#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aek n GLU 2 N 0.00 0.68 -4.32 0.03 1.02 -1.26 -4.70 120.64 112.09 2aek n GLU 2 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 2aek n GLU 2 Cb 0.00 -1.30 -0.11 0.00 -0.02 0.00 0.00 31.44 30.01 2aek n GLU 2 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2aek s ASN 3 N -0.44 2.51 -0.08 1.62 0.01 -1.26 -5.12 114.94 112.18 2aek s ASN 3 Ca 0.00 -0.89 -0.30 0.00 -0.71 0.00 0.00 52.86 50.97 2aek s ASN 3 Cb 0.00 -0.13 -0.02 0.00 0.41 0.00 0.00 41.25 41.51 2aek s ASN 3 CO 0.00 -0.09 1.07 0.12 -1.51 0.00 0.00 177.10 176.69 2aek s PHE 4 N -2.27 3.43 0.00 2.20 5.36 -1.26 -4.88 117.98 120.56 2aek s PHE 4 Ca 0.16 1.49 0.00 0.00 -0.96 0.00 0.00 56.93 57.61 2aek s PHE 4 Cb -0.04 -3.26 0.00 0.00 -0.34 0.00 0.00 43.02 39.38 2aek s PHE 4 CO 0.06 -0.55 0.00 -2.30 -1.46 0.00 0.00 175.22 170.97 2aek n PRO 5 N 4.93 0.00 0.00 10.12 -0.02 -1.26 -4.65 135.00 144.12 2aek n PRO 5 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2aek n PRO 5 Cb 0.48 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 2aek n PRO 5 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2aek n THR 6 N 1.12 0.00 0.45 3.45 -1.04 -1.26 0.75 114.28 117.76 2aek n THR 6 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.83 2aek n THR 6 Cb 0.00 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.42 2aek n THR 6 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2aek h GLU 7 N 0.00 -1.14 -0.76 -2.82 5.08 -2.00 -1.32 114.58 111.62 2aek h GLU 7 Ca 0.00 0.08 0.17 0.00 -1.00 0.00 0.00 59.36 58.61 2aek h GLU 7 Cb 0.00 0.26 -0.13 0.00 0.50 0.00 0.00 28.75 29.38 2aek h GLU 7 CO 0.00 -0.76 0.07 -0.92 -1.00 0.00 0.00 179.01 176.40 2aek h TYR 8 N -1.18 0.07 0.10 4.33 -0.00 -0.06 -1.14 116.97 119.10 2aek h TYR 8 Ca -0.12 0.05 0.01 0.00 -0.00 0.00 0.00 58.73 58.67 2aek h TYR 8 Cb 0.92 0.09 -0.02 0.00 -0.00 0.00 0.00 36.73 37.72 2aek h TYR 8 CO -0.01 -0.20 -0.15 0.35 -0.00 0.00 0.00 178.16 178.16 2aek h PHE 9 N 0.15 -0.38 -0.04 -3.82 3.57 -1.06 -2.44 116.94 112.93 2aek h PHE 9 Ca 0.42 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.93 2aek h PHE 9 Cb 0.76 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.65 2aek h PHE 9 CO -0.36 -0.22 0.02 -0.07 -2.23 0.00 0.00 178.31 175.45 2aek h LEU 10 N -0.30 0.03 0.20 0.59 3.38 -0.06 -2.13 115.31 117.02 2aek h LEU 10 Ca 0.02 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2aek h LEU 10 Cb 0.31 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2aek h LEU 10 CO -0.07 0.02 -0.10 -1.13 0.09 0.00 0.00 178.44 177.26 2aek h ASN 11 N 0.04 -0.23 -0.97 -0.43 -1.24 -0.85 -2.89 115.58 109.01 2aek h ASN 11 Ca 0.01 0.01 0.19 0.00 0.71 0.00 0.00 56.30 57.23 2aek h ASN 11 Cb 0.01 0.06 -0.11 0.00 0.73 0.00 0.00 38.32 39.01 2aek h ASN 11 CO -0.00 -0.12 0.57 0.71 -1.29 0.00 0.00 177.43 177.29 2aek h THR 12 N -0.35 0.66 -0.86 -3.57 1.35 -1.42 -0.17 112.91 108.55 2aek h THR 12 Ca -0.03 -0.24 0.03 0.00 -0.55 0.00 0.00 66.41 65.63 2aek h THR 12 Cb 0.21 -0.08 -0.05 0.00 -1.73 0.00 0.00 68.15 66.49 2aek h THR 12 CO 0.05 0.13 0.55 0.74 -0.25 0.00 0.00 175.52 176.73 2aek h THR 13 N 0.69 1.14 -0.17 6.82 2.02 -1.46 0.70 112.91 122.65 2aek h THR 13 Ca 0.57 -0.37 -0.06 0.00 0.77 0.00 0.00 66.41 67.32 2aek h THR 13 Cb 0.92 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 2aek h THR 13 CO -0.41 0.20 -0.14 0.58 0.37 0.00 0.00 175.52 176.12 2aek h VAL 14 N 1.07 1.33 -0.56 3.16 2.07 -0.87 -0.41 116.25 122.05 2aek h VAL 14 Ca 0.34 -1.27 0.03 0.00 0.82 0.00 0.00 66.70 66.63 2aek h VAL 14 Cb 0.00 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 2aek h VAL 14 CO -0.12 0.38 0.32 0.03 0.02 0.00 0.00 177.57 178.21 2aek h ARG 15 N 0.06 0.62 0.38 1.57 3.08 -0.58 0.11 114.38 119.61 2aek h ARG 15 Ca 0.03 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2aek h ARG 15 Cb 0.66 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2aek h ARG 15 CO 0.04 0.41 -0.24 1.25 -1.07 0.00 0.00 179.97 180.35 2aek h LEU 16 N 0.64 -0.61 -1.80 3.04 5.85 0.54 0.19 115.31 123.16 2aek h LEU 16 Ca 0.23 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.01 2aek h LEU 16 Cb 0.06 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2aek h LEU 16 CO -0.12 -0.38 0.17 -0.07 -0.34 0.00 0.00 178.44 177.70 2aek h LEU 17 N -0.60 0.23 0.20 2.25 3.38 -0.72 -1.64 115.31 118.41 2aek h LEU 17 Ca -0.04 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2aek h LEU 17 Cb 0.50 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2aek h LEU 17 CO 0.03 0.16 -0.10 -0.33 0.09 0.00 0.00 178.44 178.30 2aek h GLU 18 N 0.27 -0.26 -0.77 1.13 5.08 -0.34 0.32 114.58 120.01 2aek h GLU 18 Ca 0.10 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.65 2aek h GLU 18 Cb 0.06 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.25 2aek h GLU 18 CO -0.02 0.14 0.12 1.88 -1.00 0.00 0.00 179.01 180.13 2aek h TYR 19 N -0.87 0.17 0.00 4.33 -1.99 -0.24 0.10 116.97 118.47 2aek h TYR 19 Ca -0.03 0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.75 2aek h TYR 19 Cb 0.51 0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.29 2aek h TYR 19 CO 0.07 -0.17 0.00 0.44 -0.00 0.00 0.00 178.16 178.50 2aek n ILE 20 N -5.24 0.35 -2.45 -2.88 -5.35 -0.65 -4.81 119.36 98.32 2aek n ILE 20 Ca 0.15 -0.09 -0.01 0.00 -0.27 0.00 0.00 62.75 62.54 2aek n ILE 20 Cb 0.50 -0.60 0.00 0.00 -1.74 0.00 0.00 39.64 37.81 2aek n ILE 20 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2aek n ARG 21 N -1.85 -0.31 -1.64 6.28 1.74 0.35 -4.96 116.66 116.28 2aek n ARG 21 Ca 0.06 0.03 -0.48 0.00 -0.77 0.00 0.00 57.85 56.70 2aek n ARG 21 Cb 0.36 -2.63 -0.05 0.00 -1.02 0.00 0.00 32.46 29.12 2aek n ARG 21 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 2aek n TYR 22 N -2.31 2.19 -3.59 -1.55 9.36 0.11 -4.91 117.16 116.46 2aek n TYR 22 Ca -0.00 -0.01 -0.03 0.00 3.32 0.00 0.00 57.90 61.18 2aek n TYR 22 Cb 0.50 -2.66 -0.00 0.00 -0.63 0.00 0.00 39.34 36.54 2aek n TYR 22 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 2aek n ARG 23 N 7.21 0.21 -2.44 2.98 1.85 -1.26 -4.94 116.66 120.26 2aek n ARG 23 Ca 0.26 -0.69 -0.34 0.00 -1.00 0.00 0.00 57.85 56.08 2aek n ARG 23 Cb 0.31 0.70 -0.02 0.00 -1.05 0.00 0.00 32.46 32.40 2aek n ARG 23 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2aek s ASP 24 N -1.55 6.21 0.28 2.89 1.11 -1.26 -5.07 116.67 119.28 2aek s ASP 24 Ca 0.07 1.93 0.11 0.00 0.18 0.00 0.00 52.55 54.83 2aek s ASP 24 Cb -0.00 -2.56 -0.05 0.00 1.07 0.00 0.00 42.92 41.38 2aek s ASP 24 CO 0.05 -0.87 -0.17 -0.94 1.18 0.00 0.00 175.17 174.41 2aek s SER 25 N -2.10 3.50 -0.05 0.27 1.04 -1.26 -5.00 113.70 110.09 2aek s SER 25 Ca 0.67 -1.06 0.01 0.00 0.48 0.00 0.00 55.95 56.05 2aek s SER 25 Cb -0.17 -0.29 0.12 0.00 0.10 0.00 0.00 66.02 65.78 2aek s SER 25 CO 0.23 -0.03 0.90 0.59 0.98 0.00 0.00 173.24 175.92 2aek n ASN 26 N -0.62 2.38 -4.21 7.02 3.02 -1.26 -4.55 115.26 117.04 2aek n ASN 26 Ca -0.05 -2.20 -0.41 0.00 -0.03 0.00 0.00 54.58 51.89 2aek n ASN 26 Cb 0.61 -0.54 -0.05 0.00 -0.61 0.00 0.00 39.78 39.19 2aek n ASN 26 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2aek s TYR 27 N -0.94 3.83 0.96 3.10 5.04 -1.26 -5.07 117.35 123.01 2aek s TYR 27 Ca 0.09 -2.65 -0.11 0.00 -2.44 0.00 0.00 57.07 51.96 2aek s TYR 27 Cb 0.07 -3.49 0.17 0.00 0.35 0.00 0.00 41.96 39.06 2aek s TYR 27 CO 0.02 -0.87 1.10 0.95 -1.34 0.00 0.00 175.55 175.41 2aek s THR 28 N -0.69 2.32 0.22 4.34 -4.23 -1.26 -4.77 115.64 111.57 2aek s THR 28 Ca 0.24 0.11 -0.04 0.00 -1.18 0.00 0.00 61.69 60.81 2aek s THR 28 Cb -0.11 -2.29 0.05 0.00 1.34 0.00 0.00 72.50 71.48 2aek s THR 28 CO -0.09 -0.14 1.65 0.03 -0.54 0.00 0.00 174.62 175.54 2aek h ARG 29 N -1.92 0.79 -0.86 3.99 3.08 -1.90 0.21 114.38 117.77 2aek h ARG 29 Ca -0.49 -0.30 0.01 0.00 0.07 0.00 0.00 59.98 59.27 2aek h ARG 29 Cb 1.29 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.24 2aek h ARG 29 CO 0.48 0.91 0.57 0.93 -1.07 0.00 0.00 179.97 181.79 2aek h GLU 30 N 0.70 1.12 -0.16 0.04 5.08 -1.96 0.21 114.58 119.60 2aek h GLU 30 Ca 0.11 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2aek h GLU 30 Cb 0.68 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 2aek h GLU 30 CO 0.05 0.74 -0.08 0.93 -1.00 0.00 0.00 179.01 179.65 2aek h GLU 31 N 1.15 0.34 -0.48 2.33 5.08 -1.75 -1.35 114.58 119.90 2aek h GLU 31 Ca 0.32 -0.15 0.07 0.00 -1.00 0.00 0.00 59.36 58.60 2aek h GLU 31 Cb -0.11 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.08 2aek h GLU 31 CO -0.07 0.65 0.15 0.00 -1.00 0.00 0.00 179.01 178.74 2aek h ARG 32 N 0.02 0.30 -0.52 2.33 3.08 -0.56 -1.12 114.38 117.91 2aek h ARG 32 Ca 0.04 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 2aek h ARG 32 Cb 0.55 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 2aek h ARG 32 CO 0.02 0.20 0.04 0.82 -1.07 0.00 0.00 179.97 179.98 2aek h ILE 33 N 0.31 1.24 -0.23 2.04 2.04 -0.89 0.89 117.51 122.91 2aek h ILE 33 Ca 0.23 -0.98 0.06 0.00 1.00 0.00 0.00 64.86 65.17 2aek h ILE 33 Cb 0.26 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 2aek h ILE 33 CO -0.26 0.35 -0.17 -0.33 0.00 0.00 0.00 178.15 177.75 2aek h GLU 34 N 0.80 -0.15 0.09 2.37 5.08 -0.05 -2.09 114.58 120.63 2aek h GLU 34 Ca 0.16 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2aek h GLU 34 Cb 0.43 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2aek h GLU 34 CO 0.02 -0.10 -0.05 -0.91 -1.00 0.00 0.00 179.01 176.97 2aek h ASN 35 N -0.16 -0.11 -0.85 1.42 2.35 -1.08 -2.62 115.58 114.54 2aek h ASN 35 Ca 0.13 -0.37 0.14 0.00 -0.55 0.00 0.00 56.30 55.65 2aek h ASN 35 Cb 0.36 0.03 -0.14 0.00 0.05 0.00 0.00 38.32 38.61 2aek h ASN 35 CO -0.33 0.33 -0.37 -0.07 -1.65 0.00 0.00 177.43 175.35 2aek h LEU 36 N -0.57 -1.32 -0.82 1.61 3.38 -0.69 0.17 115.31 117.06 2aek h LEU 36 Ca -0.01 0.28 -0.07 0.00 0.09 0.00 0.00 57.88 58.17 2aek h LEU 36 Cb 0.47 0.69 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 2aek h LEU 36 CO 0.02 -0.29 0.12 -0.74 0.09 0.00 0.00 178.44 177.63 2aek h HIS 37 N -0.06 1.05 0.35 1.13 2.76 -1.42 0.19 115.15 119.15 2aek h HIS 37 Ca 0.31 -0.13 -0.02 0.00 -2.20 0.00 0.00 60.37 58.33 2aek h HIS 37 Cb 0.58 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.25 2aek h HIS 37 CO -0.78 0.88 -0.17 -0.92 -1.30 0.00 0.00 177.93 175.64 2aek h TYR 38 N 0.94 -0.43 0.74 5.26 3.20 -0.39 0.72 116.97 127.00 2aek h TYR 38 Ca 0.19 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 2aek h TYR 38 Cb 0.39 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 2aek h TYR 38 CO 0.03 -0.21 -0.48 0.00 -1.64 0.00 0.00 178.16 175.86 2aek h ALA 39 N 0.06 -1.25 -0.86 1.82 0.00 -0.79 -2.17 119.26 116.07 2aek h ALA 39 Ca -0.05 -0.24 0.19 0.00 0.00 0.00 0.00 54.91 54.82 2aek h ALA 39 Cb 0.42 0.61 -0.11 0.00 0.00 0.00 0.00 17.79 18.71 2aek h ALA 39 CO 0.08 -1.22 0.37 -0.92 0.00 0.00 0.00 179.25 177.56 2aek h TYR 40 N -1.15 0.61 -0.62 0.00 3.20 -0.94 -1.41 116.97 116.66 2aek h TYR 40 Ca -0.10 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.79 2aek h TYR 40 Cb 0.93 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 39.03 2aek h TYR 40 CO -0.12 0.00 0.32 -0.97 -1.64 0.00 0.00 178.16 175.75 2aek h ASN 41 N 0.43 0.80 -0.04 -2.11 -1.24 -0.56 0.33 115.58 113.18 2aek h ASN 41 Ca 0.51 -0.11 -0.01 0.00 0.71 0.00 0.00 56.30 57.40 2aek h ASN 41 Cb 0.90 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.75 2aek h ASN 41 CO -0.49 0.68 -0.01 0.50 -1.29 0.00 0.00 177.43 176.83 2aek h LYS 42 N 0.85 0.07 0.05 6.67 3.64 -0.65 -2.47 116.57 124.72 2aek h LYS 42 Ca 0.22 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 2aek h LYS 42 Cb 0.08 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2aek h LYS 42 CO -0.03 0.40 -0.14 0.00 -2.27 0.00 0.00 179.45 177.41 2aek h ALA 43 N 0.67 -0.20 -0.52 5.00 0.00 -1.20 -1.53 119.26 121.48 2aek h ALA 43 Ca 0.01 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.02 2aek h ALA 43 Cb 0.37 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.29 2aek h ALA 43 CO 0.00 -0.65 -0.12 0.00 0.00 0.00 0.00 179.25 178.49 2aek h ALA 44 N 0.65 0.35 -0.33 0.00 0.00 -0.34 0.24 119.26 119.83 2aek h ALA 44 Ca 0.03 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2aek h ALA 44 Cb 0.29 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2aek h ALA 44 CO -0.10 -0.44 0.05 0.45 0.00 0.00 0.00 179.25 179.22 2aek h HIS 45 N 0.01 0.49 0.44 0.00 -0.00 -1.21 -0.91 115.15 113.97 2aek h HIS 45 Ca 0.25 -0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.57 2aek h HIS 45 Cb 0.38 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.65 2aek h HIS 45 CO -0.43 0.45 -0.21 1.25 -0.00 0.00 0.00 177.93 178.99 2aek h HIS 46 N 0.48 -0.55 0.00 2.45 6.17 0.40 -2.84 115.15 121.25 2aek h HIS 46 Ca 0.11 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.18 2aek h HIS 46 Cb 0.23 0.18 0.00 0.00 2.52 0.00 0.00 27.41 30.34 2aek h HIS 46 CO 0.01 -0.24 0.00 0.74 0.71 0.00 0.00 177.93 179.15 2aek h PHE 47 N -0.84 0.00 -0.00 5.26 0.04 -0.73 -2.43 116.94 118.24 2aek h PHE 47 Ca -0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.71 2aek h PHE 47 Cb 0.56 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.71 2aek h PHE 47 CO 0.00 0.00 -0.20 0.00 -0.60 0.00 0.00 178.31 177.51 2aek n ALA 48 N -1.81 2.84 -1.77 2.45 0.00 -0.36 -4.06 120.51 117.80 2aek n ALA 48 Ca 0.01 -0.21 -0.39 0.00 0.00 0.00 0.00 53.44 52.86 2aek n ALA 48 Cb 0.20 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.33 2aek n ALA 48 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2aek s GLN 49 N -2.96 3.79 0.21 0.00 -0.21 -0.92 -4.17 119.66 115.40 2aek s GLN 49 Ca 0.14 2.04 -0.11 0.00 0.02 0.00 0.00 55.36 57.45 2aek s GLN 49 Cb 0.18 -2.58 0.27 0.00 1.00 0.00 0.00 33.01 31.88 2aek s GLN 49 CO 0.59 -0.60 1.69 -1.00 -2.12 0.00 0.00 175.29 173.85 2aek h PRO 50 N 2.32 0.20 0.60 2.91 0.13 -1.90 0.26 132.00 136.52 2aek h PRO 50 Ca -0.50 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 2aek h PRO 50 Cb 1.25 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2aek h PRO 50 CO 0.61 0.13 -0.39 -0.09 -0.23 0.00 0.00 178.00 178.03 2aek h ARG 51 N 0.20 -0.91 -1.00 0.86 2.43 -1.95 0.26 114.38 114.27 2aek h ARG 51 Ca 0.30 0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.66 2aek h ARG 51 Cb 0.46 0.21 -0.09 0.00 -0.42 0.00 0.00 29.97 30.13 2aek h ARG 51 CO -0.42 -0.61 0.62 1.96 -1.51 0.00 0.00 179.97 180.01 2aek h GLN 52 N -0.94 0.95 -0.87 0.20 1.08 -1.78 -0.36 115.11 113.38 2aek h GLN 52 Ca -0.07 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 2aek h GLN 52 Cb 0.77 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 27.95 2aek h GLN 52 CO 0.06 0.63 0.52 1.96 -0.95 0.00 0.00 178.83 181.04 2aek h GLN 53 N 0.98 1.19 0.13 1.46 1.08 0.26 -1.98 115.11 118.23 2aek h GLN 53 Ca 0.50 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.58 2aek h GLN 53 Cb 0.50 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 2aek h GLN 53 CO -0.27 0.84 -0.06 1.96 -0.95 0.00 0.00 178.83 180.35 2aek h GLN 54 N 1.21 -0.17 -0.36 1.46 4.20 0.11 -3.36 115.11 118.20 2aek h GLN 54 Ca 0.31 0.01 0.11 0.00 0.06 0.00 0.00 58.65 59.14 2aek h GLN 54 Cb -0.03 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2aek h GLN 54 CO -0.06 -0.11 0.28 -0.07 -0.67 0.00 0.00 178.83 178.20 2aek h LEU 55 N -0.37 0.00 -7.94 1.46 3.38 -1.31 -3.36 115.31 107.17 2aek h LEU 55 Ca -0.02 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.24 2aek h LEU 55 Cb 0.13 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.69 2aek h LEU 55 CO 0.03 0.00 0.69 -0.22 0.09 0.00 0.00 178.44 179.03 2aek s LEU 56 N -8.61 5.42 -0.88 1.67 2.96 -0.74 -4.71 118.68 113.80 2aek s LEU 56 Ca -0.05 -2.21 -0.25 0.00 -0.22 0.00 0.00 54.13 51.40 2aek s LEU 56 Cb 0.18 -2.36 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 2aek s LEU 56 CO 0.69 -0.95 1.84 -0.54 -1.32 0.00 0.00 176.35 176.07 2aek s LYS 57 N 2.10 2.74 -0.00 1.98 1.02 -1.26 -4.88 119.74 121.44 2aek s LYS 57 Ca 0.30 -0.31 -0.02 0.00 0.02 0.00 0.00 55.97 55.96 2aek s LYS 57 Cb -0.06 -5.00 -0.00 0.00 -0.52 0.00 0.00 37.83 32.25 2aek s LYS 57 CO -0.09 -3.08 0.04 0.08 -0.92 0.00 0.00 175.35 171.37 2aek s VAL 58 N 9.05 0.05 -0.05 3.17 1.01 -1.26 -5.02 120.40 127.35 2aek s VAL 58 Ca 0.65 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.94 2aek s VAL 58 Cb -0.06 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 2aek s VAL 58 CO 0.01 -0.21 1.24 -0.62 0.00 0.00 0.00 175.10 175.52 2aek s ASP 59 N -0.65 7.00 0.15 3.32 2.15 -1.26 -4.88 116.67 122.51 2aek s ASP 59 Ca -0.07 1.87 -0.18 0.00 0.43 0.00 0.00 52.55 54.60 2aek s ASP 59 Cb -0.04 -2.56 0.08 0.00 -0.30 0.00 0.00 42.92 40.10 2aek s ASP 59 CO -0.00 -0.62 1.19 -2.65 -0.17 0.00 0.00 175.17 172.92 2aek n PRO 60 N 5.30 -0.25 -0.34 4.34 -0.02 -1.26 0.60 135.00 143.37 2aek n PRO 60 Ca 0.11 1.17 0.15 0.00 -2.02 0.00 0.00 63.50 62.91 2aek n PRO 60 Cb 0.46 -1.73 0.36 0.00 -0.02 0.00 0.00 33.50 32.56 2aek n PRO 60 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2aek h LYS 61 N 0.00 0.67 0.14 -0.52 1.57 -1.99 -0.88 116.57 115.56 2aek h LYS 61 Ca 0.20 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2aek h LYS 61 Cb 0.40 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2aek h LYS 61 CO -0.75 0.44 -0.07 0.00 -0.57 0.00 0.00 179.45 178.51 2aek h ARG 62 N 0.69 -0.18 -0.57 3.15 3.08 -0.22 -2.14 114.38 118.19 2aek h ARG 62 Ca 0.58 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.74 2aek h ARG 62 Cb 0.99 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 31.01 2aek h ARG 62 CO -0.37 0.18 0.14 1.25 -1.07 0.00 0.00 179.97 180.10 2aek h LEU 63 N -0.58 0.04 -1.04 3.04 5.85 -0.83 0.98 115.31 122.77 2aek h LEU 63 Ca -0.02 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.83 2aek h LEU 63 Cb 0.45 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 2aek h LEU 63 CO 0.03 0.03 0.64 -0.61 -0.34 0.00 0.00 178.44 178.20 2aek h GLN 64 N 0.27 1.22 0.01 1.25 5.75 -1.15 0.52 115.11 122.98 2aek h GLN 64 Ca 0.30 -0.07 -0.22 0.00 -0.15 0.00 0.00 58.65 58.50 2aek h GLN 64 Cb 0.42 -0.27 -0.00 0.00 1.07 0.00 0.00 27.48 28.70 2aek h GLN 64 CO -0.37 0.80 -0.94 0.00 -2.65 0.00 0.00 178.83 175.68 2aek h ALA 65 N 1.42 0.39 -0.00 3.38 0.00 -0.56 -2.96 119.26 120.93 2aek h ALA 65 Ca 0.39 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2aek h ALA 65 Cb -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2aek h ALA 65 CO -0.12 0.84 -0.00 0.77 0.00 0.00 0.00 179.25 180.74 2aek h SER 66 N 0.20 0.00 -0.54 0.00 0.02 -0.45 -2.15 113.55 110.64 2aek h SER 66 Ca -0.07 -0.39 0.09 0.00 -0.84 0.00 0.00 61.79 60.58 2aek h SER 66 Cb 1.58 -0.00 -0.07 0.00 0.14 0.00 0.00 62.40 64.04 2aek h SER 66 CO 0.16 0.39 0.12 0.25 -1.14 0.00 0.00 176.83 176.61 2aek h LEU 67 N -0.39 0.03 -0.95 5.07 5.85 -0.97 0.26 115.31 124.21 2aek h LEU 67 Ca 0.00 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 2aek h LEU 67 Cb 0.39 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2aek h LEU 67 CO 0.00 0.04 0.17 1.56 -0.34 0.00 0.00 178.44 179.87 2aek h GLN 68 N 0.27 0.94 -0.16 1.25 4.20 -1.49 0.13 115.11 120.24 2aek h GLN 68 Ca 0.27 -0.19 -0.14 0.00 0.06 0.00 0.00 58.65 58.65 2aek h GLN 68 Cb 0.37 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 2aek h GLN 68 CO -0.34 0.82 -0.51 1.15 -0.67 0.00 0.00 178.83 179.29 2aek h THR 69 N 0.90 1.33 -0.02 -0.54 2.02 -0.59 -2.66 112.91 113.35 2aek h THR 69 Ca 0.20 -1.74 -0.11 0.00 0.77 0.00 0.00 66.41 65.53 2aek h THR 69 Cb 0.29 1.76 0.01 0.00 -1.74 0.00 0.00 68.15 68.47 2aek h THR 69 CO -0.00 0.53 -0.40 0.40 0.37 0.00 0.00 175.52 176.41 2aek h ILE 70 N 0.34 1.47 -0.61 3.11 1.08 -0.54 -1.52 117.51 120.83 2aek h ILE 70 Ca 0.01 -1.94 0.09 0.00 -0.39 0.00 0.00 64.86 62.63 2aek h ILE 70 Cb 1.01 2.59 -0.07 0.00 -3.07 0.00 0.00 36.82 37.28 2aek h ILE 70 CO 0.09 0.55 0.24 0.58 -0.69 0.00 0.00 178.15 178.92 2aek h VAL 71 N -0.26 0.78 0.09 1.67 2.07 -0.81 0.40 116.25 120.19 2aek h VAL 71 Ca -0.05 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.34 2aek h VAL 71 Cb 1.12 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 2aek h VAL 71 CO 0.08 0.08 -0.15 1.23 0.02 0.00 0.00 177.57 178.83 2aek h GLY 72 N 0.43 -0.27 0.21 2.17 0.00 -1.45 0.02 103.07 104.17 2aek h GLY 72 Ca 0.31 0.18 0.11 0.00 0.00 0.00 0.00 47.33 47.92 2aek h GLY 72 CO -0.30 -0.15 0.10 1.98 0.00 0.00 0.00 176.54 178.17 2aek h MET 73 N -0.30 0.22 0.10 4.80 -1.53 -0.13 -1.80 114.93 116.30 2aek h MET 73 Ca 0.02 -0.01 -0.00 0.00 -3.44 0.00 0.00 59.70 56.27 2aek h MET 73 Cb 0.32 -0.05 0.00 0.00 -0.55 0.00 0.00 31.60 31.32 2aek h MET 73 CO -0.09 0.15 -0.05 0.28 0.14 0.00 0.00 176.91 177.35 2aek h VAL 74 N 0.23 1.11 -0.47 -5.77 2.07 -0.60 -2.35 116.25 110.48 2aek h VAL 74 Ca 0.29 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 2aek h VAL 74 Cb 0.43 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 2aek h VAL 74 CO -0.39 0.20 0.14 0.58 0.02 0.00 0.00 177.57 178.12 2aek h VAL 75 N -0.52 1.19 0.00 2.57 2.07 -0.90 0.15 116.25 120.80 2aek h VAL 75 Ca -0.01 -0.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.78 2aek h VAL 75 Cb 0.43 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2aek h VAL 75 CO 0.02 0.25 -0.31 1.88 0.02 0.00 0.00 177.57 179.43 2aek h TYR 76 N 0.68 0.00 0.00 1.57 -1.99 -1.38 -3.37 116.97 112.47 2aek h TYR 76 Ca 0.16 0.00 -0.29 0.00 2.00 0.00 0.00 58.73 60.60 2aek h TYR 76 Cb 0.21 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 38.89 2aek h TYR 76 CO 0.01 0.28 -2.08 0.43 -0.00 0.00 0.00 178.16 176.80 2aek n SER 77 N -3.15 1.70 -2.23 3.88 7.64 -0.88 -3.99 113.62 116.58 2aek n SER 77 Ca 0.03 -0.04 -0.27 0.00 1.01 0.00 0.00 58.87 59.60 2aek n SER 77 Cb 0.64 0.41 0.04 0.00 -1.01 0.00 0.00 64.21 64.29 2aek n SER 77 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2aek n TRP 78 N -2.77 2.24 -0.35 1.43 8.01 0.49 -3.47 117.44 123.02 2aek n TRP 78 Ca -0.29 -2.34 0.32 0.00 -1.31 0.00 0.00 57.50 53.88 2aek n TRP 78 Cb 0.95 -1.21 0.59 0.00 -2.01 0.00 0.00 31.31 29.63 2aek n TRP 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2aek h ALA 79 N 2.05 2.26 -0.03 6.99 0.00 -1.77 -1.42 119.26 127.34 2aek h ALA 79 Ca 0.44 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.58 2aek h ALA 79 Cb 0.76 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2aek h ALA 79 CO 1.12 -1.01 0.00 1.63 0.00 0.00 0.00 179.25 180.98 2aek n LYS 80 N -5.14 1.70 -2.65 0.00 4.76 -1.26 -4.93 118.16 110.63 2aek n LYS 80 Ca 0.38 -1.02 -0.23 0.00 -2.87 0.00 0.00 58.31 54.57 2aek n LYS 80 Cb 1.30 -1.47 0.03 0.00 -1.84 0.00 0.00 35.03 33.05 2aek n LYS 80 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2aek s VAL 81 N -1.98 3.19 1.09 -0.18 -7.23 -0.54 -5.07 120.40 109.67 2aek s VAL 81 Ca 0.37 -0.45 -0.13 0.00 -1.81 0.00 0.00 61.98 59.96 2aek s VAL 81 Cb 0.21 -3.22 0.24 0.00 0.56 0.00 0.00 36.38 34.16 2aek s VAL 81 CO 0.33 -0.18 1.07 -0.94 -0.31 0.00 0.00 175.10 175.06 2aek s SER 82 N -4.35 1.79 0.03 4.85 1.04 -1.26 -4.80 113.70 110.99 2aek s SER 82 Ca 0.54 1.24 -0.25 0.00 0.48 0.00 0.00 55.95 57.96 2aek s SER 82 Cb -0.10 -1.93 -0.17 0.00 0.10 0.00 0.00 66.02 63.91 2aek s SER 82 CO 0.40 -3.66 1.47 0.11 0.98 0.00 0.00 173.24 172.54 2aek h LYS 83 N -2.25 -0.12 -0.92 4.02 1.57 -1.98 -1.53 116.57 115.35 2aek h LYS 83 Ca -0.57 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.33 2aek h LYS 83 Cb 1.34 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.59 2aek h LYS 83 CO 0.54 0.13 0.55 0.93 -0.57 0.00 0.00 179.45 181.04 2aek h GLU 84 N -0.37 0.85 -0.41 3.15 4.39 -1.98 -0.88 114.58 119.33 2aek h GLU 84 Ca -0.01 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2aek h GLU 84 Cb 0.31 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 2aek h GLU 84 CO 0.02 0.56 0.23 0.00 -1.16 0.00 0.00 179.01 178.67 2aek h MET 86 N 0.53 0.39 0.54 0.00 2.86 -0.16 0.18 114.93 119.27 2aek h MET 86 Ca 0.14 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 2aek h MET 86 Cb 0.03 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 2aek h MET 86 CO -0.03 0.26 -0.36 0.00 1.06 0.00 0.00 176.91 177.84 2aek h ALA 87 N 1.22 -1.15 -0.82 6.32 0.00 -0.87 0.12 119.26 124.08 2aek h ALA 87 Ca 0.18 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.02 2aek h ALA 87 Cb 0.09 0.50 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 2aek h ALA 87 CO -0.13 -1.13 0.44 -0.44 0.00 0.00 0.00 179.25 178.00 2aek h ASP 88 N -0.86 0.59 -0.33 0.00 3.32 -0.93 0.45 116.42 118.66 2aek h ASP 88 Ca -0.07 0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 2aek h ASP 88 Cb 0.69 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 2aek h ASP 88 CO 0.06 0.31 0.07 -0.07 -1.72 0.00 0.00 179.24 177.88 2aek h LEU 89 N 0.70 0.59 -0.89 1.55 3.38 -0.84 -1.80 115.31 118.00 2aek h LEU 89 Ca 0.42 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 2aek h LEU 89 Cb 0.48 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 2aek h LEU 89 CO -0.29 0.61 0.55 0.28 0.09 0.00 0.00 178.44 179.67 2aek h SER 90 N 0.61 1.06 -0.32 -0.43 0.02 0.26 0.23 113.55 114.98 2aek h SER 90 Ca 0.14 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 2aek h SER 90 Cb 0.28 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2aek h SER 90 CO 0.00 0.80 0.01 0.40 -1.14 0.00 0.00 176.83 176.90 2aek h ILE 91 N 1.22 1.25 -0.04 3.27 2.04 -0.45 -1.52 117.51 123.29 2aek h ILE 91 Ca 0.32 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 2aek h ILE 91 Cb -0.07 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2aek h ILE 91 CO -0.06 0.30 0.02 -0.74 0.00 0.00 0.00 178.15 177.67 2aek h HIS 92 N 0.35 0.05 0.00 1.37 2.76 -0.92 -1.56 115.15 117.20 2aek h HIS 92 Ca 0.09 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 2aek h HIS 92 Cb 0.43 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.37 2aek h HIS 92 CO 0.03 0.13 0.00 1.88 -1.30 0.00 0.00 177.93 178.67 2aek h TYR 93 N -0.04 0.00 0.01 5.26 0.05 -0.98 -2.09 116.97 119.18 2aek h TYR 93 Ca 0.01 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.52 2aek h TYR 93 Cb 0.10 0.00 0.02 0.00 1.01 0.00 0.00 36.73 37.86 2aek h TYR 93 CO -0.04 0.00 -1.06 1.15 -1.05 0.00 0.00 178.16 177.16 2aek h THR 94 N 0.00 1.28 0.05 -2.88 2.02 -0.83 -1.76 112.91 110.79 2aek h THR 94 Ca 0.00 -2.28 0.01 0.00 0.77 0.00 0.00 66.41 64.92 2aek h THR 94 Cb 0.51 2.41 -0.02 0.00 -1.74 0.00 0.00 68.15 69.31 2aek h THR 94 CO 0.00 0.70 -0.12 1.88 0.37 0.00 0.00 175.52 178.35 2aek h TYR 95 N 0.38 -0.32 -0.46 3.16 0.05 -0.78 0.06 116.97 119.06 2aek h TYR 95 Ca -0.13 0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.72 2aek h TYR 95 Cb 1.72 0.13 -0.05 0.00 1.01 0.00 0.00 36.73 39.54 2aek h TYR 95 CO 0.10 -0.19 0.16 1.79 -1.05 0.00 0.00 178.16 178.97 2aek h THR 96 N -0.23 0.84 -0.97 -2.88 1.35 -1.40 -1.38 112.91 108.22 2aek h THR 96 Ca 0.03 -0.11 0.01 0.00 -0.55 0.00 0.00 66.41 65.78 2aek h THR 96 Cb 0.26 0.49 -0.05 0.00 -1.73 0.00 0.00 68.15 67.12 2aek h THR 96 CO -0.08 0.06 0.64 0.25 -0.25 0.00 0.00 175.52 176.14 2aek h LEU 97 N 0.32 1.12 -1.43 3.87 5.85 -0.86 -1.86 115.31 122.33 2aek h LEU 97 Ca 0.22 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 2aek h LEU 97 Cb 0.23 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2aek h LEU 97 CO -0.23 0.82 -0.12 0.58 -0.34 0.00 0.00 178.44 179.15 2aek h VAL 98 N 1.32 1.17 0.00 1.05 2.07 0.04 -2.72 116.25 119.18 2aek h VAL 98 Ca 0.36 -0.74 -0.13 0.00 0.82 0.00 0.00 66.70 67.00 2aek h VAL 98 Cb -0.14 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2aek h VAL 98 CO -0.08 0.23 -0.62 0.25 0.02 0.00 0.00 177.57 177.38 2aek h LEU 99 N 0.22 0.00 -2.30 2.57 5.85 -0.50 -2.90 115.31 118.25 2aek h LEU 99 Ca 0.05 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2aek h LEU 99 Cb 0.35 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 2aek h LEU 99 CO 0.02 0.62 -0.03 -0.78 -0.34 0.00 0.00 178.44 177.92 2aek h ASP 100 N 0.00 0.00 0.64 1.25 1.82 -1.13 -1.54 116.42 117.46 2aek h ASP 100 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2aek h ASP 100 Cb 1.21 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.22 2aek h ASP 100 CO 0.08 0.03 -1.34 0.47 -1.61 0.00 0.00 179.24 176.88 2aek n ASP 101 N -3.31 0.56 -4.61 2.28 9.92 -1.10 -4.96 116.55 115.32 2aek n ASP 101 Ca -0.02 0.20 -0.35 0.00 -0.53 0.00 0.00 54.79 54.09 2aek n ASP 101 Cb 0.17 0.98 0.11 0.00 -0.64 0.00 0.00 41.12 41.73 2aek n ASP 101 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2aek n SER 102 N -2.51 0.23 -0.75 -2.24 2.88 -0.58 -4.94 113.62 105.71 2aek n SER 102 Ca -0.01 0.59 0.05 0.00 -1.33 0.00 0.00 58.87 58.16 2aek n SER 102 Cb 0.55 -1.40 0.09 0.00 -0.75 0.00 0.00 64.21 62.70 2aek n SER 102 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2aek n LYS 103 N -2.28 0.67 -3.73 -1.46 5.02 -1.26 -5.01 118.16 110.11 2aek n LYS 103 Ca 0.12 -2.23 -0.37 0.00 -2.02 0.00 0.00 58.31 53.82 2aek n LYS 103 Cb 0.50 -0.84 -0.11 0.00 -0.02 0.00 0.00 35.03 34.56 2aek n LYS 103 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2aek s ASP 104 N -2.27 5.60 -0.25 4.39 1.01 -1.26 -5.04 116.67 118.85 2aek s ASP 104 Ca 0.27 -0.07 -0.39 0.00 0.71 0.00 0.00 52.55 53.07 2aek s ASP 104 Cb 0.27 -2.01 -0.15 0.00 1.01 0.00 0.00 42.92 42.04 2aek s ASP 104 CO -0.06 -0.00 1.81 -0.67 0.21 0.00 0.00 175.17 176.46 2aek n ASP 105 N 4.71 2.58 -0.12 0.27 -0.08 -1.26 -4.84 116.55 117.81 2aek n ASP 105 Ca -0.15 1.01 -0.12 0.00 -1.51 0.00 0.00 54.79 54.01 2aek n ASP 105 Cb 0.52 -1.19 -0.00 0.00 2.34 0.00 0.00 41.12 42.78 2aek n ASP 105 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2aek h PRO 106 N 8.00 0.93 -0.07 -0.67 0.11 -1.96 -3.39 132.00 134.95 2aek h PRO 106 Ca -0.45 -0.46 0.01 0.00 0.11 0.00 0.00 66.00 65.21 2aek h PRO 106 Cb 1.31 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 2aek h PRO 106 CO 0.97 1.12 -0.04 0.98 -0.21 0.00 0.00 178.00 180.81 2aek n TYR 107 N -4.07 -0.03 -0.07 0.65 4.19 -1.26 -0.26 117.16 116.31 2aek n TYR 107 Ca -0.01 0.08 0.17 0.00 3.31 0.00 0.00 57.90 61.44 2aek n TYR 107 Cb 0.52 -0.23 0.58 0.00 0.49 0.00 0.00 39.34 40.70 2aek n TYR 107 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 2aek h PRO 108 N 0.00 0.23 0.00 2.98 0.13 -2.00 -0.72 132.00 132.62 2aek h PRO 108 Ca 0.01 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2aek h PRO 108 Cb 0.03 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.11 2aek h PRO 108 CO -0.06 0.15 -0.38 0.25 -0.23 0.00 0.00 178.00 177.73 2aek n THR 109 N -4.44 0.05 1.08 1.56 -2.24 0.64 -3.78 114.28 107.15 2aek n THR 109 Ca 0.11 -0.03 0.12 0.00 -2.27 0.00 0.00 64.05 61.98 2aek n THR 109 Cb 0.52 0.01 0.13 0.00 -2.10 0.00 0.00 70.33 68.90 2aek n THR 109 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2aek n MET 110 N -1.58 1.52 -0.25 -0.78 2.81 -0.30 -4.01 117.12 114.53 2aek n MET 110 Ca 0.06 -1.19 0.09 0.00 -1.81 0.00 0.00 57.70 54.84 2aek n MET 110 Cb 0.35 -1.48 0.34 0.00 -0.71 0.00 0.00 33.22 31.72 2aek n MET 110 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2aek h VAL 111 N 2.91 0.94 -0.13 2.03 2.07 -1.58 -2.61 116.25 119.87 2aek h VAL 111 Ca 0.00 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 2aek h VAL 111 Cb 0.77 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2aek h VAL 111 CO 0.00 0.14 -0.17 0.59 0.02 0.00 0.00 177.57 178.16 2aek n ASN 112 N -4.52 2.45 -0.03 0.57 3.02 -1.26 -4.84 115.26 110.64 2aek n ASN 112 Ca 0.15 -3.49 -0.13 0.00 -0.03 0.00 0.00 54.58 51.07 2aek n ASN 112 Cb 0.34 -0.53 -0.09 0.00 -0.61 0.00 0.00 39.78 38.90 2aek n ASN 112 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2aek h TYR 113 N 0.84 -1.42 -0.79 3.10 3.20 -1.71 -1.22 116.97 118.98 2aek h TYR 113 Ca 0.06 0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.93 2aek h TYR 113 Cb 1.24 0.64 -0.03 0.00 1.54 0.00 0.00 36.73 40.12 2aek h TYR 113 CO 0.57 -0.47 0.31 0.35 -1.64 0.00 0.00 178.16 177.28 2aek h PHE 114 N -0.48 1.22 -0.46 -3.82 3.57 -1.88 -0.56 116.94 114.52 2aek h PHE 114 Ca 0.03 -0.10 -0.11 0.00 3.53 0.00 0.00 57.97 61.33 2aek h PHE 114 Cb 0.58 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 2aek h PHE 114 CO -0.59 0.92 -0.14 -0.44 -2.23 0.00 0.00 178.31 175.83 2aek h ASP 115 N 1.16 0.87 -0.32 0.41 3.32 -1.88 -0.05 116.42 119.93 2aek h ASP 115 Ca 0.26 -0.29 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 2aek h ASP 115 Cb 0.23 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2aek h ASP 115 CO -0.02 1.01 -0.23 0.44 -1.72 0.00 0.00 179.24 178.73 2aek h ASP 116 N 0.77 0.75 -0.17 6.45 3.32 -1.13 -2.14 116.42 124.27 2aek h ASP 116 Ca 0.12 -0.44 0.04 0.00 0.02 0.00 0.00 57.03 56.77 2aek h ASP 116 Cb 0.66 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 2aek h ASP 116 CO 0.05 1.03 -0.07 0.25 -1.72 0.00 0.00 179.24 178.78 2aek h LEU 117 N 0.48 -0.25 -1.27 1.55 5.85 -0.74 0.13 115.31 121.06 2aek h LEU 117 Ca 0.06 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 2aek h LEU 117 Cb 0.78 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 2aek h LEU 117 CO 0.06 -0.10 -0.29 -0.61 -0.34 0.00 0.00 178.44 177.16 2aek h GLN 118 N -0.05 0.00 -0.00 1.25 5.75 -1.03 -2.85 115.11 118.18 2aek h GLN 118 Ca 0.09 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 2aek h GLN 118 Cb 0.19 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.74 2aek h GLN 118 CO -0.20 0.29 -0.46 0.00 -2.65 0.00 0.00 178.83 175.82 2aek n ALA 119 N -2.32 3.44 -1.38 3.38 0.00 -0.79 -4.95 120.51 117.90 2aek n ALA 119 Ca -0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 53.44 53.08 2aek n ALA 119 Cb 0.41 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 2aek n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aek n GLY 120 N 1.50 0.46 3.84 0.00 0.00 0.32 -5.03 105.19 106.27 2aek n GLY 120 Ca 0.06 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 2aek n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aek s ARG 121 N -2.80 3.95 0.28 1.61 0.52 -0.43 -5.02 118.95 117.06 2aek s ARG 121 Ca 0.00 0.44 -0.30 0.00 -0.52 0.00 0.00 55.73 55.35 2aek s ARG 121 Cb 0.00 -3.06 -0.13 0.00 0.52 0.00 0.00 34.95 32.28 2aek s ARG 121 CO 0.00 0.57 1.36 -1.91 0.02 0.00 0.00 175.30 175.34 2aek n GLU 122 N 1.20 2.08 -1.15 3.54 2.13 -1.26 -4.48 120.64 122.70 2aek n GLU 122 Ca -0.09 0.74 -0.33 0.00 0.66 0.00 0.00 57.16 58.14 2aek n GLU 122 Cb 0.52 -2.36 0.12 0.00 0.27 0.00 0.00 31.44 29.99 2aek n GLU 122 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2aek s GLN 123 N -1.01 1.74 0.03 5.31 -1.52 -1.26 -4.95 119.66 118.00 2aek s GLN 123 Ca 0.63 1.64 -0.18 0.00 -1.95 0.00 0.00 55.36 55.50 2aek s GLN 123 Cb -0.61 -1.80 -0.24 0.00 -0.22 0.00 0.00 33.01 30.13 2aek s GLN 123 CO 0.55 -2.11 1.12 0.00 -0.25 0.00 0.00 175.29 174.59 2aek h ALA 124 N -0.94 0.08 -2.05 6.09 0.00 -1.91 -3.42 119.26 117.10 2aek h ALA 124 Ca -0.46 -0.64 -0.56 0.00 0.00 0.00 0.00 54.91 53.25 2aek h ALA 124 Cb 1.28 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 2aek h ALA 124 CO 0.47 0.49 1.07 -1.58 0.00 0.00 0.00 179.25 179.70 2aek s HIS 125 N -3.18 2.29 0.32 0.00 5.04 -1.26 -4.89 115.29 113.62 2aek s HIS 125 Ca -0.12 0.62 0.10 0.00 -1.54 0.00 0.00 55.06 54.13 2aek s HIS 125 Cb 0.05 -3.91 0.92 0.00 0.04 0.00 0.00 32.58 29.68 2aek s HIS 125 CO 0.87 -2.65 1.72 -1.00 -2.34 0.00 0.00 174.74 171.34 2aek h PRO 126 N 10.04 0.52 0.48 2.88 0.13 -1.89 -1.45 132.00 142.70 2aek h PRO 126 Ca -0.32 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.76 2aek h PRO 126 Cb 1.14 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 2aek h PRO 126 CO 1.00 0.34 -0.42 2.35 -0.23 0.00 0.00 178.00 181.04 2aek h TRP 127 N 0.53 -1.16 -0.75 1.56 7.01 -1.90 0.21 115.95 121.45 2aek h TRP 127 Ca 0.66 0.00 0.16 0.00 2.11 0.00 0.00 58.89 61.83 2aek h TRP 127 Cb 1.31 0.44 -0.11 0.00 -2.10 0.00 0.00 29.16 28.70 2aek h TRP 127 CO -0.01 -0.58 0.21 -1.49 -2.79 0.00 0.00 178.44 173.79 2aek h TRP 128 N -0.88 0.34 -0.53 2.65 -0.00 -1.70 0.90 115.95 116.72 2aek h TRP 128 Ca -0.06 0.04 0.10 0.00 -0.00 0.00 0.00 58.89 58.97 2aek h TRP 128 Cb 0.75 -0.03 -0.08 0.00 -0.00 0.00 0.00 29.16 29.79 2aek h TRP 128 CO -0.19 -0.06 0.03 0.00 -0.00 0.00 0.00 178.44 178.22 2aek h ALA 129 N 1.61 0.54 0.48 1.49 0.00 -0.56 0.11 119.26 122.93 2aek h ALA 129 Ca 0.43 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.46 2aek h ALA 129 Cb 0.73 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2aek h ALA 129 CO -0.50 -0.36 -0.23 -0.07 0.00 0.00 0.00 179.25 178.09 2aek h LEU 130 N 0.15 -0.54 -0.66 0.00 3.38 0.11 -3.05 115.31 114.71 2aek h LEU 130 Ca 0.27 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.39 2aek h LEU 130 Cb 0.41 0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.19 2aek h LEU 130 CO -0.42 -0.12 0.05 0.58 0.09 0.00 0.00 178.44 178.62 2aek h VAL 131 N -1.16 0.48 0.00 1.22 2.07 -0.83 -0.28 116.25 117.75 2aek h VAL 131 Ca -0.07 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 2aek h VAL 131 Cb 0.50 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2aek h VAL 131 CO 0.11 0.03 -0.30 0.78 0.02 0.00 0.00 177.57 178.20 2aek h ASN 132 N 0.16 0.00 0.03 0.57 2.35 -0.90 0.47 115.58 118.26 2aek h ASN 132 Ca 0.35 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.89 2aek h ASN 132 Cb 0.59 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.96 2aek h ASN 132 CO -0.53 0.30 -0.79 -0.08 -1.65 0.00 0.00 177.43 174.68 2aek h GLU 133 N 0.00 0.63 0.06 0.81 4.81 -1.10 -3.28 114.58 116.50 2aek h GLU 133 Ca -0.00 -0.53 -0.25 0.00 -0.13 0.00 0.00 59.36 58.44 2aek h GLU 133 Cb 0.68 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 2aek h GLU 133 CO 0.04 1.15 -1.22 1.25 -0.73 0.00 0.00 179.01 179.50 2aek h HIS 134 N 0.42 0.22 -0.79 0.92 2.76 -0.65 -3.39 115.15 114.64 2aek h HIS 134 Ca -0.05 -0.16 0.24 0.00 -2.20 0.00 0.00 60.37 58.20 2aek h HIS 134 Cb 1.40 -0.01 -0.15 0.00 1.55 0.00 0.00 27.41 30.21 2aek h HIS 134 CO 0.07 1.14 0.10 0.34 -1.30 0.00 0.00 177.93 178.29 2aek n PHE 135 N -3.39 0.59 -0.20 5.26 -0.00 0.16 -0.88 117.46 119.00 2aek n PHE 135 Ca -0.07 0.94 0.16 0.00 -0.00 0.00 0.00 57.45 58.49 2aek n PHE 135 Cb 0.99 -1.15 0.50 0.00 -0.00 0.00 0.00 39.48 39.82 2aek n PHE 135 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 2aek h PRO 136 N 0.00 0.42 0.00 -7.13 0.11 -1.79 0.27 132.00 123.87 2aek h PRO 136 Ca 0.52 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.59 2aek h PRO 136 Cb 1.15 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2aek h PRO 136 CO -0.71 0.28 -0.07 -0.91 -0.21 0.00 0.00 178.00 176.38 2aek h ASN 137 N 0.43 0.00 0.00 -2.05 -0.26 -1.32 -0.13 115.58 112.25 2aek h ASN 137 Ca 0.41 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 56.07 2aek h ASN 137 Cb 0.95 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.19 2aek h ASN 137 CO -0.14 0.07 -0.69 0.58 -1.06 0.00 0.00 177.43 176.18 2aek h VAL 138 N 0.00 0.39 -0.28 2.81 2.07 -0.71 -3.39 116.25 117.15 2aek h VAL 138 Ca -0.00 -1.46 0.08 0.00 0.82 0.00 0.00 66.70 66.14 2aek h VAL 138 Cb 0.19 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2aek h VAL 138 CO 0.01 0.13 0.36 -0.07 0.02 0.00 0.00 177.57 178.03 2aek h LEU 139 N -1.00 0.00 -2.28 2.57 3.38 -0.79 -2.07 115.31 115.13 2aek h LEU 139 Ca -0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2aek h LEU 139 Cb 0.76 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 2aek h LEU 139 CO -0.07 0.00 -0.05 0.08 0.09 0.00 0.00 178.44 178.49 2aek h ARG 140 N 0.00 0.00 0.00 1.13 0.11 -1.21 -1.91 114.38 112.50 2aek h ARG 140 Ca 0.13 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.21 2aek h ARG 140 Cb 0.86 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.94 2aek h ARG 140 CO -0.00 0.05 0.00 0.72 0.10 0.00 0.00 179.97 180.84 2aek n HIS 141 N -3.68 0.00 -4.42 4.08 8.25 -0.78 -4.90 115.22 113.77 2aek n HIS 141 Ca -0.02 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.22 2aek n HIS 141 Cb 0.15 -0.41 -0.10 0.00 1.12 0.00 0.00 29.99 30.74 2aek n HIS 141 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2aek s PHE 142 N -2.82 1.95 0.93 4.41 0.40 -0.72 -0.40 117.98 121.73 2aek s PHE 142 Ca 0.19 -0.67 -0.14 0.00 -0.60 0.00 0.00 56.93 55.71 2aek s PHE 142 Cb 0.19 -1.09 0.16 0.00 0.51 0.00 0.00 43.02 42.78 2aek s PHE 142 CO 0.48 0.30 1.19 0.20 0.70 0.00 0.00 175.22 178.09 2aek s GLY 143 N -3.44 1.63 0.21 4.36 0.00 -1.26 -4.78 107.32 104.04 2aek s GLY 143 Ca 0.29 -0.76 -0.10 0.00 0.00 0.00 0.00 44.72 44.15 2aek s GLY 143 CO 0.12 -0.13 1.88 -0.56 0.00 0.00 0.00 173.10 174.40 2aek h PRO 144 N -1.55 1.05 0.24 2.90 0.13 -1.98 -0.57 132.00 132.21 2aek h PRO 144 Ca -0.47 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 64.57 2aek h PRO 144 Cb 1.30 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2aek h PRO 144 CO 0.54 0.70 -0.12 0.35 -0.23 0.00 0.00 178.00 179.25 2aek h PHE 145 N 1.07 -0.30 -0.89 1.56 3.57 -1.98 0.01 116.94 119.98 2aek h PHE 145 Ca 0.29 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.80 2aek h PHE 145 Cb -0.11 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 2aek h PHE 145 CO -0.02 -0.12 0.59 0.00 -2.23 0.00 0.00 178.31 176.54 2aek h SER 147 N 1.19 0.71 -0.77 0.00 0.02 -0.75 -1.55 113.55 112.40 2aek h SER 147 Ca 0.33 -0.08 0.06 0.00 -0.84 0.00 0.00 61.79 61.27 2aek h SER 147 Cb -0.10 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 62.20 2aek h SER 147 CO -0.08 0.58 0.45 0.25 -1.14 0.00 0.00 176.83 176.90 2aek h LEU 148 N 0.78 0.69 -0.54 5.07 5.85 -0.46 -0.66 115.31 126.05 2aek h LEU 148 Ca 0.21 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 2aek h LEU 148 Cb 0.02 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2aek h LEU 148 CO -0.04 0.44 0.32 0.78 -0.34 0.00 0.00 178.44 179.60 2aek h ASN 149 N 0.82 0.65 -0.41 1.25 2.35 -0.84 -1.11 115.58 118.29 2aek h ASN 149 Ca 0.34 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 56.02 2aek h ASN 149 Cb 0.20 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 2aek h ASN 149 CO -0.18 0.53 0.24 -0.07 -1.65 0.00 0.00 177.43 176.29 2aek h LEU 150 N 0.72 0.50 -0.09 1.61 4.07 -0.48 -2.03 115.31 119.61 2aek h LEU 150 Ca 0.19 -0.07 0.02 0.00 0.08 0.00 0.00 57.88 58.11 2aek h LEU 150 Cb 0.00 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.60 2aek h LEU 150 CO -0.03 0.42 -0.03 0.40 -1.08 0.00 0.00 178.44 178.11 2aek h ILE 151 N 0.54 0.88 0.92 1.22 2.04 -0.82 -2.01 117.51 120.28 2aek h ILE 151 Ca 0.15 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.96 2aek h ILE 151 Cb 0.02 0.88 0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2aek h ILE 151 CO -0.03 0.00 -0.46 0.03 0.00 0.00 0.00 178.15 177.69 2aek h ARG 152 N -0.02 -1.22 -0.92 2.37 3.08 -1.09 -2.06 114.38 114.53 2aek h ARG 152 Ca 0.05 0.08 0.25 0.00 0.07 0.00 0.00 59.98 60.43 2aek h ARG 152 Cb 0.09 0.28 -0.14 0.00 0.08 0.00 0.00 29.97 30.28 2aek h ARG 152 CO -0.11 -0.81 0.38 1.03 -1.07 0.00 0.00 179.97 179.39 2aek h SER 153 N -1.26 0.25 -0.60 7.04 0.87 -1.36 0.38 113.55 118.87 2aek h SER 153 Ca -0.13 0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.56 2aek h SER 153 Cb 0.98 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 2aek h SER 153 CO 0.19 -0.09 0.17 0.74 -0.53 0.00 0.00 176.83 177.31 2aek h THR 154 N 0.31 1.25 -0.29 2.23 2.02 -1.20 0.21 112.91 117.44 2aek h THR 154 Ca 0.60 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 2aek h THR 154 Cb 1.23 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 2aek h THR 154 CO -0.60 0.32 0.13 0.25 0.37 0.00 0.00 175.52 176.00 2aek h LEU 155 N 0.85 0.39 -0.68 2.58 5.85 0.25 -0.88 115.31 123.68 2aek h LEU 155 Ca 0.19 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.84 2aek h LEU 155 Cb 0.31 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 2aek h LEU 155 CO -0.00 0.41 0.37 0.44 -0.34 0.00 0.00 178.44 179.32 2aek h ASP 156 N 0.33 0.55 -0.99 1.25 5.19 -0.12 -1.87 116.42 120.76 2aek h ASP 156 Ca 0.10 0.03 0.02 0.00 -0.62 0.00 0.00 57.03 56.56 2aek h ASP 156 Cb 0.13 -0.07 -0.05 0.00 0.18 0.00 0.00 39.33 39.52 2aek h ASP 156 CO -0.01 0.35 0.65 0.15 -3.12 0.00 0.00 179.24 177.26 2aek h PHE 157 N 0.69 1.24 -0.71 4.55 3.57 0.13 -0.05 116.94 126.35 2aek h PHE 157 Ca 0.31 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 2aek h PHE 157 Cb 0.20 -0.42 -0.03 0.00 2.79 0.00 0.00 35.95 38.49 2aek h PHE 157 CO -0.08 0.76 0.39 0.35 -2.23 0.00 0.00 178.31 177.50 2aek h PHE 158 N 1.32 0.96 -0.23 0.41 3.57 -0.36 -0.74 116.94 121.87 2aek h PHE 158 Ca 0.37 -0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.71 2aek h PHE 158 Cb -0.11 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.32 2aek h PHE 158 CO -0.00 0.67 -0.44 1.49 -2.23 0.00 0.00 178.31 177.80 2aek h GLU 159 N 0.99 0.70 -0.48 1.11 4.81 -1.06 -2.62 114.58 118.02 2aek h GLU 159 Ca 0.25 -0.45 0.08 0.00 -0.13 0.00 0.00 59.36 59.11 2aek h GLU 159 Cb 0.03 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.40 2aek h GLU 159 CO -0.04 1.07 0.12 0.78 -0.73 0.00 0.00 179.01 180.21 2aek h GLY 160 N 0.42 0.61 1.02 1.92 0.00 -0.37 0.22 103.07 106.88 2aek h GLY 160 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2aek h GLY 160 CO 0.10 -0.04 0.53 0.00 0.00 0.00 0.00 176.54 177.13 2aek h TRP 162 N 1.21 -0.32 -0.72 0.00 2.91 -0.82 -1.58 115.95 116.62 2aek h TRP 162 Ca 0.31 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.31 2aek h TRP 162 Cb -0.05 0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 28.72 2aek h TRP 162 CO 0.00 -0.19 0.29 0.82 -1.03 0.00 0.00 178.44 178.33 2aek h ILE 163 N -0.19 1.25 0.00 2.65 2.04 -0.54 -2.40 117.51 120.33 2aek h ILE 163 Ca 0.06 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 2aek h ILE 163 Cb 0.27 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2aek h ILE 163 CO -0.16 0.31 -0.02 -0.33 0.00 0.00 0.00 178.15 177.95 2aek h GLU 164 N 1.03 0.00 0.00 2.37 5.08 -0.26 -1.33 114.58 121.47 2aek h GLU 164 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2aek h GLU 164 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2aek h GLU 164 CO -0.02 0.02 0.00 1.96 -1.00 0.00 0.00 179.01 179.97 2aek h GLN 165 N 0.00 0.00 -0.19 2.33 4.20 -0.76 -0.59 115.11 120.09 2aek h GLN 165 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2aek h GLN 165 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2aek h GLN 165 CO 0.00 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.82 2aek n TYR 166 N -2.43 0.24 -4.33 2.96 4.02 -0.50 -4.95 117.16 112.17 2aek n TYR 166 Ca -0.01 -0.12 -0.35 0.00 -0.01 0.00 0.00 57.90 57.41 2aek n TYR 166 Cb 0.07 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.31 2aek n TYR 166 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2aek n ASN 167 N 0.78 -0.82 -4.56 7.72 3.02 -0.23 -4.89 115.26 116.27 2aek n ASN 167 Ca 0.17 -1.19 -0.39 0.00 -0.03 0.00 0.00 54.58 53.14 2aek n ASN 167 Cb 0.45 -1.97 -0.11 0.00 -0.61 0.00 0.00 39.78 37.54 2aek n ASN 167 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2aek s PHE 168 N -3.78 3.21 -2.01 3.10 5.36 -1.26 -4.88 117.98 117.72 2aek s PHE 168 Ca 0.40 -0.03 0.11 0.00 -0.96 0.00 0.00 56.93 56.45 2aek s PHE 168 Cb -0.23 -2.40 0.32 0.00 -0.34 0.00 0.00 43.02 40.37 2aek s PHE 168 CO 0.98 -0.24 1.26 0.41 -1.46 0.00 0.00 175.22 176.18 2aek n GLY 169 N 5.06 0.62 0.00 13.12 0.00 -1.26 -5.01 105.19 117.72 2aek n GLY 169 Ca -0.14 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2aek n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aek n GLY 170 N 1.06 0.60 3.75 -0.02 0.00 -1.26 -4.04 105.19 105.27 2aek n GLY 170 Ca 0.12 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.09 2aek n GLY 170 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2aek s PHE 171 N -2.76 3.72 0.17 1.61 0.08 -1.26 -4.54 117.98 115.00 2aek s PHE 171 Ca 0.00 1.77 -0.33 0.00 0.12 0.00 0.00 56.93 58.49 2aek s PHE 171 Cb 0.00 -3.18 -0.13 0.00 -0.57 0.00 0.00 43.02 39.14 2aek s PHE 171 CO 0.00 -0.21 1.65 -2.30 -0.10 0.00 0.00 175.22 174.26 2aek n PRO 172 N 1.38 2.40 0.00 0.24 -0.02 -1.26 -0.74 135.00 137.00 2aek n PRO 172 Ca -0.01 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2aek n PRO 172 Cb 0.46 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 2aek n PRO 172 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aek n GLY 173 N 3.67 0.28 2.73 -1.23 0.00 0.61 -4.98 105.19 106.26 2aek n GLY 173 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2aek n GLY 173 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2aek n SER 174 N 0.00 5.34 -0.00 1.61 2.88 0.08 -4.81 113.62 118.73 2aek n SER 174 Ca 0.00 -2.99 0.20 0.00 -1.33 0.00 0.00 58.87 54.76 2aek n SER 174 Cb 0.00 -1.53 0.69 0.00 -0.75 0.00 0.00 64.21 62.62 2aek n SER 174 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2aek h HIS 175 N 5.63 0.00 0.00 0.66 3.86 -1.85 -1.34 115.15 122.11 2aek h HIS 175 Ca 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.73 2aek h HIS 175 Cb 0.57 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.03 2aek h HIS 175 CO 1.41 0.00 0.00 -0.25 0.86 0.00 0.00 177.93 179.95 2aek n ASP 176 N -4.38 0.47 0.21 2.45 8.00 -1.26 -4.23 116.55 117.81 2aek n ASP 176 Ca 0.10 0.55 -0.15 0.00 0.71 0.00 0.00 54.79 56.00 2aek n ASP 176 Cb 0.60 -0.68 -0.08 0.00 -0.02 0.00 0.00 41.12 40.95 2aek n ASP 176 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2aek h TYR 177 N 0.00 -0.47 -0.42 1.24 3.20 -1.65 -2.85 116.97 116.02 2aek h TYR 177 Ca 0.00 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.91 2aek h TYR 177 Cb 0.59 0.16 -0.08 0.00 1.54 0.00 0.00 36.73 38.94 2aek h TYR 177 CO 0.00 -0.23 -0.50 -1.35 -1.64 0.00 0.00 178.16 174.44 2aek h PRO 178 N -0.63 -0.30 0.00 1.82 0.11 -1.76 -0.85 132.00 130.39 2aek h PRO 178 Ca -0.05 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.03 2aek h PRO 178 Cb 0.46 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 2aek h PRO 178 CO 0.09 -0.20 -0.23 1.96 -0.21 0.00 0.00 178.00 179.41 2aek h GLN 179 N -0.31 0.00 -0.23 1.05 4.20 -1.83 -1.41 115.11 116.57 2aek h GLN 179 Ca 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2aek h GLN 179 Cb 0.51 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 2aek h GLN 179 CO -0.56 0.23 0.11 0.35 -0.67 0.00 0.00 178.83 178.28 2aek h PHE 180 N 0.00 0.34 -0.22 2.96 3.57 -1.04 -1.84 116.94 120.71 2aek h PHE 180 Ca -0.00 -0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.31 2aek h PHE 180 Cb 0.61 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.25 2aek h PHE 180 CO 0.00 0.34 -0.53 1.25 -2.23 0.00 0.00 178.31 177.14 2aek h LEU 181 N 0.24 0.84 -0.44 0.59 5.85 -0.96 -2.28 115.31 119.15 2aek h LEU 181 Ca 0.08 -0.57 0.01 0.00 0.84 0.00 0.00 57.88 58.25 2aek h LEU 181 Cb 0.13 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2aek h LEU 181 CO -0.01 1.25 0.28 -0.09 -0.34 0.00 0.00 178.44 179.53 2aek h ARG 182 N 0.46 0.54 -0.47 1.25 9.65 -1.19 -1.18 114.38 123.45 2aek h ARG 182 Ca -0.00 -0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 58.77 2aek h ARG 182 Cb 1.14 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.58 2aek h ARG 182 CO 0.11 0.36 -0.01 0.00 2.80 0.00 0.00 179.97 183.23 2aek h ARG 183 N 0.56 0.78 -0.85 0.20 3.08 -1.38 -0.12 114.38 116.65 2aek h ARG 183 Ca 0.17 -0.21 0.09 0.00 0.07 0.00 0.00 59.98 60.09 2aek h ARG 183 Cb -0.03 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 29.88 2aek h ARG 183 CO -0.06 0.79 0.55 1.98 -1.07 0.00 0.00 179.97 182.17 2aek h MET 184 N 0.73 0.83 -0.03 0.04 4.05 -0.62 -2.97 114.93 116.96 2aek h MET 184 Ca 0.14 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.51 2aek h MET 184 Cb 0.46 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 2aek h MET 184 CO 0.02 0.55 0.00 0.27 0.23 0.00 0.00 176.91 177.98 2aek n ASN 185 N -4.51 2.43 0.04 1.39 0.23 -0.86 -2.58 115.26 111.42 2aek n ASN 185 Ca 0.14 -2.89 0.12 0.00 -0.53 0.00 0.00 54.58 51.42 2aek n ASN 185 Cb 0.28 -0.37 0.28 0.00 -2.08 0.00 0.00 39.78 37.89 2aek n ASN 185 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2aek n GLY 186 N -1.18 -1.43 2.35 4.83 0.00 -0.08 -4.92 105.19 104.77 2aek n GLY 186 Ca 0.14 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 2aek n GLY 186 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aek n LEU 187 N -1.90 -1.32 -0.16 0.99 4.77 -1.26 -4.84 117.00 113.28 2aek n LEU 187 Ca 0.05 0.39 -0.03 0.00 -0.03 0.00 0.00 56.01 56.39 2aek n LEU 187 Cb 0.40 -2.50 0.04 0.00 -2.33 0.00 0.00 43.42 39.03 2aek n LEU 187 CO 0.34 -0.83 0.78 1.23 -1.33 0.00 0.00 177.39 177.57 2aek h GLY 188 N 0.00 0.39 2.00 -0.72 0.00 -1.84 0.47 103.07 103.37 2aek h GLY 188 Ca -0.37 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 2aek h GLY 188 CO 0.52 -0.19 -0.00 0.45 0.00 0.00 0.00 176.54 177.32 2aek h HIS 189 N 0.02 0.00 -0.00 5.60 3.86 -1.88 -0.36 115.15 122.39 2aek h HIS 189 Ca 0.25 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.43 2aek h HIS 189 Cb 0.38 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.85 2aek h HIS 189 CO -0.41 0.00 -0.10 0.00 0.86 0.00 0.00 177.93 178.28 2aek h VAL 191 N -0.64 0.49 -1.00 0.00 2.07 -0.85 -1.69 116.25 114.63 2aek h VAL 191 Ca -0.01 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.70 2aek h VAL 191 Cb 0.85 0.49 -0.11 0.00 -1.52 0.00 0.00 31.29 31.01 2aek h VAL 191 CO 0.02 0.00 0.61 1.23 0.02 0.00 0.00 177.57 179.45 2aek h GLY 192 N -0.69 1.78 1.31 2.17 0.00 -1.15 -2.07 103.07 104.42 2aek h GLY 192 Ca -0.07 -0.36 -0.13 0.00 0.00 0.00 0.00 47.33 46.77 2aek h GLY 192 CO 0.11 -0.07 -1.08 0.00 0.00 0.00 0.00 176.54 175.50 2aek h ALA 193 N 1.65 0.65 0.00 3.60 0.00 -1.37 -3.30 119.26 120.48 2aek h ALA 193 Ca 0.58 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2aek h ALA 193 Cb 0.93 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2aek h ALA 193 CO -0.38 0.74 0.00 -1.13 0.00 0.00 0.00 179.25 178.47 2aek n SER 194 N -2.98 0.00 -0.01 0.00 3.41 -0.64 -2.60 113.62 110.80 2aek n SER 194 Ca -0.05 -0.25 0.15 0.00 -0.26 0.00 0.00 58.87 58.45 2aek n SER 194 Cb 0.78 -0.18 0.72 0.00 -0.26 0.00 0.00 64.21 65.26 2aek n SER 194 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2aek n LEU 195 N -1.18 0.06 -3.38 1.04 4.77 -1.15 -4.46 117.00 112.69 2aek n LEU 195 Ca 0.12 0.28 -0.26 0.00 -0.03 0.00 0.00 56.01 56.11 2aek n LEU 195 Cb 0.14 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 40.85 2aek n LEU 195 CO 0.15 0.01 0.00 0.79 -1.33 0.00 0.00 177.39 177.01 2aek n TRP 196 N -1.28 2.88 -1.71 -1.77 7.02 -1.07 -4.99 117.44 116.51 2aek n TRP 196 Ca 0.13 -4.04 -0.42 0.00 -1.02 0.00 0.00 57.50 52.15 2aek n TRP 196 Cb 0.26 -0.52 -0.01 0.00 -2.42 0.00 0.00 31.31 28.62 2aek n TRP 196 CO 0.00 0.00 0.00 -2.30 -2.02 0.00 0.00 177.69 173.37 2aek n PRO 197 N 0.97 2.22 0.13 -0.99 -0.02 -1.26 -4.73 135.00 131.31 2aek n PRO 197 Ca 0.28 0.78 0.11 0.00 -2.02 0.00 0.00 63.50 62.65 2aek n PRO 197 Cb 0.43 -2.39 0.50 0.00 -0.02 0.00 0.00 33.50 32.02 2aek n PRO 197 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2aek n LYS 198 N 0.54 0.17 0.11 -0.52 2.85 0.46 -1.53 118.16 120.24 2aek n LYS 198 Ca 0.04 0.46 -0.01 0.00 -1.05 0.00 0.00 58.31 57.76 2aek n LYS 198 Cb 0.36 -1.87 0.27 0.00 -0.65 0.00 0.00 35.03 33.15 2aek n LYS 198 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2aek h GLU 199 N 0.00 0.22 0.00 -1.58 4.81 -1.89 -3.27 114.58 112.87 2aek h GLU 199 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2aek h GLU 199 Cb 0.28 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2aek h GLU 199 CO 0.00 0.54 0.00 0.00 -0.73 0.00 0.00 179.01 178.82 2aek n GLN 200 N -4.09 2.19 -3.80 1.92 0.00 -0.94 -5.05 117.38 107.62 2aek n GLN 200 Ca -0.01 -1.24 -0.13 0.00 0.00 0.00 0.00 57.00 55.62 2aek n GLN 200 Cb 0.43 -0.90 -0.11 0.00 0.00 0.00 0.00 30.24 29.66 2aek n GLN 200 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 2aek s PHE 201 N -0.75 -0.21 -0.50 2.61 0.40 -0.58 -4.99 117.98 113.97 2aek s PHE 201 Ca 0.00 0.50 -0.15 0.00 -0.60 0.00 0.00 56.93 56.68 2aek s PHE 201 Cb 0.00 0.07 0.10 0.00 0.51 0.00 0.00 43.02 43.70 2aek s PHE 201 CO 0.00 -0.19 0.43 1.21 0.70 0.00 0.00 175.22 177.36 2aek s ASN 202 N -0.30 6.11 0.38 1.36 3.84 -1.26 -4.27 114.94 120.80 2aek s ASN 202 Ca -0.04 -1.55 0.15 0.00 0.21 0.00 0.00 52.86 51.63 2aek s ASN 202 Cb -0.03 -2.17 1.01 0.00 -0.55 0.00 0.00 41.25 39.50 2aek s ASN 202 CO 0.01 -0.73 1.80 -0.08 -2.79 0.00 0.00 177.10 175.32 2aek h GLU 203 N 8.77 0.48 0.12 0.43 4.81 -1.92 0.30 114.58 127.58 2aek h GLU 203 Ca -0.28 -0.03 -0.23 0.00 -0.13 0.00 0.00 59.36 58.69 2aek h GLU 203 Cb 1.10 -0.11 0.02 0.00 0.63 0.00 0.00 28.75 30.40 2aek h GLU 203 CO 0.93 0.32 -0.96 0.00 -0.73 0.00 0.00 179.01 178.57 2aek h ARG 204 N 0.49 0.43 -0.27 1.92 3.08 -1.97 -1.34 114.38 116.72 2aek h ARG 204 Ca 0.55 -0.63 -0.11 0.00 0.07 0.00 0.00 59.98 59.85 2aek h ARG 204 Cb 1.23 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 31.49 2aek h ARG 204 CO -0.27 1.27 -0.30 0.77 -1.07 0.00 0.00 179.97 180.37 2aek h SER 205 N -0.09 0.56 -0.40 7.04 0.02 -1.74 -3.11 113.55 115.83 2aek h SER 205 Ca -0.15 -0.21 -0.12 0.00 -0.84 0.00 0.00 61.79 60.46 2aek h SER 205 Cb 1.71 -0.16 -0.07 0.00 0.14 0.00 0.00 62.40 64.02 2aek h SER 205 CO 0.18 0.84 0.05 0.18 -1.14 0.00 0.00 176.83 176.94 2aek n LEU 206 N -4.08 4.44 -0.18 5.07 4.77 0.99 -4.77 117.00 123.24 2aek n LEU 206 Ca -0.01 -3.35 -0.01 0.00 -0.03 0.00 0.00 56.01 52.61 2aek n LEU 206 Cb 0.45 -0.62 0.07 0.00 -2.33 0.00 0.00 43.42 40.99 2aek n LEU 206 CO 0.43 0.92 0.82 0.15 -1.33 0.00 0.00 177.39 178.38 2aek h PHE 207 N 1.60 -0.10 -0.53 -1.77 3.57 -1.16 0.11 116.94 118.66 2aek h PHE 207 Ca 0.15 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.59 2aek h PHE 207 Cb 1.73 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 40.57 2aek h PHE 207 CO 0.86 -0.16 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.64 2aek h LEU 208 N 0.09 0.95 -0.15 0.59 3.38 -1.86 -0.19 115.31 118.11 2aek h LEU 208 Ca 0.28 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2aek h LEU 208 Cb 0.44 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2aek h LEU 208 CO -0.49 1.04 -0.33 1.05 0.09 0.00 0.00 178.44 179.80 2aek h GLU 209 N 0.87 0.49 -0.21 1.13 9.09 -1.76 -1.78 114.58 122.41 2aek h GLU 209 Ca 0.15 -0.33 0.02 0.00 0.05 0.00 0.00 59.36 59.25 2aek h GLU 209 Cb 0.60 0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 27.72 2aek h GLU 209 CO 0.04 0.94 0.06 0.82 0.05 0.00 0.00 179.01 180.92 2aek h ILE 210 N 0.12 0.93 -0.12 -1.06 2.04 -0.72 0.51 117.51 119.22 2aek h ILE 210 Ca 0.00 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 65.85 2aek h ILE 210 Cb 0.93 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 2aek h ILE 210 CO 0.07 0.03 -0.15 0.74 0.00 0.00 0.00 178.15 178.84 2aek h THR 211 N 0.16 0.60 -0.85 -0.27 2.02 -1.02 0.23 112.91 113.77 2aek h THR 211 Ca 0.09 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.30 2aek h THR 211 Cb 0.07 0.60 -0.05 0.00 -1.74 0.00 0.00 68.15 67.03 2aek h THR 211 CO -0.11 0.00 0.56 0.28 0.37 0.00 0.00 175.52 176.62 2aek h SER 212 N -0.19 0.93 -0.19 4.18 0.02 -0.80 -0.51 113.55 116.98 2aek h SER 212 Ca 0.09 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2aek h SER 212 Cb 0.32 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2aek h SER 212 CO -0.23 0.64 0.09 0.00 -1.14 0.00 0.00 176.83 176.20 2aek h ALA 213 N 1.50 0.24 -0.01 3.77 0.00 0.13 -0.67 119.26 124.22 2aek h ALA 213 Ca 0.33 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.18 2aek h ALA 213 Cb -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2aek h ALA 213 CO -0.09 -0.20 -0.08 0.82 0.00 0.00 0.00 179.25 179.69 2aek h ILE 214 N 0.18 0.78 -0.37 0.00 2.04 0.22 0.36 117.51 120.72 2aek h ILE 214 Ca 0.07 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.99 2aek h ILE 214 Cb 0.11 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 2aek h ILE 214 CO -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 178.13 2aek h ALA 215 N 0.86 0.33 0.17 1.87 0.00 -0.89 -1.53 119.26 120.08 2aek h ALA 215 Ca 0.04 0.11 -0.30 0.00 0.00 0.00 0.00 54.91 54.76 2aek h ALA 215 Cb 0.19 0.19 0.03 0.00 0.00 0.00 0.00 17.79 18.20 2aek h ALA 215 CO -0.10 -0.40 -1.29 1.96 0.00 0.00 0.00 179.25 179.43 2aek h GLN 216 N 0.09 0.57 -0.93 0.00 4.20 -0.95 -3.33 115.11 114.77 2aek h GLN 216 Ca 0.18 -0.84 -0.01 0.00 0.06 0.00 0.00 58.65 58.04 2aek h GLN 216 Cb 0.26 0.29 -0.04 0.00 0.30 0.00 0.00 27.48 28.29 2aek h GLN 216 CO -0.31 1.39 0.56 1.98 -0.67 0.00 0.00 178.83 181.78 2aek h MET 217 N 0.18 1.26 -0.68 1.46 4.05 -0.21 -2.88 114.93 118.11 2aek h MET 217 Ca -0.21 -0.12 0.14 0.00 -0.28 0.00 0.00 59.70 59.24 2aek h MET 217 Cb 1.98 -0.26 -0.12 0.00 -0.80 0.00 0.00 31.60 32.39 2aek h MET 217 CO 0.24 0.88 -0.06 1.49 0.23 0.00 0.00 176.91 179.70 2aek h GLU 218 N 1.28 0.06 0.06 0.39 4.81 -1.38 -0.22 114.58 119.58 2aek h GLU 218 Ca 0.33 -0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.30 2aek h GLU 218 Cb -0.05 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.33 2aek h GLU 218 CO -0.06 0.04 -1.09 -0.91 -0.73 0.00 0.00 179.01 176.26 2aek h ASN 219 N 0.06 0.64 0.40 1.04 2.35 -1.71 -3.09 115.58 115.27 2aek h ASN 219 Ca 0.35 -0.56 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 2aek h ASN 219 Cb 0.57 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.75 2aek h ASN 219 CO -0.63 1.38 -0.19 -0.25 -1.65 0.00 0.00 177.43 176.08 2aek h TRP 220 N 0.23 -0.50 -0.36 1.19 7.01 -1.20 -1.25 115.95 121.07 2aek h TRP 220 Ca -0.12 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 60.93 2aek h TRP 220 Cb 1.75 0.17 -0.06 0.00 -2.10 0.00 0.00 29.16 28.91 2aek h TRP 220 CO 0.08 -0.29 -0.06 1.98 -2.79 0.00 0.00 178.44 177.36 2aek h MET 221 N -0.58 0.03 -0.35 2.65 4.05 -1.17 0.68 114.93 120.24 2aek h MET 221 Ca -0.06 -0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.26 2aek h MET 221 Cb 0.44 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 2aek h MET 221 CO 0.09 0.02 -0.18 -0.39 0.23 0.00 0.00 176.91 176.68 2aek h VAL 222 N 0.03 1.29 -0.54 -5.77 -1.51 -1.47 -2.24 116.25 106.04 2aek h VAL 222 Ca 0.17 -1.30 -0.09 0.00 -1.23 0.00 0.00 66.70 64.25 2aek h VAL 222 Cb 0.26 1.38 -0.02 0.00 -2.13 0.00 0.00 31.29 30.78 2aek h VAL 222 CO -0.34 0.43 -0.01 -0.50 -1.23 0.00 0.00 177.57 175.91 2aek h TRP 223 N 0.52 1.05 -0.81 5.19 6.55 -0.93 0.17 115.95 127.69 2aek h TRP 223 Ca 0.08 -0.19 -0.01 0.00 0.95 0.00 0.00 58.89 59.72 2aek h TRP 223 Cb 0.72 -0.27 -0.04 0.00 -0.86 0.00 0.00 29.16 28.71 2aek h TRP 223 CO 0.06 0.96 0.47 0.28 -1.05 0.00 0.00 178.44 179.16 2aek h VAL 224 N 0.83 1.23 -0.25 1.49 2.07 -0.86 0.16 116.25 120.93 2aek h VAL 224 Ca 0.15 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 2aek h VAL 224 Cb 0.55 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2aek h VAL 224 CO 0.03 0.24 -0.03 -1.13 0.02 0.00 0.00 177.57 176.70 2aek h ASN 225 N 1.12 0.46 -0.77 0.57 -0.73 -0.86 -0.79 115.58 114.59 2aek h ASN 225 Ca 0.29 -0.34 0.05 0.00 1.87 0.00 0.00 56.30 58.17 2aek h ASN 225 Cb -0.03 -0.13 -0.05 0.00 0.27 0.00 0.00 38.32 38.39 2aek h ASN 225 CO -0.05 0.70 0.47 0.44 -0.37 0.00 0.00 177.43 178.61 2aek h ASP 226 N 0.22 0.74 0.78 1.15 3.32 -0.07 0.84 116.42 123.41 2aek h ASP 226 Ca 0.07 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 2aek h ASP 226 Cb 0.48 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.89 2aek h ASP 226 CO 0.02 0.49 -0.38 0.25 -1.72 0.00 0.00 179.24 177.90 2aek h LEU 227 N 0.88 -0.89 -2.17 1.55 5.85 -0.83 -1.26 115.31 118.44 2aek h LEU 227 Ca 0.33 0.03 0.06 0.00 0.84 0.00 0.00 57.88 59.13 2aek h LEU 227 Cb 0.11 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2aek h LEU 227 CO -0.15 -0.55 0.28 0.24 -0.34 0.00 0.00 178.44 177.92 2aek h MET 228 N -1.23 0.00 0.00 1.25 2.86 -0.99 0.19 114.93 117.00 2aek h MET 228 Ca -0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2aek h MET 228 Cb 0.81 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.47 2aek h MET 228 CO 0.18 0.00 -0.69 0.77 1.06 0.00 0.00 176.91 178.22 2aek h SER 229 N 0.00 0.00 -0.59 1.22 0.02 -0.62 -3.36 113.55 110.21 2aek h SER 229 Ca 0.09 -0.23 0.17 0.00 -0.84 0.00 0.00 61.79 60.99 2aek h SER 229 Cb 0.66 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 2aek h SER 229 CO -0.00 0.11 0.54 0.15 -1.14 0.00 0.00 176.83 176.49 2aek h PHE 230 N 0.00 0.00 0.00 3.45 3.57 0.61 -2.78 116.94 121.79 2aek h PHE 230 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2aek h PHE 230 Cb 0.75 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.49 2aek h PHE 230 CO 0.00 0.00 0.00 0.98 -2.23 0.00 0.00 178.31 177.06 2aek n TYR 231 N -3.89 0.00 0.00 0.41 9.36 -1.26 -2.43 117.16 119.35 2aek n TYR 231 Ca 0.12 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.34 2aek n TYR 231 Cb 0.77 -0.18 0.00 0.00 -0.63 0.00 0.00 39.34 39.30 2aek n TYR 231 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 2aek n LYS 232 N -1.03 0.00 -0.00 2.98 2.85 -1.14 -1.07 118.16 120.74 2aek n LYS 232 Ca 0.00 0.01 0.04 0.00 -1.05 0.00 0.00 58.31 57.31 2aek n LYS 232 Cb 0.00 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 32.82 2aek n LYS 232 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2aek n GLU 233 N -0.86 1.31 0.31 -1.58 1.02 -1.06 -4.57 120.64 115.21 2aek n GLU 233 Ca 0.00 -0.06 0.19 0.00 -0.02 0.00 0.00 57.16 57.27 2aek n GLU 233 Cb 0.00 -1.12 0.99 0.00 -0.02 0.00 0.00 31.44 31.29 2aek n GLU 233 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2aek h PHE 234 N 0.00 0.00 -1.57 -0.32 3.57 -0.75 -2.71 116.94 115.16 2aek h PHE 234 Ca 0.00 0.00 -0.67 0.00 3.53 0.00 0.00 57.97 60.83 2aek h PHE 234 Cb 0.33 0.00 -0.35 0.00 2.79 0.00 0.00 35.95 38.73 2aek h PHE 234 CO 0.00 0.02 0.17 -0.40 -2.23 0.00 0.00 178.31 175.87 2aek n ASP 235 N -3.31 6.22 -3.17 0.41 5.75 -1.26 -4.90 116.55 116.28 2aek n ASP 235 Ca -0.02 -3.78 0.05 0.00 -0.01 0.00 0.00 54.79 51.03 2aek n ASP 235 Cb 0.15 -0.75 -0.02 0.00 -1.03 0.00 0.00 41.12 39.47 2aek n ASP 235 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2aek s ASP 236 N -2.36 -0.70 0.16 -1.12 2.15 -1.02 -5.00 116.67 108.78 2aek s ASP 236 Ca 0.52 0.48 0.24 0.00 0.43 0.00 0.00 52.55 54.22 2aek s ASP 236 Cb 0.43 1.60 0.26 0.00 -0.30 0.00 0.00 42.92 44.91 2aek s ASP 236 CO -0.24 -0.13 1.27 -0.33 -0.17 0.00 0.00 175.17 175.57 2aek h GLU 237 N 7.95 0.00 -0.30 4.34 5.08 -1.91 -3.37 114.58 126.38 2aek h GLU 237 Ca -0.16 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.23 2aek h GLU 237 Cb 1.16 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 2aek h GLU 237 CO 0.01 0.00 -0.30 0.00 -1.00 0.00 0.00 179.01 177.72 2aek h ARG 238 N 0.00 -0.15 -3.18 2.33 3.08 -1.95 0.27 114.38 114.77 2aek h ARG 238 Ca 0.00 0.01 -0.47 0.00 0.07 0.00 0.00 59.98 59.59 2aek h ARG 238 Cb 0.82 0.03 0.02 0.00 0.08 0.00 0.00 29.97 30.92 2aek h ARG 238 CO 0.00 -0.10 2.87 -0.25 -1.07 0.00 0.00 179.97 181.42 2aek n ASP 239 N -4.13 6.32 0.28 7.04 8.00 -1.26 -4.57 116.55 128.22 2aek n ASP 239 Ca -0.01 -2.41 0.06 0.00 0.71 0.00 0.00 54.79 53.14 2aek n ASP 239 Cb 0.17 -1.27 0.33 0.00 -0.02 0.00 0.00 41.12 40.33 2aek n ASP 239 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 2aek h GLN 240 N 5.62 0.00 -6.31 -1.24 5.75 -0.70 -3.39 115.11 114.84 2aek h GLN 240 Ca 0.61 0.00 -0.69 0.00 -0.15 0.00 0.00 58.65 58.43 2aek h GLN 240 Cb 0.28 0.00 -0.21 0.00 1.07 0.00 0.00 27.48 28.62 2aek h GLN 240 CO 1.49 0.00 -0.74 0.96 -2.65 0.00 0.00 178.83 177.88 2aek s ILE 241 N -3.76 3.28 -0.16 2.39 -4.36 -1.26 -4.77 121.20 112.56 2aek s ILE 241 Ca -0.01 -0.74 -0.33 0.00 -0.26 0.00 0.00 60.65 59.31 2aek s ILE 241 Cb 0.04 -2.34 0.14 0.00 1.25 0.00 0.00 42.46 41.54 2aek s ILE 241 CO 0.11 0.52 1.14 -0.94 0.24 0.00 0.00 174.94 176.01 2aek s SER 242 N -0.97 -0.20 0.25 4.36 1.04 -1.26 -4.98 113.70 111.95 2aek s SER 242 Ca 0.13 0.05 -0.05 0.00 0.48 0.00 0.00 55.95 56.56 2aek s SER 242 Cb -0.11 0.20 0.49 0.00 0.10 0.00 0.00 66.02 66.70 2aek s SER 242 CO 0.03 -0.30 1.64 0.25 0.98 0.00 0.00 173.24 175.84 2aek h LEU 243 N 2.07 -0.25 0.09 2.42 5.85 -1.98 0.38 115.31 123.88 2aek h LEU 243 Ca -0.12 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 2aek h LEU 243 Cb 1.18 0.32 0.00 0.00 0.37 0.00 0.00 40.66 42.53 2aek h LEU 243 CO 0.25 -0.16 -0.04 0.58 -0.34 0.00 0.00 178.44 178.73 2aek h VAL 244 N 0.14 1.15 -0.46 1.05 2.07 -1.95 -1.79 116.25 116.45 2aek h VAL 244 Ca 0.44 -1.01 0.06 0.00 0.82 0.00 0.00 66.70 67.02 2aek h VAL 244 Cb 0.79 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 2aek h VAL 244 CO -0.65 0.24 0.31 0.11 0.02 0.00 0.00 177.57 177.60 2aek h LYS 245 N -0.59 0.35 -0.00 1.57 1.57 -1.70 -1.28 116.57 116.48 2aek h LYS 245 Ca -0.01 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.58 2aek h LYS 245 Cb 0.49 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 2aek h LYS 245 CO 0.02 0.23 -0.79 -0.91 -0.57 0.00 0.00 179.45 177.43 2aek h ASN 246 N 0.36 0.06 -0.22 0.86 2.35 -0.21 -2.30 115.58 116.48 2aek h ASN 246 Ca 0.20 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 2aek h ASN 246 Cb 0.35 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 2aek h ASN 246 CO -0.05 0.82 0.10 1.88 -1.65 0.00 0.00 177.43 178.54 2aek h TYR 247 N 0.03 0.31 0.01 1.19 0.05 -0.34 0.21 116.97 118.43 2aek h TYR 247 Ca -0.01 -0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.77 2aek h TYR 247 Cb 1.39 -0.10 -0.05 0.00 1.01 0.00 0.00 36.73 38.98 2aek h TYR 247 CO 0.01 0.32 -0.51 0.28 -1.05 0.00 0.00 178.16 177.20 2aek h VAL 248 N 0.22 0.00 0.09 -2.88 2.07 -1.29 0.88 116.25 115.34 2aek h VAL 248 Ca 0.07 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 2aek h VAL 248 Cb 0.12 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 2aek h VAL 248 CO -0.01 0.00 -0.04 0.58 0.02 0.00 0.00 177.57 178.12 2aek h VAL 249 N -0.64 0.96 -0.07 2.57 2.07 -1.28 0.39 116.25 120.25 2aek h VAL 249 Ca 0.01 -0.18 -0.22 0.00 0.82 0.00 0.00 66.70 67.13 2aek h VAL 249 Cb 0.69 1.08 0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2aek h VAL 249 CO -0.34 0.04 -0.85 0.28 0.02 0.00 0.00 177.57 176.73 2aek h SER 250 N -0.20 0.74 0.83 0.57 0.02 -0.47 -3.28 113.55 111.75 2aek h SER 250 Ca -0.01 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 2aek h SER 250 Cb 0.17 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2aek h SER 250 CO 0.02 1.31 -0.72 0.44 -1.14 0.00 0.00 176.83 176.74 2aek h ASP 251 N 0.38 0.00 -5.19 3.07 3.32 0.70 0.17 116.42 118.88 2aek h ASP 251 Ca -0.07 -0.21 -0.25 0.00 0.02 0.00 0.00 57.03 56.52 2aek h ASP 251 Cb 1.47 0.00 0.17 0.00 0.22 0.00 0.00 39.33 41.19 2aek h ASP 251 CO 0.16 0.10 -0.73 -0.62 -1.72 0.00 0.00 179.24 176.44 2aek n GLU 252 N -2.16 -3.55 -4.42 3.56 1.02 0.10 -4.87 120.64 110.32 2aek n GLU 252 Ca 0.03 0.76 -0.21 0.00 -0.02 0.00 0.00 57.16 57.72 2aek n GLU 252 Cb 0.45 -5.39 -0.10 0.00 -0.02 0.00 0.00 31.44 26.38 2aek n GLU 252 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2aek s ILE 253 N -3.33 0.91 0.69 -3.67 -4.36 -1.04 -5.06 121.20 105.33 2aek s ILE 253 Ca 0.24 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.52 2aek s ILE 253 Cb -0.03 -2.68 0.00 0.00 1.25 0.00 0.00 42.46 41.00 2aek s ILE 253 CO 0.65 0.00 1.06 -0.94 0.24 0.00 0.00 174.94 175.95 2aek s SER 254 N -3.45 5.52 0.42 4.36 1.04 -1.26 -4.56 113.70 115.77 2aek s SER 254 Ca 0.35 1.50 0.09 0.00 0.48 0.00 0.00 55.95 58.37 2aek s SER 254 Cb 0.08 -2.41 0.91 0.00 0.10 0.00 0.00 66.02 64.70 2aek s SER 254 CO 0.15 -1.34 2.06 0.25 0.98 0.00 0.00 173.24 175.34 2aek h LEU 255 N -0.65 0.37 0.10 2.42 5.85 -1.96 0.71 115.31 122.15 2aek h LEU 255 Ca -0.44 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 2aek h LEU 255 Cb 1.21 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2aek h LEU 255 CO 0.59 0.29 -0.05 0.45 -0.34 0.00 0.00 178.44 179.39 2aek h HIS 256 N 0.43 -0.12 -0.53 1.25 3.86 -1.98 0.83 115.15 118.90 2aek h HIS 256 Ca 0.11 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.37 2aek h HIS 256 Cb -0.01 0.04 -0.04 0.00 1.06 0.00 0.00 27.41 28.46 2aek h HIS 256 CO 0.00 0.07 0.28 0.93 0.86 0.00 0.00 177.93 180.07 2aek h GLU 257 N -0.30 0.52 0.35 2.45 5.08 -1.60 0.26 114.58 121.34 2aek h GLU 257 Ca -0.01 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2aek h GLU 257 Cb 0.25 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2aek h GLU 257 CO 0.02 0.34 -0.17 0.00 -1.00 0.00 0.00 179.01 178.21 2aek h ALA 258 N 1.28 -0.47 -0.21 3.43 0.00 -0.72 -0.22 119.26 122.36 2aek h ALA 258 Ca 0.23 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2aek h ALA 258 Cb 0.13 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2aek h ALA 258 CO -0.16 -0.76 0.14 1.25 0.00 0.00 0.00 179.25 179.72 2aek h LEU 259 N -0.47 0.09 0.91 0.00 5.85 -0.51 -1.86 115.31 119.32 2aek h LEU 259 Ca -0.05 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 2aek h LEU 259 Cb 0.36 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.38 2aek h LEU 259 CO 0.08 0.06 -0.44 -0.08 -0.34 0.00 0.00 178.44 177.73 2aek h GLU 260 N 0.11 -1.17 -0.58 1.25 4.57 0.51 -2.49 114.58 116.78 2aek h GLU 260 Ca 0.09 0.08 0.11 0.00 -1.18 0.00 0.00 59.36 58.46 2aek h GLU 260 Cb 0.23 0.27 -0.11 0.00 -0.16 0.00 0.00 28.75 28.97 2aek h GLU 260 CO -0.01 -0.78 -0.23 -0.22 -1.18 0.00 0.00 179.01 176.59 2aek h LYS 261 N -1.27 -0.08 -0.36 1.92 3.64 -0.31 -0.98 116.57 119.12 2aek h LYS 261 Ca -0.12 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.34 2aek h LYS 261 Cb 0.94 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.70 2aek h LYS 261 CO 0.20 -0.05 -0.10 1.25 -2.27 0.00 0.00 179.45 178.48 2aek h LEU 262 N -0.08 -0.38 -0.65 5.20 5.85 -1.34 -1.93 115.31 121.98 2aek h LEU 262 Ca 0.27 0.11 0.05 0.00 0.84 0.00 0.00 57.88 59.15 2aek h LEU 262 Cb 0.50 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 2aek h LEU 262 CO -0.64 -0.14 0.37 0.74 -0.34 0.00 0.00 178.44 178.43 2aek h THR 263 N -0.02 1.00 0.08 1.05 2.02 -0.74 0.05 112.91 116.35 2aek h THR 263 Ca 0.18 -0.24 0.02 0.00 0.77 0.00 0.00 66.41 67.14 2aek h THR 263 Cb 0.29 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 2aek h THR 263 CO -0.39 0.13 -0.24 1.56 0.37 0.00 0.00 175.52 176.95 2aek h GLN 264 N 0.70 -0.41 0.07 6.66 1.08 -0.60 -0.95 115.11 121.66 2aek h GLN 264 Ca 0.28 0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.53 2aek h GLN 264 Cb 0.14 0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 2aek h GLN 264 CO -0.16 -0.27 -0.17 -0.44 -0.95 0.00 0.00 178.83 176.83 2aek h ASP 265 N -0.43 -0.49 -0.34 1.46 3.32 -0.97 -0.26 116.42 118.71 2aek h ASP 265 Ca 0.04 0.06 0.07 0.00 0.02 0.00 0.00 57.03 57.22 2aek h ASP 265 Cb 0.47 0.19 -0.07 0.00 0.22 0.00 0.00 39.33 40.14 2aek h ASP 265 CO -0.16 -0.25 -0.10 0.74 -1.72 0.00 0.00 179.24 177.75 2aek h THR 266 N -0.32 0.62 -0.08 0.35 2.02 -0.75 0.43 112.91 115.17 2aek h THR 266 Ca 0.03 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 2aek h THR 266 Cb 0.36 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 2aek h THR 266 CO -0.12 0.00 -0.02 -0.07 0.37 0.00 0.00 175.52 175.68 2aek h LEU 267 N -0.03 0.16 -0.84 2.58 3.38 -1.04 -0.60 115.31 118.92 2aek h LEU 267 Ca 0.17 -0.38 0.07 0.00 0.09 0.00 0.00 57.88 57.83 2aek h LEU 267 Cb 0.28 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 2aek h LEU 267 CO -0.37 0.50 0.51 -0.74 0.09 0.00 0.00 178.44 178.43 2aek h HIS 268 N -0.19 0.95 -0.61 1.13 2.76 -0.77 0.57 115.15 119.00 2aek h HIS 268 Ca 0.02 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.24 2aek h HIS 268 Cb 0.43 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 29.05 2aek h HIS 268 CO 0.06 0.46 0.38 1.03 -1.30 0.00 0.00 177.93 178.56 2aek h SER 269 N 0.92 0.64 0.51 3.26 0.87 0.05 -1.01 113.55 118.79 2aek h SER 269 Ca 0.37 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.91 2aek h SER 269 Cb 0.20 -0.14 0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2aek h SER 269 CO -0.19 0.45 -0.25 0.28 -0.53 0.00 0.00 176.83 176.60 2aek h SER 270 N 0.76 -0.58 -0.52 6.23 0.02 0.34 -0.73 113.55 119.07 2aek h SER 270 Ca 0.24 -0.02 0.10 0.00 -0.84 0.00 0.00 61.79 61.28 2aek h SER 270 Cb -0.01 0.15 -0.10 0.00 0.14 0.00 0.00 62.40 62.58 2aek h SER 270 CO -0.09 -0.36 -0.15 0.50 -1.14 0.00 0.00 176.83 175.60 2aek h LYS 271 N -0.77 -0.02 0.00 3.45 3.64 -0.66 -0.77 116.57 121.44 2aek h LYS 271 Ca -0.07 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 2aek h LYS 271 Cb 0.56 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 2aek h LYS 271 CO 0.12 -0.01 -0.35 1.96 -2.27 0.00 0.00 179.45 178.89 2aek h GLN 272 N -0.02 0.00 -0.19 1.90 1.08 -1.11 -1.49 115.11 115.28 2aek h GLN 272 Ca 0.25 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.44 2aek h GLN 272 Cb 0.40 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 2aek h GLN 272 CO -0.55 0.35 0.09 1.98 -0.95 0.00 0.00 178.83 179.75 2aek h MET 273 N 0.00 0.27 -0.06 1.46 4.05 0.38 -1.79 114.93 119.24 2aek h MET 273 Ca -0.00 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 2aek h MET 273 Cb 0.71 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.46 2aek h MET 273 CO 0.05 0.30 -0.02 0.28 0.23 0.00 0.00 176.91 177.75 2aek h VAL 274 N 0.17 1.29 -0.80 -5.77 2.07 -1.33 -2.56 116.25 109.33 2aek h VAL 274 Ca 0.06 -0.92 0.19 0.00 0.82 0.00 0.00 66.70 66.86 2aek h VAL 274 Cb 0.12 1.78 -0.13 0.00 -1.52 0.00 0.00 31.29 31.54 2aek h VAL 274 CO -0.01 0.25 0.14 0.00 0.02 0.00 0.00 177.57 177.97 2aek h ALA 275 N 0.66 1.01 0.04 1.67 0.00 -1.15 -1.43 119.26 120.07 2aek h ALA 275 Ca 0.02 0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.96 2aek h ALA 275 Cb 0.41 0.33 0.02 0.00 0.00 0.00 0.00 17.79 18.55 2aek h ALA 275 CO 0.01 -0.41 -0.75 0.28 0.00 0.00 0.00 179.25 178.37 2aek h VAL 276 N 0.19 1.42 -0.00 0.00 2.07 -1.31 -3.39 116.25 115.23 2aek h VAL 276 Ca 0.46 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 65.75 2aek h VAL 276 Cb 0.86 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 2aek h VAL 276 CO -0.62 0.65 -0.65 0.49 0.02 0.00 0.00 177.57 177.46 2aek n PHE 277 N -4.13 0.00 0.13 1.57 3.72 -0.97 -4.44 117.46 113.35 2aek n PHE 277 Ca -0.12 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.13 2aek n PHE 277 Cb 0.75 -0.14 -0.09 0.00 -0.94 0.00 0.00 39.48 39.06 2aek n PHE 277 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2aek h SER 278 N 0.23 -1.43 -0.04 4.37 0.02 -1.46 -2.33 113.55 112.92 2aek h SER 278 Ca 0.00 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2aek h SER 278 Cb 0.51 0.52 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2aek h SER 278 CO 0.00 -0.54 0.00 -0.90 -1.14 0.00 0.00 176.83 174.25 2aek n ASP 279 N -5.49 1.19 -3.52 3.07 5.75 -1.26 -4.87 116.55 111.42 2aek n ASP 279 Ca -0.08 -2.05 -0.11 0.00 -0.01 0.00 0.00 54.79 52.53 2aek n ASP 279 Cb 0.41 -0.46 0.03 0.00 -1.03 0.00 0.00 41.12 40.07 2aek n ASP 279 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2aek n LYS 280 N -0.01 0.85 -1.71 0.11 4.01 -0.88 -4.99 118.16 115.56 2aek n LYS 280 Ca 0.02 -1.66 -0.63 0.00 -0.51 0.00 0.00 58.31 55.53 2aek n LYS 280 Cb 0.28 -0.06 -0.09 0.00 -0.51 0.00 0.00 35.03 34.66 2aek n LYS 280 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2aek n ASP 281 N -2.50 1.53 -0.28 4.39 -0.08 -1.26 -4.74 116.55 113.62 2aek n ASP 281 Ca 0.07 1.14 0.15 0.00 -1.51 0.00 0.00 54.79 54.64 2aek n ASP 281 Cb 0.32 -0.99 0.42 0.00 2.34 0.00 0.00 41.12 43.21 2aek n ASP 281 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2aek h PRO 282 N 5.56 0.58 -0.37 -0.67 0.13 -1.92 -0.41 132.00 134.89 2aek h PRO 282 Ca -0.46 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 2aek h PRO 282 Cb 1.36 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2aek h PRO 282 CO 0.93 0.38 -0.16 0.37 -0.23 0.00 0.00 178.00 179.29 2aek h GLN 283 N 0.59 0.68 0.40 0.86 4.15 -1.99 -0.85 115.11 118.96 2aek h GLN 283 Ca 0.49 -0.24 -0.02 0.00 0.77 0.00 0.00 58.65 59.65 2aek h GLN 283 Cb 0.94 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.59 2aek h GLN 283 CO -0.23 0.81 -0.19 0.28 -1.93 0.00 0.00 178.83 177.56 2aek h VAL 284 N 0.61 0.54 -0.88 2.39 2.07 -1.46 -1.80 116.25 117.73 2aek h VAL 284 Ca 0.10 -0.47 0.17 0.00 0.82 0.00 0.00 66.70 67.33 2aek h VAL 284 Cb 0.62 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 2aek h VAL 284 CO 0.04 0.08 0.57 -0.03 0.02 0.00 0.00 177.57 178.26 2aek h MET 285 N -0.83 0.52 0.15 1.57 1.85 -1.19 -0.52 114.93 116.48 2aek h MET 285 Ca -0.06 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.00 2aek h MET 285 Cb 0.54 -0.12 0.00 0.00 0.43 0.00 0.00 31.60 32.46 2aek h MET 285 CO 0.09 0.35 -0.07 0.22 -0.40 0.00 0.00 176.91 177.09 2aek h ASP 286 N 0.54 -0.17 -0.59 1.39 3.58 -0.98 0.73 116.42 120.91 2aek h ASP 286 Ca 0.45 -0.25 0.03 0.00 0.42 0.00 0.00 57.03 57.69 2aek h ASP 286 Cb 0.93 0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.98 2aek h ASP 286 CO -0.19 0.16 0.36 0.74 -2.88 0.00 0.00 179.24 177.43 2aek h THR 287 N -0.53 1.05 -0.01 2.25 2.02 -0.50 -0.43 112.91 116.75 2aek h THR 287 Ca -0.02 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 2aek h THR 287 Cb 0.41 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 2aek h THR 287 CO 0.03 0.13 0.01 0.40 0.37 0.00 0.00 175.52 176.46 2aek h ILE 288 N 0.70 1.10 -0.72 3.11 2.04 -1.08 -1.13 117.51 121.52 2aek h ILE 288 Ca 0.24 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2aek h ILE 288 Cb 0.04 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 2aek h ILE 288 CO -0.11 0.08 0.46 -0.08 0.00 0.00 0.00 178.15 178.49 2aek h GLU 289 N -0.10 0.97 -0.29 2.37 4.81 -0.57 -2.16 114.58 119.60 2aek h GLU 289 Ca 0.00 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2aek h GLU 289 Cb 0.12 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2aek h GLU 289 CO -0.00 0.66 0.17 0.00 -0.73 0.00 0.00 179.01 179.12 2aek h PHE 291 N 0.37 0.05 -0.23 0.00 3.57 -0.85 0.51 116.94 120.36 2aek h PHE 291 Ca 0.11 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.66 2aek h PHE 291 Cb 0.03 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 2aek h PHE 291 CO -0.04 -0.01 0.04 0.52 -2.23 0.00 0.00 178.31 176.60 2aek h MET 292 N 0.13 0.13 0.07 1.11 2.86 -1.24 0.28 114.93 118.27 2aek h MET 292 Ca 0.14 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2aek h MET 292 Cb 0.16 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.80 2aek h MET 292 CO -0.20 0.08 -0.04 0.45 1.06 0.00 0.00 176.91 178.27 2aek h HIS 293 N 0.13 -0.09 -0.52 -0.22 3.86 -0.91 -2.40 115.15 115.01 2aek h HIS 293 Ca 0.11 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.36 2aek h HIS 293 Cb 0.10 0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.56 2aek h HIS 293 CO -0.15 0.17 0.27 0.78 0.86 0.00 0.00 177.93 179.86 2aek h GLY 294 N -0.35 0.73 0.76 2.45 0.00 0.18 0.10 103.07 106.94 2aek h GLY 294 Ca -0.01 -0.19 0.09 0.00 0.00 0.00 0.00 47.33 47.22 2aek h GLY 294 CO 0.02 0.12 0.57 -1.82 0.00 0.00 0.00 176.54 175.43 2aek h TYR 295 N 0.52 0.96 -0.11 5.60 3.20 -0.40 0.14 116.97 126.89 2aek h TYR 295 Ca 0.23 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.94 2aek h TYR 295 Cb 0.13 -0.31 0.01 0.00 1.54 0.00 0.00 36.73 38.10 2aek h TYR 295 CO -0.10 0.46 -0.64 0.28 -1.64 0.00 0.00 178.16 176.52 2aek h VAL 296 N 0.91 1.33 0.01 1.81 2.07 -0.78 -2.75 116.25 118.86 2aek h VAL 296 Ca 0.40 -1.92 0.03 0.00 0.82 0.00 0.00 66.70 66.03 2aek h VAL 296 Cb 0.36 2.17 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 2aek h VAL 296 CO -0.17 0.59 -0.22 0.74 0.02 0.00 0.00 177.57 178.53 2aek h THR 297 N 0.27 0.49 -0.46 2.57 2.02 -0.17 -1.58 112.91 116.05 2aek h THR 297 Ca -0.05 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.22 2aek h THR 297 Cb 1.29 0.49 -0.10 0.00 -1.74 0.00 0.00 68.15 68.09 2aek h THR 297 CO 0.13 0.00 -0.21 -0.25 0.37 0.00 0.00 175.52 175.56 2aek h TRP 298 N -0.35 -0.54 -0.70 3.16 7.01 -0.77 0.37 115.95 124.12 2aek h TRP 298 Ca 0.06 0.05 0.03 0.00 2.11 0.00 0.00 58.89 61.14 2aek h TRP 298 Cb 0.43 0.31 -0.04 0.00 -2.10 0.00 0.00 29.16 27.75 2aek h TRP 298 CO -0.25 -0.30 0.44 0.45 -2.79 0.00 0.00 178.44 175.99 2aek h HIS 299 N -0.11 0.83 -0.10 2.65 3.86 -1.17 0.14 115.15 121.25 2aek h HIS 299 Ca 0.22 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.38 2aek h HIS 299 Cb 0.46 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 2aek h HIS 299 CO -0.48 0.48 -0.26 -0.07 0.86 0.00 0.00 177.93 178.46 2aek h LEU 300 N 0.87 0.17 0.02 2.43 3.38 -0.20 -3.32 115.31 118.66 2aek h LEU 300 Ca 0.28 -0.05 -0.35 0.00 0.09 0.00 0.00 57.88 57.85 2aek h LEU 300 Cb 0.01 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 2aek h LEU 300 CO -0.11 0.44 -2.17 0.00 0.09 0.00 0.00 178.44 176.69 2aek s ASP 302 N -6.14 6.86 0.40 0.00 -1.08 0.46 -4.90 116.67 112.27 2aek s ASP 302 Ca -0.16 2.29 0.11 0.00 -0.52 0.00 0.00 52.55 54.26 2aek s ASP 302 Cb 0.07 -2.59 0.92 0.00 -1.46 0.00 0.00 42.92 39.86 2aek s ASP 302 CO 0.77 -0.63 1.96 0.03 0.52 0.00 0.00 175.17 177.82 2aek h ARG 303 N 6.75 0.53 -0.90 4.34 3.08 -1.89 -2.81 114.38 123.48 2aek h ARG 303 Ca -0.42 -0.03 0.24 0.00 0.07 0.00 0.00 59.98 59.84 2aek h ARG 303 Cb 1.21 -0.12 -0.16 0.00 0.08 0.00 0.00 29.97 30.98 2aek h ARG 303 CO 0.85 0.35 0.08 -0.22 -1.07 0.00 0.00 179.97 179.97 2aek h LYS 304 N 0.55 0.08 -0.00 0.04 3.64 -1.94 0.34 116.57 119.28 2aek h LYS 304 Ca 0.31 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 2aek h LYS 304 Cb 0.49 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2aek h LYS 304 CO -0.10 0.05 -0.08 0.66 -2.27 0.00 0.00 179.45 177.71 2aek n TYR 305 N -5.38 0.00 -2.86 1.91 4.01 -1.06 -4.90 117.16 108.88 2aek n TYR 305 Ca 0.20 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.84 2aek n TYR 305 Cb 0.67 -0.20 -0.01 0.00 -0.31 0.00 0.00 39.34 39.50 2aek n TYR 305 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2aek n ARG 306 N -1.02 -2.61 0.30 -0.72 1.74 0.12 -4.32 116.66 110.15 2aek n ARG 306 Ca 0.15 0.19 0.19 0.00 -0.77 0.00 0.00 57.85 57.61 2aek n ARG 306 Cb 0.26 -4.74 0.92 0.00 -1.02 0.00 0.00 32.46 27.88 2aek n ARG 306 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2aek h LEU 307 N -0.23 0.00 -1.11 0.55 3.38 -1.82 -2.52 115.31 113.55 2aek h LEU 307 Ca -0.18 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.88 2aek h LEU 307 Cb 1.13 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.81 2aek h LEU 307 CO 0.25 0.00 0.61 0.77 0.09 0.00 0.00 178.44 180.15 2aek h SER 308 N 0.00 0.89 -0.65 -0.43 4.64 -1.87 -1.21 113.55 114.92 2aek h SER 308 Ca 0.00 0.02 0.10 0.00 -0.47 0.00 0.00 61.79 61.44 2aek h SER 308 Cb 0.26 -0.16 -0.07 0.00 -0.31 0.00 0.00 62.40 62.11 2aek h SER 308 CO 0.00 0.53 0.27 -0.33 -0.87 0.00 0.00 176.83 176.43 2aek h GLU 309 N 0.99 0.45 -0.19 4.77 5.08 -1.82 0.83 114.58 124.68 2aek h GLU 309 Ca 0.43 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.74 2aek h GLU 309 Cb 0.35 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2aek h GLU 309 CO -0.19 0.30 0.01 0.82 -1.00 0.00 0.00 179.01 178.95 2aek h ILE 310 N 0.47 1.12 0.48 3.13 2.04 -1.39 -2.82 117.51 120.53 2aek h ILE 310 Ca 0.33 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 2aek h ILE 310 Cb 0.39 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2aek h ILE 310 CO -0.30 0.15 -0.23 0.22 0.00 0.00 0.00 178.15 177.99 2aek h TYR 311 N 0.28 -0.60 0.00 1.37 3.20 -0.61 -3.22 116.97 117.38 2aek h TYR 311 Ca 0.07 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.78 2aek h TYR 311 Cb 0.17 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 2aek h TYR 311 CO 0.00 -0.28 0.55 -1.91 -1.64 0.00 0.00 178.16 174.88 2aek n GLU 312 N -5.26 1.20 -0.14 1.82 4.07 -0.33 -1.11 120.64 120.88 2aek n GLU 312 Ca -0.11 -0.69 0.00 0.00 -0.06 0.00 0.00 57.16 56.31 2aek n GLU 312 Cb 0.31 -1.89 0.00 0.00 -0.06 0.00 0.00 31.44 29.80 2aek n GLU 312 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2aek n LYS 313 N 3.06 0.00 0.00 5.31 4.81 -1.22 -4.89 118.16 125.24 2aek n LYS 313 Ca 0.26 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 2aek n LYS 313 Cb 0.39 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.44 2aek n LYS 313 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2aek n VAL 314 N 0.00 0.00 -0.62 3.15 0.24 -0.45 -4.95 118.33 115.71 2aek n VAL 314 Ca 0.00 0.00 0.49 0.00 -2.04 0.00 0.00 64.34 62.79 2aek n VAL 314 Cb 0.17 0.00 0.80 0.00 -1.47 0.00 0.00 33.84 33.34 2aek n VAL 314 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2aek h LYS 315 N 0.00 0.00 -2.78 7.34 3.64 -1.41 -3.22 116.57 120.14 2aek h LYS 315 Ca 0.00 -0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.84 2aek h LYS 315 Cb 0.22 -0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.64 2aek h LYS 315 CO 0.00 0.00 -0.79 -1.83 -2.27 0.00 0.00 179.45 174.56 2aek s GLU 316 N -4.90 0.27 0.12 1.90 1.03 -1.26 -5.08 118.70 110.78 2aek s GLU 316 Ca -0.05 -0.69 -0.18 0.00 0.03 0.00 0.00 54.97 54.07 2aek s GLU 316 Cb 0.26 -1.22 0.04 0.00 -0.80 0.00 0.00 34.13 32.42 2aek s GLU 316 CO 0.88 -1.05 0.45 -1.21 -1.33 0.00 0.00 175.26 173.00 2aek s GLU 317 N 1.90 1.09 0.00 -4.83 2.02 -1.22 -5.05 118.70 112.61 2aek s GLU 317 Ca 0.11 -0.58 0.28 0.00 0.02 0.00 0.00 54.97 54.80 2aek s GLU 317 Cb -0.17 0.49 1.11 0.00 0.10 0.00 0.00 34.13 35.66 2aek s GLU 317 CO -0.30 -0.43 1.78 1.63 0.02 0.00 0.00 175.26 177.96 2aek n LYS 318 N -0.12 1.48 -1.78 1.61 5.02 -1.26 -4.76 118.16 118.36 2aek n LYS 318 Ca -0.17 -0.79 -0.41 0.00 -2.02 0.00 0.00 58.31 54.92 2aek n LYS 318 Cb 0.63 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 34.16 2aek n LYS 318 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2aek s THR 319 N -2.07 2.01 0.16 -0.18 2.01 -1.26 -4.91 115.64 111.41 2aek s THR 319 Ca 0.37 0.01 -0.08 0.00 0.31 0.00 0.00 61.69 62.31 2aek s THR 319 Cb 0.21 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 2aek s THR 319 CO 0.36 0.00 1.50 -0.08 -0.69 0.00 0.00 174.62 175.72 2aek h GLU 320 N 2.77 0.82 0.14 4.92 4.81 -2.00 -3.03 114.58 123.02 2aek h GLU 320 Ca -0.51 -0.44 -0.01 0.00 -0.13 0.00 0.00 59.36 58.27 2aek h GLU 320 Cb 1.25 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2aek h GLU 320 CO 0.63 1.08 -0.07 -0.44 -0.73 0.00 0.00 179.01 179.48 2aek h ASP 321 N 0.67 -0.16 0.00 1.04 3.32 -1.92 -2.41 116.42 116.96 2aek h ASP 321 Ca 0.05 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2aek h ASP 321 Cb 0.98 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.57 2aek h ASP 321 CO 0.09 0.27 0.28 0.00 -1.72 0.00 0.00 179.24 178.17 2aek n ALA 322 N -2.70 0.43 -0.11 3.45 0.00 -1.25 0.02 120.51 120.35 2aek n ALA 322 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.24 2aek n ALA 322 Cb 0.07 -0.43 -0.09 0.00 0.00 0.00 0.00 19.45 19.01 2aek n ALA 322 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2aek n GLN 323 N -1.21 0.50 0.15 0.00 7.27 -1.14 -3.93 117.38 119.01 2aek n GLN 323 Ca 0.00 0.15 0.06 0.00 0.07 0.00 0.00 57.00 57.28 2aek n GLN 323 Cb 0.28 -1.36 0.53 0.00 2.41 0.00 0.00 30.24 32.10 2aek n GLN 323 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 2aek h LYS 324 N -0.31 0.23 -0.26 3.69 1.57 -0.27 -0.99 116.57 120.24 2aek h LYS 324 Ca -0.50 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.30 2aek h LYS 324 Cb 1.63 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.85 2aek h LYS 324 CO -0.18 0.17 0.02 0.35 -0.57 0.00 0.00 179.45 179.25 2aek h PHE 325 N 0.24 0.03 -0.31 -1.35 3.57 -0.59 -1.74 116.94 116.78 2aek h PHE 325 Ca 0.06 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.44 2aek h PHE 325 Cb 0.01 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 2aek h PHE 325 CO 0.00 -0.01 -0.37 0.00 -2.23 0.00 0.00 178.31 175.69 2aek h LYS 327 N 0.57 0.27 0.41 0.00 3.64 -0.92 0.57 116.57 121.11 2aek h LYS 327 Ca 0.04 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2aek h LYS 327 Cb 0.96 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 2aek h LYS 327 CO 0.09 0.18 -0.20 0.74 -2.27 0.00 0.00 179.45 177.99 2aek h PHE 328 N 0.28 -0.51 -0.81 1.91 0.04 -1.12 -2.21 116.94 114.52 2aek h PHE 328 Ca 0.48 -0.01 0.08 0.00 2.80 0.00 0.00 57.97 61.32 2aek h PHE 328 Cb 0.89 0.17 -0.11 0.00 2.20 0.00 0.00 35.95 39.10 2aek h PHE 328 CO -0.24 -0.22 -0.56 -0.92 -0.60 0.00 0.00 178.31 175.77 2aek h TYR 329 N -1.06 -1.77 -0.65 -0.55 5.03 0.49 0.50 116.97 118.96 2aek h TYR 329 Ca -0.06 0.11 0.12 0.00 2.58 0.00 0.00 58.73 61.49 2aek h TYR 329 Cb 0.51 0.88 -0.09 0.00 1.55 0.00 0.00 36.73 39.58 2aek h TYR 329 CO 0.02 -0.39 0.21 0.93 -1.32 0.00 0.00 178.16 177.61 2aek h GLU 330 N -0.10 0.34 -0.42 1.82 5.08 0.03 -1.02 114.58 120.31 2aek h GLU 330 Ca 0.13 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.55 2aek h GLU 330 Cb 0.44 -0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.52 2aek h GLU 330 CO -0.81 0.23 -0.37 1.96 -1.00 0.00 0.00 179.01 179.01 2aek h GLN 331 N 0.35 -0.27 0.23 2.33 4.20 0.57 -1.59 115.11 120.94 2aek h GLN 331 Ca 0.35 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.08 2aek h GLN 331 Cb 0.50 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.31 2aek h GLN 331 CO -0.38 -0.18 -0.48 0.00 -0.67 0.00 0.00 178.83 177.11 2aek h ALA 332 N 0.63 -1.02 -0.96 3.87 0.00 0.24 -2.67 119.26 119.34 2aek h ALA 332 Ca 0.16 -0.13 0.29 0.00 0.00 0.00 0.00 54.91 55.23 2aek h ALA 332 Cb 0.56 0.81 -0.17 0.00 0.00 0.00 0.00 17.79 18.99 2aek h ALA 332 CO -0.57 -1.11 0.18 0.00 0.00 0.00 0.00 179.25 177.75 2aek h ALA 333 N -0.74 1.39 -0.78 0.00 0.00 -0.54 1.31 119.26 119.91 2aek h ALA 333 Ca -0.02 0.30 0.18 0.00 0.00 0.00 0.00 54.91 55.37 2aek h ALA 333 Cb 0.74 0.47 -0.13 0.00 0.00 0.00 0.00 17.79 18.87 2aek h ALA 333 CO -0.20 -0.62 0.07 -0.91 0.00 0.00 0.00 179.25 177.59 2aek h ASN 334 N 0.06 -0.23 0.00 0.00 2.35 -0.95 0.66 115.58 117.47 2aek h ASN 334 Ca 0.64 0.19 0.00 0.00 -0.55 0.00 0.00 56.30 56.58 2aek h ASN 334 Cb 1.40 0.31 0.00 0.00 0.05 0.00 0.00 38.32 40.08 2aek h ASN 334 CO -0.83 -0.16 -0.82 1.33 -1.65 0.00 0.00 177.43 175.31 2aek n VAL 335 N -5.30 0.00 -0.10 2.81 0.24 -0.35 -4.74 118.33 110.90 2aek n VAL 335 Ca 0.15 -0.22 -0.18 0.00 -2.04 0.00 0.00 64.34 62.06 2aek n VAL 335 Cb 0.51 0.83 -0.08 0.00 -1.47 0.00 0.00 33.84 33.63 2aek n VAL 335 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aek n GLY 336 N 1.40 -0.81 3.63 7.63 0.00 0.44 -4.76 105.19 112.71 2aek n GLY 336 Ca 0.01 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2aek n GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aek s ALA 337 N -2.51 3.09 -0.14 4.61 0.00 0.16 -4.95 121.76 122.02 2aek s ALA 337 Ca -0.26 0.99 -0.04 0.00 0.00 0.00 0.00 51.96 52.64 2aek s ALA 337 Cb 0.06 -3.97 0.07 0.00 0.00 0.00 0.00 23.12 19.27 2aek s ALA 337 CO 0.47 -2.27 0.22 0.08 0.00 0.00 0.00 175.76 174.26 2aek s VAL 338 N 6.63 -0.35 0.08 0.00 1.01 -1.26 -4.91 120.40 121.61 2aek s VAL 338 Ca 0.94 0.18 -0.33 0.00 0.00 0.00 0.00 61.98 62.77 2aek s VAL 338 Cb -0.37 -0.47 -0.12 0.00 0.00 0.00 0.00 36.38 35.41 2aek s VAL 338 CO 0.38 0.03 1.73 -0.24 0.00 0.00 0.00 175.10 176.99 2aek n SER 339 N 5.33 3.44 -0.34 3.32 2.88 -1.26 -4.83 113.62 122.16 2aek n SER 339 Ca -0.05 1.03 0.22 0.00 -1.33 0.00 0.00 58.87 58.74 2aek n SER 339 Cb 0.50 -1.44 0.47 0.00 -0.75 0.00 0.00 64.21 62.98 2aek n SER 339 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2aek h PRO 340 N 7.46 0.42 0.00 -1.46 0.11 -2.00 0.46 132.00 137.00 2aek h PRO 340 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2aek h PRO 340 Cb 1.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2aek h PRO 340 CO 0.92 0.28 0.41 0.66 -0.21 0.00 0.00 178.00 180.06 2aek h SER 341 N 0.43 0.00 1.50 -2.05 4.64 -1.88 0.37 113.55 116.57 2aek h SER 341 Ca 0.66 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.98 2aek h SER 341 Cb 1.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 2aek h SER 341 CO -0.43 0.00 -0.20 -0.33 -0.87 0.00 0.00 176.83 175.00 2aek h GLU 342 N 0.00 0.00 0.00 4.77 5.08 -1.25 -3.43 114.58 119.75 2aek h GLU 342 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2aek h GLU 342 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2aek h GLU 342 CO 0.00 0.00 0.00 -2.67 -1.00 0.00 0.00 179.01 175.34 2aek n TRP 343 N -2.55 -0.02 -2.63 4.33 4.27 0.10 -4.89 117.44 116.05 2aek n TRP 343 Ca 0.04 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.23 2aek n TRP 343 Cb 0.48 0.03 -0.01 0.00 -1.36 0.00 0.00 31.31 30.45 2aek n TRP 343 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2aek s ALA 344 N -1.07 3.23 -0.07 -1.67 0.00 0.58 -4.48 121.76 118.28 2aek s ALA 344 Ca 0.00 -2.78 -0.30 0.00 0.00 0.00 0.00 51.96 48.88 2aek s ALA 344 Cb 0.00 -4.53 0.09 0.00 0.00 0.00 0.00 23.12 18.68 2aek s ALA 344 CO 0.00 -3.32 0.79 1.52 0.00 0.00 0.00 175.76 174.75 2aek s TYR 345 N 4.07 -0.54 0.91 0.00 -0.85 -1.26 -4.66 117.35 115.03 2aek s TYR 345 Ca 0.49 0.88 -0.15 0.00 -0.52 0.00 0.00 57.07 57.78 2aek s TYR 345 Cb 0.02 0.44 0.16 0.00 0.38 0.00 0.00 41.96 42.95 2aek s TYR 345 CO 0.01 -0.53 1.26 -1.25 -1.52 0.00 0.00 175.55 173.52 2aek s PRO 346 N -1.40 1.06 0.56 -3.49 0.04 -1.26 -4.85 135.00 125.66 2aek s PRO 346 Ca -0.07 -0.18 -0.20 0.00 0.04 0.00 0.00 61.00 60.60 2aek s PRO 346 Cb -0.00 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 2aek s PRO 346 CO 0.05 -2.17 1.18 -1.25 0.04 0.00 0.00 177.00 174.86 2aek s PRO 347 N -5.74 3.20 0.27 0.56 0.04 -1.26 -4.88 135.00 127.19 2aek s PRO 347 Ca 0.69 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.50 2aek s PRO 347 Cb -0.07 -2.02 0.57 0.00 0.04 0.00 0.00 34.50 33.02 2aek s PRO 347 CO 0.52 -1.01 1.77 0.28 0.04 0.00 0.00 177.00 178.60 2aek h VAL 348 N 1.13 0.75 -0.24 -0.36 2.07 -1.97 -1.37 116.25 116.26 2aek h VAL 348 Ca -0.50 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 66.82 2aek h VAL 348 Cb 1.28 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 2aek h VAL 348 CO 0.56 0.12 0.02 0.00 0.02 0.00 0.00 177.57 178.30 2aek h ALA 349 N 1.57 0.23 -0.66 1.67 0.00 -1.93 0.02 119.26 120.15 2aek h ALA 349 Ca 0.48 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.56 2aek h ALA 349 Cb 0.67 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 2aek h ALA 349 CO -0.35 -0.40 0.26 0.37 0.00 0.00 0.00 179.25 179.12 2aek h GLN 350 N 0.10 0.43 -0.50 0.00 4.15 -1.62 0.19 115.11 117.86 2aek h GLN 350 Ca 0.11 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.42 2aek h GLN 350 Cb 0.13 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 2aek h GLN 350 CO -0.17 0.28 -0.02 -0.07 -1.93 0.00 0.00 178.83 176.92 2aek h LEU 351 N 0.44 0.83 -0.94 -2.39 3.38 -1.15 -2.60 115.31 112.88 2aek h LEU 351 Ca 0.34 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 2aek h LEU 351 Cb 0.45 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2aek h LEU 351 CO -0.33 0.90 -0.11 0.00 0.09 0.00 0.00 178.44 178.99 2aek h ALA 352 N 1.18 1.11 -0.20 1.53 0.00 0.11 -3.05 119.26 119.94 2aek h ALA 352 Ca 0.15 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 2aek h ALA 352 Cb 0.50 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2aek h ALA 352 CO 0.03 0.56 -0.62 -0.97 0.00 0.00 0.00 179.25 178.24 2aek h ASN 353 N 0.60 0.76 0.00 0.00 -0.00 -0.52 -3.47 115.58 112.95 2aek h ASN 353 Ca 0.11 -0.44 0.00 0.00 -0.00 0.00 0.00 56.30 55.97 2aek h ASN 353 Cb 0.54 -0.22 0.00 0.00 -0.00 0.00 0.00 38.32 38.64 2aek h ASN 353 CO 0.03 1.20 0.00 0.52 -0.00 0.00 0.00 177.43 179.18