#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lmt s VAL 2 N 0.00 4.03 0.52 3.15 1.01 -1.26 -1.10 120.40 126.74 1lmt s VAL 2 Ca 0.00 -0.95 -0.18 0.00 0.00 0.00 0.00 61.98 60.85 1lmt s VAL 2 Cb 0.00 -3.22 -0.07 0.00 0.00 0.00 0.00 36.38 33.08 1lmt s VAL 2 CO 0.00 -0.13 1.01 -0.36 0.00 0.00 0.00 175.10 175.62 1lmt s PHE 3 N 1.46 3.22 0.28 5.22 0.40 -0.35 -5.01 117.98 123.21 1lmt s PHE 3 Ca 0.00 1.52 -0.14 0.00 -0.60 0.00 0.00 56.93 57.71 1lmt s PHE 3 Cb -0.19 -2.91 -0.08 0.00 0.51 0.00 0.00 43.02 40.35 1lmt s PHE 3 CO 0.04 -0.62 0.69 -2.00 0.70 0.00 0.00 175.22 174.02 1lmt s GLU 4 N -3.77 3.98 0.08 0.44 -6.30 -1.26 -4.87 118.70 107.00 1lmt s GLU 4 Ca 0.62 0.60 -0.26 0.00 -2.50 0.00 0.00 54.97 53.43 1lmt s GLU 4 Cb -0.13 -2.54 -0.10 0.00 0.00 0.00 0.00 34.13 31.36 1lmt s GLU 4 CO 0.28 0.23 1.41 -0.09 0.02 0.00 0.00 175.26 177.11 1lmt h ARG 5 N 2.49 -0.47 -0.29 4.30 2.43 -1.97 -1.14 114.38 119.73 1lmt h ARG 5 Ca -0.48 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.69 1lmt h ARG 5 Cb 1.18 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.82 1lmt h ARG 5 CO 0.66 -0.31 0.03 0.00 -1.51 0.00 0.00 179.97 178.83 1lmt h GLU 7 N 0.42 0.72 -0.38 0.00 4.81 -1.89 -0.09 114.58 118.17 1lmt h GLU 7 Ca 0.10 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1lmt h GLU 7 Cb 0.24 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1lmt h GLU 7 CO 0.00 0.54 0.07 1.25 -0.73 0.00 0.00 179.01 180.14 1lmt h LEU 8 N 0.70 0.60 -0.24 1.64 5.85 -0.52 -0.83 115.31 122.51 1lmt h LEU 8 Ca 0.19 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1lmt h LEU 8 Cb 0.02 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 1lmt h LEU 8 CO -0.03 0.70 -0.00 0.00 -0.34 0.00 0.00 178.44 178.76 1lmt h ALA 9 N 0.92 0.21 -0.53 1.25 0.00 -1.06 0.26 119.26 120.31 1lmt h ALA 9 Ca 0.12 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1lmt h ALA 9 Cb 0.35 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1lmt h ALA 9 CO 0.01 -0.42 0.03 0.00 0.00 0.00 0.00 179.25 178.86 1lmt h ARG 10 N 0.07 0.88 -0.10 0.00 3.08 -0.90 -0.77 114.38 116.65 1lmt h ARG 10 Ca 0.11 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 1lmt h ARG 10 Cb 0.15 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1lmt h ARG 10 CO -0.19 0.86 0.05 1.15 -1.07 0.00 0.00 179.97 180.77 1lmt h THR 11 N 0.82 1.11 -0.66 2.04 2.02 -0.24 -1.86 112.91 116.15 1lmt h THR 11 Ca 0.16 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1lmt h THR 11 Cb 0.46 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 1lmt h THR 11 CO 0.02 0.10 0.38 -0.07 0.37 0.00 0.00 175.52 176.32 1lmt h LEU 12 N 0.03 0.79 -0.53 2.58 3.38 -0.26 -1.64 115.31 119.66 1lmt h LEU 12 Ca 0.03 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1lmt h LEU 12 Cb 0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1lmt h LEU 12 CO -0.00 0.62 0.22 0.50 0.09 0.00 0.00 178.44 179.87 1lmt h LYS 13 N 0.91 0.78 -0.18 1.13 3.64 -0.94 -1.73 116.57 120.17 1lmt h LYS 13 Ca 0.24 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1lmt h LYS 13 Cb -0.02 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1lmt h LYS 13 CO -0.04 0.67 -0.12 -0.09 -2.27 0.00 0.00 179.45 177.60 1lmt h ARG 14 N 0.71 0.28 -0.04 1.90 2.43 -0.96 -2.17 114.38 116.52 1lmt h ARG 14 Ca 0.18 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1lmt h ARG 14 Cb 0.17 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1lmt h ARG 14 CO -0.02 0.41 0.00 1.28 -1.51 0.00 0.00 179.97 180.13 1lmt n LEU 15 N -4.27 0.60 0.00 3.80 4.77 -0.65 -4.91 117.00 116.34 1lmt n LEU 15 Ca -0.00 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1lmt n LEU 15 Cb 0.27 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1lmt n LEU 15 CO 0.38 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1lmt n GLY 16 N 0.96 0.58 0.08 -0.72 0.00 -0.82 -4.99 105.19 100.29 1lmt n GLY 16 Ca 0.17 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.52 1lmt n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1lmt h MET 17 N 0.00 0.00 -6.40 1.61 2.86 -1.51 -3.41 114.93 108.08 1lmt h MET 17 Ca 0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 1lmt h MET 17 Cb 0.71 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.32 1lmt h MET 17 CO 0.00 0.00 1.17 0.34 1.06 0.00 0.00 176.91 179.48 1lmt s ASP 18 N -4.41 6.10 0.00 1.22 2.15 -1.26 -2.40 116.67 118.07 1lmt s ASP 18 Ca 0.06 0.99 0.00 0.00 0.43 0.00 0.00 52.55 54.03 1lmt s ASP 18 Cb 0.13 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 1lmt s ASP 18 CO 0.72 -1.60 0.00 0.61 -0.17 0.00 0.00 175.17 174.73 1lmt n GLY 19 N 5.26 0.72 3.68 2.66 0.00 0.04 -4.87 105.19 112.69 1lmt n GLY 19 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1lmt n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1lmt n TYR 20 N -2.44 2.60 -3.57 1.61 9.36 -1.01 -1.71 117.16 121.99 1lmt n TYR 20 Ca 0.00 -0.20 -0.26 0.00 3.32 0.00 0.00 57.90 60.76 1lmt n TYR 20 Cb 0.00 -2.75 -0.01 0.00 -0.63 0.00 0.00 39.34 35.95 1lmt n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1lmt n ARG 21 N 6.06 -3.10 -1.13 2.98 5.12 -1.26 -1.59 116.66 123.74 1lmt n ARG 21 Ca 0.18 0.39 -0.05 0.00 -1.93 0.00 0.00 57.85 56.45 1lmt n ARG 21 Cb 0.38 -5.08 -0.02 0.00 -1.16 0.00 0.00 32.46 26.58 1lmt n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1lmt n GLY 22 N -1.16 0.73 3.38 -0.13 0.00 -0.70 -5.01 105.19 102.30 1lmt n GLY 22 Ca 0.02 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 1lmt n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lmt s ILE 23 N -2.12 3.70 0.73 -0.61 1.01 -0.62 -4.94 121.20 118.35 1lmt s ILE 23 Ca 0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 60.65 60.12 1lmt s ILE 23 Cb 0.00 -2.69 0.04 0.00 0.01 0.00 0.00 42.46 39.82 1lmt s ILE 23 CO 0.00 0.41 1.17 -0.94 0.00 0.00 0.00 174.94 175.58 1lmt s SER 24 N 1.32 4.34 0.33 3.58 1.04 -1.26 -0.78 113.70 122.27 1lmt s SER 24 Ca 0.04 2.22 0.03 0.00 0.48 0.00 0.00 55.95 58.72 1lmt s SER 24 Cb -0.15 -2.57 0.64 0.00 0.10 0.00 0.00 66.02 64.04 1lmt s SER 24 CO -0.00 -2.16 1.93 0.25 0.98 0.00 0.00 173.24 174.24 1lmt h LEU 25 N -0.39 0.79 -1.14 2.42 5.85 -1.90 -1.66 115.31 119.27 1lmt h LEU 25 Ca -0.47 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.32 1lmt h LEU 25 Cb 1.28 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 1lmt h LEU 25 CO 0.50 0.50 0.59 0.00 -0.34 0.00 0.00 178.44 179.70 1lmt h ALA 26 N 1.56 1.51 -0.44 1.25 0.00 -1.92 -1.06 119.26 120.17 1lmt h ALA 26 Ca 0.36 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 1lmt h ALA 26 Cb 0.25 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1lmt h ALA 26 CO -0.13 0.35 -0.01 -0.91 0.00 0.00 0.00 179.25 178.55 1lmt h ASN 27 N 1.03 0.76 -0.70 0.00 2.35 -1.62 -0.22 115.58 117.19 1lmt h ASN 27 Ca 0.39 -0.31 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1lmt h ASN 27 Cb 0.20 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 1lmt h ASN 27 CO -0.15 0.89 0.31 -0.50 -1.65 0.00 0.00 177.43 176.33 1lmt h TRP 28 N 0.61 1.04 -0.32 1.19 4.06 -1.11 -1.00 115.95 120.43 1lmt h TRP 28 Ca 0.12 -0.07 -0.00 0.00 2.06 0.00 0.00 58.89 61.01 1lmt h TRP 28 Cb 0.50 -0.32 -0.02 0.00 -1.00 0.00 0.00 29.16 28.33 1lmt h TRP 28 CO 0.04 0.79 0.20 0.52 -3.56 0.00 0.00 178.44 176.43 1lmt h MET 29 N 0.99 0.43 -0.50 0.49 2.86 -0.97 -0.45 114.93 117.78 1lmt h MET 29 Ca 0.24 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.89 1lmt h MET 29 Cb 0.17 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.69 1lmt h MET 29 CO -0.02 0.32 0.23 0.00 1.06 0.00 0.00 176.91 178.50 1lmt h LEU 31 N 0.45 -0.31 -1.18 0.00 5.85 -0.85 -2.37 115.31 116.90 1lmt h LEU 31 Ca 0.23 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.93 1lmt h LEU 31 Cb 0.17 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1lmt h LEU 31 CO -0.18 -0.20 0.08 0.00 -0.34 0.00 0.00 178.44 177.80 1lmt h ALA 32 N 0.51 1.34 0.48 1.25 0.00 -0.85 -0.12 119.26 121.86 1lmt h ALA 32 Ca -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1lmt h ALA 32 Cb 0.26 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1lmt h ALA 32 CO 0.00 0.47 -0.23 -0.22 0.00 0.00 0.00 179.25 179.27 1lmt h LYS 33 N 0.63 -0.62 0.00 0.00 3.11 -1.05 -2.11 116.57 116.53 1lmt h LYS 33 Ca 0.14 0.04 -0.11 0.00 -2.81 0.00 0.00 60.65 57.92 1lmt h LYS 33 Cb 0.27 0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.63 1lmt h LYS 33 CO 0.00 -0.41 -0.52 -1.49 -2.81 0.00 0.00 179.45 174.22 1lmt h TRP 34 N -0.65 0.00 0.01 1.91 4.06 -1.29 0.19 115.95 120.16 1lmt h TRP 34 Ca -0.07 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.88 1lmt h TRP 34 Cb 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.66 1lmt h TRP 34 CO -0.04 0.52 -0.00 0.93 -3.56 0.00 0.00 178.44 176.28 1lmt h GLU 35 N 0.00 -0.01 0.00 0.49 4.39 -1.01 -3.43 114.58 115.02 1lmt h GLU 35 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1lmt h GLU 35 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1lmt h GLU 35 CO 0.07 0.74 0.00 -1.13 -1.16 0.00 0.00 179.01 177.52 1lmt n SER 36 N -4.73 0.23 -1.01 1.42 3.41 -0.84 -4.88 113.62 107.21 1lmt n SER 36 Ca -0.09 -0.59 -0.09 0.00 -0.26 0.00 0.00 58.87 57.83 1lmt n SER 36 Cb 0.37 0.27 -0.01 0.00 -0.26 0.00 0.00 64.21 64.57 1lmt n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lmt n GLY 37 N 0.27 0.11 2.30 5.00 0.00 0.05 -2.67 105.19 110.24 1lmt n GLY 37 Ca 0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 1lmt n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1lmt n TYR 38 N -3.87 -0.73 -3.72 1.61 4.01 -1.10 -4.79 117.16 108.57 1lmt n TYR 38 Ca -0.11 0.03 -0.37 0.00 -0.16 0.00 0.00 57.90 57.29 1lmt n TYR 38 Cb 0.55 -3.04 -0.12 0.00 -0.31 0.00 0.00 39.34 36.42 1lmt n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1lmt s ASN 39 N -2.40 5.28 0.53 7.72 2.47 -1.09 -1.21 114.94 126.24 1lmt s ASN 39 Ca 0.02 -0.30 0.32 0.00 0.42 0.00 0.00 52.86 53.32 1lmt s ASN 39 Cb -0.01 -1.95 1.22 0.00 -1.45 0.00 0.00 41.25 39.06 1lmt s ASN 39 CO 0.02 -0.08 1.93 0.71 -3.72 0.00 0.00 177.10 175.96 1lmt h THR 40 N 5.58 0.06 -0.17 -5.21 1.35 -1.45 -3.13 112.91 109.94 1lmt h THR 40 Ca -0.36 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 1lmt h THR 40 Cb 1.17 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 1lmt h THR 40 CO 0.59 0.02 0.00 -2.11 -0.25 0.00 0.00 175.52 173.77 1lmt n ARG 41 N -3.12 2.03 -1.79 4.72 1.85 -1.26 -4.02 116.66 115.06 1lmt n ARG 41 Ca 0.01 -1.54 -0.41 0.00 -1.00 0.00 0.00 57.85 54.91 1lmt n ARG 41 Cb 0.34 -1.45 -0.01 0.00 -1.05 0.00 0.00 32.46 30.28 1lmt n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1lmt s ALA 42 N -1.79 3.69 0.01 2.89 0.00 -1.21 -4.79 121.76 120.56 1lmt s ALA 42 Ca 0.34 1.56 -0.02 0.00 0.00 0.00 0.00 51.96 53.85 1lmt s ALA 42 Cb 0.20 -3.63 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 1lmt s ALA 42 CO 0.30 -1.00 0.02 0.95 0.00 0.00 0.00 175.76 176.04 1lmt s THR 43 N -0.32 0.08 -0.11 0.00 -4.23 -1.26 -0.21 115.64 109.58 1lmt s THR 43 Ca 0.60 -0.66 -0.04 0.00 -1.18 0.00 0.00 61.69 60.41 1lmt s THR 43 Cb -0.47 -0.26 0.06 0.00 1.34 0.00 0.00 72.50 73.17 1lmt s THR 43 CO 0.52 -0.36 0.22 0.21 -0.54 0.00 0.00 174.62 174.66 1lmt s ASN 44 N -1.11 0.59 -0.03 3.99 2.47 -0.57 -4.98 114.94 115.29 1lmt s ASN 44 Ca -0.12 0.43 -0.18 0.00 0.42 0.00 0.00 52.86 53.40 1lmt s ASN 44 Cb -0.07 0.50 -0.05 0.00 -1.45 0.00 0.00 41.25 40.17 1lmt s ASN 44 CO -0.00 -0.25 0.52 -0.47 -3.72 0.00 0.00 177.10 173.18 1lmt s TYR 45 N 2.36 3.65 -0.80 0.43 5.04 -1.26 -0.77 117.35 126.00 1lmt s TYR 45 Ca 0.02 1.07 -0.15 0.00 -2.44 0.00 0.00 57.07 55.57 1lmt s TYR 45 Cb -0.12 -2.52 0.19 0.00 0.35 0.00 0.00 41.96 39.86 1lmt s TYR 45 CO -0.08 0.37 0.79 -0.80 -1.34 0.00 0.00 175.55 174.50 1lmt s ASN 46 N -0.19 6.65 0.45 4.32 0.01 0.44 -4.90 114.94 121.72 1lmt s ASN 46 Ca 0.28 -2.42 0.15 0.00 -0.71 0.00 0.00 52.86 50.15 1lmt s ASN 46 Cb -0.17 -2.24 1.08 0.00 0.41 0.00 0.00 41.25 40.33 1lmt s ASN 46 CO 0.14 -0.71 2.01 0.00 -1.51 0.00 0.00 177.10 177.03 1lmt h ALA 47 N 8.14 2.04 -0.59 0.60 0.00 -1.95 0.19 119.26 127.69 1lmt h ALA 47 Ca 0.05 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1lmt h ALA 47 Cb 1.05 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1lmt h ALA 47 CO 0.86 -0.15 0.39 0.78 0.00 0.00 0.00 179.25 181.13 1lmt h GLY 48 N 0.33 0.69 0.00 0.00 0.00 -1.95 -3.30 103.07 98.84 1lmt h GLY 48 Ca 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1lmt h GLY 48 CO -0.05 0.17 0.00 2.09 0.00 0.00 0.00 176.54 178.74 1lmt n ASP 49 N -4.48 0.45 -1.81 0.19 5.75 -0.77 -5.03 116.55 110.85 1lmt n ASP 49 Ca 0.08 -1.20 -0.18 0.00 -0.01 0.00 0.00 54.79 53.49 1lmt n ASP 49 Cb 0.25 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.30 1lmt n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1lmt n ARG 50 N -0.10 -1.37 -3.83 0.11 1.74 0.58 -4.74 116.66 109.06 1lmt n ARG 50 Ca 0.00 0.96 -0.21 0.00 -0.77 0.00 0.00 57.85 57.82 1lmt n ARG 50 Cb 0.38 -5.37 -0.04 0.00 -1.02 0.00 0.00 32.46 26.41 1lmt n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1lmt s SER 51 N -2.40 5.17 0.04 0.55 1.04 -1.21 -4.33 113.70 112.55 1lmt s SER 51 Ca 0.00 -0.57 0.05 0.00 0.48 0.00 0.00 55.95 55.91 1lmt s SER 51 Cb 0.00 -0.89 -0.02 0.00 0.10 0.00 0.00 66.02 65.21 1lmt s SER 51 CO 0.00 -0.38 -0.15 -0.89 0.98 0.00 0.00 173.24 172.80 1lmt s THR 52 N -2.34 1.20 -0.19 2.02 2.01 -1.26 -0.42 115.64 116.66 1lmt s THR 52 Ca 0.41 -1.01 -0.09 0.00 0.31 0.00 0.00 61.69 61.32 1lmt s THR 52 Cb -0.05 -1.07 -0.05 0.00 0.01 0.00 0.00 72.50 71.34 1lmt s THR 52 CO 0.26 0.05 0.11 -1.81 -0.69 0.00 0.00 174.62 172.55 1lmt s ASP 53 N -1.10 6.07 -0.03 3.53 1.01 0.05 -0.87 116.67 125.34 1lmt s ASP 53 Ca 0.03 0.22 0.06 0.00 0.71 0.00 0.00 52.55 53.57 1lmt s ASP 53 Cb -0.08 -2.05 -0.01 0.00 1.01 0.00 0.00 42.92 41.79 1lmt s ASP 53 CO 0.01 0.21 -0.21 -0.31 0.21 0.00 0.00 175.17 175.07 1lmt s TYR 54 N 0.19 2.00 0.00 4.23 2.02 -0.11 -1.51 117.35 124.17 1lmt s TYR 54 Ca 0.08 -0.46 0.00 0.00 -0.37 0.00 0.00 57.07 56.31 1lmt s TYR 54 Cb -0.11 -1.30 0.00 0.00 -0.40 0.00 0.00 41.96 40.14 1lmt s TYR 54 CO -0.01 -0.10 0.00 0.41 -1.57 0.00 0.00 175.55 174.29 1lmt n GLY 55 N 2.74 -1.75 0.27 0.71 0.00 0.70 -1.79 105.19 106.07 1lmt n GLY 55 Ca -0.16 -1.33 0.09 0.00 0.00 0.00 0.00 46.02 44.62 1lmt n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1lmt h ILE 56 N 0.00 0.98 -0.03 -0.61 2.10 -1.68 -1.45 117.51 116.82 1lmt h ILE 56 Ca 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.93 1lmt h ILE 56 Cb 0.00 0.96 0.00 0.00 -1.09 0.00 0.00 36.82 36.69 1lmt h ILE 56 CO 0.00 0.00 -0.01 0.49 -1.08 0.00 0.00 178.15 177.56 1lmt n PHE 57 N -4.52 0.00 -3.71 2.19 3.72 -1.26 -3.95 117.46 109.93 1lmt n PHE 57 Ca -0.01 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.14 1lmt n PHE 57 Cb 0.14 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.71 1lmt n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1lmt n GLN 58 N 1.15 -3.37 -2.41 -1.08 1.13 -0.55 -4.92 117.38 107.34 1lmt n GLN 58 Ca 0.12 0.55 -0.42 0.00 -1.94 0.00 0.00 57.00 55.31 1lmt n GLN 58 Cb 0.52 -4.81 -0.03 0.00 0.11 0.00 0.00 30.24 26.03 1lmt n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1lmt s ILE 59 N -3.65 3.94 0.09 5.09 1.01 -0.74 -4.48 121.20 122.45 1lmt s ILE 59 Ca 0.17 1.42 -0.22 0.00 0.00 0.00 0.00 60.65 62.01 1lmt s ILE 59 Cb -0.05 -3.91 -0.07 0.00 0.01 0.00 0.00 42.46 38.44 1lmt s ILE 59 CO 0.84 0.13 0.67 0.21 0.00 0.00 0.00 174.94 176.78 1lmt s ASN 60 N 0.92 7.18 0.33 3.58 3.84 -1.26 -0.93 114.94 128.59 1lmt s ASN 60 Ca 0.58 1.40 0.26 0.00 0.21 0.00 0.00 52.86 55.31 1lmt s ASN 60 Cb -0.30 -2.42 1.11 0.00 -0.55 0.00 0.00 41.25 39.08 1lmt s ASN 60 CO 0.30 0.19 1.77 0.77 -2.79 0.00 0.00 177.10 177.34 1lmt h SER 61 N 4.81 0.00 -0.34 -4.21 4.64 -1.28 -2.92 113.55 114.24 1lmt h SER 61 Ca -0.47 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.79 1lmt h SER 61 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 1lmt h SER 61 CO 0.66 0.00 0.02 -0.09 -0.87 0.00 0.00 176.83 176.55 1lmt h ARG 62 N 0.00 0.68 0.00 4.77 2.43 -1.84 -3.36 114.38 117.06 1lmt h ARG 62 Ca 0.00 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1lmt h ARG 62 Cb 0.34 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1lmt h ARG 62 CO 0.00 0.69 -0.87 0.66 -1.51 0.00 0.00 179.97 178.93 1lmt n TYR 63 N -4.25 0.00 -0.03 2.20 4.01 -1.24 -4.59 117.16 113.26 1lmt n TYR 63 Ca 0.02 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.79 1lmt n TYR 63 Cb 0.27 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.16 1lmt n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1lmt n TRP 64 N -1.35 0.00 -4.04 -0.72 7.02 -1.10 -0.98 117.44 116.27 1lmt n TRP 64 Ca 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.38 1lmt n TRP 64 Cb 0.00 -0.54 -0.08 0.00 -2.42 0.00 0.00 31.31 28.28 1lmt n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1lmt s ASN 66 N -3.02 5.07 0.00 0.00 2.47 0.25 -4.63 114.94 115.07 1lmt s ASN 66 Ca 0.23 -0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.38 1lmt s ASN 66 Cb 0.04 -1.87 0.00 0.00 -1.45 0.00 0.00 41.25 37.96 1lmt s ASN 66 CO 0.04 0.08 0.52 -0.90 -3.72 0.00 0.00 177.10 173.12 1lmt n ASP 67 N 4.17 1.02 0.00 -4.21 5.68 -1.26 -0.95 116.55 121.00 1lmt n ASP 67 Ca -0.17 -1.13 0.00 0.00 -0.50 0.00 0.00 54.79 52.99 1lmt n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1lmt n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lmt n GLY 68 N -0.07 1.03 3.10 6.12 0.00 -1.26 -4.77 105.19 109.34 1lmt n GLY 68 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1lmt n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1lmt n LYS 69 N 0.00 2.95 -3.24 1.61 2.85 -1.26 -4.88 118.16 116.19 1lmt n LYS 69 Ca 0.00 -4.49 0.03 0.00 -1.05 0.00 0.00 58.31 52.80 1lmt n LYS 69 Cb 0.00 -2.44 -0.02 0.00 -0.65 0.00 0.00 35.03 31.93 1lmt n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1lmt s THR 70 N -1.55 -0.98 0.00 0.58 2.01 -1.26 -4.77 115.64 109.67 1lmt s THR 70 Ca 0.29 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.29 1lmt s THR 70 Cb -0.05 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.46 1lmt s THR 70 CO -0.09 0.00 0.00 -0.81 -0.69 0.00 0.00 174.62 173.03 1lmt n PRO 71 N 5.43 0.00 -0.74 4.92 -0.04 -1.26 -4.74 135.00 138.57 1lmt n PRO 71 Ca -0.03 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.38 1lmt n PRO 71 Cb 0.51 -0.10 -0.05 0.00 -0.04 0.00 0.00 33.50 33.82 1lmt n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1lmt n GLY 72 N 2.39 -0.10 3.59 0.55 0.00 -1.26 -4.70 105.19 105.65 1lmt n GLY 72 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1lmt n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lmt s ALA 73 N 0.00 -2.29 -0.39 4.61 0.00 -1.26 -5.02 121.76 117.42 1lmt s ALA 73 Ca 0.27 2.22 -0.02 0.00 0.00 0.00 0.00 51.96 54.43 1lmt s ALA 73 Cb -0.17 -1.75 0.10 0.00 0.00 0.00 0.00 23.12 21.30 1lmt s ALA 73 CO 0.12 -0.57 0.17 0.54 0.00 0.00 0.00 175.76 176.02 1lmt s VAL 74 N 1.85 3.16 -0.50 0.00 0.11 -1.26 -5.07 120.40 118.68 1lmt s VAL 74 Ca -0.07 -2.02 -0.23 0.00 -2.93 0.00 0.00 61.98 56.73 1lmt s VAL 74 Cb -0.05 -3.15 0.04 0.00 -1.53 0.00 0.00 36.38 31.68 1lmt s VAL 74 CO -0.17 -0.63 0.83 0.00 -3.33 0.00 0.00 175.10 171.80 1lmt s ARG 74 N 3.46 3.14 5.88 0.00 6.06 -1.26 -4.88 118.95 131.34 1lmt s ARG 74 Ca 0.28 -0.88 0.00 0.00 -2.50 0.00 0.00 55.73 52.62 1lmt s ARG 74 Cb -0.13 -3.80 0.00 0.00 0.06 0.00 0.00 34.95 31.08 1lmt s ARG 74 CO 0.19 -0.60 0.00 0.41 -2.50 0.00 0.00 175.30 172.81 1lmt n GLY 74 N 5.07 1.32 0.80 8.12 0.00 -1.26 -0.84 105.19 118.41 1lmt n GLY 74 Ca -0.12 0.30 0.07 0.00 0.00 0.00 0.00 46.02 46.27 1lmt n GLY 74 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1lmt n ASP 74 N 11.40 3.34 0.26 1.61 5.75 -1.26 -4.74 116.55 132.90 1lmt n ASP 74 Ca 0.00 -2.28 0.17 0.00 -0.01 0.00 0.00 54.79 52.67 1lmt n ASP 74 Cb 0.00 -0.34 0.78 0.00 -1.03 0.00 0.00 41.12 40.53 1lmt n ASP 74 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1lmt h SER 74 N 2.22 0.00 0.00 -1.12 4.64 -1.33 0.04 113.55 118.01 1lmt h SER 74 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lmt h SER 74 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1lmt h SER 74 CO 0.07 0.00 -0.54 0.00 -0.87 0.00 0.00 176.83 175.50 1lmt n ASN 75 N -0.25 -1.70 0.24 0.00 5.15 -0.05 -3.90 115.26 114.76 1lmt n ASN 75 Ca 0.09 -3.08 0.12 0.00 -0.60 0.00 0.00 54.58 51.10 1lmt n ASN 75 Cb 0.45 0.88 0.59 0.00 -0.53 0.00 0.00 39.78 41.17 1lmt n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1lmt h ALA 76 N 3.97 1.11 -0.00 5.20 0.00 -0.51 -2.10 119.26 126.93 1lmt h ALA 76 Ca -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1lmt h ALA 76 Cb 0.97 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1lmt h ALA 76 CO 0.38 0.21 -0.17 0.00 0.00 0.00 0.00 179.25 179.67 1lmt n HIS 78 N -1.39 -2.25 -3.89 0.00 -0.00 -0.79 -4.95 115.22 101.94 1lmt n HIS 78 Ca 0.08 0.94 -0.11 0.00 -0.00 0.00 0.00 57.72 58.64 1lmt n HIS 78 Cb 0.32 -5.05 -0.10 0.00 -0.00 0.00 0.00 29.99 25.16 1lmt n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1lmt s LEU 79 N -6.47 1.72 0.34 2.41 1.43 -1.26 -5.08 118.68 111.77 1lmt s LEU 79 Ca 0.06 -0.26 -0.27 0.00 -1.03 0.00 0.00 54.13 52.63 1lmt s LEU 79 Cb -0.03 0.53 -0.09 0.00 0.03 0.00 0.00 46.19 46.63 1lmt s LEU 79 CO 0.73 -0.34 1.11 -0.55 0.23 0.00 0.00 176.35 177.53 1lmt s SER 80 N -1.33 6.95 0.56 2.29 0.15 -1.26 -0.58 113.70 120.48 1lmt s SER 80 Ca -0.14 2.24 0.27 0.00 0.70 0.00 0.00 55.95 59.01 1lmt s SER 80 Cb -0.08 -2.61 1.51 0.00 -1.71 0.00 0.00 66.02 63.13 1lmt s SER 80 CO 0.01 -0.36 2.04 0.00 1.20 0.00 0.00 173.24 176.12 1lmt h SER 82 N 0.00 0.32 0.29 0.00 0.87 -1.90 -0.60 113.55 112.52 1lmt h SER 82 Ca 0.16 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 1lmt h SER 82 Cb 0.74 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1lmt h SER 82 CO -0.00 0.16 -0.08 0.00 -0.53 0.00 0.00 176.83 176.37 1lmt h ALA 83 N 1.65 1.31 -0.11 6.23 0.00 -1.54 -1.71 119.26 125.09 1lmt h ALA 83 Ca 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1lmt h ALA 83 Cb 0.96 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1lmt h ALA 83 CO -0.10 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1lmt n LEU 84 N -3.63 0.83 -0.27 0.00 4.77 -0.23 -3.45 117.00 115.01 1lmt n LEU 84 Ca -0.02 -0.37 0.03 0.00 -0.03 0.00 0.00 56.01 55.62 1lmt n LEU 84 Cb 0.20 -0.07 0.07 0.00 -2.33 0.00 0.00 43.42 41.29 1lmt n LEU 84 CO 0.29 0.19 0.56 0.18 -1.33 0.00 0.00 177.39 177.27 1lmt n LEU 85 N -0.17 2.43 -4.88 2.23 4.77 -0.64 -3.38 117.00 117.35 1lmt n LEU 85 Ca 0.12 -2.09 -0.30 0.00 -0.03 0.00 0.00 56.01 53.71 1lmt n LEU 85 Cb 0.17 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1lmt n LEU 85 CO 0.09 0.60 0.68 -1.10 -1.33 0.00 0.00 177.39 176.33 1lmt s GLN 86 N -1.15 3.32 0.28 3.23 -0.21 -1.22 -4.53 119.66 119.38 1lmt s GLN 86 Ca 0.12 0.55 0.05 0.00 0.02 0.00 0.00 55.36 56.10 1lmt s GLN 86 Cb 0.07 -2.11 0.41 0.00 1.00 0.00 0.00 33.01 32.38 1lmt s GLN 86 CO 0.06 -0.68 1.68 -0.44 -2.12 0.00 0.00 175.29 173.79 1lmt h ASP 87 N -0.35 0.29 -3.34 5.90 5.19 -1.93 -3.41 116.42 118.77 1lmt h ASP 87 Ca -0.45 -0.13 -0.57 0.00 -0.62 0.00 0.00 57.03 55.27 1lmt h ASP 87 Cb 1.22 -0.08 -0.05 0.00 0.18 0.00 0.00 39.33 40.59 1lmt h ASP 87 CO 0.62 0.69 0.31 0.21 -3.12 0.00 0.00 179.24 177.95 1lmt s ASN 88 N -6.88 7.05 -0.03 6.45 3.84 -1.26 -4.82 114.94 119.29 1lmt s ASN 88 Ca -0.05 1.28 0.15 0.00 0.21 0.00 0.00 52.86 54.45 1lmt s ASN 88 Cb 0.13 -2.47 0.49 0.00 -0.55 0.00 0.00 41.25 38.85 1lmt s ASN 88 CO 0.78 -0.30 1.39 2.30 -2.79 0.00 0.00 177.10 178.48 1lmt n ILE 89 N 4.31 0.95 -0.11 -5.21 -5.35 -1.26 -4.50 119.36 108.19 1lmt n ILE 89 Ca 0.03 -0.76 -0.05 0.00 -0.27 0.00 0.00 62.75 61.70 1lmt n ILE 89 Cb 0.50 0.22 0.02 0.00 -1.74 0.00 0.00 39.64 38.63 1lmt n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1lmt h ALA 90 N 3.86 0.35 -0.60 -1.28 0.00 -1.95 0.96 119.26 120.60 1lmt h ALA 90 Ca 0.00 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1lmt h ALA 90 Cb 0.87 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1lmt h ALA 90 CO 0.07 -0.38 -0.03 -0.44 0.00 0.00 0.00 179.25 178.47 1lmt h ASP 91 N 0.12 1.05 -0.68 0.00 3.32 -1.88 -1.35 116.42 117.00 1lmt h ASP 91 Ca 0.18 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1lmt h ASP 91 Cb 0.24 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1lmt h ASP 91 CO -0.28 1.11 0.39 0.00 -1.72 0.00 0.00 179.24 178.74 1lmt h ALA 92 N 0.99 0.87 -0.26 3.45 0.00 -1.66 -0.94 119.26 121.70 1lmt h ALA 92 Ca 0.17 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1lmt h ALA 92 Cb 0.59 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1lmt h ALA 92 CO 0.04 0.36 0.06 0.28 0.00 0.00 0.00 179.25 179.99 1lmt h VAL 93 N 0.93 1.22 -0.89 0.00 2.07 -0.64 0.95 116.25 119.88 1lmt h VAL 93 Ca 0.24 -0.71 0.06 0.00 0.82 0.00 0.00 66.70 67.12 1lmt h VAL 93 Cb 0.01 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 1lmt h VAL 93 CO -0.04 0.23 0.58 0.00 0.02 0.00 0.00 177.57 178.36 1lmt h ALA 94 N 0.88 1.52 -0.13 1.67 0.00 -0.98 -0.54 119.26 121.69 1lmt h ALA 94 Ca 0.08 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1lmt h ALA 94 Cb 0.29 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1lmt h ALA 94 CO 0.00 0.34 -0.18 0.00 0.00 0.00 0.00 179.25 179.41 1lmt h ALA 96 N 0.56 1.33 -0.88 0.00 0.00 -0.49 -0.39 119.26 119.40 1lmt h ALA 96 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1lmt h ALA 96 Cb 0.74 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1lmt h ALA 96 CO 0.04 0.28 0.52 0.87 0.00 0.00 0.00 179.25 180.97 1lmt h LYS 97 N 1.01 1.20 -0.59 0.00 1.57 -0.95 -1.79 116.57 117.02 1lmt h LYS 97 Ca 0.43 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.99 1lmt h LYS 97 Cb 0.28 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1lmt h LYS 97 CO -0.21 0.85 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.41 1lmt h ARG 98 N 1.22 1.05 -0.22 3.15 9.65 -0.67 -2.91 114.38 125.64 1lmt h ARG 98 Ca 0.32 -0.34 0.05 0.00 -1.10 0.00 0.00 59.98 58.91 1lmt h ARG 98 Cb -0.04 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 28.40 1lmt h ARG 98 CO -0.06 1.03 -0.08 0.28 2.80 0.00 0.00 179.97 183.94 1lmt h VAL 99 N 0.95 0.72 0.00 0.20 2.07 -0.28 -2.24 116.25 117.67 1lmt h VAL 99 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1lmt h VAL 99 Cb 0.57 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1lmt h VAL 99 CO 0.03 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.95 1lmt n VAL 100 N -5.24 0.51 0.36 2.57 0.24 -0.86 -2.35 118.33 113.54 1lmt n VAL 100 Ca -0.02 0.13 0.14 0.00 -2.04 0.00 0.00 64.34 62.55 1lmt n VAL 100 Cb 0.16 -0.81 0.46 0.00 -1.47 0.00 0.00 33.84 32.19 1lmt n VAL 100 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1lmt h ARG 101 N 0.00 0.00 -7.37 7.34 3.08 -1.21 -3.38 114.38 112.85 1lmt h ARG 101 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 1lmt h ARG 101 Cb 0.23 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.35 1lmt h ARG 101 CO 0.00 0.00 0.41 -0.51 -1.07 0.00 0.00 179.97 178.80 1lmt s ASP 102 N -5.27 5.92 0.28 7.04 1.11 -0.99 -4.97 116.67 119.78 1lmt s ASP 102 Ca 0.05 1.43 0.02 0.00 0.18 0.00 0.00 52.55 54.23 1lmt s ASP 102 Cb 0.09 -2.41 0.62 0.00 1.07 0.00 0.00 42.92 42.28 1lmt s ASP 102 CO 0.55 -1.07 1.75 -0.65 1.18 0.00 0.00 175.17 176.93 1lmt h PRO 103 N -0.46 0.60 0.00 8.23 0.11 -1.88 -1.42 132.00 137.19 1lmt h PRO 103 Ca -0.44 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1lmt h PRO 103 Cb 1.20 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1lmt h PRO 103 CO 0.61 0.40 -0.07 1.96 -0.21 0.00 0.00 178.00 180.69 1lmt h GLN 104 N 0.62 0.00 0.00 1.05 4.20 -1.91 -3.48 115.11 115.60 1lmt h GLN 104 Ca 0.51 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.22 1lmt h GLN 104 Cb 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1lmt h GLN 104 CO -0.40 0.07 0.00 0.41 -0.67 0.00 0.00 178.83 178.24 1lmt n GLY 105 N -0.91 3.00 0.28 3.46 0.00 -0.54 -1.62 105.19 108.86 1lmt n GLY 105 Ca -0.02 -0.35 0.19 0.00 0.00 0.00 0.00 46.02 45.83 1lmt n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1lmt h ILE 106 N 0.00 0.00 0.00 -0.61 6.09 -1.91 -1.90 117.51 119.19 1lmt h ILE 106 Ca 0.00 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.45 1lmt h ILE 106 Cb 0.00 0.88 0.00 0.00 0.47 0.00 0.00 36.82 38.17 1lmt h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1lmt n ARG 107 N -2.81 0.14 0.30 2.19 1.74 -0.64 -2.27 116.66 115.31 1lmt n ARG 107 Ca -0.02 0.19 0.17 0.00 -0.77 0.00 0.00 57.85 57.42 1lmt n ARG 107 Cb 0.08 -1.50 0.96 0.00 -1.02 0.00 0.00 32.46 30.97 1lmt n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lmt h ALA 108 N 2.54 1.27 -2.82 7.54 0.00 -1.50 -3.40 119.26 122.89 1lmt h ALA 108 Ca 0.00 -0.03 -0.66 0.00 0.00 0.00 0.00 54.91 54.22 1lmt h ALA 108 Cb 0.12 -0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.72 1lmt h ALA 108 CO 0.00 0.04 -0.51 -1.58 0.00 0.00 0.00 179.25 177.20 1lmt s TRP 109 N -4.31 3.21 0.24 0.00 0.51 -0.96 -4.97 118.94 112.66 1lmt s TRP 109 Ca -0.04 -0.12 -0.07 0.00 -2.12 0.00 0.00 56.10 53.75 1lmt s TRP 109 Cb 0.14 -2.41 0.22 0.00 -0.81 0.00 0.00 33.47 30.60 1lmt s TRP 109 CO 0.51 -0.29 1.86 -0.39 -0.51 0.00 0.00 176.95 178.14 1lmt h VAL 110 N 5.46 1.26 -0.82 4.03 -1.51 -1.89 -2.26 116.25 120.52 1lmt h VAL 110 Ca -0.33 -0.64 0.16 0.00 -1.23 0.00 0.00 66.70 64.66 1lmt h VAL 110 Cb 1.17 0.03 -0.06 0.00 -2.13 0.00 0.00 31.29 30.30 1lmt h VAL 110 CO 0.60 0.29 0.54 0.00 -1.23 0.00 0.00 177.57 177.77 1lmt h ALA 111 N 1.28 2.07 -0.30 5.19 0.00 -1.95 -0.63 119.26 124.92 1lmt h ALA 111 Ca 0.32 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 1lmt h ALA 111 Cb 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1lmt h ALA 111 CO -0.05 -0.30 -0.12 2.35 0.00 0.00 0.00 179.25 181.13 1lmt h TRP 112 N 0.48 0.70 0.11 0.00 7.01 -1.73 -0.50 115.95 122.01 1lmt h TRP 112 Ca 0.41 -0.17 0.01 0.00 2.11 0.00 0.00 58.89 61.25 1lmt h TRP 112 Cb 0.89 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.77 1lmt h TRP 112 CO -0.00 0.83 -0.13 0.00 -2.79 0.00 0.00 178.44 176.35 1lmt h ARG 113 N 0.37 -0.26 -0.24 2.65 3.08 -1.03 0.70 114.38 119.64 1lmt h ARG 113 Ca 0.07 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1lmt h ARG 113 Cb 0.64 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1lmt h ARG 113 CO 0.04 -0.17 0.09 -0.91 -1.07 0.00 0.00 179.97 177.95 1lmt h ASN 114 N -0.27 0.33 -0.00 7.04 2.35 -1.40 -3.34 115.58 120.29 1lmt h ASN 114 Ca 0.01 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1lmt h ASN 114 Cb 0.27 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1lmt h ASN 114 CO -0.05 0.40 -0.45 0.54 -1.65 0.00 0.00 177.43 176.22 1lmt n ARG 115 N -4.79 2.80 0.00 0.81 5.12 -0.20 -4.83 116.66 115.56 1lmt n ARG 115 Ca -0.03 -0.21 0.00 0.00 -1.93 0.00 0.00 57.85 55.68 1lmt n ARG 115 Cb 0.13 -1.08 0.00 0.00 -1.16 0.00 0.00 32.46 30.35 1lmt n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1lmt n GLN 117 N -2.47 1.85 -3.31 0.00 7.27 0.04 -2.25 117.38 118.50 1lmt n GLN 117 Ca 0.00 0.66 -0.24 0.00 0.07 0.00 0.00 57.00 57.50 1lmt n GLN 117 Cb 0.44 -2.36 0.03 0.00 2.41 0.00 0.00 30.24 30.76 1lmt n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1lmt n ASN 118 N 2.81 -5.31 -4.44 1.69 5.03 -1.26 -4.97 115.26 108.81 1lmt n ASN 118 Ca 0.16 -0.42 -0.22 0.00 0.87 0.00 0.00 54.58 54.98 1lmt n ASN 118 Cb 0.27 -4.29 -0.10 0.00 -1.02 0.00 0.00 39.78 34.64 1lmt n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1lmt s ARG 119 N -6.00 1.58 -0.62 3.52 0.52 -0.95 -5.08 118.95 111.92 1lmt s ARG 119 Ca 0.42 -1.81 -0.26 0.00 -0.52 0.00 0.00 55.73 53.56 1lmt s ARG 119 Cb -0.20 -1.16 0.04 0.00 0.52 0.00 0.00 34.95 34.15 1lmt s ARG 119 CO 0.52 0.02 1.09 0.34 0.02 0.00 0.00 175.30 177.28 1lmt s ASP 120 N -3.46 6.30 0.00 0.23 2.15 -1.26 -4.84 116.67 115.78 1lmt s ASP 120 Ca 0.30 -0.37 0.24 0.00 0.43 0.00 0.00 52.55 53.16 1lmt s ASP 120 Cb 0.04 -2.49 0.59 0.00 -0.30 0.00 0.00 42.92 40.76 1lmt s ASP 120 CO 0.12 -1.47 1.48 1.33 -0.17 0.00 0.00 175.17 176.46 1lmt n VAL 121 N 6.31 0.15 0.09 1.11 0.24 -1.26 -4.35 118.33 120.62 1lmt n VAL 121 Ca 0.03 -0.45 0.07 0.00 -2.04 0.00 0.00 64.34 61.95 1lmt n VAL 121 Cb 0.48 0.89 0.53 0.00 -1.47 0.00 0.00 33.84 34.27 1lmt n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1lmt h ARG 122 N 3.51 0.29 -0.56 7.34 3.08 -1.92 -2.17 114.38 123.95 1lmt h ARG 122 Ca 0.00 -0.02 0.16 0.00 0.07 0.00 0.00 59.98 60.20 1lmt h ARG 122 Cb 0.76 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1lmt h ARG 122 CO 0.00 0.19 0.42 -0.56 -1.07 0.00 0.00 179.97 178.95 1lmt h GLN 123 N 0.30 0.00 0.00 0.04 3.07 -1.99 -2.06 115.11 114.47 1lmt h GLN 123 Ca 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.81 1lmt h GLN 123 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.66 1lmt h GLN 123 CO -0.02 0.00 -0.24 1.88 0.09 0.00 0.00 178.83 180.53 1lmt h TYR 124 N 0.00 0.00 -0.01 0.06 0.05 -1.72 -3.21 116.97 112.14 1lmt h TYR 124 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.05 1lmt h TYR 124 Cb 1.11 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.85 1lmt h TYR 124 CO 0.00 0.24 -0.28 1.33 -1.05 0.00 0.00 178.16 178.40 1lmt n VAL 125 N -4.08 0.00 -1.72 -2.88 0.24 -0.80 -4.84 118.33 104.25 1lmt n VAL 125 Ca -0.02 -0.36 -0.43 0.00 -2.04 0.00 0.00 64.34 61.49 1lmt n VAL 125 Cb 0.31 1.13 -0.03 0.00 -1.47 0.00 0.00 33.84 33.78 1lmt n VAL 125 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1lmt n GLN 126 N -0.30 2.60 -1.35 7.34 0.00 -1.04 -2.36 117.38 122.28 1lmt n GLN 126 Ca 0.05 0.93 -0.12 0.00 -0.00 0.00 0.00 57.00 57.86 1lmt n GLN 126 Cb 0.25 -2.73 -0.05 0.00 0.00 0.00 0.00 30.24 27.71 1lmt n GLN 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1lmt n GLY 127 N 3.07 1.28 0.01 1.69 0.00 -1.26 -4.89 105.19 105.09 1lmt n GLY 127 Ca 0.13 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.87 1lmt n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lmt n GLY 129 N 1.50 0.37 0.42 0.00 0.00 -1.26 -4.80 105.19 101.41 1lmt n GLY 129 Ca 0.05 -0.62 0.05 0.00 0.00 0.00 0.00 46.02 45.50 1lmt n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65