0.00 0.00 43.42 42.96 3gxi n LEU 34 CO 0.57 -1.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.46 3gxi n GLY 35 N 1.00 0.94 3.26 -3.96 0.00 -1.26 -5.03 105.19 100.15 3gxi n GLY 35 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 3gxi n GLY 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gxi s THR 36 N -3.73 1.27 0.13 2.61 -4.23 -0.12 -0.79 115.64 110.79 3gxi s THR 36 Ca 0.00 -2.06 0.10 0.00 -1.18 0.00 0.00 61.69 58.55 3gxi s THR 36 Cb 0.00 -1.85 -0.04 0.00 1.34 0.00 0.00 72.50 71.95 3gxi s THR 36 CO 0.00 -0.70 -0.23 0.72 -0.54 0.00 0.00 174.62 173.87 3gxi s PHE 37 N -3.18 2.06 -0.03 3.99 -0.12 -0.48 -4.50 117.98 115.73 3gxi s PHE 37 Ca 0.17 -0.40 -0.05 0.00 -0.05 0.00 0.00 56.93 56.60 3gxi s PHE 37 Cb 0.01 -1.10 -0.04 0.00 -0.63 0.00 0.00 43.02 41.26 3gxi s PHE 37 CO 0.02 0.31 0.20 -1.12 -0.05 0.00 0.00 175.22 174.57 3gxi s SER 38 N -2.13 6.41 -0.04 1.98 0.01 0.28 -1.97 113.70 118.25 3gxi s SER 38 Ca 0.12 0.44 0.02 0.00 1.31 0.00 0.00 55.95 57.84 3gxi s SER 38 Cb -0.09 -2.05 0.01 0.00 0.21 0.00 0.00 66.02 64.10 3gxi s SER 38 CO 0.06 0.30 -0.09 -0.60 0.41 0.00 0.00 173.24 173.32 3gxi s ARG 39 N -1.65 1.09 -0.12 12.44 3.52 0.32 -1.34 118.95 133.21 3gxi s ARG 39 Ca 0.24 -0.28 -0.00 0.00 -0.13 0.00 0.00 55.73 55.56 3gxi s ARG 39 Cb -0.13 -0.99 -0.02 0.00 -1.56 0.00 0.00 34.95 32.25 3gxi s ARG 39 CO 0.14 0.05 -0.11 0.71 -0.81 0.00 0.00 175.30 175.28 3gxi s TYR 40 N 0.46 2.84 -0.05 5.12 1.51 0.00 -0.70 117.35 126.54 3gxi s TYR 40 Ca -0.08 -0.47 0.03 0.00 -1.01 0.00 0.00 57.07 55.55 3gxi s TYR 40 Cb -0.12 -1.82 0.00 0.00 -0.11 0.00 0.00 41.96 39.91 3gxi s TYR 40 CO 0.01 -0.09 -0.13 -2.00 -1.11 0.00 0.00 175.55 172.23 3gxi s GLU 41 N 0.12 1.55 -0.00 -0.62 2.12 -0.32 -1.16 118.70 120.38 3gxi s GLU 41 Ca -0.05 -0.46 0.07 0.00 0.36 0.00 0.00 54.97 54.89 3gxi s GLU 41 Cb -0.15 -1.34 -0.02 0.00 0.26 0.00 0.00 34.13 32.89 3gxi s GLU 41 CO 0.04 0.13 -0.21 -1.12 -0.54 0.00 0.00 175.26 173.56 3gxi s SER 42 N 0.31 2.50 0.06 -1.70 0.01 -0.17 -1.58 113.70 113.13 3gxi s SER 42 Ca -0.08 -0.42 0.01 0.00 1.31 0.00 0.00 55.95 56.77 3gxi s SER 42 Cb -0.12 -0.26 -0.03 0.00 0.21 0.00 0.00 66.02 65.81 3gxi s SER 42 CO 0.02 0.24 -0.05 0.42 0.41 0.00 0.00 173.24 174.28 3gxi s THR 43 N -0.56 0.42 0.43 1.44 -4.23 -0.47 -1.48 115.64 111.19 3gxi s THR 43 Ca 0.08 -1.57 0.10 0.00 -1.18 0.00 0.00 61.69 59.11 3gxi s THR 43 Cb -0.08 -1.21 0.24 0.00 1.34 0.00 0.00 72.50 72.79 3gxi s THR 43 CO -0.00 -0.76 2.05 -0.09 -0.54 0.00 0.00 174.62 175.27 3gxi h ARG 44 N 3.57 0.35 0.00 3.99 2.43 -1.73 -1.14 114.38 121.85 3gxi h ARG 44 Ca -0.34 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 3gxi h ARG 44 Cb 1.17 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3gxi h ARG 44 CO 0.57 0.28 0.00 0.66 -1.51 0.00 0.00 179.97 179.96 3gxi h SER 45 N 0.35 0.00 0.00 -3.80 4.64 -1.89 -3.42 113.55 109.43 3gxi h SER 45 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3gxi h SER 45 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3gxi h SER 45 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 3gxi n GLY 46 N -0.56 0.53 3.77 -0.77 0.00 -0.43 -5.02 105.19 102.71 3gxi n GLY 46 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 4.19 -0.31 1.61 0.52 -1.22 -4.85 118.95 118.88 3gxi s ARG 47 Ca 0.00 1.99 -0.01 0.00 -0.52 0.00 0.00 55.73 57.19 3gxi s ARG 47 Cb 0.00 -2.86 0.10 0.00 0.52 0.00 0.00 34.95 32.72 3gxi s ARG 47 CO 0.00 -0.25 0.11 1.03 0.02 0.00 0.00 175.30 176.20 3gxi s ARG 48 N -2.05 0.67 -1.42 3.54 1.81 -1.25 -1.36 118.95 118.89 3gxi s ARG 48 Ca 0.53 -1.05 -0.05 0.00 -1.72 0.00 0.00 55.73 53.44 3gxi s ARG 48 Cb -0.35 -1.91 0.00 0.00 -0.45 0.00 0.00 34.95 32.25 3gxi s ARG 48 CO 0.44 -1.00 0.32 -1.33 -0.68 0.00 0.00 175.30 173.06 3gxi n MET 49 N 4.84 -1.96 -2.91 3.54 2.81 -0.66 -4.89 117.12 117.88 3gxi n MET 49 Ca -0.02 0.26 -0.40 0.00 -1.81 0.00 0.00 57.70 55.73 3gxi n MET 49 Cb 0.42 -3.95 -0.04 0.00 -0.71 0.00 0.00 33.22 28.94 3gxi n MET 49 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3gxi s GLU 50 N -6.90 4.52 -0.08 0.03 2.12 -0.62 -4.65 118.70 113.13 3gxi s GLU 50 Ca 0.09 1.14 -0.17 0.00 0.36 0.00 0.00 54.97 56.39 3gxi s GLU 50 Cb -0.04 -3.41 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 3gxi s GLU 50 CO 0.94 0.15 0.44 -1.17 -0.54 0.00 0.00 175.26 175.08 3gxi s LEU 51 N 0.39 4.35 0.29 2.70 2.96 -1.26 -1.17 118.68 126.93 3gxi s LEU 51 Ca 0.42 0.85 0.05 0.00 -0.22 0.00 0.00 54.13 55.23 3gxi s LEU 51 Cb -0.20 -2.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.81 3gxi s LEU 51 CO 0.24 0.12 0.23 -0.94 -1.32 0.00 0.00 176.35 174.68 3gxi s SER 52 N -0.00 1.21 0.00 3.68 1.04 0.12 -5.00 113.70 114.75 3gxi s SER 52 Ca 0.24 -1.64 -0.03 0.00 0.48 0.00 0.00 55.95 55.01 3gxi s SER 52 Cb -0.16 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 3gxi s SER 52 CO 0.11 -0.98 0.05 -0.32 0.98 0.00 0.00 173.24 173.07 3gxi s MET 53 N -3.69 0.28 0.32 4.02 1.75 -1.26 -0.52 119.30 120.20 3gxi s MET 53 Ca 0.40 -0.32 0.04 0.00 -1.25 0.00 0.00 55.69 54.56 3gxi s MET 53 Cb 0.04 0.11 -0.02 0.00 2.84 0.00 0.00 34.83 37.80 3gxi s MET 53 CO 0.22 -0.05 0.32 0.20 -0.65 0.00 0.00 175.02 175.06 3gxi s GLY 54 N -0.93 2.00 0.28 2.11 0.00 -0.83 -5.00 107.32 104.95 3gxi s GLY 54 Ca -0.10 -1.87 -0.23 0.00 0.00 0.00 0.00 44.72 42.52 3gxi s GLY 54 CO 0.00 -1.32 0.84 2.56 0.00 0.00 0.00 173.10 175.18 3gxi s PRO 55 N -3.41 4.40 -0.30 2.90 0.04 -1.26 -1.38 135.00 135.99 3gxi s PRO 55 Ca 0.38 1.09 -0.19 0.00 0.04 0.00 0.00 61.00 62.32 3gxi s PRO 55 Cb 0.02 -2.79 -0.01 0.00 0.04 0.00 0.00 34.50 31.75 3gxi s PRO 55 CO 0.24 0.31 0.57 0.42 0.04 0.00 0.00 177.00 178.58 3gxi s ILE 56 N -1.61 5.00 0.20 0.56 1.01 0.03 -4.57 121.20 121.82 3gxi s ILE 56 Ca 0.48 0.78 -0.01 0.00 0.00 0.00 0.00 60.65 61.90 3gxi s ILE 56 Cb -0.17 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 3gxi s ILE 56 CO 0.22 -0.07 0.39 -1.10 0.00 0.00 0.00 174.94 174.37 3gxi s GLN 57 N 2.46 3.52 0.12 2.79 -0.21 -0.28 -4.80 119.66 123.26 3gxi s GLN 57 Ca 0.23 -0.35 0.07 0.00 0.02 0.00 0.00 55.36 55.32 3gxi s GLN 57 Cb -0.15 -2.84 -0.20 0.00 1.00 0.00 0.00 33.01 30.81 3gxi s GLN 57 CO 0.11 0.41 1.29 0.00 -2.12 0.00 0.00 175.29 174.97 3gxi h ALA 58 N 2.01 0.36 -3.44 6.09 0.00 -1.87 0.19 119.26 122.60 3gxi h ALA 58 Ca -0.48 -0.90 -0.17 0.00 0.00 0.00 0.00 54.91 53.37 3gxi h ALA 58 Cb 1.19 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 3gxi h ALA 58 CO 0.68 1.23 -0.09 -1.71 0.00 0.00 0.00 179.25 179.37 3gxi n ASN 59 N -3.35 -0.80 -3.65 0.00 5.15 -1.26 -4.75 115.26 106.58 3gxi n ASN 59 Ca 0.00 -2.12 -0.14 0.00 -0.60 0.00 0.00 54.58 51.72 3gxi n ASN 59 Cb 0.93 1.50 -0.08 0.00 -0.53 0.00 0.00 39.78 41.61 3gxi n ASN 59 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3gxi s HIS 60 N -3.78 -0.64 0.03 1.20 5.65 -1.26 -4.86 115.29 111.63 3gxi s HIS 60 Ca 0.17 1.50 -0.04 0.00 0.25 0.00 0.00 55.06 56.95 3gxi s HIS 60 Cb -0.01 0.24 -0.01 0.00 -1.18 0.00 0.00 32.58 31.62 3gxi s HIS 60 CO 0.12 -0.36 -0.07 0.25 -0.65 0.00 0.00 174.74 174.04 3gxi n THR 61 N 2.46 1.10 0.45 0.89 -2.24 -1.26 -5.01 114.28 110.68 3gxi n THR 61 Ca -0.15 0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 3gxi n THR 61 Cb 0.56 -1.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.12 3gxi n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gxi n GLY 62 N 3.02 1.57 2.37 3.38 0.00 -1.26 -4.82 105.19 109.45 3gxi n GLY 62 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 3gxi n GLY 62 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gxi n THR 63 N 0.89 -0.57 -1.61 2.61 -1.04 -1.26 -5.01 114.28 108.29 3gxi n THR 63 Ca 0.00 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.84 3gxi n THR 63 Cb 0.36 -1.98 0.12 0.00 -1.82 0.00 0.00 70.33 67.01 3gxi n THR 63 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gxi n GLY 64 N -0.75 -1.21 3.71 3.41 0.00 -1.26 -4.98 105.19 104.11 3gxi n GLY 64 Ca -0.17 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 3gxi n GLY 64 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gxi s LEU 65 N 0.00 4.38 -0.13 0.99 2.96 -1.26 -4.91 118.68 120.71 3gxi s LEU 65 Ca 0.45 2.84 0.03 0.00 -0.22 0.00 0.00 54.13 57.22 3gxi s LEU 65 Cb -0.01 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 43.09 3gxi s LEU 65 CO 0.31 -0.98 -0.22 -0.22 -1.32 0.00 0.00 176.35 173.93 3gxi s LEU 66 N 1.56 2.16 -0.31 -0.68 2.96 -1.26 -1.15 118.68 121.96 3gxi s LEU 66 Ca 0.76 -0.57 -0.10 0.00 -0.22 0.00 0.00 54.13 54.01 3gxi s LEU 66 Cb -0.49 -1.45 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 3gxi s LEU 66 CO 0.33 0.11 0.16 -0.76 -1.32 0.00 0.00 176.35 174.86 3gxi s LEU 67 N 0.67 4.11 -0.24 -0.68 1.43 0.68 -0.73 118.68 123.91 3gxi s LEU 67 Ca -0.10 -0.49 -0.10 0.00 -1.03 0.00 0.00 54.13 52.41 3gxi s LEU 67 Cb -0.16 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 3gxi s LEU 67 CO 0.01 -0.19 0.14 -0.89 0.23 0.00 0.00 176.35 175.65 3gxi s THR 68 N 1.62 5.07 0.26 5.49 2.01 -0.05 -0.47 115.64 129.58 3gxi s THR 68 Ca 0.05 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 3gxi s THR 68 Cb -0.17 -3.37 -0.10 0.00 0.01 0.00 0.00 72.50 68.87 3gxi s THR 68 CO 0.06 0.34 1.49 -0.22 -0.69 0.00 0.00 174.62 175.60 3gxi s LEU 69 N 1.25 4.37 -0.73 4.42 2.96 0.05 -1.53 118.68 129.46 3gxi s LEU 69 Ca 0.06 2.76 0.04 0.00 -0.22 0.00 0.00 54.13 56.78 3gxi s LEU 69 Cb -0.14 -3.63 0.20 0.00 0.50 0.00 0.00 46.19 43.12 3gxi s LEU 69 CO 0.05 -0.78 0.61 0.00 -1.32 0.00 0.00 176.35 174.92 3gxi n GLN 70 N 2.29 2.16 0.27 1.98 6.02 -0.12 -4.70 117.38 125.27 3gxi n GLN 70 Ca 0.07 -4.54 0.18 0.00 -0.01 0.00 0.00 57.00 52.71 3gxi n GLN 70 Cb 0.39 -2.31 0.89 0.00 1.02 0.00 0.00 30.24 30.24 3gxi n GLN 70 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3gxi h PRO 71 N 5.21 0.00 -0.25 -1.09 0.13 -1.93 -0.24 132.00 133.83 3gxi h PRO 71 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3gxi h PRO 71 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3gxi h PRO 71 CO 0.78 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.94 3gxi n GLU 72 N -2.83 2.22 -3.33 0.86 -0.58 -1.26 -4.61 120.64 111.11 3gxi n GLU 72 Ca -0.01 -1.83 -0.46 0.00 -0.42 0.00 0.00 57.16 54.44 3gxi n GLU 72 Cb 0.14 -1.47 -0.05 0.00 -0.57 0.00 0.00 31.44 29.49 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 -1.69 3.03 -0.15 3.49 -0.21 -0.11 -5.05 119.66 118.96 3gxi s GLN 73 Ca 0.35 -1.81 -0.05 0.00 0.02 0.00 0.00 55.36 53.87 3gxi s GLN 73 Cb 0.21 -4.29 -0.03 0.00 1.00 0.00 0.00 33.01 29.89 3gxi s GLN 73 CO 0.30 -1.32 0.02 0.15 -2.12 0.00 0.00 175.29 172.32 3gxi s LYS 74 N 1.40 3.68 0.00 2.91 -0.14 -1.26 -1.69 119.74 124.64 3gxi s LYS 74 Ca 0.05 -0.41 0.00 0.00 -1.36 0.00 0.00 55.97 54.25 3gxi s LYS 74 Cb -0.27 -3.03 0.00 0.00 -1.68 0.00 0.00 37.83 32.85 3gxi s LYS 74 CO 0.01 0.35 0.00 1.19 -0.76 0.00 0.00 175.35 176.14 3gxi n PHE 75 N 3.24 0.00 -1.96 3.18 3.01 0.27 -5.01 117.46 120.20 3gxi n PHE 75 Ca -0.17 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 57.95 3gxi n PHE 75 Cb 0.53 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.03 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 4.49 3.00 -0.04 -1.08 0.00 -1.26 -4.63 119.66 120.15 3gxi s GLN 76 Ca 0.00 1.51 -0.11 0.00 -0.00 0.00 0.00 55.36 56.76 3gxi s GLN 76 Cb 0.00 -1.97 -0.05 0.00 0.00 0.00 0.00 33.01 30.99 3gxi s GLN 76 CO 0.00 -1.11 0.30 0.15 0.00 0.00 0.00 175.29 174.63 3gxi s LYS 77 N -3.73 3.70 0.00 9.60 1.02 -1.26 -1.19 119.74 127.88 3gxi s LYS 77 Ca 0.70 0.15 -0.28 0.00 0.02 0.00 0.00 55.97 56.57 3gxi s LYS 77 Cb -0.23 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 3gxi s LYS 77 CO 0.35 0.71 0.88 0.08 -0.92 0.00 0.00 175.35 176.46 3gxi s VAL 78 N -1.10 4.84 -0.09 3.17 1.01 0.15 -4.73 120.40 123.66 3gxi s VAL 78 Ca 0.21 1.85 -0.20 0.00 0.00 0.00 0.00 61.98 63.85 3gxi s VAL 78 Cb -0.14 -4.22 -0.28 0.00 0.00 0.00 0.00 36.38 31.73 3gxi s VAL 78 CO 0.10 0.23 0.71 0.50 0.00 0.00 0.00 175.10 176.64 3gxi h LYS 79 N 6.47 0.23 0.00 2.72 1.63 0.62 -1.16 116.57 127.08 3gxi h LYS 79 Ca -0.42 -0.40 0.00 0.00 -0.85 0.00 0.00 60.65 58.99 3gxi h LYS 79 Cb 1.21 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.99 3gxi h LYS 79 CO 0.74 1.19 0.00 0.41 -3.45 0.00 0.00 179.45 178.34 3gxi n GLY 80 N 1.68 -1.06 2.97 5.01 0.00 -1.15 -4.46 105.19 108.17 3gxi n GLY 80 Ca -0.19 -1.43 -0.12 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.50 0.34 0.00 1.61 0.40 -1.26 -2.13 117.98 114.45 3gxi s PHE 81 Ca 0.00 -0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.04 3gxi s PHE 81 Cb 0.00 -0.22 0.00 0.00 0.51 0.00 0.00 43.02 43.31 3gxi s PHE 81 CO 0.00 -0.07 0.00 0.41 0.70 0.00 0.00 175.22 176.26 3gxi n GLY 82 N 2.24 1.11 1.47 4.36 0.00 -1.05 -0.85 105.19 112.47 3gxi n GLY 82 Ca -0.18 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 3gxi n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gxi n GLY 83 N 0.00 1.58 3.61 -0.02 0.00 -1.05 -0.42 105.19 108.90 3gxi n GLY 83 Ca 0.00 -1.10 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 3gxi n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxi s ALA 84 N -1.42 3.49 -1.33 4.61 0.00 0.19 -0.94 121.76 126.36 3gxi s ALA 84 Ca 0.06 -0.92 -0.15 0.00 0.00 0.00 0.00 51.96 50.95 3gxi s ALA 84 Cb -0.02 -2.22 0.10 0.00 0.00 0.00 0.00 23.12 20.98 3gxi s ALA 84 CO 0.05 -0.21 1.86 -0.12 0.00 0.00 0.00 175.76 177.34 3gxi n MET 85 N 4.33 3.19 -1.84 0.00 1.56 0.40 -1.84 117.12 122.93 3gxi n MET 85 Ca -0.15 -3.22 -0.29 0.00 -0.27 0.00 0.00 57.70 53.77 3gxi n MET 85 Cb 0.52 -3.26 0.10 0.00 2.15 0.00 0.00 33.22 32.73 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 2.80 2.00 0.20 1.12 -4.23 -1.26 -4.40 115.64 111.87 3gxi s THR 86 Ca 0.47 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.88 3gxi s THR 86 Cb 0.07 -2.96 0.13 0.00 1.34 0.00 0.00 72.50 71.09 3gxi s THR 86 CO 0.00 0.00 1.81 0.44 -0.54 0.00 0.00 174.62 176.33 3gxi h ASP 87 N -1.16 0.93 -0.28 3.99 3.32 -1.92 -0.32 116.42 120.97 3gxi h ASP 87 Ca -0.47 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.47 3gxi h ASP 87 Cb 1.33 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 3gxi h ASP 87 CO 0.64 0.77 0.19 0.00 -1.72 0.00 0.00 179.24 179.12 3gxi h ALA 88 N 1.19 0.36 -0.05 3.45 0.00 -1.48 -0.19 119.26 122.54 3gxi h ALA 88 Ca 0.25 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3gxi h ALA 88 Cb 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3gxi h ALA 88 CO -0.04 -0.17 -0.07 0.00 0.00 0.00 0.00 179.25 178.97 3gxi h ALA 89 N 1.10 -0.03 -0.48 0.00 0.00 -1.51 -2.09 119.26 116.25 3gxi h ALA 89 Ca 0.10 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3gxi h ALA 89 Cb -0.04 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3gxi h ALA 89 CO -0.02 -0.55 0.07 0.00 0.00 0.00 0.00 179.25 178.75 3gxi h ALA 90 N 0.94 0.64 -0.52 0.00 0.00 -0.88 -2.06 119.26 117.38 3gxi h ALA 90 Ca 0.05 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3gxi h ALA 90 Cb 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3gxi h ALA 90 CO -0.11 0.37 0.31 1.25 0.00 0.00 0.00 179.25 181.07 3gxi h LEU 91 N 0.67 0.62 -0.22 0.00 5.85 -0.98 -0.83 115.31 120.43 3gxi h LEU 91 Ca 0.14 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.83 3gxi h LEU 91 Cb 0.40 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3gxi h LEU 91 CO 0.01 0.51 0.05 0.78 -0.34 0.00 0.00 178.44 179.44 3gxi h ASN 92 N 0.69 0.02 -0.13 1.25 2.35 -1.24 -2.51 115.58 116.00 3gxi h ASN 92 Ca 0.18 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3gxi h ASN 92 Cb 0.00 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3gxi h ASN 92 CO -0.03 0.04 0.08 0.40 -1.65 0.00 0.00 177.43 176.26 3gxi h ILE 93 N 0.14 1.08 0.00 2.81 2.04 -1.25 -2.86 117.51 119.47 3gxi h ILE 93 Ca 0.10 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3gxi h ILE 93 Cb 0.09 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3gxi h ILE 93 CO -0.13 0.08 0.00 0.18 0.00 0.00 0.00 178.15 178.28 3gxi n LEU 94 N -4.95 0.13 0.07 1.44 4.77 -0.33 -2.06 117.00 116.07 3gxi n LEU 94 Ca -0.05 0.53 0.13 0.00 -0.03 0.00 0.00 56.01 56.59 3gxi n LEU 94 Cb 0.06 -0.51 0.33 0.00 -2.33 0.00 0.00 43.42 40.98 3gxi n LEU 94 CO 0.34 -0.27 0.67 0.00 -1.33 0.00 0.00 177.39 176.80 3gxi n ALA 95 N -1.55 2.60 -1.64 -1.18 0.00 -0.95 -4.81 120.51 112.97 3gxi n ALA 95 Ca 0.04 -0.13 -0.31 0.00 0.00 0.00 0.00 53.44 53.04 3gxi n ALA 95 Cb 0.20 -1.34 0.05 0.00 0.00 0.00 0.00 19.45 18.37 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 -4.16 3.03 0.65 0.00 1.43 -0.87 -4.94 118.68 113.82 3gxi s LEU 96 Ca 0.09 1.49 -0.14 0.00 -1.03 0.00 0.00 54.13 54.54 3gxi s LEU 96 Cb 0.14 -4.34 -0.00 0.00 0.03 0.00 0.00 46.19 42.01 3gxi s LEU 96 CO 0.64 -1.44 1.09 -0.94 0.23 0.00 0.00 176.35 175.93 3gxi s SER 97 N -3.92 5.27 0.23 2.29 1.04 -1.26 -4.70 113.70 112.65 3gxi s SER 97 Ca 0.58 1.89 -0.09 0.00 0.48 0.00 0.00 55.95 58.80 3gxi s SER 97 Cb -0.13 -2.54 0.35 0.00 0.10 0.00 0.00 66.02 63.80 3gxi s SER 97 CO 0.54 -1.51 1.65 -0.65 0.98 0.00 0.00 173.24 174.25 3gxi h PRO 98 N -0.04 0.11 -0.72 4.02 0.11 -1.95 -0.35 132.00 133.18 3gxi h PRO 98 Ca -0.46 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3gxi h PRO 98 Cb 1.23 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3gxi h PRO 98 CO 0.55 0.07 0.38 -1.35 -0.21 0.00 0.00 178.00 177.44 3gxi h PRO 99 N 0.11 1.01 -0.53 1.05 0.11 -1.93 -1.92 132.00 129.91 3gxi h PRO 99 Ca 0.36 -0.12 -0.10 0.00 0.11 0.00 0.00 66.00 66.25 3gxi h PRO 99 Cb 0.60 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 3gxi h PRO 99 CO -0.58 0.75 -0.07 0.00 -0.21 0.00 0.00 178.00 177.89 3gxi h ALA 100 N 1.40 0.72 -0.62 -0.75 0.00 -1.42 -2.06 119.26 116.53 3gxi h ALA 100 Ca 0.25 -0.33 0.09 0.00 0.00 0.00 0.00 54.91 54.93 3gxi h ALA 100 Cb 0.05 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.58 3gxi h ALA 100 CO -0.04 0.60 0.24 1.96 0.00 0.00 0.00 179.25 182.01 3gxi h GLN 101 N 0.85 0.42 -0.55 0.00 4.20 -0.77 -0.79 115.11 118.46 3gxi h GLN 101 Ca 0.14 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 3gxi h GLN 101 Cb 0.62 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 3gxi h GLN 101 CO 0.04 0.28 0.13 -0.91 -0.67 0.00 0.00 178.83 177.69 3gxi h ASN 102 N 0.43 0.85 -0.27 1.46 2.35 -1.11 -0.99 115.58 118.30 3gxi h ASN 102 Ca 0.31 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3gxi h ASN 102 Cb 0.38 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3gxi h ASN 102 CO -0.30 0.87 0.14 -0.07 -1.65 0.00 0.00 177.43 176.42 3gxi h LEU 103 N 0.79 0.38 -0.09 1.61 3.38 -1.09 0.11 115.31 120.40 3gxi h LEU 103 Ca 0.17 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 3gxi h LEU 103 Cb 0.36 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3gxi h LEU 103 CO 0.00 0.34 -0.17 0.25 0.09 0.00 0.00 178.44 178.95 3gxi h LEU 104 N 0.43 0.32 -1.00 1.67 6.46 -0.64 -1.34 115.31 121.21 3gxi h LEU 104 Ca 0.11 -0.55 -0.09 0.00 -0.12 0.00 0.00 57.88 57.22 3gxi h LEU 104 Cb 0.06 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 3gxi h LEU 104 CO -0.01 0.81 -0.30 -0.07 -0.62 0.00 0.00 178.44 178.24 3gxi h LEU 105 N -0.16 0.35 -1.02 2.25 3.38 -0.97 -2.21 115.31 116.93 3gxi h LEU 105 Ca 0.00 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3gxi h LEU 105 Cb 0.75 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 3gxi h LEU 105 CO 0.04 0.65 0.23 0.11 0.09 0.00 0.00 178.44 179.56 3gxi h LYS 106 N 0.30 0.93 -0.74 1.13 1.57 -0.78 -0.71 116.57 118.28 3gxi h LYS 106 Ca 0.04 -0.16 0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3gxi h LYS 106 Cb 0.69 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.79 3gxi h LYS 106 CO 0.05 0.78 0.43 0.77 -0.57 0.00 0.00 179.45 180.92 3gxi h SER 107 N 0.91 0.66 0.18 0.86 0.02 -0.59 -2.08 113.55 113.51 3gxi h SER 107 Ca 0.21 0.03 -0.31 0.00 -0.84 0.00 0.00 61.79 60.87 3gxi h SER 107 Cb 0.21 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.66 3gxi h SER 107 CO -0.02 0.42 -1.51 1.88 -1.14 0.00 0.00 176.83 176.46 3gxi h TYR 108 N 0.79 0.70 0.00 3.45 0.99 -1.49 0.69 116.97 122.09 3gxi h TYR 108 Ca 0.33 -0.51 0.00 0.00 2.00 0.00 0.00 58.73 60.55 3gxi h TYR 108 Cb 0.19 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 37.89 3gxi h TYR 108 CO -0.06 1.59 -1.10 1.19 -0.00 0.00 0.00 178.16 179.78 3gxi n PHE 109 N -3.76 0.00 -2.86 4.88 3.01 -0.28 -0.65 117.46 117.81 3gxi n PHE 109 Ca -0.22 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 57.99 3gxi n PHE 109 Cb 1.01 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 40.34 3gxi n PHE 109 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3gxi s SER 110 N -2.82 6.09 0.55 4.37 0.15 -0.79 -3.52 113.70 117.72 3gxi s SER 110 Ca -0.00 0.65 0.32 0.00 0.70 0.00 0.00 55.95 57.62 3gxi s SER 110 Cb 0.08 -1.98 1.55 0.00 -1.71 0.00 0.00 66.02 63.97 3gxi s SER 110 CO 0.50 -0.60 2.08 -0.33 1.20 0.00 0.00 173.24 176.10 3gxi h GLU 111 N 0.34 0.00 -0.02 5.44 4.39 -1.86 -0.85 114.58 122.01 3gxi h GLU 111 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 3gxi h GLU 111 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 3gxi h GLU 111 CO 0.61 0.08 0.00 0.39 -1.16 0.00 0.00 179.01 178.93 3gxi n GLU 112 N -3.38 1.25 0.00 2.33 4.71 -1.26 -4.64 120.64 119.64 3gxi n GLU 112 Ca -0.01 -0.37 0.00 0.00 -0.01 0.00 0.00 57.16 56.77 3gxi n GLU 112 Cb 0.24 -1.45 0.00 0.00 -1.01 0.00 0.00 31.44 29.22 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 1.03 5.23 1.21 0.62 0.00 -0.35 -1.07 105.19 111.86 3gxi n GLY 113 Ca 0.20 -1.57 0.08 0.00 0.00 0.00 0.00 46.02 44.74 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 1.80 -2.42 -0.61 -5.35 0.23 -4.86 119.36 108.14 3gxi n ILE 114 Ca 0.00 -1.33 -0.17 0.00 -0.27 0.00 0.00 62.75 60.97 3gxi n ILE 114 Cb 0.00 0.10 -0.00 0.00 -1.74 0.00 0.00 39.64 38.00 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 0.56 -0.33 3.63 3.28 0.00 -0.99 -2.57 105.19 108.77 3gxi n GLY 115 Ca 0.22 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -4.06 1.61 -1.07 1.61 0.53 0.18 -4.78 117.16 111.16 3gxi n TYR 116 Ca -0.19 0.63 0.01 0.00 -1.02 0.00 0.00 57.90 57.34 3gxi n TYR 116 Cb 0.65 -2.30 0.02 0.00 -1.03 0.00 0.00 39.34 36.67 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 0.95 0.69 -4.14 7.72 6.94 -0.03 -4.78 115.26 122.61 3gxi n ASN 117 Ca 0.08 -1.72 -0.26 0.00 -0.02 0.00 0.00 54.58 52.65 3gxi n ASN 117 Cb 0.35 -0.11 -0.16 0.00 -2.36 0.00 0.00 39.78 37.50 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 -0.56 1.45 -0.11 1.53 1.01 -0.87 -0.43 121.20 123.22 3gxi s ILE 118 Ca 0.04 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.96 3gxi s ILE 118 Cb 0.04 -1.24 0.02 0.00 0.01 0.00 0.00 42.46 41.29 3gxi s ILE 118 CO 0.00 0.42 -0.10 -0.63 0.00 0.00 0.00 174.94 174.63 3gxi s ILE 119 N -0.00 1.16 -0.04 2.92 1.01 -0.55 -2.53 121.20 123.17 3gxi s ILE 119 Ca -0.03 -0.40 -0.22 0.00 0.00 0.00 0.00 60.65 60.00 3gxi s ILE 119 Cb -0.11 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 3gxi s ILE 119 CO 0.02 0.39 0.66 -0.60 0.00 0.00 0.00 174.94 175.41 3gxi s ARG 120 N 1.45 4.40 -0.23 2.79 3.52 -0.12 -1.51 118.95 129.25 3gxi s ARG 120 Ca 0.01 0.83 0.02 0.00 -0.13 0.00 0.00 55.73 56.46 3gxi s ARG 120 Cb -0.13 -3.40 0.05 0.00 -1.56 0.00 0.00 34.95 29.90 3gxi s ARG 120 CO -0.06 0.19 -0.13 0.08 -0.81 0.00 0.00 175.30 174.56 3gxi s VAL 121 N 0.39 2.05 0.34 7.11 1.01 0.11 -0.45 120.40 130.95 3gxi s VAL 121 Ca 0.35 -1.35 -0.29 0.00 0.00 0.00 0.00 61.98 60.70 3gxi s VAL 121 Cb -0.18 -2.07 -0.11 0.00 0.00 0.00 0.00 36.38 34.02 3gxi s VAL 121 CO 0.18 0.15 1.45 -2.84 0.00 0.00 0.00 175.10 174.04 3gxi s PRO 122 N 1.20 4.20 -0.60 2.72 0.02 -1.26 -2.40 135.00 138.88 3gxi s PRO 122 Ca -0.04 2.44 -0.23 0.00 0.02 0.00 0.00 61.00 63.19 3gxi s PRO 122 Cb -0.18 -3.02 0.05 0.00 0.02 0.00 0.00 34.50 31.38 3gxi s PRO 122 CO -0.08 -0.44 0.95 -1.64 -0.33 0.00 0.00 177.00 175.46 3gxi s MET 123 N -1.58 3.24 4.08 5.54 -1.94 -0.10 -4.86 119.30 123.67 3gxi s MET 123 Ca 0.54 -0.49 0.00 0.00 -1.71 0.00 0.00 55.69 54.03 3gxi s MET 123 Cb -0.44 -4.12 0.00 0.00 2.01 0.00 0.00 34.83 32.27 3gxi s MET 123 CO 0.56 -1.62 0.00 0.00 -0.01 0.00 0.00 175.02 173.95 3gxi n ALA 124 N 7.58 0.00 -2.33 3.03 0.00 -1.26 -4.22 120.51 123.32 3gxi n ALA 124 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 3gxi n ALA 124 Cb 0.47 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 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 6.56 0.00 0.00 1.04 -1.17 -4.94 113.70 111.19 3gxi s SER 125 Ca 0.00 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.41 3gxi s SER 125 Cb 0.00 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.87 3gxi s SER 125 CO 0.00 -0.23 0.00 0.00 0.98 0.00 0.00 173.24 173.99 3gxi h ASP 127 N 0.00 0.00 -1.52 0.00 2.03 -1.97 -3.02 116.42 111.94 3gxi h ASP 127 Ca 0.00 0.00 -0.68 0.00 -0.73 0.00 0.00 57.03 55.62 3gxi h ASP 127 Cb 0.00 0.00 -0.20 0.00 -0.83 0.00 0.00 39.33 38.30 3gxi h ASP 127 CO 0.00 0.09 1.22 0.49 -1.03 0.00 0.00 179.24 180.00 3gxi n PHE 128 N -4.11 2.39 -4.22 4.15 3.01 -1.26 -2.03 117.46 115.38 3gxi n PHE 128 Ca -0.03 -2.38 -0.13 0.00 1.01 0.00 0.00 57.45 55.92 3gxi n PHE 128 Cb 0.17 -1.43 -0.10 0.00 -0.01 0.00 0.00 39.48 38.11 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 -0.27 1.39 0.00 4.37 0.01 -1.14 -1.25 113.70 116.80 3gxi s SER 129 Ca 0.52 -1.06 0.21 0.00 1.31 0.00 0.00 55.95 56.93 3gxi s SER 129 Cb 0.30 0.07 0.30 0.00 0.21 0.00 0.00 66.02 66.90 3gxi s SER 129 CO -0.21 -0.46 1.27 2.30 0.41 0.00 0.00 173.24 176.56 3gxi n ILE 130 N -0.16 0.31 -3.56 1.44 -5.35 -1.26 -2.04 119.36 108.73 3gxi n ILE 130 Ca -0.10 -0.65 -0.10 0.00 -0.27 0.00 0.00 62.75 61.63 3gxi n ILE 130 Cb 0.62 1.16 -0.02 0.00 -1.74 0.00 0.00 39.64 39.65 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 -1.54 1.36 -0.14 6.28 1.70 -1.26 -4.93 118.95 120.41 3gxi s ARG 131 Ca 0.31 -0.60 -0.08 0.00 -0.47 0.00 0.00 55.73 54.89 3gxi s ARG 131 Cb 0.19 0.56 -0.04 0.00 -0.57 0.00 0.00 34.95 35.09 3gxi s ARG 131 CO 0.28 -0.61 0.14 0.95 -1.08 0.00 0.00 175.30 174.99 3gxi s THR 132 N -3.70 5.47 0.05 4.99 -4.23 -1.26 -4.79 115.64 112.15 3gxi s THR 132 Ca 0.05 0.22 -0.27 0.00 -1.18 0.00 0.00 61.69 60.51 3gxi s THR 132 Cb -0.02 -3.43 0.08 0.00 1.34 0.00 0.00 72.50 70.47 3gxi s THR 132 CO -0.07 0.56 0.73 -0.72 -0.54 0.00 0.00 174.62 174.59 3gxi s TYR 133 N -0.58 -0.49 0.38 3.99 -0.85 -1.26 -5.07 117.35 113.48 3gxi s TYR 133 Ca 0.13 0.46 0.02 0.00 -0.52 0.00 0.00 57.07 57.17 3gxi s TYR 133 Cb -0.12 0.52 -0.01 0.00 0.38 0.00 0.00 41.96 42.73 3gxi s TYR 133 CO 0.02 -0.67 0.08 0.25 -1.52 0.00 0.00 175.55 173.71 3gxi n THR 134 N -0.01 0.00 1.09 -3.49 -2.24 -1.26 -3.07 114.28 105.30 3gxi n THR 134 Ca -0.14 -2.04 0.14 0.00 -2.27 0.00 0.00 64.05 59.74 3gxi n THR 134 Cb 0.62 0.61 0.63 0.00 -2.10 0.00 0.00 70.33 70.09 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 -0.89 0.00 -3.10 4.78 0.53 -1.26 -4.36 117.16 112.85 3gxi n TYR 135 Ca -0.10 0.00 -0.20 0.00 -1.02 0.00 0.00 57.90 56.58 3gxi n TYR 135 Cb 0.53 -0.44 -0.04 0.00 -1.03 0.00 0.00 39.34 38.36 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 -1.45 1.61 0.88 -0.72 0.00 -1.26 -1.05 120.51 118.52 3gxi n ALA 136 Ca 0.08 -3.00 0.13 0.00 0.00 0.00 0.00 53.44 50.66 3gxi n ALA 136 Cb 0.32 -0.93 0.55 0.00 0.00 0.00 0.00 19.45 19.39 3gxi n ALA 136 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gxi n ASP 137 N 1.25 0.12 -4.64 0.00 8.00 -1.26 -4.73 116.55 115.28 3gxi n ASP 137 Ca 0.19 0.51 -0.42 0.00 0.71 0.00 0.00 54.79 55.78 3gxi n ASP 137 Cb 0.57 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 3gxi n ASP 137 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3gxi s THR 138 N -3.02 3.45 0.27 -3.53 2.01 -1.26 -4.92 115.64 108.63 3gxi s THR 138 Ca 0.13 0.52 -0.30 0.00 0.31 0.00 0.00 61.69 62.35 3gxi s THR 138 Cb 0.17 -3.40 -0.13 0.00 0.01 0.00 0.00 72.50 69.15 3gxi s THR 138 CO 0.50 -0.12 1.41 -2.65 -0.69 0.00 0.00 174.62 173.08 3gxi n PRO 139 N 7.55 2.15 -2.46 4.92 -0.02 -1.26 -2.60 135.00 143.28 3gxi n PRO 139 Ca 0.20 0.76 -0.21 0.00 -2.02 0.00 0.00 63.50 62.23 3gxi n PRO 139 Cb 0.43 -2.42 -0.01 0.00 -0.02 0.00 0.00 33.50 31.48 3gxi n PRO 139 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3gxi n ASP 140 N 1.89 -5.83 -3.45 2.55 8.00 -1.26 -4.90 116.55 113.55 3gxi n ASP 140 Ca 0.10 -0.03 -0.38 0.00 0.71 0.00 0.00 54.79 55.19 3gxi n ASP 140 Cb 0.33 -4.84 -0.02 0.00 -0.02 0.00 0.00 41.12 36.57 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 -2.05 6.07 0.26 -2.24 2.03 -1.07 -4.77 116.55 114.79 3gxi n ASP 141 Ca -0.23 -2.63 0.08 0.00 0.52 0.00 0.00 54.79 52.54 3gxi n ASP 141 Cb 0.68 -1.48 0.64 0.00 -0.72 0.00 0.00 41.12 40.25 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 5.79 0.00 0.00 -0.67 -1.00 -1.91 0.19 116.94 119.34 3gxi h PHE 142 Ca 0.68 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.46 3gxi h PHE 142 Cb 0.41 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.97 3gxi h PHE 142 CO 1.71 0.02 0.00 1.04 -1.61 0.00 0.00 178.31 179.46 3gxi n GLN 143 N -4.47 0.14 -3.38 1.51 1.13 -1.26 -4.79 117.38 106.25 3gxi n GLN 143 Ca -0.03 0.06 -0.23 0.00 -1.94 0.00 0.00 57.00 54.87 3gxi n GLN 143 Cb 0.11 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.02 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 -1.42 -3.15 0.11 1.08 4.77 0.66 -4.89 117.00 114.18 3gxi n LEU 144 Ca 0.08 -0.45 -0.02 0.00 -0.03 0.00 0.00 56.01 55.60 3gxi n LEU 144 Cb 0.26 -2.96 0.22 0.00 -2.33 0.00 0.00 43.42 38.61 3gxi n LEU 144 CO 0.22 0.51 0.60 -0.74 -1.33 0.00 0.00 177.39 176.65 3gxi h HIS 145 N -2.23 0.19 -0.58 -1.77 2.76 -1.91 -2.79 115.15 108.82 3gxi h HIS 145 Ca -0.54 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 57.57 3gxi h HIS 145 Cb 1.36 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.28 3gxi h HIS 145 CO 0.50 0.61 0.00 0.09 -1.30 0.00 0.00 177.93 177.82 3gxi n ASN 146 N -3.97 4.71 -4.68 3.26 3.02 -1.26 -4.95 115.26 111.39 3gxi n ASN 146 Ca -0.02 -2.54 -0.47 0.00 -0.03 0.00 0.00 54.58 51.52 3gxi n ASN 146 Cb 0.51 -0.59 -0.04 0.00 -0.61 0.00 0.00 39.78 39.05 3gxi n ASN 146 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3gxi n PHE 147 N 0.90 2.33 -3.57 3.10 7.35 -1.05 -4.66 117.46 121.86 3gxi n PHE 147 Ca 0.24 0.07 -0.14 0.00 -0.76 0.00 0.00 57.45 56.87 3gxi n PHE 147 Cb 0.92 -2.63 -0.05 0.00 0.35 0.00 0.00 39.48 38.07 3gxi n PHE 147 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3gxi s SER 148 N 2.92 -0.43 -0.10 -2.13 1.04 -0.22 -5.01 113.70 109.76 3gxi s SER 148 Ca 0.87 0.14 -0.26 0.00 0.48 0.00 0.00 55.95 57.18 3gxi s SER 148 Cb -0.67 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 65.92 3gxi s SER 148 CO 0.46 -0.74 0.83 -0.76 0.98 0.00 0.00 173.24 174.01 3gxi s LEU 149 N -2.05 4.26 0.00 2.42 1.43 -1.26 -4.62 118.68 118.87 3gxi s LEU 149 Ca -0.05 1.29 -0.10 0.00 -1.03 0.00 0.00 54.13 54.24 3gxi s LEU 149 Cb -0.01 -3.27 0.16 0.00 0.03 0.00 0.00 46.19 43.10 3gxi s LEU 149 CO -0.03 -0.29 0.94 -0.81 0.23 0.00 0.00 176.35 176.40 3gxi n PRO 150 N 4.51 -0.77 0.09 1.29 -0.04 -1.26 -4.79 135.00 134.02 3gxi n PRO 150 Ca 0.03 -1.61 0.07 0.00 -0.04 0.00 0.00 63.50 61.94 3gxi n PRO 150 Cb 0.50 -0.92 0.52 0.00 -0.04 0.00 0.00 33.50 33.56 3gxi n PRO 150 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3gxi h GLU 151 N 0.00 0.32 -0.99 0.54 5.08 -1.97 -1.45 114.58 116.10 3gxi h GLU 151 Ca -0.30 -0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.23 3gxi h GLU 151 Cb 0.88 -0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.96 3gxi h GLU 151 CO 0.23 0.21 0.61 0.93 -1.00 0.00 0.00 179.01 180.00 3gxi h GLU 152 N 0.33 0.69 0.00 2.33 3.07 -1.96 0.20 114.58 119.23 3gxi h GLU 152 Ca 0.11 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.91 3gxi h GLU 152 Cb 0.04 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 27.80 3gxi h GLU 152 CO -0.02 0.45 -0.15 -0.44 -1.40 0.00 0.00 179.01 177.45 3gxi h ASP 153 N 0.71 0.00 1.54 1.42 3.32 -1.66 -1.37 116.42 120.37 3gxi h ASP 153 Ca 0.57 -0.70 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 3gxi h ASP 153 Cb 0.96 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 3gxi h ASP 153 CO -0.35 0.94 -0.19 0.71 -1.72 0.00 0.00 179.24 178.63 3gxi h THR 154 N -1.00 0.35 0.00 0.35 1.35 -1.02 0.43 112.91 113.37 3gxi h THR 154 Ca -0.04 -1.32 -0.04 0.00 -0.55 0.00 0.00 66.41 64.47 3gxi h THR 154 Cb 0.80 2.02 -0.01 0.00 -1.73 0.00 0.00 68.15 69.24 3gxi h THR 154 CO -0.02 0.18 -1.41 0.29 -0.25 0.00 0.00 175.52 174.31 3gxi n LYS 155 N -3.19 0.91 0.00 4.72 4.76 0.68 -4.49 118.16 121.54 3gxi n LYS 155 Ca 0.02 -0.06 -0.00 0.00 -2.87 0.00 0.00 58.31 55.41 3gxi n LYS 155 Cb 0.54 -1.19 -0.00 0.00 -1.84 0.00 0.00 35.03 32.54 3gxi n LYS 155 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3gxi n LEU 156 N -1.91 0.04 0.02 -0.35 4.77 -1.11 -4.72 117.00 113.74 3gxi n LEU 156 Ca -0.04 0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.83 3gxi n LEU 156 Cb 0.35 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 3gxi n LEU 156 CO 0.17 -0.50 0.87 0.11 -1.33 0.00 0.00 177.39 176.70 3gxi h LYS 157 N -0.01 0.06 0.02 3.23 1.57 -1.25 -2.77 116.57 117.43 3gxi h LYS 157 Ca 0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3gxi h LYS 157 Cb 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3gxi h LYS 157 CO 0.00 0.08 -0.01 0.82 -0.57 0.00 0.00 179.45 179.77 3gxi h ILE 158 N 0.02 1.24 -0.86 1.86 2.04 -1.15 -1.04 117.51 119.62 3gxi h ILE 158 Ca 0.02 -0.82 0.11 0.00 1.00 0.00 0.00 64.86 65.17 3gxi h ILE 158 Cb 0.04 1.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.85 3gxi h ILE 158 CO -0.00 0.21 0.56 -0.65 0.00 0.00 0.00 178.15 178.27 3gxi h PRO 159 N -0.39 0.74 -0.39 2.37 0.11 -1.77 -1.08 132.00 131.59 3gxi h PRO 159 Ca -0.00 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.92 3gxi h PRO 159 Cb 0.37 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 3gxi h PRO 159 CO 0.00 0.49 -0.34 -0.07 -0.21 0.00 0.00 178.00 177.88 3gxi h LEU 160 N 0.76 0.94 -0.36 2.35 3.38 -1.28 -2.33 115.31 118.77 3gxi h LEU 160 Ca 0.41 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3gxi h LEU 160 Cb 0.54 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3gxi h LEU 160 CO -0.18 1.18 0.23 0.40 0.09 0.00 0.00 178.44 180.17 3gxi h ILE 161 N 0.74 1.09 -0.53 1.22 2.04 -0.78 -0.21 117.51 121.09 3gxi h ILE 161 Ca 0.07 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.80 3gxi h ILE 161 Cb 0.91 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 3gxi h ILE 161 CO 0.08 0.09 0.31 0.45 0.00 0.00 0.00 178.15 179.08 3gxi h HIS 162 N 0.48 0.57 -0.50 1.37 3.86 -1.09 -1.23 115.15 118.62 3gxi h HIS 162 Ca 0.13 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.26 3gxi h HIS 162 Cb -0.05 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 3gxi h HIS 162 CO -0.05 0.32 -0.08 0.00 0.86 0.00 0.00 177.93 178.98 3gxi h ARG 163 N 0.61 0.90 -0.24 2.45 3.08 -1.25 -1.45 114.38 118.49 3gxi h ARG 163 Ca 0.21 -0.30 0.03 0.00 0.07 0.00 0.00 59.98 59.99 3gxi h ARG 163 Cb 0.04 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3gxi h ARG 163 CO -0.10 0.95 0.06 0.00 -1.07 0.00 0.00 179.97 179.81 3gxi h ALA 164 N 1.09 0.25 -0.48 0.04 0.00 -0.38 -2.09 119.26 117.69 3gxi h ALA 164 Ca 0.14 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3gxi h ALA 164 Cb 0.59 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3gxi h ALA 164 CO 0.04 -0.35 0.02 -0.07 0.00 0.00 0.00 179.25 178.88 3gxi h LEU 165 N 0.16 0.74 -0.79 0.00 3.38 -1.01 -1.10 115.31 116.69 3gxi h LEU 165 Ca 0.11 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3gxi h LEU 165 Cb 0.09 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3gxi h LEU 165 CO -0.12 0.79 0.32 -0.61 0.09 0.00 0.00 178.44 178.91 3gxi h GLN 166 N 0.73 1.18 -0.19 1.13 -0.00 -1.06 -3.01 115.11 113.89 3gxi h GLN 166 Ca 0.15 -0.21 -0.15 0.00 -0.00 0.00 0.00 58.65 58.44 3gxi h GLN 166 Cb 0.42 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 27.70 3gxi h GLN 166 CO 0.02 0.95 -0.50 -0.07 0.00 0.00 0.00 178.83 179.23 3gxi h LEU 167 N 1.14 0.55 -9.63 -2.39 3.38 -1.09 -3.44 115.31 103.83 3gxi h LEU 167 Ca 0.26 -0.28 -0.52 0.00 0.09 0.00 0.00 57.88 57.43 3gxi h LEU 167 Cb 0.21 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 40.83 3gxi h LEU 167 CO -0.02 0.96 0.59 0.00 0.09 0.00 0.00 178.44 180.06 3gxi s ALA 168 N -4.06 3.46 -0.05 1.53 0.00 -0.44 -4.37 121.76 117.83 3gxi s ALA 168 Ca -0.07 0.99 -0.14 0.00 0.00 0.00 0.00 51.96 52.74 3gxi s ALA 168 Cb 0.12 -3.44 -0.31 0.00 0.00 0.00 0.00 23.12 19.49 3gxi s ALA 168 CO 0.83 -0.44 0.71 1.96 0.00 0.00 0.00 175.76 178.82 3gxi h GLN 169 N 5.59 0.37 -6.99 0.00 1.08 -1.85 -3.46 115.11 109.85 3gxi h GLN 169 Ca -0.44 -0.63 -0.52 0.00 -1.45 0.00 0.00 58.65 55.61 3gxi h GLN 169 Cb 1.21 0.23 0.08 0.00 -0.05 0.00 0.00 27.48 28.96 3gxi h GLN 169 CO 0.77 1.30 0.55 1.03 -0.95 0.00 0.00 178.83 181.53 3gxi s ARG 170 N -2.54 3.72 0.28 1.46 0.52 -1.26 -4.98 118.95 116.15 3gxi s ARG 170 Ca -0.16 1.99 -0.30 0.00 -0.52 0.00 0.00 55.73 56.74 3gxi s ARG 170 Cb 0.04 -2.51 -0.12 0.00 0.52 0.00 0.00 34.95 32.89 3gxi s ARG 170 CO 0.84 -0.64 1.61 -2.30 0.02 0.00 0.00 175.30 174.83 3gxi n PRO 171 N -0.36 2.70 -3.95 3.54 -0.02 -1.26 -5.00 135.00 130.65 3gxi n PRO 171 Ca 0.07 0.96 -0.35 0.00 -2.02 0.00 0.00 63.50 62.16 3gxi n PRO 171 Cb 0.46 -2.75 -0.09 0.00 -0.02 0.00 0.00 33.50 31.10 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 0.12 5.03 -0.21 -1.45 1.01 -1.26 -4.83 120.40 118.82 3gxi s VAL 172 Ca 0.65 0.05 -0.16 0.00 0.00 0.00 0.00 61.98 62.52 3gxi s VAL 172 Cb -0.50 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 3gxi s VAL 172 CO 0.47 0.50 0.40 -0.44 0.00 0.00 0.00 175.10 176.03 3gxi s SER 173 N -0.04 6.40 -0.06 3.32 0.01 0.43 -4.98 113.70 118.78 3gxi s SER 173 Ca 0.08 0.48 -0.14 0.00 1.31 0.00 0.00 55.95 57.67 3gxi s SER 173 Cb -0.12 -2.23 -0.05 0.00 0.21 0.00 0.00 66.02 63.83 3gxi s SER 173 CO 0.01 -0.10 0.38 -0.76 0.41 0.00 0.00 173.24 173.17 3gxi s LEU 174 N 1.46 4.40 -0.15 2.44 1.43 -1.26 -1.49 118.68 125.51 3gxi s LEU 174 Ca 0.18 0.82 0.01 0.00 -1.03 0.00 0.00 54.13 54.11 3gxi s LEU 174 Cb -0.15 -2.52 0.02 0.00 0.03 0.00 0.00 46.19 43.57 3gxi s LEU 174 CO 0.08 0.24 -0.18 -0.22 0.23 0.00 0.00 176.35 176.50 3gxi s LEU 175 N -0.53 1.92 0.03 1.79 2.96 -0.57 0.10 118.68 124.39 3gxi s LEU 175 Ca 0.22 -0.55 0.03 0.00 -0.22 0.00 0.00 54.13 53.61 3gxi s LEU 175 Cb -0.15 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 3gxi s LEU 175 CO 0.10 0.01 -0.00 0.00 -1.32 0.00 0.00 176.35 175.14 3gxi s ALA 176 N 1.18 3.27 -0.07 5.97 0.00 -0.35 0.10 121.76 131.85 3gxi s ALA 176 Ca 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 3gxi s ALA 176 Cb -0.14 -1.28 0.04 0.00 0.00 0.00 0.00 23.12 21.74 3gxi s ALA 176 CO -0.08 0.66 0.17 -1.12 0.00 0.00 0.00 175.76 175.40 3gxi s SER 177 N -1.80 -0.15 0.18 0.00 0.01 -1.01 -0.42 113.70 110.51 3gxi s SER 177 Ca 0.21 0.36 -0.14 0.00 1.31 0.00 0.00 55.95 57.69 3gxi s SER 177 Cb -0.12 0.25 -0.07 0.00 0.21 0.00 0.00 66.02 66.29 3gxi s SER 177 CO 0.13 -0.15 0.58 -2.16 0.41 0.00 0.00 173.24 172.05 3gxi s PRO 178 N 1.12 3.98 -0.22 12.44 0.04 -1.26 -0.93 135.00 150.17 3gxi s PRO 178 Ca -0.09 0.51 -0.16 0.00 0.04 0.00 0.00 61.00 61.30 3gxi s PRO 178 Cb -0.11 -2.84 -0.10 0.00 0.04 0.00 0.00 34.50 31.49 3gxi s PRO 178 CO -0.06 0.42 -0.22 0.91 0.04 0.00 0.00 177.00 178.09 3gxi n TRP 179 N 0.53 0.34 -4.30 0.56 8.01 -1.26 -0.55 117.44 120.77 3gxi n TRP 179 Ca -0.03 0.15 -0.24 0.00 -1.31 0.00 0.00 57.50 56.07 3gxi n TRP 179 Cb 0.52 -0.85 -0.12 0.00 -2.01 0.00 0.00 31.31 28.85 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 -2.55 1.76 0.81 -0.99 -1.32 -1.26 -2.86 115.64 109.23 3gxi s THR 180 Ca -0.31 -1.65 -0.12 0.00 -1.21 0.00 0.00 61.69 58.40 3gxi s THR 180 Cb 0.08 -1.65 0.08 0.00 -1.51 0.00 0.00 72.50 69.50 3gxi s THR 180 CO 0.45 -0.12 1.12 -0.94 -2.21 0.00 0.00 174.62 172.92 3gxi s SER 181 N -2.12 4.41 0.33 8.08 1.04 -1.26 -4.96 113.70 119.23 3gxi s SER 181 Ca 0.09 1.13 -0.24 0.00 0.48 0.00 0.00 55.95 57.41 3gxi s SER 181 Cb -0.09 -1.80 -0.16 0.00 0.10 0.00 0.00 66.02 64.07 3gxi s SER 181 CO 0.05 -2.00 0.24 -2.65 0.98 0.00 0.00 173.24 169.86 3gxi n PRO 182 N -3.43 0.00 0.21 4.02 -0.02 -1.26 -4.85 135.00 129.67 3gxi n PRO 182 Ca 0.07 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.63 3gxi n PRO 182 Cb 0.58 -1.00 0.42 0.00 -0.02 0.00 0.00 33.50 33.48 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 0.56 0.77 0.00 3.45 1.35 -1.89 -2.28 112.91 114.86 3gxi h THR 183 Ca -0.34 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.26 3gxi h THR 183 Cb 1.44 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 3gxi h THR 183 CO 0.50 0.29 0.00 4.11 -0.25 0.00 0.00 175.52 180.18 3gxi h TRP 184 N 0.00 0.00 0.00 4.73 5.08 -1.90 -1.99 115.95 121.87 3gxi h TRP 184 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3gxi h TRP 184 Cb 0.77 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.93 3gxi h TRP 184 CO 0.00 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 178.44 3gxi n LEU 185 N -2.57 0.00 -4.52 0.11 4.77 -0.86 -4.89 117.00 109.04 3gxi n LEU 185 Ca 0.03 0.19 -0.33 0.00 -0.03 0.00 0.00 56.01 55.88 3gxi n LEU 185 Cb 0.36 -0.19 -0.12 0.00 -2.33 0.00 0.00 43.42 41.14 3gxi n LEU 185 CO 0.27 -0.03 -0.42 -0.54 -1.33 0.00 0.00 177.39 175.34 3gxi s LYS 186 N -2.39 2.57 0.53 3.23 1.02 -0.75 -0.97 119.74 122.99 3gxi s LYS 186 Ca 0.30 -0.66 0.24 0.00 0.02 0.00 0.00 55.97 55.87 3gxi s LYS 186 Cb 0.18 -2.45 1.39 0.00 -0.52 0.00 0.00 37.83 36.43 3gxi s LYS 186 CO 0.37 0.63 2.02 1.79 -0.92 0.00 0.00 175.35 179.24 3gxi h THR 187 N 4.23 0.75 -0.02 2.17 1.35 -1.30 -2.09 112.91 118.00 3gxi h THR 187 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3gxi h THR 187 Cb 1.16 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 3gxi h THR 187 CO 0.51 0.00 -0.22 -0.46 -0.25 0.00 0.00 175.52 175.10 3gxi n ASN 188 N -4.37 2.26 -3.71 5.36 6.94 -1.26 -4.99 115.26 115.48 3gxi n ASN 188 Ca 0.08 -1.63 -0.28 0.00 -0.02 0.00 0.00 54.58 52.73 3gxi n ASN 188 Cb 0.53 0.26 0.01 0.00 -2.36 0.00 0.00 39.78 38.22 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 1.24 -0.49 3.22 4.83 0.00 -0.79 -4.98 105.19 108.22 3gxi n GLY 189 Ca 0.10 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.16 -0.64 0.35 4.61 0.00 -1.26 -4.88 121.76 116.78 3gxi s ALA 190 Ca 0.56 0.10 0.20 0.00 0.00 0.00 0.00 51.96 52.82 3gxi s ALA 190 Cb -0.29 0.17 1.02 0.00 0.00 0.00 0.00 23.12 24.02 3gxi s ALA 190 CO 0.69 -0.31 1.92 -0.39 0.00 0.00 0.00 175.76 177.68 3gxi h VAL 191 N 3.69 0.89 -3.45 0.00 -1.51 -1.92 -3.45 116.25 110.49 3gxi h VAL 191 Ca -0.31 -0.97 0.00 0.00 -1.23 0.00 0.00 66.70 64.20 3gxi h VAL 191 Cb 1.19 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.91 3gxi h VAL 191 CO 0.43 0.25 0.00 -0.46 -1.23 0.00 0.00 177.57 176.55 3gxi n ASN 192 N -3.82 1.96 -0.13 4.19 0.23 -1.26 -1.67 115.26 114.76 3gxi n ASN 192 Ca -0.02 -0.49 0.02 0.00 -0.53 0.00 0.00 54.58 53.56 3gxi n ASN 192 Cb 0.35 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.04 3gxi n ASN 192 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gxi n GLY 193 N 4.91 -1.53 3.68 4.83 0.00 0.87 -4.79 105.19 113.17 3gxi n GLY 193 Ca 0.00 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.42 4.36 0.00 1.61 2.20 -1.16 -4.59 119.74 120.73 3gxi s LYS 194 Ca 0.00 1.54 0.00 0.00 -0.36 0.00 0.00 55.97 57.15 3gxi s LYS 194 Cb 0.00 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.74 3gxi s LYS 194 CO 0.00 -0.44 0.00 0.41 -0.36 0.00 0.00 175.35 174.96 3gxi n GLY 195 N 3.29 1.84 1.77 5.54 0.00 -0.28 -4.63 105.19 112.73 3gxi n GLY 195 Ca 0.11 0.05 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 3gxi n GLY 195 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gxi n SER 196 N 0.00 2.28 -4.76 1.61 3.41 -1.26 -0.99 113.62 113.91 3gxi n SER 196 Ca 0.00 -2.10 -0.41 0.00 -0.26 0.00 0.00 58.87 56.10 3gxi n SER 196 Cb 0.00 0.26 -0.01 0.00 -0.26 0.00 0.00 64.21 64.21 3gxi n SER 196 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gxi n LEU 197 N 0.00 4.53 -4.76 1.04 4.77 -1.26 -0.94 117.00 120.38 3gxi n LEU 197 Ca -0.09 1.19 -0.33 0.00 -0.03 0.00 0.00 56.01 56.76 3gxi n LEU 197 Cb 0.32 -1.60 0.07 0.00 -2.33 0.00 0.00 43.42 39.88 3gxi n LEU 197 CO 0.17 0.12 0.74 -0.54 -1.33 0.00 0.00 177.39 176.54 3gxi s LYS 198 N -1.44 2.44 3.63 3.23 1.02 -0.14 -4.62 119.74 123.86 3gxi s LYS 198 Ca 0.58 1.41 0.00 0.00 0.02 0.00 0.00 55.97 57.98 3gxi s LYS 198 Cb -0.49 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 34.92 3gxi s LYS 198 CO 0.58 -1.53 0.00 0.41 -0.92 0.00 0.00 175.35 173.88 3gxi n GLY 199 N -0.49 0.24 2.96 -3.33 0.00 -1.26 -4.57 105.19 98.74 3gxi n GLY 199 Ca 0.11 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 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 0.25 0.39 1.61 -1.52 -1.26 -5.08 119.66 114.04 3gxi s GLN 200 Ca 0.00 -0.44 -0.24 0.00 -1.95 0.00 0.00 55.36 52.73 3gxi s GLN 200 Cb 0.00 0.03 -0.12 0.00 -0.22 0.00 0.00 33.01 32.70 3gxi s GLN 200 CO 0.00 -0.02 0.72 -2.30 -0.25 0.00 0.00 175.29 173.43 3gxi n PRO 201 N 2.04 0.81 0.00 2.91 -0.02 -1.26 -1.86 135.00 137.63 3gxi n PRO 201 Ca -0.20 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 3gxi n PRO 201 Cb 0.56 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 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 1.58 2.91 2.82 -1.23 0.00 -1.26 -5.04 105.19 104.97 3gxi n GLY 202 Ca 0.11 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 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 0.20 0.28 0.01 1.61 5.68 -0.78 -4.70 116.55 118.85 3gxi n ASP 203 Ca 0.00 -1.46 -0.01 0.00 -0.50 0.00 0.00 54.79 52.82 3gxi n ASP 203 Cb 0.00 -0.68 0.26 0.00 -1.14 0.00 0.00 41.12 39.56 3gxi n ASP 203 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3gxi h ILE 204 N -1.34 1.22 -0.40 2.12 2.10 -1.95 0.09 117.51 119.36 3gxi h ILE 204 Ca -0.30 -0.97 -0.07 0.00 1.08 0.00 0.00 64.86 64.59 3gxi h ILE 204 Cb 0.87 1.11 -0.01 0.00 -1.09 0.00 0.00 36.82 37.70 3gxi h ILE 204 CO 0.23 0.32 -0.04 1.88 -1.08 0.00 0.00 178.15 179.46 3gxi h TYR 205 N 0.47 0.81 -0.21 2.19 0.05 -1.92 -0.64 116.97 117.72 3gxi h TYR 205 Ca 0.09 -0.15 -0.18 0.00 0.05 0.00 0.00 58.73 58.53 3gxi h TYR 205 Cb 0.46 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 38.00 3gxi h TYR 205 CO 0.02 0.83 -0.60 0.45 -1.05 0.00 0.00 178.16 177.81 3gxi h HIS 206 N 0.55 0.90 -0.55 4.88 3.86 -1.71 -1.94 115.15 121.14 3gxi h HIS 206 Ca 0.11 -0.34 -0.05 0.00 -1.16 0.00 0.00 60.37 58.93 3gxi h HIS 206 Cb 0.53 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.82 3gxi h HIS 206 CO 0.04 1.13 0.16 1.96 0.86 0.00 0.00 177.93 182.08 3gxi h GLN 207 N 0.53 0.87 -0.46 2.45 1.08 -0.97 -1.91 115.11 116.70 3gxi h GLN 207 Ca -0.00 -0.20 -0.01 0.00 -1.45 0.00 0.00 58.65 56.99 3gxi h GLN 207 Cb 1.18 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.47 3gxi h GLN 207 CO 0.12 0.80 0.26 1.15 -0.95 0.00 0.00 178.83 180.21 3gxi h THR 208 N 0.78 1.16 -0.62 -0.54 2.02 -1.07 -0.39 112.91 114.24 3gxi h THR 208 Ca 0.18 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 3gxi h THR 208 Cb 0.31 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 3gxi h THR 208 CO -0.00 0.16 0.37 -0.25 0.37 0.00 0.00 175.52 176.18 3gxi h TRP 209 N 0.60 0.82 -0.86 3.16 -0.00 -1.33 -0.04 115.95 118.31 3gxi h TRP 209 Ca 0.16 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 59.03 3gxi h TRP 209 Cb 0.03 -0.27 -0.04 0.00 -0.00 0.00 0.00 29.16 28.88 3gxi h TRP 209 CO -0.02 0.56 0.47 0.00 -0.00 0.00 0.00 178.44 179.45 3gxi h ALA 210 N 1.19 1.20 0.00 2.65 0.00 -1.19 -2.52 119.26 120.59 3gxi h ALA 210 Ca 0.22 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3gxi h ALA 210 Cb -0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3gxi h ALA 210 CO -0.04 0.64 -0.31 0.00 0.00 0.00 0.00 179.25 179.54 3gxi h ARG 211 N 1.21 0.00 -0.68 0.00 3.08 -0.26 -2.21 114.38 115.51 3gxi h ARG 211 Ca 0.30 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 3gxi h ARG 211 Cb 0.03 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 3gxi h ARG 211 CO -0.05 0.31 0.38 -0.92 -1.07 0.00 0.00 179.97 178.62 3gxi h TYR 212 N 0.00 0.94 -0.47 3.04 3.20 -0.59 0.15 116.97 123.24 3gxi h TYR 212 Ca -0.00 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.89 3gxi h TYR 212 Cb 0.64 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 3gxi h TYR 212 CO 0.00 0.67 0.22 0.74 -1.64 0.00 0.00 178.16 178.15 3gxi h PHE 213 N 0.94 0.41 -0.70 -3.82 -1.00 -1.23 -0.24 116.94 111.30 3gxi h PHE 213 Ca 0.24 0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.97 3gxi h PHE 213 Cb 0.04 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 39.46 3gxi h PHE 213 CO -0.00 0.19 0.15 0.28 -1.61 0.00 0.00 178.31 177.32 3gxi h VAL 214 N 0.44 1.26 -0.89 -0.55 2.07 -1.29 -1.51 116.25 115.79 3gxi h VAL 214 Ca 0.21 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 3gxi h VAL 214 Cb 0.14 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 3gxi h VAL 214 CO -0.16 0.38 0.50 0.11 0.02 0.00 0.00 177.57 178.41 3gxi h LYS 215 N 1.06 1.23 0.41 1.57 1.79 -0.79 0.14 116.57 121.97 3gxi h LYS 215 Ca 0.22 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 3gxi h LYS 215 Cb 0.39 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 3gxi h LYS 215 CO 0.01 0.89 -0.20 0.35 -1.08 0.00 0.00 179.45 179.41 3gxi h PHE 216 N 1.23 -0.52 -0.76 -1.35 3.57 -0.62 -0.55 116.94 117.94 3gxi h PHE 216 Ca 0.31 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.91 3gxi h PHE 216 Cb 0.01 0.17 -0.08 0.00 2.79 0.00 0.00 35.95 38.84 3gxi h PHE 216 CO 0.01 -0.32 0.38 -0.07 -2.23 0.00 0.00 178.31 176.08 3gxi h LEU 217 N -0.55 0.48 -0.48 0.59 3.38 -1.10 -0.94 115.31 116.68 3gxi h LEU 217 Ca -0.05 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3gxi h LEU 217 Cb 0.43 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3gxi h LEU 217 CO 0.09 0.25 0.29 0.44 0.09 0.00 0.00 178.44 179.59 3gxi h ASP 218 N 0.61 0.57 -0.47 -0.43 3.32 -0.53 -0.78 116.42 118.71 3gxi h ASP 218 Ca 0.39 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.32 3gxi h ASP 218 Cb 0.47 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3gxi h ASP 218 CO -0.31 0.46 0.02 0.00 -1.72 0.00 0.00 179.24 177.69 3gxi h ALA 219 N 1.14 0.63 -0.77 3.45 0.00 -0.65 -1.33 119.26 121.73 3gxi h ALA 219 Ca 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3gxi h ALA 219 Cb -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3gxi h ALA 219 CO -0.03 0.41 0.40 1.88 0.00 0.00 0.00 179.25 181.90 3gxi h TYR 220 N 0.67 1.08 -0.45 0.00 -1.99 -1.09 -2.68 116.97 112.50 3gxi h TYR 220 Ca 0.14 -0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.81 3gxi h TYR 220 Cb 0.47 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 38.84 3gxi h TYR 220 CO 0.04 0.76 0.20 0.00 -0.00 0.00 0.00 178.16 179.16 3gxi h ALA 221 N 1.35 1.50 -0.15 3.88 0.00 -0.85 -0.68 119.26 124.31 3gxi h ALA 221 Ca 0.27 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3gxi h ALA 221 Cb 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3gxi h ALA 221 CO -0.04 0.39 0.11 0.93 0.00 0.00 0.00 179.25 180.65 3gxi h GLU 222 N 0.64 0.00 -0.64 0.00 5.08 -0.90 0.45 114.58 119.21 3gxi h GLU 222 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3gxi h GLU 222 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3gxi h GLU 222 CO -0.02 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.71 3gxi n HIS 223 N -4.42 1.40 -2.64 4.33 8.25 -0.36 -4.94 115.22 116.84 3gxi n HIS 223 Ca 0.01 -0.54 -0.18 0.00 -0.26 0.00 0.00 57.72 56.74 3gxi n HIS 223 Cb 0.24 -0.26 0.01 0.00 1.12 0.00 0.00 29.99 31.10 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 0.91 -2.88 -4.63 -0.41 5.02 0.15 -5.02 118.16 111.30 3gxi n LYS 224 Ca 0.23 0.80 -0.33 0.00 -2.02 0.00 0.00 58.31 56.99 3gxi n LYS 224 Cb 0.84 -5.31 -0.14 0.00 -0.02 0.00 0.00 35.03 30.40 3gxi n LYS 224 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gxi s LEU 225 N -5.36 2.71 0.12 -0.35 1.43 -0.58 -4.99 118.68 111.66 3gxi s LEU 225 Ca 0.14 -0.35 0.08 0.00 -1.03 0.00 0.00 54.13 52.96 3gxi s LEU 225 Cb -0.06 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 3gxi s LEU 225 CO 0.17 0.13 -0.10 -1.10 0.23 0.00 0.00 176.35 175.69 3gxi s GLN 226 N 0.54 2.11 -0.11 1.70 -1.52 -1.26 -2.94 119.66 118.19 3gxi s GLN 226 Ca -0.08 -1.08 -0.05 0.00 -1.95 0.00 0.00 55.36 52.20 3gxi s GLN 226 Cb -0.16 -2.27 -0.04 0.00 -0.22 0.00 0.00 33.01 30.32 3gxi s GLN 226 CO 0.04 0.49 0.07 -0.06 -0.25 0.00 0.00 175.29 175.58 3gxi s PHE 227 N -1.32 3.37 0.08 0.91 0.40 -1.26 -4.43 117.98 115.72 3gxi s PHE 227 Ca 0.22 0.34 -0.15 0.00 -0.60 0.00 0.00 56.93 56.74 3gxi s PHE 227 Cb -0.11 -1.88 -0.15 0.00 0.51 0.00 0.00 43.02 41.39 3gxi s PHE 227 CO 0.14 0.57 1.30 2.35 0.70 0.00 0.00 175.22 180.27 3gxi h TRP 228 N 5.21 0.89 -2.92 0.36 7.01 0.37 -3.42 115.95 123.45 3gxi h TRP 228 Ca -0.52 -0.37 -0.04 0.00 2.11 0.00 0.00 58.89 60.07 3gxi h TRP 228 Cb 1.21 -0.15 -0.14 0.00 -2.10 0.00 0.00 29.16 27.98 3gxi h TRP 228 CO 0.68 1.17 0.09 0.00 -2.79 0.00 0.00 178.44 177.59 3gxi s ALA 229 N -3.83 -1.38 0.11 2.65 0.00 -1.02 -1.63 121.76 116.67 3gxi s ALA 229 Ca -0.12 0.48 0.10 0.00 0.00 0.00 0.00 51.96 52.42 3gxi s ALA 229 Cb 0.07 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 3gxi s ALA 229 CO 0.86 -0.62 -0.24 0.14 0.00 0.00 0.00 175.76 175.90 3gxi s VAL 230 N -3.10 2.00 0.26 0.00 -7.23 0.23 -1.21 120.40 111.35 3gxi s VAL 230 Ca -0.02 -1.64 -0.03 0.00 -1.81 0.00 0.00 61.98 58.49 3gxi s VAL 230 Cb -0.00 -1.79 -0.05 0.00 0.56 0.00 0.00 36.38 35.11 3gxi s VAL 230 CO -0.07 0.04 0.48 0.42 -0.31 0.00 0.00 175.10 175.66 3gxi s THR 231 N -1.09 5.11 0.55 5.32 -4.23 0.44 -0.61 115.64 121.13 3gxi s THR 231 Ca 0.10 -0.17 0.31 0.00 -1.18 0.00 0.00 61.69 60.75 3gxi s THR 231 Cb -0.10 -3.74 0.35 0.00 1.34 0.00 0.00 72.50 70.35 3gxi s THR 231 CO 0.05 -0.28 2.22 0.00 -0.54 0.00 0.00 174.62 176.07 3gxi h ALA 232 N 1.74 1.40 0.00 3.99 0.00 -1.56 -3.42 119.26 121.42 3gxi h ALA 232 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3gxi h ALA 232 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3gxi h ALA 232 CO 0.66 0.04 0.00 -1.91 0.00 0.00 0.00 179.25 178.04 3gxi n GLU 233 N -3.71 0.00 -2.17 0.00 4.07 -1.26 -4.93 120.64 112.64 3gxi n GLU 233 Ca -0.03 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.65 3gxi n GLU 233 Cb 0.12 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.47 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 6.81 -1.08 4.31 2.47 0.28 -4.21 114.94 123.53 3gxi s ASN 234 Ca 0.00 2.25 -0.20 0.00 0.42 0.00 0.00 52.86 55.33 3gxi s ASN 234 Cb 0.00 -2.57 0.01 0.00 -1.45 0.00 0.00 41.25 37.24 3gxi s ASN 234 CO 0.00 -0.70 0.73 -0.62 -3.72 0.00 0.00 177.10 172.78 3gxi n GLU 235 N 4.74 -1.00 0.14 0.43 1.02 0.35 -4.74 120.64 121.59 3gxi n GLU 235 Ca 0.13 0.48 0.16 0.00 -0.02 0.00 0.00 57.16 57.90 3gxi n GLU 235 Cb 0.43 -3.48 0.72 0.00 -0.02 0.00 0.00 31.44 29.09 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 -1.66 0.00 0.00 3.49 0.13 -1.75 -0.71 132.00 131.50 3gxi h PRO 236 Ca -0.63 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.48 3gxi h PRO 236 Cb 1.35 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.48 3gxi h PRO 236 CO 0.46 0.00 -0.10 0.66 -0.23 0.00 0.00 178.00 178.79 3gxi h SER 237 N 0.00 0.00 -0.32 1.44 4.64 -1.87 -2.12 113.55 115.31 3gxi h SER 237 Ca 0.13 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.34 3gxi h SER 237 Cb 0.55 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 3gxi h SER 237 CO -0.00 0.10 -0.17 0.00 -0.87 0.00 0.00 176.83 175.89 3gxi h ALA 238 N 1.90 0.93 0.00 5.18 0.00 -1.46 -2.34 119.26 123.46 3gxi h ALA 238 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3gxi h ALA 238 Cb 0.49 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3gxi h ALA 238 CO 0.01 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.29 3gxi n GLY 239 N -0.33 -0.79 0.23 0.00 0.00 -1.16 -2.12 105.19 101.02 3gxi n GLY 239 Ca 0.01 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.19 0.79 -4.51 0.99 4.77 -0.88 -1.12 117.00 115.85 3gxi n LEU 240 Ca 0.11 -0.20 -0.36 0.00 -0.03 0.00 0.00 56.01 55.53 3gxi n LEU 240 Cb 0.12 -0.08 -0.12 0.00 -2.33 0.00 0.00 43.42 41.01 3gxi n LEU 240 CO 0.13 0.14 -0.26 -0.76 -1.33 0.00 0.00 177.39 175.31 3gxi s LEU 241 N -2.23 3.60 0.26 2.23 1.43 -0.90 -4.92 118.68 118.15 3gxi s LEU 241 Ca 0.35 -0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 53.03 3gxi s LEU 241 Cb 0.21 -1.96 -0.11 0.00 0.03 0.00 0.00 46.19 44.36 3gxi s LEU 241 CO 0.41 0.01 1.54 -0.94 0.23 0.00 0.00 176.35 177.60 3gxi s SER 242 N 1.38 6.50 0.00 2.29 1.04 -1.26 -2.16 113.70 121.49 3gxi s SER 242 Ca 0.05 2.80 0.00 0.00 0.48 0.00 0.00 55.95 59.29 3gxi s SER 242 Cb -0.15 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.35 3gxi s SER 242 CO 0.04 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.05 3gxi n GLY 243 N 2.42 0.45 3.66 7.32 0.00 -1.26 -4.85 105.19 112.94 3gxi n GLY 243 Ca 0.09 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.74 2.05 0.20 1.61 9.36 -0.92 -4.71 117.16 122.03 3gxi n TYR 244 Ca 0.00 0.34 0.09 0.00 3.32 0.00 0.00 57.90 61.65 3gxi n TYR 244 Cb 0.08 -2.51 0.31 0.00 -0.63 0.00 0.00 39.34 36.60 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 6.71 0.00 0.00 2.98 0.13 -1.93 0.25 132.00 140.14 3gxi h PRO 245 Ca -0.47 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.36 3gxi h PRO 245 Cb 1.29 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.35 3gxi h PRO 245 CO 0.89 0.24 -0.26 1.97 -0.23 0.00 0.00 178.00 180.61 3gxi n PHE 246 N -3.27 0.02 -1.67 1.56 1.16 -1.26 -4.82 117.46 109.17 3gxi n PHE 246 Ca 0.01 -1.46 -0.46 0.00 -1.87 0.00 0.00 57.45 53.67 3gxi n PHE 246 Cb 0.52 0.02 -0.04 0.00 -1.61 0.00 0.00 39.48 38.36 3gxi n PHE 246 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 3gxi n GLN 247 N -0.49 2.19 -3.91 3.97 3.00 -1.26 -4.32 117.38 116.56 3gxi n GLN 247 Ca -0.02 0.79 -0.09 0.00 -0.01 0.00 0.00 57.00 57.67 3gxi n GLN 247 Cb 0.34 -2.58 -0.02 0.00 0.00 0.00 0.00 30.24 27.98 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 -3.03 -1.33 0.22 0.00 2.96 -1.14 -4.34 118.68 112.02 3gxi s LEU 249 Ca 0.18 0.57 -0.30 0.00 -0.22 0.00 0.00 54.13 54.36 3gxi s LEU 249 Cb -0.04 1.95 -0.08 0.00 0.50 0.00 0.00 46.19 48.52 3gxi s LEU 249 CO 0.11 -0.28 1.14 -0.83 -1.32 0.00 0.00 176.35 175.16 3gxi s GLY 250 N 2.80 2.87 -0.03 7.98 0.00 -0.16 -4.43 107.32 116.33 3gxi s GLY 250 Ca 0.17 0.89 -0.01 0.00 0.00 0.00 0.00 44.72 45.77 3gxi s GLY 250 CO -0.22 1.67 0.06 -1.36 0.00 0.00 0.00 173.10 173.25 3gxi s PHE 251 N -0.50 0.02 0.87 1.90 0.40 -0.81 -4.41 117.98 115.45 3gxi s PHE 251 Ca 0.49 0.23 -0.10 0.00 -0.60 0.00 0.00 56.93 56.94 3gxi s PHE 251 Cb -0.31 -0.34 0.11 0.00 0.51 0.00 0.00 43.02 42.99 3gxi s PHE 251 CO 0.38 -0.15 1.12 0.95 0.70 0.00 0.00 175.22 178.22 3gxi s THR 252 N 1.63 2.57 0.42 0.64 -4.23 -1.26 -4.33 115.64 111.08 3gxi s THR 252 Ca -0.02 0.18 0.09 0.00 -1.18 0.00 0.00 61.69 60.76 3gxi s THR 252 Cb -0.12 -2.40 0.28 0.00 1.34 0.00 0.00 72.50 71.60 3gxi s THR 252 CO -0.03 -0.24 2.04 1.55 -0.54 0.00 0.00 174.62 177.40 3gxi h PRO 253 N -1.60 0.48 -0.42 3.99 0.13 -1.99 0.21 132.00 132.80 3gxi h PRO 253 Ca -0.44 -0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 3gxi h PRO 253 Cb 1.26 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3gxi h PRO 253 CO 0.46 0.32 -0.26 0.93 -0.23 0.00 0.00 178.00 179.22 3gxi h GLU 254 N 0.49 0.91 -0.38 0.86 3.07 -1.93 0.23 114.58 117.83 3gxi h GLU 254 Ca 0.18 -0.43 -0.03 0.00 -0.50 0.00 0.00 59.36 58.58 3gxi h GLU 254 Cb 0.10 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 3gxi h GLU 254 CO -0.04 1.08 0.12 1.25 -1.40 0.00 0.00 179.01 180.01 3gxi h HIS 255 N 0.74 0.61 -0.21 4.33 2.76 -1.72 0.17 115.15 121.83 3gxi h HIS 255 Ca 0.09 -0.06 0.01 0.00 -2.20 0.00 0.00 60.37 58.21 3gxi h HIS 255 Cb 0.84 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.60 3gxi h HIS 255 CO 0.06 0.58 0.09 0.37 -1.30 0.00 0.00 177.93 177.73 3gxi h GLN 256 N 0.46 0.20 -0.38 5.26 4.15 -0.45 0.18 115.11 124.52 3gxi h GLN 256 Ca 0.12 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.61 3gxi h GLN 256 Cb 0.26 -0.04 -0.08 0.00 0.21 0.00 0.00 27.48 27.82 3gxi h GLN 256 CO -0.00 0.13 -0.17 -0.09 -1.93 0.00 0.00 178.83 176.77 3gxi h ARG 257 N 0.20 -0.09 -0.10 1.69 2.43 -0.66 -0.26 114.38 117.60 3gxi h ARG 257 Ca 0.09 0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.07 3gxi h ARG 257 Cb 0.03 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3gxi h ARG 257 CO -0.07 -0.06 -0.74 -0.44 -1.51 0.00 0.00 179.97 177.15 3gxi h ASP 258 N -0.10 0.59 -0.32 -3.80 3.32 -0.72 -0.22 116.42 115.18 3gxi h ASP 258 Ca 0.19 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.86 3gxi h ASP 258 Cb 0.38 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3gxi h ASP 258 CO -0.44 1.14 0.21 0.15 -1.72 0.00 0.00 179.24 178.57 3gxi h PHE 259 N 0.34 0.39 0.03 4.55 3.57 -0.42 0.11 116.94 125.51 3gxi h PHE 259 Ca -0.04 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 3gxi h PHE 259 Cb 1.33 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.93 3gxi h PHE 259 CO 0.05 0.24 -0.01 0.82 -2.23 0.00 0.00 178.31 177.18 3gxi h ILE 260 N 0.42 1.02 -0.07 1.41 2.04 -0.80 0.27 117.51 121.81 3gxi h ILE 260 Ca 0.12 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 3gxi h ILE 260 Cb -0.04 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3gxi h ILE 260 CO -0.03 0.04 0.04 0.00 0.00 0.00 0.00 178.15 178.20 3gxi h ALA 261 N 0.85 0.09 0.05 1.87 0.00 -0.96 0.18 119.26 121.35 3gxi h ALA 261 Ca -0.00 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.60 3gxi h ALA 261 Cb 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3gxi h ALA 261 CO 0.01 -0.39 -1.43 0.00 0.00 0.00 0.00 179.25 177.44 3gxi h ARG 262 N 0.06 0.11 0.00 0.00 2.47 -0.81 -3.41 114.38 112.80 3gxi h ARG 262 Ca 0.03 -0.19 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 3gxi h ARG 262 Cb 0.04 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 3gxi h ARG 262 CO -0.00 0.92 0.00 -0.25 0.56 0.00 0.00 179.97 181.19 3gxi n ASP 263 N -3.31 0.18 -0.12 7.04 8.00 -0.10 -4.71 116.55 123.53 3gxi n ASP 263 Ca -0.12 0.04 -0.10 0.00 0.71 0.00 0.00 54.79 55.32 3gxi n ASP 263 Cb 1.02 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 42.05 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 0.53 0.56 0.64 5.85 -1.13 -1.56 115.31 120.20 3gxi h LEU 264 Ca 0.00 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 3gxi h LEU 264 Cb 0.00 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3gxi h LEU 264 CO 0.00 0.62 -0.45 1.23 -0.34 0.00 0.00 178.44 179.50 3gxi h GLY 265 N 0.41 -1.22 0.99 3.75 0.00 -0.84 -1.16 103.07 105.00 3gxi h GLY 265 Ca 0.11 0.54 0.01 0.00 0.00 0.00 0.00 47.33 47.99 3gxi h GLY 265 CO 0.00 -0.39 0.58 -2.55 0.00 0.00 0.00 176.54 174.19 3gxi h PRO 266 N -0.98 1.15 -0.33 4.80 0.11 -1.74 -1.37 132.00 133.64 3gxi h PRO 266 Ca -0.07 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 3gxi h PRO 266 Cb 0.82 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 3gxi h PRO 266 CO 0.01 0.76 0.17 1.15 -0.21 0.00 0.00 178.00 179.88 3gxi h THR 267 N 1.18 1.15 -0.69 -1.15 2.02 -1.19 -0.77 112.91 113.47 3gxi h THR 267 Ca 0.33 -0.43 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 3gxi h THR 267 Cb -0.12 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 3gxi h THR 267 CO -0.08 0.16 0.19 -0.07 0.37 0.00 0.00 175.52 176.09 3gxi h LEU 268 N 0.41 1.02 -1.18 2.58 3.38 -1.00 -2.89 115.31 117.63 3gxi h LEU 268 Ca 0.12 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3gxi h LEU 268 Cb 0.10 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3gxi h LEU 268 CO -0.02 0.97 0.54 0.00 0.09 0.00 0.00 178.44 180.03 3gxi h ALA 269 N 1.09 1.40 -0.00 1.53 0.00 -0.95 -1.98 119.26 120.34 3gxi h ALA 269 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3gxi h ALA 269 Cb 0.33 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3gxi h ALA 269 CO -0.00 0.55 -0.04 -1.71 0.00 0.00 0.00 179.25 178.05 3gxi n ASN 270 N -4.41 0.21 -4.97 0.00 5.15 -0.32 -4.68 115.26 106.25 3gxi n ASN 270 Ca 0.09 -0.51 -0.21 0.00 -0.60 0.00 0.00 54.58 53.35 3gxi n ASN 270 Cb 0.03 -0.14 0.02 0.00 -0.53 0.00 0.00 39.78 39.15 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 -2.40 5.69 0.55 1.20 1.04 -0.75 -4.97 113.70 114.07 3gxi s SER 271 Ca 0.33 0.09 0.37 0.00 0.48 0.00 0.00 55.95 57.22 3gxi s SER 271 Cb 0.21 -1.26 2.00 0.00 0.10 0.00 0.00 66.02 67.06 3gxi s SER 271 CO 0.44 -0.78 2.12 0.71 0.98 0.00 0.00 173.24 176.71 3gxi h THR 272 N 0.40 0.00 -0.58 2.02 1.35 -1.89 -2.89 112.91 111.33 3gxi h THR 272 Ca -0.45 0.00 -0.22 0.00 -0.55 0.00 0.00 66.41 65.20 3gxi h THR 272 Cb 1.27 0.81 -0.13 0.00 -1.73 0.00 0.00 68.15 68.37 3gxi h THR 272 CO 0.54 0.00 0.28 1.41 -0.25 0.00 0.00 175.52 177.50 3gxi n HIS 273 N -2.80 1.86 0.32 4.73 8.25 -1.26 -4.59 115.22 121.74 3gxi n HIS 273 Ca -0.02 -1.07 0.20 0.00 -0.26 0.00 0.00 57.72 56.57 3gxi n HIS 273 Cb 0.07 -0.60 1.11 0.00 1.12 0.00 0.00 29.99 31.69 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 1.51 0.00 0.00 4.41 -0.00 -1.53 -1.22 115.15 118.31 3gxi h HIS 274 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.64 3gxi h HIS 274 Cb 2.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.41 3gxi h HIS 274 CO 0.97 0.01 0.00 -0.91 -0.00 0.00 0.00 177.93 178.00 3gxi h ASN 275 N 0.00 0.00 -2.69 3.10 2.35 -1.89 -3.45 115.58 113.00 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 0.04 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.45 3gxi h ASN 275 CO 0.00 0.00 0.99 -0.69 -1.65 0.00 0.00 177.43 176.08 3gxi s VAL 276 N -3.43 2.52 0.55 2.81 1.01 -0.46 -4.97 120.40 118.41 3gxi s VAL 276 Ca 0.04 0.25 -0.11 0.00 0.00 0.00 0.00 61.98 62.16 3gxi s VAL 276 Cb 0.08 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 3gxi s VAL 276 CO 0.55 0.01 0.94 -0.13 0.00 0.00 0.00 175.10 176.47 3gxi s ARG 277 N 1.77 3.68 -0.14 2.72 1.81 -0.64 -4.88 118.95 123.27 3gxi s ARG 277 Ca 0.74 0.65 0.01 0.00 -1.72 0.00 0.00 55.73 55.42 3gxi s ARG 277 Cb -0.45 -2.19 0.00 0.00 -0.45 0.00 0.00 34.95 31.86 3gxi s ARG 277 CO 0.33 -0.38 -0.18 -1.17 -0.68 0.00 0.00 175.30 173.22 3gxi s LEU 278 N -4.72 2.33 -0.10 2.53 2.96 -1.26 -0.60 118.68 119.82 3gxi s LEU 278 Ca 0.54 -0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 53.93 3gxi s LEU 278 Cb -0.11 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 3gxi s LEU 278 CO 0.45 0.10 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.77 3gxi s LEU 279 N 0.70 3.25 0.48 -0.68 1.43 0.22 -0.20 118.68 123.88 3gxi s LEU 279 Ca -0.08 -0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.03 3gxi s LEU 279 Cb -0.16 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.35 3gxi s LEU 279 CO 0.01 0.29 0.66 0.00 0.23 0.00 0.00 176.35 177.54 3gxi s MET 280 N -0.38 2.68 0.48 1.70 0.23 -0.39 -1.37 119.30 122.24 3gxi s MET 280 Ca 0.06 -1.13 0.00 0.00 -1.03 0.00 0.00 55.69 53.59 3gxi s MET 280 Cb -0.12 -2.66 0.00 0.00 -1.53 0.00 0.00 34.83 30.52 3gxi s MET 280 CO 0.02 -0.48 0.00 -0.11 -2.03 0.00 0.00 175.02 172.43 3gxi n LEU 281 N -2.05 0.00 -3.72 0.18 7.94 -1.26 -0.76 117.00 117.34 3gxi n LEU 281 Ca 0.09 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.77 3gxi n LEU 281 Cb 0.59 0.00 0.03 0.00 0.53 0.00 0.00 43.42 44.58 3gxi n LEU 281 CO 0.41 0.00 -0.05 -0.67 -1.11 0.00 0.00 177.39 175.97 3gxi n ASP 282 N 4.87 -1.50 -2.89 1.96 2.03 0.21 -4.30 116.55 116.94 3gxi n ASP 282 Ca 0.00 -0.81 -0.12 0.00 0.52 0.00 0.00 54.79 54.38 3gxi n ASP 282 Cb 0.00 -4.05 0.00 0.00 -0.72 0.00 0.00 41.12 36.35 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 -3.04 -1.86 -4.72 1.67 -0.08 -1.19 -0.49 116.55 106.84 3gxi n ASP 283 Ca -0.27 -2.74 -0.41 0.00 -1.51 0.00 0.00 54.79 49.86 3gxi n ASP 283 Cb 0.66 3.23 0.01 0.00 2.34 0.00 0.00 41.12 47.36 3gxi n ASP 283 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3gxi n GLN 284 N -0.56 2.13 0.00 -0.67 1.13 -1.26 -0.75 117.38 117.40 3gxi n GLN 284 Ca -0.04 0.75 0.05 0.00 -1.94 0.00 0.00 57.00 55.82 3gxi n GLN 284 Cb 0.59 -2.44 0.21 0.00 0.11 0.00 0.00 30.24 28.71 3gxi n GLN 284 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 3gxi n ARG 285 N 0.19 0.01 0.17 -1.09 1.85 -1.22 -2.01 116.66 114.56 3gxi n ARG 285 Ca 0.05 0.32 0.13 0.00 -1.00 0.00 0.00 57.85 57.35 3gxi n ARG 285 Cb 0.39 -1.50 0.56 0.00 -1.05 0.00 0.00 32.46 30.86 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 -0.32 2.89 -0.00 -1.91 -2.09 115.31 113.88 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 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 3gxi h LEU 286 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 178.44 178.62 3gxi n LEU 287 N -2.44 0.50 -4.77 0.17 4.77 -0.85 -4.81 117.00 109.56 3gxi n LEU 287 Ca 0.01 -0.17 -0.27 0.00 -0.03 0.00 0.00 56.01 55.55 3gxi n LEU 287 Cb 0.23 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 3gxi n LEU 287 CO 0.21 0.09 -0.24 -0.76 -1.33 0.00 0.00 177.39 175.35 3gxi s LEU 288 N -1.95 3.73 0.00 2.23 1.43 -0.79 -1.44 118.68 121.89 3gxi s LEU 288 Ca 0.43 -0.15 0.31 0.00 -1.03 0.00 0.00 54.13 53.69 3gxi s LEU 288 Cb 0.21 -2.36 1.60 0.00 0.03 0.00 0.00 46.19 45.67 3gxi s LEU 288 CO 0.34 0.09 2.08 -0.81 0.23 0.00 0.00 176.35 178.29 3gxi n PRO 289 N -0.19 0.65 -0.09 1.29 -0.04 -1.26 -4.65 135.00 130.70 3gxi n PRO 289 Ca -0.09 -0.04 -0.06 0.00 -0.04 0.00 0.00 63.50 63.27 3gxi n PRO 289 Cb 0.54 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.10 -0.41 -0.86 0.54 2.76 -1.92 -1.38 115.15 113.98 3gxi h HIS 290 Ca 0.00 0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.23 3gxi h HIS 290 Cb 0.21 0.23 -0.05 0.00 1.55 0.00 0.00 27.41 29.36 3gxi h HIS 290 CO 0.00 -0.24 0.56 -1.49 -1.30 0.00 0.00 177.93 175.46 3gxi h TRP 291 N -0.11 1.06 -0.49 5.26 4.06 -1.61 -1.50 115.95 122.62 3gxi h TRP 291 Ca 0.17 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.15 3gxi h TRP 291 Cb 0.38 -0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 28.16 3gxi h TRP 291 CO -0.38 0.64 0.31 0.00 -3.56 0.00 0.00 178.44 175.45 3gxi h ALA 292 N 1.34 0.63 -0.09 1.49 0.00 -1.55 -2.43 119.26 118.64 3gxi h ALA 292 Ca 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3gxi h ALA 292 Cb -0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3gxi h ALA 292 CO -0.10 0.09 0.05 0.87 0.00 0.00 0.00 179.25 180.17 3gxi h LYS 293 N 0.66 0.11 -0.07 0.00 1.57 -0.68 0.18 116.57 118.34 3gxi h LYS 293 Ca 0.18 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.98 3gxi h LYS 293 Cb -0.05 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3gxi h LYS 293 CO -0.04 0.07 -0.11 0.28 -0.57 0.00 0.00 179.45 179.09 3gxi h VAL 294 N 0.11 0.71 -0.01 0.50 2.07 -1.19 -1.01 116.25 117.43 3gxi h VAL 294 Ca 0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 3gxi h VAL 294 Cb -0.01 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3gxi h VAL 294 CO -0.02 0.00 -0.03 0.58 0.02 0.00 0.00 177.57 178.12 3gxi h VAL 295 N -0.15 1.47 0.00 2.57 2.07 -1.38 -3.38 116.25 117.45 3gxi h VAL 295 Ca 0.06 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.16 3gxi h VAL 295 Cb 0.24 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 3gxi h VAL 295 CO -0.16 0.37 -0.43 -0.07 0.02 0.00 0.00 177.57 177.31 3gxi h LEU 296 N -0.53 0.00 -0.58 2.57 3.38 -0.58 -3.04 115.31 116.53 3gxi h LEU 296 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3gxi h LEU 296 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3gxi h LEU 296 CO 0.01 0.01 0.00 0.35 0.09 0.00 0.00 178.44 178.90 3gxi n THR 297 N -2.80 0.20 -3.86 0.22 -2.24 -0.39 -4.55 114.28 100.86 3gxi n THR 297 Ca 0.03 -0.16 -0.35 0.00 -2.27 0.00 0.00 64.05 61.29 3gxi n THR 297 Cb 0.52 -0.02 -0.13 0.00 -2.10 0.00 0.00 70.33 68.60 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 -0.84 5.04 0.59 3.42 -1.08 -1.15 -5.03 116.67 117.62 3gxi s ASP 298 Ca 0.08 -1.47 0.30 0.00 -0.52 0.00 0.00 52.55 50.94 3gxi s ASP 298 Cb 0.04 -1.76 1.84 0.00 -1.46 0.00 0.00 42.92 41.58 3gxi s ASP 298 CO 0.05 -0.34 2.26 1.55 0.52 0.00 0.00 175.17 179.20 3gxi h PRO 299 N 8.03 0.00 0.00 4.34 0.13 -1.86 0.16 132.00 142.81 3gxi h PRO 299 Ca -0.19 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.86 3gxi h PRO 299 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 3gxi h PRO 299 CO 0.58 0.00 -0.37 0.93 -0.23 0.00 0.00 178.00 178.92 3gxi h GLU 300 N 0.00 0.00 0.02 0.86 4.39 -1.95 -2.33 114.58 115.57 3gxi h GLU 300 Ca -0.00 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 3gxi h GLU 300 Cb 0.01 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 3gxi h GLU 300 CO 0.00 0.37 -1.19 0.00 -1.16 0.00 0.00 179.01 177.03 3gxi h ALA 301 N 1.63 0.24 -1.01 3.43 0.00 -1.56 -3.40 119.26 118.60 3gxi h ALA 301 Ca -0.00 -1.14 0.23 0.00 0.00 0.00 0.00 54.91 54.00 3gxi h ALA 301 Cb 0.88 0.63 -0.12 0.00 0.00 0.00 0.00 17.79 19.18 3gxi h ALA 301 CO 0.05 0.68 0.60 0.00 0.00 0.00 0.00 179.25 180.59 3gxi h ALA 302 N -0.35 1.79 0.00 0.00 0.00 -0.75 0.11 119.26 120.06 3gxi h ALA 302 Ca -0.31 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3gxi h ALA 302 Cb 1.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3gxi h ALA 302 CO -0.14 -0.24 0.00 1.57 0.00 0.00 0.00 179.25 180.44 3gxi h LYS 303 N 0.61 0.00 0.00 0.00 2.10 -1.63 -2.52 116.57 115.13 3gxi h LYS 303 Ca 0.63 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.28 3gxi h LYS 303 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 3gxi h LYS 303 CO -0.44 0.00 -1.24 0.66 -2.00 0.00 0.00 179.45 176.43 3gxi n TYR 304 N -2.67 0.00 -3.30 0.07 0.53 0.02 -4.92 117.16 106.88 3gxi n TYR 304 Ca -0.01 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.48 3gxi n TYR 304 Cb 0.16 -0.13 -0.08 0.00 -1.03 0.00 0.00 39.34 38.25 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 -3.07 5.11 -0.02 -0.72 1.01 -0.95 -4.36 120.40 117.40 3gxi s VAL 305 Ca 0.04 0.72 0.12 0.00 0.00 0.00 0.00 61.98 62.85 3gxi s VAL 305 Cb 0.15 -3.78 -0.14 0.00 0.00 0.00 0.00 36.38 32.60 3gxi s VAL 305 CO 0.85 0.09 1.09 -0.74 0.00 0.00 0.00 175.10 176.39 3gxi h HIS 306 N 8.11 0.00 -2.44 5.22 2.76 -0.89 -3.49 115.15 124.42 3gxi h HIS 306 Ca -0.30 0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.03 3gxi h HIS 306 Cb 1.15 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.05 3gxi h HIS 306 CO 0.75 0.82 0.50 0.20 -1.30 0.00 0.00 177.93 178.90 3gxi s GLY 307 N -4.77 -0.09 -0.19 5.26 0.00 -1.14 -3.34 107.32 103.04 3gxi s GLY 307 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 44.72 44.64 3gxi s GLY 307 CO 0.80 0.64 -0.14 -0.42 0.00 0.00 0.00 173.10 173.98 3gxi s ILE 308 N -2.92 2.64 -0.05 0.90 1.01 0.12 -1.27 121.20 121.63 3gxi s ILE 308 Ca 0.15 -0.75 -0.17 0.00 0.00 0.00 0.00 60.65 59.88 3gxi s ILE 308 Cb -0.02 -2.14 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 3gxi s ILE 308 CO 0.04 0.50 0.46 0.00 0.00 0.00 0.00 174.94 175.93 3gxi s ALA 309 N 1.24 3.58 0.10 9.38 0.00 0.07 -1.00 121.76 135.13 3gxi s ALA 309 Ca 0.03 -0.18 0.08 0.00 0.00 0.00 0.00 51.96 51.89 3gxi s ALA 309 Cb -0.14 -2.54 -0.03 0.00 0.00 0.00 0.00 23.12 20.41 3gxi s ALA 309 CO -0.07 0.24 -0.20 0.14 0.00 0.00 0.00 175.76 175.88 3gxi s VAL 310 N -0.28 1.66 0.11 0.00 -7.23 0.36 -0.61 120.40 114.41 3gxi s VAL 310 Ca 0.25 -1.53 0.07 0.00 -1.81 0.00 0.00 61.98 58.96 3gxi s VAL 310 Cb -0.16 -1.52 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 3gxi s VAL 310 CO 0.12 -0.08 -0.10 -1.00 -0.31 0.00 0.00 175.10 173.73 3gxi s HIS 311 N -1.19 2.72 0.02 2.82 3.76 0.07 -1.01 115.29 122.49 3gxi s HIS 311 Ca 0.06 -0.16 0.03 0.00 -0.15 0.00 0.00 55.06 54.83 3gxi s HIS 311 Cb -0.10 -1.42 -0.01 0.00 1.11 0.00 0.00 32.58 32.15 3gxi s HIS 311 CO 0.04 0.43 -0.09 -0.46 -0.85 0.00 0.00 174.74 173.81 3gxi s TRP 312 N -1.22 0.79 -0.39 1.40 -0.00 -0.38 -3.43 118.94 115.72 3gxi s TRP 312 Ca 0.21 -0.27 -0.14 0.00 -0.00 0.00 0.00 56.10 55.90 3gxi s TRP 312 Cb -0.11 -0.49 0.01 0.00 -0.00 0.00 0.00 33.47 32.88 3gxi s TRP 312 CO 0.14 -0.02 0.28 0.71 -0.00 0.00 0.00 176.95 178.06 3gxi s TYR 313 N -0.63 3.24 -0.48 5.86 1.51 -1.26 -2.73 117.35 122.86 3gxi s TYR 313 Ca -0.01 -0.50 0.25 0.00 -1.01 0.00 0.00 57.07 55.81 3gxi s TYR 313 Cb -0.06 -2.56 0.97 0.00 -0.11 0.00 0.00 41.96 40.21 3gxi s TYR 313 CO 0.00 -0.53 1.75 -0.07 -1.11 0.00 0.00 175.55 175.59 3gxi h LEU 314 N 8.59 0.00 0.00 -1.29 3.38 -1.49 -2.46 115.31 122.04 3gxi h LEU 314 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3gxi h LEU 314 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3gxi h LEU 314 CO 0.70 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.70 3gxi n ASP 315 N -2.34 0.00 -4.65 -0.43 8.00 -1.26 -4.75 116.55 111.12 3gxi n ASP 315 Ca 0.03 -0.20 -0.25 0.00 0.71 0.00 0.00 54.79 55.09 3gxi n ASP 315 Cb 0.28 -0.22 -0.07 0.00 -0.02 0.00 0.00 41.12 41.08 3gxi n ASP 315 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3gxi s PHE 316 N -2.45 2.76 -0.49 1.24 0.40 -0.93 -4.94 117.98 113.57 3gxi s PHE 316 Ca 0.25 -0.19 0.03 0.00 -0.60 0.00 0.00 56.93 56.42 3gxi s PHE 316 Cb 0.16 -1.27 0.16 0.00 0.51 0.00 0.00 43.02 42.57 3gxi s PHE 316 CO 0.33 0.57 0.34 -0.48 0.70 0.00 0.00 175.22 176.68 3gxi s LEU 317 N -3.34 2.67 1.07 -0.37 0.05 -1.26 -4.93 118.68 112.57 3gxi s LEU 317 Ca 0.29 -3.08 -0.15 0.00 0.05 0.00 0.00 54.13 51.24 3gxi s LEU 317 Cb -0.08 -0.93 0.22 0.00 -2.05 0.00 0.00 46.19 43.35 3gxi s LEU 317 CO 0.19 -0.19 1.12 0.00 -0.55 0.00 0.00 176.35 176.93 3gxi s ALA 318 N -0.19 0.98 -0.22 1.48 0.00 -1.26 -5.06 121.76 117.50 3gxi s ALA 318 Ca 0.25 -0.68 0.06 0.00 0.00 0.00 0.00 51.96 51.60 3gxi s ALA 318 Cb -0.09 -2.99 -0.21 0.00 0.00 0.00 0.00 23.12 19.84 3gxi s ALA 318 CO -0.12 -3.06 -0.03 -0.35 0.00 0.00 0.00 175.76 172.20 3gxi n PRO 319 N -4.34 0.67 0.00 0.00 -0.04 -1.26 -5.04 135.00 124.99 3gxi n PRO 319 Ca 0.09 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 3gxi n PRO 319 Cb 0.59 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 3gxi n PRO 319 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gxi n ALA 320 N -3.05 0.00 -0.18 0.55 0.00 -1.26 -4.83 120.51 111.74 3gxi n ALA 320 Ca -0.39 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 52.97 3gxi n ALA 320 Cb 1.05 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.51 3gxi n ALA 320 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3gxi h LYS 321 N 0.00 0.74 0.00 0.00 3.64 -1.96 0.40 116.57 119.39 3gxi h LYS 321 Ca 0.00 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3gxi h LYS 321 Cb 0.00 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3gxi h LYS 321 CO 0.00 0.62 -0.01 0.00 -2.27 0.00 0.00 179.45 177.80 3gxi h ALA 322 N 1.08 1.09 -0.39 5.00 0.00 -1.96 -1.08 119.26 123.00 3gxi h ALA 322 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3gxi h ALA 322 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3gxi h ALA 322 CO -0.02 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.49 3gxi n THR 323 N -3.22 0.00 -0.11 0.00 -2.24 -0.92 -4.39 114.28 103.40 3gxi n THR 323 Ca -0.03 0.17 -0.10 0.00 -2.27 0.00 0.00 64.05 61.83 3gxi n THR 323 Cb 0.10 -1.13 -0.02 0.00 -2.10 0.00 0.00 70.33 67.18 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 0.00 0.47 -0.28 3.22 3.38 -0.38 -2.22 115.31 119.50 3gxi h LEU 324 Ca 0.00 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 3gxi h LEU 324 Cb 0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3gxi h LEU 324 CO 0.00 0.55 -0.08 1.23 0.09 0.00 0.00 178.44 180.23 3gxi h GLY 325 N 0.37 0.60 1.26 0.83 0.00 -0.98 -1.53 103.07 103.61 3gxi h GLY 325 Ca 0.11 -0.50 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 3gxi h GLY 325 CO -0.00 0.46 0.08 -2.09 0.00 0.00 0.00 176.54 174.98 3gxi h GLU 326 N 0.31 0.92 -0.54 4.80 4.57 -1.25 -1.55 114.58 121.83 3gxi h GLU 326 Ca 0.07 -0.23 -0.06 0.00 -1.18 0.00 0.00 59.36 57.96 3gxi h GLU 326 Cb 0.56 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 3gxi h GLU 326 CO 0.03 0.86 0.10 1.15 -1.18 0.00 0.00 179.01 179.96 3gxi h THR 327 N 0.86 1.25 -0.59 0.32 2.02 -1.24 -1.97 112.91 113.56 3gxi h THR 327 Ca 0.18 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.42 3gxi h THR 327 Cb 0.40 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 3gxi h THR 327 CO 0.01 0.34 0.39 -0.74 0.37 0.00 0.00 175.52 175.89 3gxi h HIS 328 N 0.78 0.75 -0.32 3.16 -0.00 -1.08 0.54 115.15 118.98 3gxi h HIS 328 Ca 0.17 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.59 3gxi h HIS 328 Cb 0.39 -0.25 -0.04 0.00 -0.00 0.00 0.00 27.41 27.51 3gxi h HIS 328 CO 0.03 0.48 0.07 -0.09 -0.00 0.00 0.00 177.93 178.42 3gxi h ARG 329 N 0.80 0.18 -0.46 5.26 2.43 -1.11 0.15 114.38 121.64 3gxi h ARG 329 Ca 0.22 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.26 3gxi h ARG 329 Cb -0.08 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 3gxi h ARG 329 CO -0.05 0.12 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.31 3gxi h LEU 330 N 0.19 0.93 -5.91 3.80 3.38 -1.21 -3.37 115.31 113.12 3gxi h LEU 330 Ca 0.15 -0.38 -0.54 0.00 0.09 0.00 0.00 57.88 57.20 3gxi h LEU 330 Cb 0.15 -0.25 -0.40 0.00 0.09 0.00 0.00 40.66 40.24 3gxi h LEU 330 CO -0.19 1.10 -0.99 0.49 0.09 0.00 0.00 178.44 178.94 3gxi n PHE 331 N -4.21 1.13 0.33 1.13 3.01 0.17 -4.95 117.46 114.07 3gxi n PHE 331 Ca -0.00 -3.81 0.22 0.00 1.01 0.00 0.00 57.45 54.86 3gxi n PHE 331 Cb 0.41 -0.43 1.16 0.00 -0.01 0.00 0.00 39.48 40.62 3gxi n PHE 331 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3gxi h PRO 332 N 3.49 0.00 -0.21 -1.08 0.13 -0.88 -1.85 132.00 131.62 3gxi h PRO 332 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3gxi h PRO 332 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3gxi h PRO 332 CO 0.59 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.45 3gxi n ASN 333 N -3.17 2.71 -4.25 1.44 3.02 -1.26 -4.73 115.26 109.02 3gxi n ASN 333 Ca -0.03 -1.88 -0.38 0.00 -0.03 0.00 0.00 54.58 52.26 3gxi n ASN 333 Cb 0.09 -0.13 -0.12 0.00 -0.61 0.00 0.00 39.78 39.02 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 -1.75 3.82 0.64 3.41 2.01 -0.70 -5.01 115.64 118.07 3gxi s THR 334 Ca 0.34 -1.31 -0.18 0.00 0.31 0.00 0.00 61.69 60.85 3gxi s THR 334 Cb 0.21 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.44 3gxi s THR 334 CO 0.30 -0.32 1.30 0.00 -0.69 0.00 0.00 174.62 175.21 3gxi s MET 335 N 1.38 2.58 -0.15 4.92 0.23 -1.21 -4.68 119.30 122.36 3gxi s MET 335 Ca 0.01 2.08 -0.05 0.00 -1.03 0.00 0.00 55.69 56.69 3gxi s MET 335 Cb -0.21 -1.86 -0.04 0.00 -1.53 0.00 0.00 34.83 31.19 3gxi s MET 335 CO 0.02 -1.58 0.03 -0.51 -2.03 0.00 0.00 175.02 170.95 3gxi s LEU 336 N -4.33 3.70 -0.02 0.18 1.43 -1.26 0.10 118.68 118.48 3gxi s LEU 336 Ca 0.82 0.09 0.01 0.00 -1.03 0.00 0.00 54.13 54.02 3gxi s LEU 336 Cb -0.38 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 43.96 3gxi s LEU 336 CO 0.40 0.24 -0.01 0.12 0.23 0.00 0.00 176.35 177.33 3gxi s PHE 337 N -0.06 0.35 -0.38 0.29 5.36 -0.17 0.14 117.98 123.52 3gxi s PHE 337 Ca 0.05 -0.04 -0.19 0.00 -0.96 0.00 0.00 56.93 55.80 3gxi s PHE 337 Cb -0.12 -0.36 0.01 0.00 -0.34 0.00 0.00 43.02 42.20 3gxi s PHE 337 CO 0.01 -0.09 0.55 0.00 -1.46 0.00 0.00 175.22 174.23 3gxi s ALA 338 N 0.65 3.44 -0.65 11.12 0.00 -0.20 -0.49 121.76 135.63 3gxi s ALA 338 Ca -0.07 -1.09 0.21 0.00 0.00 0.00 0.00 51.96 51.02 3gxi s ALA 338 Cb -0.10 -3.10 -0.25 0.00 0.00 0.00 0.00 23.12 19.67 3gxi s ALA 338 CO -0.01 -1.40 0.77 -1.13 0.00 0.00 0.00 175.76 173.99 3gxi n SER 339 N 5.88 0.63 -3.64 0.00 3.41 -0.18 -0.83 113.62 118.90 3gxi n SER 339 Ca -0.04 -0.61 -0.09 0.00 -0.26 0.00 0.00 58.87 57.87 3gxi n SER 339 Cb 0.48 1.33 -0.07 0.00 -0.26 0.00 0.00 64.21 65.69 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 0.68 0.02 4.33 2.12 -1.17 -4.67 118.70 116.82 3gxi s GLU 340 Ca 0.02 1.01 0.00 0.00 0.36 0.00 0.00 54.97 56.36 3gxi s GLU 340 Cb 0.15 0.23 -0.01 0.00 0.26 0.00 0.00 34.13 34.76 3gxi s GLU 340 CO 0.88 -0.11 -0.03 0.00 -0.54 0.00 0.00 175.26 175.46 3gxi s ALA 341 N 1.04 0.14 0.18 6.30 0.00 -0.99 -1.24 121.76 127.19 3gxi s ALA 341 Ca -0.05 -0.42 -0.19 0.00 0.00 0.00 0.00 51.96 51.30 3gxi s ALA 341 Cb -0.05 0.09 0.04 0.00 0.00 0.00 0.00 23.12 23.20 3gxi s ALA 341 CO -0.11 -0.09 0.55 0.00 0.00 0.00 0.00 175.76 176.10 3gxi s VAL 343 N -3.83 1.58 0.00 0.00 -7.23 -1.26 -1.03 120.40 108.63 3gxi s VAL 343 Ca 0.06 -1.14 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 3gxi s VAL 343 Cb -0.01 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.55 3gxi s VAL 343 CO -0.06 0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 3gxi n GLY 344 N 1.92 -0.42 7.00 2.32 0.00 -1.26 -1.96 105.19 112.78 3gxi n GLY 344 Ca -0.17 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3gxi n GLY 344 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gxi n SER 345 N -0.66 0.00 -2.71 1.61 7.64 -1.26 -4.29 113.62 113.95 3gxi n SER 345 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 3gxi n SER 345 Cb 0.20 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 3gxi n SER 345 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3gxi n LYS 346 N 10.70 -0.46 -2.23 1.43 5.02 -1.26 -4.72 118.16 126.63 3gxi n LYS 346 Ca 0.00 0.24 -0.43 0.00 -2.02 0.00 0.00 58.31 56.10 3gxi n LYS 346 Cb 0.00 -0.63 -0.02 0.00 -0.02 0.00 0.00 35.03 34.36 3gxi n LYS 346 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3gxi s PHE 347 N -2.02 2.34 0.00 2.13 0.08 -1.26 -0.97 117.98 118.29 3gxi s PHE 347 Ca 0.02 0.67 0.00 0.00 0.12 0.00 0.00 56.93 57.74 3gxi s PHE 347 Cb -0.00 -3.93 0.00 0.00 -0.57 0.00 0.00 43.02 38.52 3gxi s PHE 347 CO 0.26 -2.48 0.00 -2.67 -0.10 0.00 0.00 175.22 170.23 3gxi n TRP 348 N 8.02 0.00 -4.38 0.36 2.14 -1.26 -5.09 117.44 117.23 3gxi n TRP 348 Ca 0.17 0.00 -0.19 0.00 2.07 0.00 0.00 57.50 59.55 3gxi n TRP 348 Cb 0.46 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.85 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 0.00 1.43 1.18 -2.67 0.41 -0.14 -5.15 118.70 113.75 3gxi s GLU 349 Ca 0.00 -1.69 -0.13 0.00 -0.41 0.00 0.00 54.97 52.74 3gxi s GLU 349 Cb 0.00 -1.06 0.29 0.00 -1.78 0.00 0.00 34.13 31.58 3gxi s GLU 349 CO 0.00 0.08 1.02 -0.65 -0.49 0.00 0.00 175.26 175.22 3gxi s GLN 350 N -3.71 -1.04 0.01 1.61 -0.21 -1.26 -4.77 119.66 110.29 3gxi s GLN 350 Ca 0.26 0.76 -0.23 0.00 0.02 0.00 0.00 55.36 56.18 3gxi s GLN 350 Cb 0.02 -1.54 -0.17 0.00 1.00 0.00 0.00 33.01 32.31 3gxi s GLN 350 CO 0.09 -3.79 1.29 0.77 -2.12 0.00 0.00 175.29 171.53 3gxi h SER 351 N -2.66 0.24 -3.44 5.90 0.02 -1.85 -3.43 113.55 108.33 3gxi h SER 351 Ca -0.62 -0.51 -0.65 0.00 -0.84 0.00 0.00 61.79 59.16 3gxi h SER 351 Cb 1.34 -0.07 -0.25 0.00 0.14 0.00 0.00 62.40 63.56 3gxi h SER 351 CO 0.51 0.70 -0.69 -0.69 -1.14 0.00 0.00 176.83 175.52 3gxi s VAL 352 N -4.17 3.71 -0.53 2.27 1.01 -1.26 -1.84 120.40 119.59 3gxi s VAL 352 Ca -0.15 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.48 3gxi s VAL 352 Cb 0.04 -2.68 0.14 0.00 0.00 0.00 0.00 36.38 33.87 3gxi s VAL 352 CO 0.73 0.42 0.29 -0.13 0.00 0.00 0.00 175.10 176.41 3gxi s ARG 353 N 1.25 1.91 -0.21 2.72 0.52 -1.26 -5.01 118.95 118.86 3gxi s ARG 353 Ca 0.03 -2.62 -0.29 0.00 -0.52 0.00 0.00 55.73 52.33 3gxi s ARG 353 Cb -0.15 -3.12 -0.06 0.00 0.52 0.00 0.00 34.95 32.14 3gxi s ARG 353 CO 0.00 -1.15 2.19 1.28 0.02 0.00 0.00 175.30 177.64 3gxi n LEU 354 N 3.00 3.21 0.00 2.53 4.77 -1.26 -1.75 117.00 127.50 3gxi n LEU 354 Ca 0.08 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 3gxi n LEU 354 Cb 0.33 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 39.91 3gxi n LEU 354 CO 0.31 -0.59 0.00 0.61 -1.33 0.00 0.00 177.39 176.38 3gxi n GLY 355 N 5.71 0.93 3.59 -0.72 0.00 -1.26 -4.31 105.19 109.13 3gxi n GLY 355 Ca 0.30 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.05 5.56 0.30 1.61 0.15 -0.72 -0.70 113.70 117.85 3gxi s SER 356 Ca 0.00 1.49 0.05 0.00 0.70 0.00 0.00 55.95 58.19 3gxi s SER 356 Cb 0.00 -2.52 0.48 0.00 -1.71 0.00 0.00 66.02 62.27 3gxi s SER 356 CO 0.00 -1.94 1.73 -0.25 1.20 0.00 0.00 173.24 173.98 3gxi h TRP 357 N 14.44 0.38 -0.71 3.44 2.91 -1.91 -3.01 115.95 131.49 3gxi h TRP 357 Ca -0.36 -0.09 -0.01 0.00 1.13 0.00 0.00 58.89 59.56 3gxi h TRP 357 Cb 1.21 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 29.73 3gxi h TRP 357 CO 0.95 0.62 0.39 0.22 -1.03 0.00 0.00 178.44 179.59 3gxi h ASP 358 N 0.29 0.89 0.12 2.65 3.58 -1.98 -1.55 116.42 120.42 3gxi h ASP 358 Ca 0.04 -0.10 -0.12 0.00 0.42 0.00 0.00 57.03 57.27 3gxi h ASP 358 Cb 0.71 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 3gxi h ASP 358 CO 0.05 0.73 -0.41 0.03 -2.88 0.00 0.00 179.24 176.77 3gxi h ARG 359 N 0.98 0.38 -0.39 0.28 3.08 -1.96 -1.67 114.38 115.08 3gxi h ARG 359 Ca 0.25 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3gxi h ARG 359 Cb 0.04 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3gxi h ARG 359 CO -0.04 0.73 0.22 0.78 -1.07 0.00 0.00 179.97 180.59 3gxi h GLY 360 N 1.16 0.58 1.80 0.04 0.00 -1.33 -2.68 103.07 102.64 3gxi h GLY 360 Ca 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 3gxi h GLY 360 CO 0.07 0.25 0.07 -0.33 0.00 0.00 0.00 176.54 176.60 3gxi h MET 361 N 0.50 0.26 -0.64 4.80 2.86 -0.95 -1.55 114.93 120.23 3gxi h MET 361 Ca 0.14 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.66 3gxi h MET 361 Cb 0.04 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 3gxi h MET 361 CO -0.02 0.23 0.04 1.96 1.06 0.00 0.00 176.91 180.18 3gxi h GLN 362 N 0.27 1.09 0.59 1.72 4.20 -1.00 -0.63 115.11 121.35 3gxi h GLN 362 Ca 0.07 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.42 3gxi h GLN 362 Cb 0.07 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 27.75 3gxi h GLN 362 CO -0.01 1.04 -0.28 1.88 -0.67 0.00 0.00 178.83 180.79 3gxi h TYR 363 N 1.01 -0.73 -0.77 2.96 -1.99 -1.03 -1.55 116.97 114.86 3gxi h TYR 363 Ca 0.19 -0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.86 3gxi h TYR 363 Cb 0.52 0.24 -0.03 0.00 2.00 0.00 0.00 36.73 39.45 3gxi h TYR 363 CO 0.04 -0.41 0.34 0.66 -0.00 0.00 0.00 178.16 178.79 3gxi h SER 364 N -0.93 1.03 -0.45 3.88 4.64 -1.37 -0.60 113.55 119.75 3gxi h SER 364 Ca -0.08 -0.16 0.04 0.00 -0.47 0.00 0.00 61.79 61.12 3gxi h SER 364 Cb 0.65 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.43 3gxi h SER 364 CO 0.13 0.90 0.22 -0.74 -0.87 0.00 0.00 176.83 176.48 3gxi h HIS 365 N 1.10 0.41 -0.51 4.77 -0.00 -1.12 -1.20 115.15 118.60 3gxi h HIS 365 Ca 0.26 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.65 3gxi h HIS 365 Cb 0.17 -0.12 -0.03 0.00 -0.00 0.00 0.00 27.41 27.44 3gxi h HIS 365 CO 0.01 0.20 0.33 1.03 -0.00 0.00 0.00 177.93 179.51 3gxi h SER 366 N 0.44 0.59 -0.74 3.26 0.87 -0.91 -1.56 113.55 115.51 3gxi h SER 366 Ca 0.20 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 3gxi h SER 366 Cb 0.11 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 3gxi h SER 366 CO -0.14 0.44 0.28 0.40 -0.53 0.00 0.00 176.83 177.28 3gxi h ILE 367 N 0.69 1.25 0.03 2.23 2.04 -0.79 -0.38 117.51 122.58 3gxi h ILE 367 Ca 0.19 -0.82 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 3gxi h ILE 367 Cb -0.07 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 3gxi h ILE 367 CO -0.04 0.33 -0.02 0.40 0.00 0.00 0.00 178.15 178.82 3gxi h ILE 368 N 1.07 1.12 -0.57 -0.67 2.04 -0.97 -0.54 117.51 118.99 3gxi h ILE 368 Ca 0.24 -0.49 0.11 0.00 1.00 0.00 0.00 64.86 65.72 3gxi h ILE 368 Cb 0.23 1.45 -0.09 0.00 -0.74 0.00 0.00 36.82 37.68 3gxi h ILE 368 CO -0.02 0.13 0.05 0.74 0.00 0.00 0.00 178.15 179.05 3gxi h THR 369 N -0.26 0.59 0.06 -0.27 2.02 -1.16 0.28 112.91 114.16 3gxi h THR 369 Ca -0.00 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 3gxi h THR 369 Cb 0.24 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 3gxi h THR 369 CO 0.01 0.03 -0.04 0.78 0.37 0.00 0.00 175.52 176.67 3gxi h ASN 370 N 0.17 -0.09 0.04 4.18 2.35 -0.91 -1.68 115.58 119.65 3gxi h ASN 370 Ca 0.30 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.05 3gxi h ASN 370 Cb 0.45 0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 3gxi h ASN 370 CO -0.44 -0.06 -0.03 -0.07 -1.65 0.00 0.00 177.43 175.18 3gxi h LEU 371 N -0.09 0.00 -0.02 1.61 3.38 -0.45 -0.98 115.31 118.76 3gxi h LEU 371 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gxi h LEU 371 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3gxi h LEU 371 CO 0.00 0.03 -0.01 0.18 0.09 0.00 0.00 178.44 178.73 3gxi n LEU 372 N -4.20 0.04 -2.52 1.67 4.77 0.93 -3.56 117.00 114.12 3gxi n LEU 372 Ca -0.03 0.25 -0.13 0.00 -0.03 0.00 0.00 56.01 56.08 3gxi n LEU 372 Cb 0.11 -0.27 0.03 0.00 -2.33 0.00 0.00 43.42 40.96 3gxi n LEU 372 CO 0.32 0.01 0.05 -1.22 -1.33 0.00 0.00 177.39 175.21 3gxi n TYR 373 N -1.25 1.98 -0.36 -1.77 4.02 -0.42 -5.00 117.16 114.36 3gxi n TYR 373 Ca 0.15 -2.43 0.00 0.00 -0.01 0.00 0.00 57.90 55.60 3gxi n TYR 373 Cb 0.24 -0.27 0.00 0.00 -0.02 0.00 0.00 39.34 39.29 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 -0.51 0.00 -2.46 -0.72 8.25 -1.12 -4.62 115.22 114.04 3gxi n HIS 374 Ca 0.23 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.27 3gxi n HIS 374 Cb 0.83 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.90 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 -3.01 3.80 -1.45 1.59 1.01 -0.90 -4.51 120.40 116.93 3gxi s VAL 375 Ca 0.00 1.51 0.23 0.00 0.00 0.00 0.00 61.98 63.72 3gxi s VAL 375 Cb 0.00 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 3gxi s VAL 375 CO 0.00 0.24 1.19 1.33 0.00 0.00 0.00 175.10 177.86 3gxi n VAL 376 N 2.58 0.00 -3.48 2.92 0.24 0.12 -4.48 118.33 116.23 3gxi n VAL 376 Ca 0.04 -0.10 -0.10 0.00 -2.04 0.00 0.00 64.34 62.14 3gxi n VAL 376 Cb 0.46 0.81 -0.02 0.00 -1.47 0.00 0.00 33.84 33.61 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 -2.75 -0.52 -0.07 7.63 0.00 -1.26 0.12 107.32 110.47 3gxi s GLY 377 Ca 0.15 0.80 -0.03 0.00 0.00 0.00 0.00 44.72 45.64 3gxi s GLY 377 CO 0.68 0.27 0.14 0.86 0.00 0.00 0.00 173.10 175.05 3gxi s TRP 378 N -3.36 -0.16 -0.12 1.90 -0.00 -0.90 -1.03 118.94 115.26 3gxi s TRP 378 Ca 0.04 0.49 0.00 0.00 -0.00 0.00 0.00 56.10 56.63 3gxi s TRP 378 Cb -0.01 -0.10 0.02 0.00 -0.00 0.00 0.00 33.47 33.38 3gxi s TRP 378 CO -0.10 -0.17 -0.12 0.99 -0.00 0.00 0.00 176.95 177.54 3gxi s THR 379 N 1.27 1.33 0.91 5.86 2.01 -0.01 -2.52 115.64 124.50 3gxi s THR 379 Ca -0.08 -0.50 -0.12 0.00 0.31 0.00 0.00 61.69 61.30 3gxi s THR 379 Cb -0.12 -1.27 0.14 0.00 0.01 0.00 0.00 72.50 71.27 3gxi s THR 379 CO -0.06 0.41 1.09 -0.62 -0.69 0.00 0.00 174.62 174.76 3gxi s ASP 380 N 1.40 3.34 0.00 3.53 2.15 0.44 -2.36 116.67 125.18 3gxi s ASP 380 Ca 0.01 1.38 0.00 0.00 0.43 0.00 0.00 52.55 54.37 3gxi s ASP 380 Cb -0.13 -2.06 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 3gxi s ASP 380 CO -0.07 -2.71 0.00 1.87 -0.17 0.00 0.00 175.17 174.09 3gxi n TRP 381 N -3.92 0.00 -1.66 -5.34 -0.00 -0.96 -2.58 117.44 102.98 3gxi n TRP 381 Ca 0.07 0.00 -0.63 0.00 -0.00 0.00 0.00 57.50 56.94 3gxi n TRP 381 Cb 0.56 0.00 -0.09 0.00 -0.00 0.00 0.00 31.31 31.78 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 1.10 0.17 5.87 3.02 -1.26 -0.63 115.26 123.52 3gxi n ASN 382 Ca 0.00 1.16 0.12 0.00 -0.03 0.00 0.00 54.58 55.83 3gxi n ASN 382 Cb 0.00 -0.96 0.66 0.00 -0.61 0.00 0.00 39.78 38.87 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 4.77 0.00 -7.15 3.41 3.38 -1.71 -3.42 115.31 114.59 3gxi h LEU 383 Ca -0.47 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.43 3gxi h LEU 383 Cb 1.38 -0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.90 3gxi h LEU 383 CO 0.87 0.00 -0.04 0.00 0.09 0.00 0.00 178.44 179.36 3gxi s ALA 384 N -5.05 -1.42 0.24 1.53 0.00 -1.26 -3.98 121.76 111.81 3gxi s ALA 384 Ca -0.05 1.61 0.02 0.00 0.00 0.00 0.00 51.96 53.53 3gxi s ALA 384 Cb 0.18 -0.92 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 3gxi s ALA 384 CO 0.69 -0.27 0.06 -0.51 0.00 0.00 0.00 175.76 175.73 3gxi s LEU 385 N 0.27 1.84 0.87 0.00 1.43 -0.61 -3.68 118.68 118.80 3gxi s LEU 385 Ca -0.00 -1.31 -0.12 0.00 -1.03 0.00 0.00 54.13 51.67 3gxi s LEU 385 Cb -0.04 -0.04 0.15 0.00 0.03 0.00 0.00 46.19 46.29 3gxi s LEU 385 CO 0.01 -0.66 1.21 0.54 0.23 0.00 0.00 176.35 177.68 3gxi s ASN 386 N -3.28 3.77 0.54 2.29 2.20 -0.12 -0.82 114.94 119.50 3gxi s ASN 386 Ca 0.33 0.29 0.36 0.00 -0.94 0.00 0.00 52.86 52.90 3gxi s ASN 386 Cb 0.07 -0.54 1.89 0.00 -2.00 0.00 0.00 41.25 40.67 3gxi s ASN 386 CO 0.11 -2.31 2.10 -0.65 -2.94 0.00 0.00 177.10 173.41 3gxi h PRO 387 N -1.24 0.00 0.00 3.55 0.11 -1.90 0.98 132.00 133.50 3gxi h PRO 387 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3gxi h PRO 387 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3gxi h PRO 387 CO 0.46 0.00 -0.38 1.49 -0.21 0.00 0.00 178.00 179.37 3gxi h GLU 388 N 0.00 0.00 0.00 1.05 4.81 -1.95 -3.41 114.58 115.09 3gxi h GLU 388 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3gxi h GLU 388 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3gxi h GLU 388 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.69 3gxi n GLY 389 N 1.21 1.10 0.00 1.92 0.00 0.34 -4.54 105.19 105.21 3gxi n GLY 389 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.86 6.56 3.74 -0.02 0.00 -1.26 -3.26 105.19 109.10 3gxi n GLY 390 Ca 0.00 -1.74 -0.37 0.00 0.00 0.00 0.00 46.02 43.92 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 1.03 2.86 -0.16 1.61 0.04 -1.26 -0.95 135.00 138.16 3gxi s PRO 391 Ca 0.00 1.98 -0.04 0.00 0.04 0.00 0.00 61.00 62.97 3gxi s PRO 391 Cb 0.00 -1.96 0.08 0.00 0.04 0.00 0.00 34.50 32.66 3gxi s PRO 391 CO 0.00 -1.34 0.28 1.21 0.04 0.00 0.00 177.00 177.19 3gxi s ASN 392 N -1.42 0.52 0.31 6.66 3.84 -1.26 -4.45 114.94 119.14 3gxi s ASN 392 Ca 0.78 0.41 0.23 0.00 0.21 0.00 0.00 52.86 54.49 3gxi s ASN 392 Cb -0.35 0.72 1.13 0.00 -0.55 0.00 0.00 41.25 42.20 3gxi s ASN 392 CO 0.38 -0.26 1.71 4.11 -2.79 0.00 0.00 177.10 180.25 3gxi h TRP 393 N 8.28 0.00 -0.23 0.43 5.08 -0.80 0.12 115.95 128.82 3gxi h TRP 393 Ca -0.15 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.82 3gxi h TRP 393 Cb 1.13 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.29 3gxi h TRP 393 CO 0.29 0.00 0.00 1.55 -1.28 0.00 0.00 178.44 179.00 3gxi n VAL 394 N -2.30 0.79 -2.17 0.12 3.14 -1.26 -4.99 118.33 111.66 3gxi n VAL 394 Ca 0.00 -0.89 -0.21 0.00 -2.96 0.00 0.00 64.34 60.28 3gxi n VAL 394 Cb 0.13 0.65 -0.03 0.00 -1.06 0.00 0.00 33.84 33.53 3gxi n VAL 394 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3gxi n ARG 395 N 0.40 -1.62 -1.63 1.45 1.74 0.42 -4.88 116.66 112.53 3gxi n ARG 395 Ca 0.09 1.08 -0.38 0.00 -0.77 0.00 0.00 57.85 57.87 3gxi n ARG 395 Cb 0.36 -5.67 -0.02 0.00 -1.02 0.00 0.00 32.46 26.11 3gxi n ARG 395 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3gxi n ASN 396 N -1.83 8.24 -4.78 0.55 4.05 -1.26 -4.99 115.26 115.24 3gxi n ASN 396 Ca -0.24 -2.86 -0.34 0.00 0.45 0.00 0.00 54.58 51.59 3gxi n ASN 396 Cb 0.69 -1.45 0.01 0.00 1.23 0.00 0.00 39.78 40.27 3gxi n ASN 396 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 3gxi s PHE 397 N 0.39 2.70 0.34 1.20 0.08 -1.26 -5.02 117.98 116.41 3gxi s PHE 397 Ca 0.62 1.55 -0.04 0.00 0.12 0.00 0.00 56.93 59.17 3gxi s PHE 397 Cb 0.19 -3.21 0.01 0.00 -0.57 0.00 0.00 43.02 39.44 3gxi s PHE 397 CO -0.08 -1.52 0.50 0.14 -0.10 0.00 0.00 175.22 174.16 3gxi s VAL 398 N -2.02 0.00 0.65 -0.44 -7.23 -1.20 -4.52 120.40 105.63 3gxi s VAL 398 Ca 0.70 -1.54 -0.05 0.00 -1.81 0.00 0.00 61.98 59.27 3gxi s VAL 398 Cb -0.22 -2.64 0.04 0.00 0.56 0.00 0.00 36.38 34.12 3gxi s VAL 398 CO 0.32 0.00 0.95 -0.62 -0.31 0.00 0.00 175.10 175.43 3gxi s ASP 399 N -3.21 5.15 -0.01 4.85 -1.08 -0.77 -4.46 116.67 117.14 3gxi s ASP 399 Ca 0.29 0.50 -0.13 0.00 -0.52 0.00 0.00 52.55 52.68 3gxi s ASP 399 Cb -0.01 -1.30 0.02 0.00 -1.46 0.00 0.00 42.92 40.17 3gxi s ASP 399 CO 0.19 -1.35 0.28 -0.55 0.52 0.00 0.00 175.17 174.25 3gxi s SER 400 N -4.43 -0.15 0.55 -0.34 0.15 -1.26 -4.72 113.70 103.50 3gxi s SER 400 Ca 0.57 0.05 0.23 0.00 0.70 0.00 0.00 55.95 57.51 3gxi s SER 400 Cb -0.11 0.30 1.54 0.00 -1.71 0.00 0.00 66.02 66.05 3gxi s SER 400 CO 0.44 -0.42 2.20 -0.65 1.20 0.00 0.00 173.24 176.01 3gxi h PRO 401 N 4.02 0.00 -4.88 5.44 0.11 -1.82 -3.41 132.00 131.46 3gxi h PRO 401 Ca -0.30 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.20 3gxi h PRO 401 Cb 1.18 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.95 3gxi h PRO 401 CO 0.40 0.01 -0.84 0.42 -0.21 0.00 0.00 178.00 177.77 3gxi s ILE 402 N -4.81 1.64 -0.17 4.15 1.01 -1.26 -0.51 121.20 121.26 3gxi s ILE 402 Ca -0.05 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.87 3gxi s ILE 402 Cb 0.16 -1.48 0.01 0.00 0.01 0.00 0.00 42.46 41.16 3gxi s ILE 402 CO 0.61 0.47 -0.18 -0.63 0.00 0.00 0.00 174.94 175.21 3gxi s ILE 403 N 0.89 2.31 -0.15 2.92 -1.09 -0.39 -1.57 121.20 124.11 3gxi s ILE 403 Ca -0.08 -0.87 -0.14 0.00 -2.23 0.00 0.00 60.65 57.34 3gxi s ILE 403 Cb -0.15 -1.97 -0.05 0.00 -1.58 0.00 0.00 42.46 38.71 3gxi s ILE 403 CO -0.01 0.52 0.30 -0.69 -1.23 0.00 0.00 174.94 173.83 3gxi s VAL 404 N 1.16 5.30 -0.48 2.92 1.01 -0.00 -0.34 120.40 129.96 3gxi s VAL 404 Ca 0.02 0.56 -0.02 0.00 0.00 0.00 0.00 61.98 62.53 3gxi s VAL 404 Cb -0.14 -3.63 0.13 0.00 0.00 0.00 0.00 36.38 32.74 3gxi s VAL 404 CO -0.08 0.40 0.28 -0.62 0.00 0.00 0.00 175.10 175.08 3gxi s ASP 405 N 0.39 5.17 0.21 3.32 -1.08 0.71 -3.90 116.67 121.49 3gxi s ASP 405 Ca 0.17 -2.38 -0.08 0.00 -0.52 0.00 0.00 52.55 49.74 3gxi s ASP 405 Cb -0.13 -1.82 0.14 0.00 -1.46 0.00 0.00 42.92 39.65 3gxi s ASP 405 CO 0.04 -0.46 1.74 0.40 0.52 0.00 0.00 175.17 177.42 3gxi h ILE 406 N 5.96 1.26 0.00 4.11 2.04 -1.92 -1.99 117.51 126.96 3gxi h ILE 406 Ca -0.08 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 3gxi h ILE 406 Cb 1.00 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 3gxi h ILE 406 CO 0.69 0.36 -0.09 0.71 0.00 0.00 0.00 178.15 179.83 3gxi h THR 407 N 1.12 0.73 -0.44 -0.27 1.35 -1.94 -1.64 112.91 111.82 3gxi h THR 407 Ca 0.24 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 3gxi h THR 407 Cb 0.31 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 3gxi h THR 407 CO -0.01 0.09 0.00 0.29 -0.25 0.00 0.00 175.52 175.64 3gxi n LYS 408 N -3.94 2.51 -4.29 4.72 5.02 -0.80 -4.96 118.16 116.41 3gxi n LYS 408 Ca -0.02 -2.20 -0.34 0.00 -2.02 0.00 0.00 58.31 53.73 3gxi n LYS 408 Cb 0.18 -1.41 -0.07 0.00 -0.02 0.00 0.00 35.03 33.72 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 1.09 -0.86 -4.18 4.39 2.03 -0.62 -4.96 116.55 113.44 3gxi n ASP 409 Ca 0.17 -1.17 -0.11 0.00 0.52 0.00 0.00 54.79 54.19 3gxi n ASP 409 Cb 0.51 -2.10 -0.10 0.00 -0.72 0.00 0.00 41.12 38.71 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 -3.79 0.79 0.03 5.18 -4.23 -0.92 -4.04 115.64 108.65 3gxi s THR 410 Ca 0.37 -1.94 0.02 0.00 -1.18 0.00 0.00 61.69 58.96 3gxi s THR 410 Cb -0.21 -1.69 -0.02 0.00 1.34 0.00 0.00 72.50 71.92 3gxi s THR 410 CO 0.97 -0.84 -0.08 0.72 -0.54 0.00 0.00 174.62 174.86 3gxi s PHE 411 N -3.51 0.68 -0.24 3.99 -0.12 0.08 -0.21 117.98 118.65 3gxi s PHE 411 Ca 0.12 -0.36 -0.06 0.00 -0.05 0.00 0.00 56.93 56.58 3gxi s PHE 411 Cb 0.04 -0.41 -0.02 0.00 -0.63 0.00 0.00 43.02 42.00 3gxi s PHE 411 CO -0.04 -0.05 0.03 0.71 -0.05 0.00 0.00 175.22 175.82 3gxi s TYR 412 N -0.95 3.04 -0.38 3.49 1.51 0.53 -0.25 117.35 124.34 3gxi s TYR 412 Ca -0.05 -0.62 -0.26 0.00 -1.01 0.00 0.00 57.07 55.13 3gxi s TYR 412 Cb -0.07 -2.18 0.02 0.00 -0.11 0.00 0.00 41.96 39.61 3gxi s TYR 412 CO 0.00 -0.43 0.95 0.15 -1.11 0.00 0.00 175.55 175.12 3gxi s LYS 413 N 1.55 3.82 0.68 -0.62 1.02 0.16 -1.26 119.74 125.09 3gxi s LYS 413 Ca 0.06 0.58 -0.11 0.00 0.02 0.00 0.00 55.97 56.52 3gxi s LYS 413 Cb -0.15 -3.82 -0.00 0.00 -0.52 0.00 0.00 37.83 33.34 3gxi s LYS 413 CO 0.01 -1.00 1.06 -0.65 -0.92 0.00 0.00 175.35 173.84 3gxi s GLN 414 N 3.59 3.09 0.37 1.68 -1.52 0.34 -1.54 119.66 125.66 3gxi s GLN 414 Ca 0.39 0.74 0.17 0.00 -1.95 0.00 0.00 55.36 54.71 3gxi s GLN 414 Cb -0.11 -2.02 1.10 0.00 -0.22 0.00 0.00 33.01 31.75 3gxi s GLN 414 CO 0.20 -0.94 1.70 -1.35 -0.25 0.00 0.00 175.29 174.66 3gxi h PRO 415 N -0.59 0.36 -0.89 2.91 0.11 -1.81 -1.15 132.00 130.94 3gxi h PRO 415 Ca -0.44 -0.02 0.19 0.00 0.11 0.00 0.00 66.00 65.83 3gxi h PRO 415 Cb 1.22 -0.08 -0.11 0.00 0.11 0.00 0.00 31.00 32.14 3gxi h PRO 415 CO 0.61 0.24 0.44 0.52 -0.21 0.00 0.00 178.00 179.59 3gxi h MET 416 N 0.37 0.52 -0.40 1.05 2.86 -1.86 -0.03 114.93 117.44 3gxi h MET 416 Ca 0.69 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 58.34 3gxi h MET 416 Cb 1.65 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 33.16 3gxi h MET 416 CO -0.45 0.35 0.16 0.35 1.06 0.00 0.00 176.91 178.37 3gxi h PHE 417 N 0.54 0.28 -0.24 -0.22 3.57 -1.39 -0.42 116.94 119.05 3gxi h PHE 417 Ca 0.52 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.93 3gxi h PHE 417 Cb 0.88 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 3gxi h PHE 417 CO -0.10 0.12 -0.28 1.88 -2.23 0.00 0.00 178.31 177.71 3gxi h TYR 418 N 0.33 0.75 -0.90 0.41 -1.99 -1.48 -0.88 116.97 113.21 3gxi h TYR 418 Ca 0.18 -0.23 0.02 0.00 2.00 0.00 0.00 58.73 60.69 3gxi h TYR 418 Cb 0.14 -0.15 -0.05 0.00 2.00 0.00 0.00 36.73 38.67 3gxi h TYR 418 CO -0.14 0.96 0.59 0.45 -0.00 0.00 0.00 178.16 180.02 3gxi h HIS 419 N 0.33 1.11 -0.26 4.88 3.86 -0.84 0.08 115.15 124.30 3gxi h HIS 419 Ca 0.03 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 3gxi h HIS 419 Cb 0.85 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 3gxi h HIS 419 CO 0.08 0.68 0.13 -0.07 0.86 0.00 0.00 177.93 179.61 3gxi h LEU 420 N 1.18 0.33 -1.65 2.43 3.38 -1.05 -3.15 115.31 116.79 3gxi h LEU 420 Ca 0.34 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 3gxi h LEU 420 Cb -0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3gxi h LEU 420 CO -0.09 0.35 -0.06 1.23 0.09 0.00 0.00 178.44 179.96 3gxi h GLY 421 N 0.30 0.16 1.50 0.83 0.00 -0.59 -0.61 103.07 104.65 3gxi h GLY 421 Ca 0.09 -0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.35 3gxi h GLY 421 CO -0.01 0.08 0.24 0.45 0.00 0.00 0.00 176.54 177.29 3gxi h HIS 422 N 0.15 0.00 0.00 5.60 3.86 -0.95 -2.18 115.15 121.62 3gxi h HIS 422 Ca 0.03 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.11 3gxi h HIS 422 Cb 0.20 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 3gxi h HIS 422 CO 0.00 0.00 -1.40 1.19 0.86 0.00 0.00 177.93 178.58 3gxi n PHE 423 N -3.08 0.00 -0.04 2.45 3.01 -0.65 -4.60 117.46 114.54 3gxi n PHE 423 Ca -0.01 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.47 3gxi n PHE 423 Cb 0.31 -0.60 0.37 0.00 -0.01 0.00 0.00 39.48 39.55 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 -0.92 0.55 0.85 4.37 4.64 -1.09 -1.95 113.55 119.99 3gxi h SER 424 Ca -0.21 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.01 3gxi h SER 424 Cb 1.12 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 3gxi h SER 424 CO -0.13 0.43 -0.36 0.50 -0.87 0.00 0.00 176.83 176.40 3gxi h LYS 425 N 0.63 0.00 -0.01 4.77 3.64 -1.12 -3.35 116.57 121.13 3gxi h LYS 425 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3gxi h LYS 425 Cb -0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3gxi h LYS 425 CO -0.03 0.36 0.00 1.19 -2.27 0.00 0.00 179.45 178.70 3gxi n PHE 426 N -3.53 0.02 -3.50 1.91 0.99 -0.79 -4.81 117.46 107.74 3gxi n PHE 426 Ca -0.00 -0.25 -0.28 0.00 -0.00 0.00 0.00 57.45 56.92 3gxi n PHE 426 Cb 0.50 -0.02 -0.11 0.00 -1.00 0.00 0.00 39.48 38.85 3gxi n PHE 426 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3gxi s ILE 427 N -0.53 0.76 0.75 4.37 1.01 -0.85 -4.92 121.20 121.80 3gxi s ILE 427 Ca 0.01 -2.73 -0.12 0.00 0.00 0.00 0.00 60.65 57.81 3gxi s ILE 427 Cb 0.01 -1.53 0.05 0.00 0.01 0.00 0.00 42.46 40.99 3gxi s ILE 427 CO 0.01 -1.14 1.10 -2.16 0.00 0.00 0.00 174.94 172.75 3gxi s PRO 428 N 0.02 2.35 0.21 2.79 0.04 -1.26 -4.84 135.00 134.30 3gxi s PRO 428 Ca 0.28 1.24 -0.31 0.00 0.04 0.00 0.00 61.00 62.25 3gxi s PRO 428 Cb -0.04 -1.90 -0.15 0.00 0.04 0.00 0.00 34.50 32.45 3gxi s PRO 428 CO -0.15 -1.58 1.14 -1.91 0.04 0.00 0.00 177.00 174.54 3gxi n GLU 429 N -3.27 1.29 0.00 4.56 2.13 -1.26 -1.57 120.64 122.52 3gxi n GLU 429 Ca 0.10 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.37 3gxi n GLU 429 Cb 0.53 -1.93 0.00 0.00 0.27 0.00 0.00 31.44 30.31 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 1.81 3.40 3.76 8.31 0.00 -0.44 -4.81 105.19 117.23 3gxi n GLY 430 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 3gxi n GLY 430 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gxi s SER 431 N -1.04 5.72 -0.10 1.61 0.01 -0.61 -4.39 113.70 114.91 3gxi s SER 431 Ca 0.00 2.78 0.04 0.00 1.31 0.00 0.00 55.95 60.08 3gxi s SER 431 Cb 0.00 -2.64 -0.01 0.00 0.21 0.00 0.00 66.02 63.58 3gxi s SER 431 CO 0.00 -1.26 -0.22 -1.58 0.41 0.00 0.00 173.24 170.59 3gxi s GLN 432 N -2.61 3.00 0.34 12.44 0.74 0.38 0.33 119.66 134.28 3gxi s GLN 432 Ca 0.65 -0.85 -0.28 0.00 0.05 0.00 0.00 55.36 54.93 3gxi s GLN 432 Cb -0.41 -2.34 -0.10 0.00 1.10 0.00 0.00 33.01 31.27 3gxi s GLN 432 CO 0.50 0.24 1.23 0.50 -0.55 0.00 0.00 175.29 177.21 3gxi s ARG 433 N 0.22 4.32 0.34 1.67 3.00 -0.34 -0.19 118.95 127.96 3gxi s ARG 433 Ca -0.14 2.03 0.03 0.00 -1.00 0.00 0.00 55.73 56.66 3gxi s ARG 433 Cb -0.17 -2.98 -0.04 0.00 0.00 0.00 0.00 34.95 31.76 3gxi s ARG 433 CO 0.07 -0.15 0.10 0.14 0.00 0.00 0.00 175.30 175.46 3gxi s VAL 434 N -1.22 0.75 0.66 7.11 -7.23 -0.26 -0.57 120.40 119.64 3gxi s VAL 434 Ca 0.50 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.52 3gxi s VAL 434 Cb -0.36 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.01 3gxi s VAL 434 CO 0.47 0.00 1.15 -0.83 -0.31 0.00 0.00 175.10 175.57 3gxi s GLY 435 N -3.48 2.31 -0.29 2.32 0.00 -0.68 -4.33 107.32 103.17 3gxi s GLY 435 Ca 0.33 0.71 0.03 0.00 0.00 0.00 0.00 44.72 45.78 3gxi s GLY 435 CO 0.15 1.08 0.51 -2.27 0.00 0.00 0.00 173.10 172.56 3gxi s LEU 436 N -4.77 -1.21 -0.12 0.66 2.96 -1.25 -0.94 118.68 114.01 3gxi s LEU 436 Ca 0.70 0.07 -0.13 0.00 -0.22 0.00 0.00 54.13 54.56 3gxi s LEU 436 Cb -0.24 1.63 -0.05 0.00 0.50 0.00 0.00 46.19 48.04 3gxi s LEU 436 CO 0.40 -0.31 0.28 -0.69 -1.32 0.00 0.00 176.35 174.71 3gxi s VAL 437 N 2.70 5.29 0.07 1.68 1.01 -0.58 -4.84 120.40 125.73 3gxi s VAL 437 Ca 0.11 0.53 -0.21 0.00 0.00 0.00 0.00 61.98 62.42 3gxi s VAL 437 Cb -0.12 -3.60 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 3gxi s VAL 437 CO -0.26 0.48 0.61 0.00 0.00 0.00 0.00 175.10 175.93 3gxi s ALA 438 N -0.17 3.54 -0.05 5.51 0.00 -1.26 -0.87 121.76 128.46 3gxi s ALA 438 Ca 0.17 0.08 0.23 0.00 0.00 0.00 0.00 51.96 52.45 3gxi s ALA 438 Cb -0.14 -2.71 0.67 0.00 0.00 0.00 0.00 23.12 20.94 3gxi s ALA 438 CO 0.06 0.32 1.72 0.66 0.00 0.00 0.00 175.76 178.52 3gxi h SER 439 N 4.79 0.00 -5.08 0.00 4.64 -1.31 -3.45 113.55 113.13 3gxi h SER 439 Ca -0.48 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.76 3gxi h SER 439 Cb 1.21 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.15 3gxi h SER 439 CO 0.65 0.21 -0.23 0.00 -0.87 0.00 0.00 176.83 176.60 3gxi s GLN 440 N -3.41 0.89 0.36 4.77 -2.07 -1.26 -4.98 119.66 113.96 3gxi s GLN 440 Ca 0.03 -0.66 -0.28 0.00 -1.82 0.00 0.00 55.36 52.63 3gxi s GLN 440 Cb 0.08 0.38 -0.12 0.00 -1.09 0.00 0.00 33.01 32.27 3gxi s GLN 440 CO 0.66 -0.30 1.40 1.17 -1.32 0.00 0.00 175.29 176.89 3gxi n LYS 441 N 0.21 2.43 -3.91 9.60 4.81 -1.26 -4.98 118.16 125.06 3gxi n LYS 441 Ca -0.17 0.85 -0.08 0.00 -0.87 0.00 0.00 58.31 58.04 3gxi n LYS 441 Cb 0.61 -2.52 -0.04 0.00 0.02 0.00 0.00 35.03 33.11 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 -0.20 -0.18 -0.02 3.14 2.20 -1.26 -5.06 114.94 113.57 3gxi s ASN 442 Ca 0.54 -0.75 0.20 0.00 -0.94 0.00 0.00 52.86 51.91 3gxi s ASN 442 Cb -0.52 0.64 0.59 0.00 -2.00 0.00 0.00 41.25 39.96 3gxi s ASN 442 CO 0.63 -1.21 1.49 0.47 -2.94 0.00 0.00 177.10 175.54 3gxi n ASP 443 N -0.41 3.64 -4.86 3.54 8.00 -1.26 -4.96 116.55 120.24 3gxi n ASP 443 Ca -0.04 -2.06 -0.32 0.00 0.71 0.00 0.00 54.79 53.08 3gxi n ASP 443 Cb 0.61 -0.46 -0.06 0.00 -0.02 0.00 0.00 41.12 41.19 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 -1.11 4.12 -0.19 0.64 1.43 -1.26 -4.55 118.68 117.75 3gxi s LEU 444 Ca 0.44 1.10 -0.06 0.00 -1.03 0.00 0.00 54.13 54.59 3gxi s LEU 444 Cb 0.24 -3.88 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 3gxi s LEU 444 CO 0.29 -0.14 0.02 -1.81 0.23 0.00 0.00 176.35 174.94 3gxi s ASP 445 N -2.31 5.14 0.01 2.29 1.01 -0.68 -4.98 116.67 117.15 3gxi s ASP 445 Ca 0.51 -0.09 -0.05 0.00 0.71 0.00 0.00 52.55 53.62 3gxi s ASP 445 Cb -0.11 -1.88 -0.00 0.00 1.01 0.00 0.00 42.92 41.94 3gxi s ASP 445 CO 0.19 0.11 0.09 0.00 0.21 0.00 0.00 175.17 175.77 3gxi s ALA 446 N 0.74 -0.21 -0.07 5.23 0.00 -1.26 -0.33 121.76 125.86 3gxi s ALA 446 Ca 0.01 -0.24 -0.12 0.00 0.00 0.00 0.00 51.96 51.61 3gxi s ALA 446 Cb -0.14 0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.12 3gxi s ALA 446 CO 0.02 -0.19 0.31 0.54 0.00 0.00 0.00 175.76 176.44 3gxi s VAL 447 N -1.35 0.03 -0.03 0.00 0.11 -0.42 -4.98 120.40 113.76 3gxi s VAL 447 Ca -0.14 -0.21 0.07 0.00 -2.93 0.00 0.00 61.98 58.76 3gxi s VAL 447 Cb -0.08 -0.51 -0.01 0.00 -1.53 0.00 0.00 36.38 34.25 3gxi s VAL 447 CO 0.01 -0.12 -0.23 0.00 -3.33 0.00 0.00 175.10 171.43 3gxi s ALA 448 N -0.46 1.94 0.06 1.54 0.00 -1.26 -1.38 121.76 122.20 3gxi s ALA 448 Ca -0.06 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 3gxi s ALA 448 Cb -0.04 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 3gxi s ALA 448 CO 0.02 0.44 0.03 -0.51 0.00 0.00 0.00 175.76 175.74 3gxi s LEU 449 N -0.41 2.20 -0.12 0.00 1.02 0.11 -1.10 118.68 120.37 3gxi s LEU 449 Ca 0.05 -0.86 0.00 0.00 0.02 0.00 0.00 54.13 53.34 3gxi s LEU 449 Cb -0.10 0.40 -0.02 0.00 0.02 0.00 0.00 46.19 46.49 3gxi s LEU 449 CO 0.00 -0.60 -0.13 -0.04 0.02 0.00 0.00 176.35 175.60 3gxi s MET 450 N -3.67 3.33 0.79 1.70 -1.94 0.73 -1.31 119.30 118.93 3gxi s MET 450 Ca 0.04 -0.68 -0.13 0.00 -1.71 0.00 0.00 55.69 53.21 3gxi s MET 450 Cb 0.06 -2.62 0.08 0.00 2.01 0.00 0.00 34.83 34.36 3gxi s MET 450 CO -0.09 0.24 1.19 -1.01 -0.01 0.00 0.00 175.02 175.34 3gxi s HIS 451 N 0.27 1.92 0.29 -0.03 3.76 0.31 -0.47 115.29 121.34 3gxi s HIS 451 Ca -0.09 1.66 0.04 0.00 -0.15 0.00 0.00 55.06 56.51 3gxi s HIS 451 Cb -0.16 -3.42 0.72 0.00 1.11 0.00 0.00 32.58 30.84 3gxi s HIS 451 CO 0.05 -2.67 1.70 -1.35 -0.85 0.00 0.00 174.74 171.63 3gxi h PRO 452 N -0.86 0.41 0.00 8.40 0.11 -1.87 -0.34 132.00 137.84 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 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3gxi h PRO 452 CO 0.47 0.27 0.00 -0.40 -0.21 0.00 0.00 178.00 178.13 3gxi n ASP 453 N -5.02 0.00 0.00 -2.05 5.68 -1.26 -4.87 116.55 109.03 3gxi n ASP 453 Ca 0.22 -0.46 0.00 0.00 -0.50 0.00 0.00 54.79 54.04 3gxi n ASP 453 Cb 0.64 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 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 -0.00 1.06 3.84 6.12 0.00 -0.14 -5.06 105.19 111.01 3gxi n GLY 454 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.85 5.06 0.09 1.61 1.04 -1.26 -4.62 113.70 113.77 3gxi s SER 455 Ca 0.00 1.31 0.04 0.00 0.48 0.00 0.00 55.95 57.79 3gxi s SER 455 Cb 0.00 -2.11 -0.04 0.00 0.10 0.00 0.00 66.02 63.97 3gxi s SER 455 CO 0.00 -1.61 0.03 0.00 0.98 0.00 0.00 173.24 172.64 3gxi s ALA 456 N -3.20 3.38 -0.01 5.32 0.00 0.16 -0.53 121.76 126.87 3gxi s ALA 456 Ca 0.59 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.45 3gxi s ALA 456 Cb -0.13 -1.26 0.02 0.00 0.00 0.00 0.00 23.12 21.75 3gxi s ALA 456 CO 0.54 0.70 0.02 0.54 0.00 0.00 0.00 175.76 177.56 3gxi s VAL 457 N -1.36 -0.03 -0.06 0.00 0.11 -0.43 -2.29 120.40 116.34 3gxi s VAL 457 Ca 0.27 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.46 3gxi s VAL 457 Cb -0.12 -0.06 0.02 0.00 -1.53 0.00 0.00 36.38 34.70 3gxi s VAL 457 CO 0.20 0.06 -0.04 -0.69 -3.33 0.00 0.00 175.10 171.29 3gxi s VAL 458 N 0.67 0.60 -0.12 2.04 1.01 -0.19 -0.72 120.40 123.70 3gxi s VAL 458 Ca -0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 3gxi s VAL 458 Cb -0.08 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 3gxi s VAL 458 CO -0.02 0.26 0.01 -0.69 0.00 0.00 0.00 175.10 174.66 3gxi s VAL 459 N 1.27 4.32 -0.10 2.92 1.01 -0.48 -0.90 120.40 128.44 3gxi s VAL 459 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3gxi s VAL 459 Cb -0.14 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.41 3gxi s VAL 459 CO -0.02 0.56 -0.09 -0.69 0.00 0.00 0.00 175.10 174.86 3gxi s VAL 460 N -0.40 1.04 -0.10 2.92 1.01 -0.56 -1.30 120.40 123.02 3gxi s VAL 460 Ca 0.08 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.74 3gxi s VAL 460 Cb -0.12 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 3gxi s VAL 460 CO 0.02 0.36 -0.11 -0.22 0.00 0.00 0.00 175.10 175.15 3gxi s LEU 461 N 1.47 2.87 -0.34 3.92 2.96 0.55 -1.13 118.68 128.98 3gxi s LEU 461 Ca 0.01 -0.21 -0.00 0.00 -0.22 0.00 0.00 54.13 53.70 3gxi s LEU 461 Cb -0.13 -1.63 0.08 0.00 0.50 0.00 0.00 46.19 45.01 3gxi s LEU 461 CO -0.06 0.25 0.07 0.21 -1.32 0.00 0.00 176.35 175.51 3gxi s ASN 462 N -0.15 4.95 0.00 3.68 3.84 -0.17 -1.69 114.94 125.40 3gxi s ASN 462 Ca 0.00 -1.74 0.27 0.00 0.21 0.00 0.00 52.86 51.61 3gxi s ASN 462 Cb -0.13 -1.72 1.03 0.00 -0.55 0.00 0.00 41.25 39.87 3gxi s ASN 462 CO 0.03 -0.38 1.73 0.54 -2.79 0.00 0.00 177.10 176.23 3gxi n ARG 463 N 4.51 1.66 -3.27 0.43 1.74 -1.26 -1.60 116.66 118.88 3gxi n ARG 463 Ca -0.06 -0.96 -0.23 0.00 -0.77 0.00 0.00 57.85 55.83 3gxi n ARG 463 Cb 0.42 -1.47 -0.00 0.00 -1.02 0.00 0.00 32.46 30.39 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 -1.94 6.13 0.02 0.55 1.04 -1.26 -4.76 113.70 113.48 3gxi s SER 464 Ca 0.37 0.36 0.22 0.00 0.48 0.00 0.00 55.95 57.38 3gxi s SER 464 Cb 0.21 -1.83 0.92 0.00 0.10 0.00 0.00 66.02 65.42 3gxi s SER 464 CO 0.33 -0.43 1.69 -1.54 0.98 0.00 0.00 173.24 174.27 3gxi n SER 465 N -1.87 0.05 -4.74 7.02 3.41 -1.26 -1.40 113.62 114.83 3gxi n SER 465 Ca -0.03 0.51 -0.36 0.00 -0.26 0.00 0.00 58.87 58.73 3gxi n SER 465 Cb 0.57 -0.52 -0.07 0.00 -0.26 0.00 0.00 64.21 63.93 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 -3.01 4.18 0.35 4.33 1.02 -1.26 -4.38 119.74 120.97 3gxi s LYS 466 Ca 0.10 0.00 -0.29 0.00 0.02 0.00 0.00 55.97 55.81 3gxi s LYS 466 Cb 0.14 -3.40 -0.11 0.00 -0.52 0.00 0.00 37.83 33.93 3gxi s LYS 466 CO 0.40 0.30 1.50 -0.51 -0.92 0.00 0.00 175.35 176.12 3gxi s ASP 467 N 0.31 6.39 -0.22 2.83 1.11 -1.26 -3.64 116.67 122.19 3gxi s ASP 467 Ca 0.14 2.99 0.01 0.00 0.18 0.00 0.00 52.55 55.87 3gxi s ASP 467 Cb -0.12 -2.66 0.05 0.00 1.07 0.00 0.00 42.92 41.26 3gxi s ASP 467 CO 0.02 -0.86 -0.08 -0.69 1.18 0.00 0.00 175.17 174.75 3gxi s VAL 468 N -0.77 1.62 0.47 -1.27 1.01 0.33 -4.88 120.40 116.90 3gxi s VAL 468 Ca 0.56 -1.15 -0.23 0.00 0.00 0.00 0.00 61.98 61.16 3gxi s VAL 468 Cb -0.46 -1.79 -0.07 0.00 0.00 0.00 0.00 36.38 34.06 3gxi s VAL 468 CO 0.58 0.03 1.24 -2.84 0.00 0.00 0.00 175.10 174.11 3gxi s PRO 469 N 1.38 3.66 -0.19 2.72 0.02 -1.26 0.23 135.00 141.56 3gxi s PRO 469 Ca -0.04 1.97 -0.16 0.00 0.02 0.00 0.00 61.00 62.79 3gxi s PRO 469 Cb -0.18 -2.45 0.05 0.00 0.02 0.00 0.00 34.50 31.94 3gxi s PRO 469 CO -0.07 -0.69 0.50 -1.17 -0.33 0.00 0.00 177.00 175.24 3gxi s LEU 470 N -3.00 0.00 -0.05 -5.54 2.96 -0.31 -4.11 118.68 108.63 3gxi s LEU 470 Ca 0.64 1.02 0.07 0.00 -0.22 0.00 0.00 54.13 55.63 3gxi s LEU 470 Cb -0.33 1.69 -0.01 0.00 0.50 0.00 0.00 46.19 48.04 3gxi s LEU 470 CO 0.41 -0.18 -0.25 -0.89 -1.32 0.00 0.00 176.35 174.12 3gxi s THR 471 N 0.52 2.03 -0.19 3.68 2.01 -0.30 -0.50 115.64 122.89 3gxi s THR 471 Ca -0.02 -1.07 -0.03 0.00 0.31 0.00 0.00 61.69 60.88 3gxi s THR 471 Cb -0.04 -1.71 -0.01 0.00 0.01 0.00 0.00 72.50 70.75 3gxi s THR 471 CO -0.03 0.57 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.78 3gxi s ILE 472 N -0.28 3.36 -0.20 1.82 1.01 -0.50 -0.23 121.20 126.18 3gxi s ILE 472 Ca 0.00 -0.52 -0.10 0.00 0.00 0.00 0.00 60.65 60.04 3gxi s ILE 472 Cb -0.13 -2.49 -0.05 0.00 0.01 0.00 0.00 42.46 39.80 3gxi s ILE 472 CO 0.02 0.46 0.12 -0.75 0.00 0.00 0.00 174.94 174.80 3gxi s LYS 473 N 1.04 4.15 -0.22 2.79 2.20 0.38 -0.52 119.74 129.57 3gxi s LYS 473 Ca 0.00 -0.24 0.01 0.00 -0.36 0.00 0.00 55.97 55.38 3gxi s LYS 473 Cb -0.15 -3.41 0.05 0.00 -1.51 0.00 0.00 37.83 32.82 3gxi s LYS 473 CO -0.00 0.27 -0.09 0.34 -0.36 0.00 0.00 175.35 175.50 3gxi s ASP 474 N 0.45 3.71 0.56 1.43 -1.08 0.00 -0.77 116.67 120.97 3gxi s ASP 474 Ca 0.07 -1.06 0.24 0.00 -0.52 0.00 0.00 52.55 51.29 3gxi s ASP 474 Cb -0.11 -1.29 1.52 0.00 -1.46 0.00 0.00 42.92 41.57 3gxi s ASP 474 CO -0.01 -0.17 2.13 1.55 0.52 0.00 0.00 175.17 179.19 3gxi h PRO 475 N 7.93 0.00 0.00 4.34 0.13 -1.84 0.54 132.00 143.10 3gxi h PRO 475 Ca -0.24 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.86 3gxi h PRO 475 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 3gxi h PRO 475 CO 0.46 0.00 -0.12 0.00 -0.23 0.00 0.00 178.00 178.11 3gxi h ALA 476 N 1.88 1.20 0.00 -0.56 0.00 -1.95 -3.39 119.26 116.44 3gxi h ALA 476 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gxi h ALA 476 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3gxi h ALA 476 CO -0.00 0.15 -0.05 1.33 0.00 0.00 0.00 179.25 180.67 3gxi n VAL 477 N -3.51 0.00 0.00 0.00 0.24 -0.02 -4.96 118.33 110.08 3gxi n VAL 477 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 3gxi n VAL 477 Cb 0.26 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 3gxi n VAL 477 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gxi n GLY 478 N 0.51 0.36 3.31 7.63 0.00 0.17 -4.73 105.19 112.45 3gxi n GLY 478 Ca 0.00 -1.77 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.66 2.42 -0.28 1.61 0.40 0.66 -0.82 117.98 120.31 3gxi s PHE 479 Ca 0.00 -0.51 -0.07 0.00 -0.60 0.00 0.00 56.93 55.74 3gxi s PHE 479 Cb 0.00 -1.56 -0.01 0.00 0.51 0.00 0.00 43.02 41.97 3gxi s PHE 479 CO 0.00 -0.08 0.09 -0.51 0.70 0.00 0.00 175.22 175.42 3gxi s LEU 480 N -0.45 3.73 -0.23 -0.37 1.43 0.33 -1.12 118.68 122.00 3gxi s LEU 480 Ca 0.05 -0.49 -0.17 0.00 -1.03 0.00 0.00 54.13 52.49 3gxi s LEU 480 Cb -0.12 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 3gxi s LEU 480 CO 0.01 -0.13 0.46 -1.61 0.23 0.00 0.00 176.35 175.30 3gxi s GLU 481 N 1.56 4.13 0.26 1.70 8.01 -1.26 -1.41 118.70 131.68 3gxi s GLU 481 Ca 0.04 0.27 -0.02 0.00 0.01 0.00 0.00 54.97 55.27 3gxi s GLU 481 Cb -0.16 -3.59 0.01 0.00 -4.31 0.00 0.00 34.13 26.07 3gxi s GLU 481 CO 0.03 -0.18 0.36 -2.37 0.01 0.00 0.00 175.26 173.11 3gxi n THR 482 N 4.72 0.00 -4.19 3.63 5.66 0.35 -5.03 114.28 119.42 3gxi n THR 482 Ca -0.06 -1.27 -0.18 0.00 -3.05 0.00 0.00 64.05 59.49 3gxi n THR 482 Cb 0.50 0.79 -0.15 0.00 -1.55 0.00 0.00 70.33 69.92 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 -2.70 0.49 -0.67 1.09 1.01 -1.26 -1.17 121.20 117.99 3gxi s ILE 483 Ca 0.21 -0.20 -0.18 0.00 0.00 0.00 0.00 60.65 60.49 3gxi s ILE 483 Cb -0.01 -0.46 0.13 0.00 0.01 0.00 0.00 42.46 42.13 3gxi s ILE 483 CO 0.15 0.17 0.74 -0.55 0.00 0.00 0.00 174.94 175.45 3gxi s SER 484 N 0.29 6.35 0.58 3.58 0.15 0.14 -4.95 113.70 119.84 3gxi s SER 484 Ca -0.03 -1.80 -0.20 0.00 0.70 0.00 0.00 55.95 54.61 3gxi s SER 484 Cb -0.07 -2.28 -0.03 0.00 -1.71 0.00 0.00 66.02 61.92 3gxi s SER 484 CO -0.00 -0.97 1.33 -2.84 1.20 0.00 0.00 173.24 171.96 3gxi s PRO 485 N 2.05 2.93 0.44 5.44 0.02 -1.26 -0.52 135.00 144.10 3gxi s PRO 485 Ca 0.14 2.17 -0.24 0.00 0.02 0.00 0.00 61.00 63.09 3gxi s PRO 485 Cb -0.20 -2.11 -0.10 0.00 0.02 0.00 0.00 34.50 32.12 3gxi s PRO 485 CO 0.01 -1.34 1.12 0.41 -0.33 0.00 0.00 177.00 176.87 3gxi n GLY 486 N 0.78 0.10 3.80 0.52 0.00 -1.24 -2.23 105.19 106.92 3gxi n GLY 486 Ca 0.12 0.14 -0.24 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.49 -1.80 -4.39 1.61 0.53 -0.49 -4.81 117.16 107.30 3gxi n TYR 487 Ca 0.09 0.76 -0.19 0.00 -1.02 0.00 0.00 57.90 57.53 3gxi n TYR 487 Cb 0.40 -4.01 -0.10 0.00 -1.03 0.00 0.00 39.34 34.60 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 -4.26 2.00 -0.03 7.72 1.04 -0.95 -2.06 113.70 117.16 3gxi s SER 488 Ca 0.06 -1.34 -0.01 0.00 0.48 0.00 0.00 55.95 55.14 3gxi s SER 488 Cb -0.02 -0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.11 3gxi s SER 488 CO 0.85 -0.61 0.06 -0.51 0.98 0.00 0.00 173.24 174.01 3gxi s ILE 489 N -3.42 -0.04 0.04 -1.02 2.07 -0.55 -1.00 121.20 117.28 3gxi s ILE 489 Ca 0.35 0.14 0.07 0.00 -1.41 0.00 0.00 60.65 59.81 3gxi s ILE 489 Cb 0.08 -0.11 -0.02 0.00 0.13 0.00 0.00 42.46 42.53 3gxi s ILE 489 CO 0.14 0.06 -0.21 -1.00 -1.91 0.00 0.00 174.94 172.02 3gxi s HIS 490 N 0.78 1.84 -0.10 3.50 3.76 -0.29 -1.00 115.29 123.78 3gxi s HIS 490 Ca -0.06 -0.38 0.02 0.00 -0.15 0.00 0.00 55.06 54.49 3gxi s HIS 490 Cb -0.09 -1.10 -0.01 0.00 1.11 0.00 0.00 32.58 32.48 3gxi s HIS 490 CO -0.03 0.09 -0.16 0.99 -0.85 0.00 0.00 174.74 174.78 3gxi s THR 491 N -0.78 2.79 -0.06 1.30 2.01 -0.31 -1.49 115.64 119.09 3gxi s THR 491 Ca 0.08 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.33 3gxi s THR 491 Cb -0.09 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.27 3gxi s THR 491 CO 0.02 0.55 -0.14 -0.31 -0.69 0.00 0.00 174.62 174.04 3gxi s TYR 492 N 0.08 2.71 -0.02 4.92 1.51 -0.08 -0.82 117.35 125.66 3gxi s TYR 492 Ca -0.07 -0.25 0.02 0.00 -1.01 0.00 0.00 57.07 55.76 3gxi s TYR 492 Cb -0.15 -1.66 0.00 0.00 -0.11 0.00 0.00 41.96 40.04 3gxi s TYR 492 CO 0.05 0.11 -0.07 -0.51 -1.11 0.00 0.00 175.55 174.02 3gxi s LEU 493 N -0.53 1.79 -0.10 -1.29 1.43 -0.45 -1.02 118.68 118.50 3gxi s LEU 493 Ca 0.07 -0.14 -0.27 0.00 -1.03 0.00 0.00 54.13 52.77 3gxi s LEU 493 Cb -0.12 -0.42 0.06 0.00 0.03 0.00 0.00 46.19 45.74 3gxi s LEU 493 CO 0.01 0.05 0.63 -1.66 0.23 0.00 0.00 176.35 175.61 3gxi s TRP 494 N 0.19 -0.62 0.40 0.29 -2.14 -0.97 -0.55 118.94 115.54 3gxi s TRP 494 Ca -0.02 1.20 -0.24 0.00 2.66 0.00 0.00 56.10 59.70 3gxi s TRP 494 Cb -0.07 0.32 -0.09 0.00 -3.10 0.00 0.00 33.47 30.53 3gxi s TRP 494 CO 0.00 -0.51 1.05 -1.01 -2.66 0.00 0.00 176.95 173.82 3gxi s HIS 495 N -0.77 3.26 -0.18 1.66 3.76 -1.26 -0.66 115.29 121.10 3gxi s HIS 495 Ca -0.08 1.64 0.17 0.00 -0.15 0.00 0.00 55.06 56.64 3gxi s HIS 495 Cb -0.02 -3.12 0.50 0.00 1.11 0.00 0.00 32.58 31.05 3gxi s HIS 495 CO 0.07 -0.63 1.39 0.54 -0.85 0.00 0.00 174.74 175.26 3gxi n ARG 496 N -0.11 2.69 0.00 1.40 1.74 -1.26 -4.75 116.66 116.36 3gxi n ARG 496 Ca 0.05 -2.82 0.00 0.00 -0.77 0.00 0.00 57.85 54.31 3gxi n ARG 496 Cb 0.50 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 3gxi n ARG 496 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15