#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1s n ILE 3 N 0.00 0.00 -3.98 1.53 -0.00 -1.26 -4.74 119.36 110.91 3i1s n ILE 3 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 62.75 62.76 3i1s n ILE 3 Cb 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 39.64 39.50 3i1s n ILE 3 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 3i1s n LYS 4 N 2.39 0.01 0.01 0.38 4.76 -1.26 -4.97 118.16 119.49 3i1s n LYS 4 Ca 0.18 -0.17 0.11 0.00 -2.87 0.00 0.00 58.31 55.57 3i1s n LYS 4 Cb 0.00 0.31 -0.02 0.00 -1.84 0.00 0.00 35.03 33.49 3i1s n LYS 4 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3i1s n SER 5 N -0.33 0.62 -0.29 4.39 7.64 -1.26 -4.32 113.62 120.07 3i1s n SER 5 Ca 0.02 -0.37 0.04 0.00 1.01 0.00 0.00 58.87 59.57 3i1s n SER 5 Cb 0.17 0.97 0.19 0.00 -1.01 0.00 0.00 64.21 64.52 3i1s n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i1s h ALA 6 N 2.61 1.19 -0.02 -0.43 0.00 -1.93 -1.16 119.26 119.51 3i1s h ALA 6 Ca 0.00 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3i1s h ALA 6 Cb 0.70 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 3i1s h ALA 6 CO 0.00 0.00 -0.48 0.87 0.00 0.00 0.00 179.25 179.64 3i1s h LYS 7 N 0.70 -0.59 0.00 0.00 6.56 -1.85 0.30 116.57 121.68 3i1s h LYS 7 Ca 0.42 0.04 -0.04 0.00 -1.06 0.00 0.00 60.65 60.01 3i1s h LYS 7 Cb 0.49 0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 32.27 3i1s h LYS 7 CO -0.30 -0.40 -0.20 1.57 -2.06 0.00 0.00 179.45 178.07 3i1s h LYS 8 N -0.62 0.00 0.00 3.15 2.10 -1.79 -0.85 116.57 118.56 3i1s h LYS 8 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 3i1s h LYS 8 Cb 0.69 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 3i1s h LYS 8 CO -0.36 0.20 0.00 -0.09 -2.00 0.00 0.00 179.45 177.20 3i1s h ARG 9 N 0.00 0.00 0.00 0.07 9.65 0.27 0.39 114.38 124.75 3i1s h ARG 9 Ca -0.00 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 58.65 3i1s h ARG 9 Cb 0.56 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.10 3i1s h ARG 9 CO 0.03 0.00 -1.51 0.00 2.80 0.00 0.00 179.97 181.28 3i1s h ALA 10 N 2.20 0.70 0.13 2.80 0.00 0.38 -3.09 119.26 122.39 3i1s h ALA 10 Ca 0.00 -1.16 -0.20 0.00 0.00 0.00 0.00 54.91 53.55 3i1s h ALA 10 Cb 0.31 0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.47 3i1s h ALA 10 CO 0.00 1.27 -0.92 0.82 0.00 0.00 0.00 179.25 180.42 3i1s h ILE 11 N 0.00 1.41 0.00 0.00 2.04 -1.38 -1.79 117.51 117.79 3i1s h ILE 11 Ca -0.21 -2.49 0.00 0.00 1.00 0.00 0.00 64.86 63.15 3i1s h ILE 11 Cb 1.81 3.08 0.00 0.00 -0.74 0.00 0.00 36.82 40.97 3i1s h ILE 11 CO 0.07 0.70 0.12 1.67 0.00 0.00 0.00 178.15 180.71 3i1s n GLN 12 N -4.11 0.08 -0.11 2.37 7.27 0.13 -0.43 117.38 122.58 3i1s n GLN 12 Ca -0.17 0.54 -0.22 0.00 0.07 0.00 0.00 57.00 57.23 3i1s n GLN 12 Cb 0.82 -1.88 -0.09 0.00 2.41 0.00 0.00 30.24 31.51 3i1s n GLN 12 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 3i1s n SER 13 N -1.91 1.81 -0.27 1.69 3.41 -1.17 -4.26 113.62 112.92 3i1s n SER 13 Ca -0.01 0.17 -0.05 0.00 -0.26 0.00 0.00 58.87 58.72 3i1s n SER 13 Cb 0.14 -0.58 0.06 0.00 -0.26 0.00 0.00 64.21 63.58 3i1s n SER 13 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3i1s h GLU 14 N -0.59 1.00 -0.28 4.33 4.22 -0.30 0.22 114.58 123.18 3i1s h GLU 14 Ca -0.55 -0.07 0.05 0.00 0.08 0.00 0.00 59.36 58.87 3i1s h GLU 14 Cb 1.57 -0.22 -0.08 0.00 0.50 0.00 0.00 28.75 30.52 3i1s h GLU 14 CO -0.27 0.68 -0.47 -0.22 -2.18 0.00 0.00 179.01 176.55 3i1s h LYS 15 N 1.02 -0.42 -0.97 1.92 3.11 -1.00 0.35 116.57 120.57 3i1s h LYS 15 Ca 0.27 0.03 0.19 0.00 -2.81 0.00 0.00 60.65 58.33 3i1s h LYS 15 Cb -0.08 0.10 -0.11 0.00 -1.00 0.00 0.00 32.23 31.13 3i1s h LYS 15 CO -0.06 -0.28 0.56 0.00 -2.81 0.00 0.00 179.45 176.87 3i1s h ALA 16 N 0.12 1.59 -0.27 5.00 0.00 -1.32 -0.83 119.26 123.55 3i1s h ALA 16 Ca 0.09 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.16 3i1s h ALA 16 Cb 0.62 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 3i1s h ALA 16 CO -0.50 -0.09 -0.22 -0.09 0.00 0.00 0.00 179.25 178.35 3i1s h ARG 17 N 0.70 -0.19 -0.59 0.00 1.12 0.15 0.76 114.38 116.32 3i1s h ARG 17 Ca 0.56 0.01 -0.08 0.00 -1.11 0.00 0.00 59.98 59.37 3i1s h ARG 17 Cb 0.89 0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.87 3i1s h ARG 17 CO -0.40 -0.13 0.07 0.87 -3.11 0.00 0.00 179.97 177.27 3i1s h LYS 18 N -0.20 0.98 0.36 0.20 1.57 -0.36 0.71 116.57 119.82 3i1s h LYS 18 Ca 0.15 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3i1s h LYS 18 Cb 0.43 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 3i1s h LYS 18 CO -0.39 0.93 -0.21 1.25 -0.57 0.00 0.00 179.45 180.45 3i1s h HIS 19 N 0.92 -0.55 -0.74 -1.35 2.76 -0.52 -2.17 115.15 113.50 3i1s h HIS 19 Ca 0.18 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.46 3i1s h HIS 19 Cb 0.44 0.20 -0.05 0.00 1.55 0.00 0.00 27.41 29.55 3i1s h HIS 19 CO 0.03 -0.33 0.49 -0.91 -1.30 0.00 0.00 177.93 175.90 3i1s h ASN 20 N -0.54 0.50 0.15 3.26 2.35 0.10 -2.25 115.58 119.14 3i1s h ASN 20 Ca -0.04 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3i1s h ASN 20 Cb 0.44 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 3i1s h ASN 20 CO 0.04 0.28 -0.24 0.00 -1.65 0.00 0.00 177.43 175.87 3i1s h ALA 21 N 1.64 -0.85 0.62 -0.83 0.00 0.11 0.19 119.26 120.14 3i1s h ALA 21 Ca 0.35 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3i1s h ALA 21 Cb 0.61 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3i1s h ALA 21 CO -0.12 -0.89 -0.39 0.66 0.00 0.00 0.00 179.25 178.52 3i1s h SER 22 N -0.41 -0.97 -0.89 0.00 4.64 -1.32 0.10 113.55 114.70 3i1s h SER 22 Ca -0.02 0.06 0.22 0.00 -0.47 0.00 0.00 61.79 61.58 3i1s h SER 22 Cb 0.38 0.29 -0.13 0.00 -0.31 0.00 0.00 62.40 62.62 3i1s h SER 22 CO -0.08 -0.60 0.36 0.03 -0.87 0.00 0.00 176.83 175.67 3i1s h ARG 23 N -0.95 0.34 0.16 4.77 2.47 -1.39 0.28 114.38 120.06 3i1s h ARG 23 Ca -0.08 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.61 3i1s h ARG 23 Cb 0.77 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.02 3i1s h ARG 23 CO 0.08 0.23 -0.08 -0.09 0.56 0.00 0.00 179.97 180.67 3i1s h ARG 24 N 0.35 -0.21 0.04 0.04 2.43 -0.32 -3.02 114.38 113.69 3i1s h ARG 24 Ca 0.56 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.75 3i1s h ARG 24 Cb 1.08 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 3i1s h ARG 24 CO -0.55 0.22 -0.07 0.66 -1.51 0.00 0.00 179.97 178.71 3i1s h SER 25 N -0.77 -0.19 -0.42 -3.80 4.64 0.18 -0.49 113.55 112.70 3i1s h SER 25 Ca -0.02 0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 3i1s h SER 25 Cb 0.52 0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 62.62 3i1s h SER 25 CO 0.04 -0.11 -0.46 -0.03 -0.87 0.00 0.00 176.83 175.40 3i1s h MET 26 N -0.14 -0.25 -0.84 4.77 1.85 -0.62 0.13 114.93 119.83 3i1s h MET 26 Ca 0.02 0.02 0.21 0.00 -0.61 0.00 0.00 59.70 59.33 3i1s h MET 26 Cb 0.15 0.06 -0.14 0.00 0.43 0.00 0.00 31.60 32.11 3i1s h MET 26 CO -0.04 -0.17 0.17 1.98 -0.40 0.00 0.00 176.91 178.44 3i1s h MET 27 N -0.26 0.18 0.00 0.39 -1.53 -1.35 -0.90 114.93 111.46 3i1s h MET 27 Ca 0.07 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.32 3i1s h MET 27 Cb 0.45 -0.04 0.00 0.00 -0.55 0.00 0.00 31.60 31.46 3i1s h MET 27 CO -0.54 0.12 0.00 0.54 0.14 0.00 0.00 176.91 177.17 3i1s n ARG 28 N -5.26 0.00 -0.37 0.39 1.74 -0.05 -2.54 116.66 110.58 3i1s n ARG 28 Ca 0.19 0.49 -0.06 0.00 -0.77 0.00 0.00 57.85 57.70 3i1s n ARG 28 Cb 0.61 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.55 3i1s n ARG 28 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3i1s n THR 29 N -1.95 -0.56 0.11 0.55 -1.04 0.26 0.11 114.28 111.76 3i1s n THR 29 Ca 0.00 2.18 0.01 0.00 -2.04 0.00 0.00 64.05 64.20 3i1s n THR 29 Cb 0.00 -2.78 0.06 0.00 -1.82 0.00 0.00 70.33 65.79 3i1s n THR 29 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 3i1s n PHE 30 N -5.24 0.00 -0.08 -1.42 7.35 -0.36 -1.73 117.46 115.99 3i1s n PHE 30 Ca 0.05 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.63 3i1s n PHE 30 Cb 0.30 -0.33 -0.07 0.00 0.35 0.00 0.00 39.48 39.73 3i1s n PHE 30 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 3i1s h ILE 31 N 0.00 0.62 0.00 -2.13 2.04 0.11 -3.36 117.51 114.79 3i1s h ILE 31 Ca 0.00 -1.63 -0.00 0.00 1.00 0.00 0.00 64.86 64.23 3i1s h ILE 31 Cb 0.03 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3i1s h ILE 31 CO 0.00 0.21 -0.01 0.11 0.00 0.00 0.00 178.15 178.46 3i1s h LYS 32 N -1.00 0.00 -0.77 2.37 1.57 -1.29 0.13 116.57 117.58 3i1s h LYS 32 Ca -0.12 0.00 0.22 0.00 -1.87 0.00 0.00 60.65 58.89 3i1s h LYS 32 Cb 0.77 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.05 3i1s h LYS 32 CO -0.07 0.01 0.62 -0.22 -0.57 0.00 0.00 179.45 179.22 3i1s h LYS 33 N 0.00 0.00 0.00 3.15 3.64 -1.47 0.44 116.57 122.33 3i1s h LYS 33 Ca -0.00 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 3i1s h LYS 33 Cb 0.14 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 3i1s h LYS 33 CO 0.00 0.00 -1.58 0.28 -2.27 0.00 0.00 179.45 175.88 3i1s n VAL 34 N -4.06 1.50 -0.01 2.00 0.31 0.28 -4.16 118.33 114.18 3i1s n VAL 34 Ca 0.16 -0.06 -0.13 0.00 -0.01 0.00 0.00 64.34 64.30 3i1s n VAL 34 Cb 0.90 -2.16 -0.07 0.00 -0.91 0.00 0.00 33.84 31.60 3i1s n VAL 34 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 3i1s h TYR 35 N -0.98 -1.30 0.00 3.52 3.20 -0.70 0.27 116.97 120.98 3i1s h TYR 35 Ca -0.27 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.65 3i1s h TYR 35 Cb 1.23 0.59 0.00 0.00 1.54 0.00 0.00 36.73 40.09 3i1s h TYR 35 CO -0.29 -0.49 0.00 0.00 -1.64 0.00 0.00 178.16 175.74 3i1s n ALA 36 N -2.96 1.96 1.94 1.82 0.00 0.15 -1.53 120.51 121.89 3i1s n ALA 36 Ca -0.04 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.43 3i1s n ALA 36 Cb 0.37 -1.29 0.68 0.00 0.00 0.00 0.00 19.45 19.20 3i1s n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1s n ALA 37 N -1.30 2.63 -0.04 0.00 0.00 0.94 -3.57 120.51 119.17 3i1s n ALA 37 Ca 0.08 -0.18 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 3i1s n ALA 37 Cb 0.15 -1.36 -0.05 0.00 0.00 0.00 0.00 19.45 18.19 3i1s n ALA 37 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i1s n ILE 38 N -0.77 0.46 -0.40 0.00 5.41 -0.58 -3.79 119.36 119.69 3i1s n ILE 38 Ca 0.18 -0.26 0.32 0.00 1.00 0.00 0.00 62.75 63.99 3i1s n ILE 38 Cb 0.10 -0.82 0.60 0.00 -0.71 0.00 0.00 39.64 38.81 3i1s n ILE 38 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3i1s h GLU 39 N 0.00 0.17 0.00 0.38 5.08 -1.61 0.20 114.58 118.80 3i1s h GLU 39 Ca -0.18 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3i1s h GLU 39 Cb 1.38 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.60 3i1s h GLU 39 CO 0.00 0.11 0.00 0.00 -1.00 0.00 0.00 179.01 178.12 3i1s n ALA 40 N -2.48 -0.29 0.00 3.43 0.00 -1.26 -5.03 120.51 114.89 3i1s n ALA 40 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3i1s n ALA 40 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.70 3i1s n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1s n GLY 41 N 0.07 0.77 2.14 0.00 0.00 0.70 -5.00 105.19 103.86 3i1s n GLY 41 Ca 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 3i1s n GLY 41 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i1s n ASP 42 N 0.00 5.16 0.00 1.61 10.43 -1.26 -4.88 116.55 127.61 3i1s n ASP 42 Ca 0.00 -2.38 0.00 0.00 2.57 0.00 0.00 54.79 54.98 3i1s n ASP 42 Cb 0.00 -1.26 0.00 0.00 1.84 0.00 0.00 41.12 41.70 3i1s n ASP 42 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3i1s n LYS 43 N 2.82 0.00 -1.71 -1.24 5.02 -1.26 0.27 118.16 122.07 3i1s n LYS 43 Ca 0.44 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 3i1s n LYS 43 Cb 0.67 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.75 3i1s n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1s n ALA 44 N 4.25 3.01 0.10 7.82 0.00 -1.26 -4.75 120.51 129.69 3i1s n ALA 44 Ca 0.00 -2.82 -0.02 0.00 0.00 0.00 0.00 53.44 50.59 3i1s n ALA 44 Cb 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3i1s n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1s h ALA 45 N 1.54 0.58 0.00 0.00 0.00 -0.56 -3.14 119.26 117.68 3i1s h ALA 45 Ca -0.09 -0.69 -0.08 0.00 0.00 0.00 0.00 54.91 54.06 3i1s h ALA 45 Cb 1.51 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3i1s h ALA 45 CO 0.18 0.94 -0.36 0.00 0.00 0.00 0.00 179.25 180.01 3i1s h ALA 46 N 1.25 0.89 0.00 0.00 0.00 -1.84 -2.75 119.26 116.80 3i1s h ALA 46 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3i1s h ALA 46 Cb 1.49 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3i1s h ALA 46 CO 0.10 0.45 0.00 0.94 0.00 0.00 0.00 179.25 180.74 3i1s n GLN 47 N -3.36 0.35 -0.07 0.00 0.00 -1.18 -1.65 117.38 111.46 3i1s n GLN 47 Ca 0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 57.00 56.86 3i1s n GLN 47 Cb 0.56 -1.25 -0.05 0.00 0.00 0.00 0.00 30.24 29.50 3i1s n GLN 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 3i1s n LYS 48 N -0.75 0.37 0.28 3.69 4.81 -1.04 -4.41 118.16 121.11 3i1s n LYS 48 Ca 0.04 0.16 0.19 0.00 -0.87 0.00 0.00 58.31 57.83 3i1s n LYS 48 Cb 0.02 -1.13 0.92 0.00 0.02 0.00 0.00 35.03 34.86 3i1s n LYS 48 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i1s h ALA 49 N -0.65 1.00 -0.09 3.14 0.00 -1.55 -1.69 119.26 119.42 3i1s h ALA 49 Ca -0.29 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3i1s h ALA 49 Cb 1.13 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3i1s h ALA 49 CO -0.18 0.00 -0.01 0.35 0.00 0.00 0.00 179.25 179.41 3i1s h PHE 50 N 0.00 0.17 -0.23 0.00 3.04 -1.56 -2.57 116.94 115.79 3i1s h PHE 50 Ca 0.00 -0.03 0.01 0.00 3.98 0.00 0.00 57.97 61.93 3i1s h PHE 50 Cb 0.18 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.64 3i1s h PHE 50 CO 0.00 0.44 0.15 -0.91 -2.02 0.00 0.00 178.31 175.98 3i1s h ASN 51 N -0.15 0.23 0.09 0.41 4.21 -1.53 0.30 115.58 119.13 3i1s h ASN 51 Ca 0.02 -0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.51 3i1s h ASN 51 Cb 0.38 -0.06 -0.00 0.00 -1.12 0.00 0.00 38.32 37.52 3i1s h ASN 51 CO 0.01 0.16 -0.08 -0.08 -1.29 0.00 0.00 177.43 176.15 3i1s h GLU 52 N 0.27 0.00 0.00 0.81 4.57 -1.05 -3.19 114.58 115.99 3i1s h GLU 52 Ca 0.09 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.14 3i1s h GLU 52 Cb 0.03 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 3i1s h GLU 52 CO -0.02 0.08 -1.79 0.00 -1.18 0.00 0.00 179.01 176.10 3i1s n MET 53 N -4.41 1.14 -0.32 1.92 0.00 -0.61 -4.60 117.12 110.24 3i1s n MET 53 Ca -0.03 -0.07 0.15 0.00 0.00 0.00 0.00 57.70 57.76 3i1s n MET 53 Cb 0.16 -1.34 0.31 0.00 0.00 0.00 0.00 33.22 32.34 3i1s n MET 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 3i1s h GLN 54 N 0.00 0.06 0.87 3.17 4.15 -0.96 0.13 115.11 122.52 3i1s h GLN 54 Ca -0.19 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.19 3i1s h GLN 54 Cb 1.26 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 28.94 3i1s h GLN 54 CO 0.01 0.04 -0.42 -1.00 -1.93 0.00 0.00 178.83 175.53 3i1s h PRO 55 N 0.06 -1.13 -1.11 -2.39 0.13 -1.81 -2.91 132.00 122.83 3i1s h PRO 55 Ca 0.60 0.08 0.31 0.00 -0.87 0.00 0.00 66.00 66.11 3i1s h PRO 55 Cb 1.26 0.26 -0.09 0.00 0.13 0.00 0.00 31.00 32.56 3i1s h PRO 55 CO -0.83 -0.75 0.73 0.82 -0.23 0.00 0.00 178.00 177.74 3i1s h ILE 56 N -1.20 0.44 0.25 -3.56 2.04 -1.04 0.53 117.51 114.98 3i1s h ILE 56 Ca -0.12 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3i1s h ILE 56 Cb 0.90 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3i1s h ILE 56 CO 0.20 0.05 -0.12 0.58 0.00 0.00 0.00 178.15 178.86 3i1s h VAL 57 N 0.27 0.15 0.00 1.67 2.07 -1.34 0.95 116.25 120.02 3i1s h VAL 57 Ca 0.63 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3i1s h VAL 57 Cb 1.82 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3i1s h VAL 57 CO -0.27 0.04 0.16 0.44 0.02 0.00 0.00 177.57 177.97 3i1s h ASP 58 N -1.07 0.00 0.00 0.57 3.32 -1.18 0.46 116.42 118.53 3i1s h ASP 58 Ca -0.03 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 3i1s h ASP 58 Cb 0.33 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3i1s h ASP 58 CO 0.06 0.00 -0.52 -0.09 -1.72 0.00 0.00 179.24 176.96 3i1s h ARG 59 N 0.00 0.00 0.00 3.56 2.43 -0.92 -3.11 114.38 116.35 3i1s h ARG 59 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i1s h ARG 59 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3i1s h ARG 59 CO 0.00 0.49 0.00 1.04 -1.51 0.00 0.00 179.97 179.99 3i1s n GLN 60 N -4.60 0.53 -0.06 0.20 1.13 0.32 -0.46 117.38 114.45 3i1s n GLN 60 Ca -0.14 0.02 -0.04 0.00 -1.94 0.00 0.00 57.00 54.90 3i1s n GLN 60 Cb 0.37 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.21 3i1s n GLN 60 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i1s n ALA 61 N -1.04 0.40 0.14 -1.58 0.00 0.15 -3.64 120.51 114.95 3i1s n ALA 61 Ca 0.13 -0.40 0.16 0.00 0.00 0.00 0.00 53.44 53.33 3i1s n ALA 61 Cb 0.07 0.01 0.72 0.00 0.00 0.00 0.00 19.45 20.26 3i1s n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1s h ALA 62 N -1.20 2.14 -1.95 0.00 0.00 -1.44 -3.20 119.26 113.61 3i1s h ALA 62 Ca 0.00 -0.01 -0.79 0.00 0.00 0.00 0.00 54.91 54.11 3i1s h ALA 62 Cb 0.45 0.02 -0.29 0.00 0.00 0.00 0.00 17.79 17.97 3i1s h ALA 62 CO 0.00 -0.35 0.64 1.17 0.00 0.00 0.00 179.25 180.71 3i1s n LYS 63 N -4.24 4.29 0.00 0.00 3.00 0.40 -5.02 118.16 116.58 3i1s n LYS 63 Ca 0.03 -4.57 0.00 0.00 -0.00 0.00 0.00 58.31 53.77 3i1s n LYS 63 Cb 0.37 -2.48 0.00 0.00 0.00 0.00 0.00 35.03 32.91 3i1s n LYS 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i1s n GLY 64 N 1.27 1.73 7.00 3.14 0.00 -1.21 -4.77 105.19 112.36 3i1s n GLY 64 Ca 0.26 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3i1s n GLY 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1s n LEU 65 N 0.00 0.00 -0.22 0.99 4.77 -1.26 -2.29 117.00 118.99 3i1s n LEU 65 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 3i1s n LEU 65 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 3i1s n LEU 65 CO 0.00 0.00 0.67 0.16 -1.33 0.00 0.00 177.39 176.89 3i1s h ILE 66 N 0.00 0.23 -0.89 -0.08 3.07 -1.89 -3.46 117.51 114.49 3i1s h ILE 66 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3i1s h ILE 66 Cb 0.00 0.23 0.00 0.00 -0.27 0.00 0.00 36.82 36.78 3i1s h ILE 66 CO 0.00 0.00 0.00 1.57 -1.05 0.00 0.00 178.15 178.67 3i1s n HIS 67 N -5.45 -0.89 0.00 0.16 -0.00 -0.97 -4.79 115.22 103.27 3i1s n HIS 67 Ca 0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.25 3i1s n HIS 67 Cb 0.36 0.18 0.00 0.00 -0.12 0.00 0.00 29.99 30.41 3i1s n HIS 67 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3i1s n LYS 68 N 0.00 0.00 -0.55 1.57 4.01 -1.26 -1.99 118.16 119.94 3i1s n LYS 68 Ca 0.00 0.00 0.06 0.00 -0.51 0.00 0.00 58.31 57.86 3i1s n LYS 68 Cb 0.00 0.00 0.26 0.00 -0.51 0.00 0.00 35.03 34.78 3i1s n LYS 68 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 3i1s n ASN 69 N 4.23 3.76 -0.10 4.39 2.04 -1.26 -4.68 115.26 123.64 3i1s n ASN 69 Ca 0.00 -3.15 -0.06 0.00 -0.44 0.00 0.00 54.58 50.93 3i1s n ASN 69 Cb 0.00 -0.58 0.00 0.00 -2.53 0.00 0.00 39.78 36.68 3i1s n ASN 69 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 3i1s h LYS 70 N 1.76 -0.15 -0.59 -3.83 1.63 -1.71 -1.37 116.57 112.31 3i1s h LYS 70 Ca 0.05 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.92 3i1s h LYS 70 Cb 1.55 0.03 -0.09 0.00 -0.60 0.00 0.00 32.23 33.12 3i1s h LYS 70 CO 0.29 -0.10 -0.56 0.00 -3.45 0.00 0.00 179.45 175.63 3i1s h ALA 71 N 1.06 -0.70 -0.40 5.00 0.00 -1.83 -2.29 119.26 120.09 3i1s h ALA 71 Ca 0.18 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.17 3i1s h ALA 71 Cb 0.43 1.20 -0.08 0.00 0.00 0.00 0.00 17.79 19.34 3i1s h ALA 71 CO -0.44 -1.01 -0.56 0.00 0.00 0.00 0.00 179.25 177.23 3i1s h ALA 72 N 0.11 -0.79 0.00 0.00 0.00 -1.61 0.12 119.26 117.08 3i1s h ALA 72 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3i1s h ALA 72 Cb 0.52 1.13 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3i1s h ALA 72 CO -0.70 -1.06 0.00 2.89 0.00 0.00 0.00 179.25 180.38 3i1s n ARG 73 N -5.38 0.87 -0.04 0.00 -4.01 -0.93 -0.61 116.66 106.56 3i1s n ARG 73 Ca -0.04 0.00 -0.09 0.00 -1.04 0.00 0.00 57.85 56.69 3i1s n ARG 73 Cb 0.34 -1.09 -0.03 0.00 -3.04 0.00 0.00 32.46 28.64 3i1s n ARG 73 CO 0.00 0.00 0.00 0.72 -3.04 0.00 0.00 177.63 175.31 3i1s n HIS 74 N -0.38 0.00 -0.24 2.89 8.25 -0.25 -4.53 115.22 120.95 3i1s n HIS 74 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.51 3i1s n HIS 74 Cb 0.05 -0.36 0.17 0.00 1.12 0.00 0.00 29.99 30.97 3i1s n HIS 74 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3i1s h LYS 75 N -0.54 0.32 0.41 -0.41 1.57 -0.64 -1.95 116.57 115.33 3i1s h LYS 75 Ca -0.13 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 3i1s h LYS 75 Cb 0.80 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.04 3i1s h LYS 75 CO -0.08 0.21 -0.20 0.00 -0.57 0.00 0.00 179.45 178.82 3i1s h ALA 76 N 1.57 -1.14 0.00 3.86 0.00 -1.07 0.55 119.26 123.03 3i1s h ALA 76 Ca 0.40 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3i1s h ALA 76 Cb 0.64 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3i1s h ALA 76 CO -0.46 -1.10 0.00 0.27 0.00 0.00 0.00 179.25 177.97 3i1s n ASN 77 N -3.49 0.00 -0.07 0.00 6.94 -1.20 -0.75 115.26 116.70 3i1s n ASN 77 Ca -0.07 -0.88 -0.06 0.00 -0.02 0.00 0.00 54.58 53.55 3i1s n ASN 77 Cb 0.22 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.62 3i1s n ASN 77 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3i1s n LEU 78 N -0.57 1.57 -0.22 -4.53 4.77 -0.74 -3.76 117.00 113.52 3i1s n LEU 78 Ca 0.02 0.36 -0.01 0.00 -0.03 0.00 0.00 56.01 56.35 3i1s n LEU 78 Cb 0.01 -0.73 0.06 0.00 -2.33 0.00 0.00 43.42 40.43 3i1s n LEU 78 CO 0.01 -0.36 0.72 0.74 -1.33 0.00 0.00 177.39 177.17 3i1s h THR 79 N -0.83 0.33 -0.85 -5.08 2.02 -0.52 0.41 112.91 108.38 3i1s h THR 79 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 3i1s h THR 79 Cb 0.71 0.33 -0.07 0.00 -1.74 0.00 0.00 68.15 67.37 3i1s h THR 79 CO 0.00 0.00 0.50 0.00 0.37 0.00 0.00 175.52 176.39 3i1s h ALA 80 N 1.60 1.20 -0.37 6.16 0.00 -1.17 -1.17 119.26 125.51 3i1s h ALA 80 Ca 0.31 0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.99 3i1s h ALA 80 Cb 0.49 -0.17 -0.11 0.00 0.00 0.00 0.00 17.79 18.00 3i1s h ALA 80 CO -0.68 0.16 0.32 1.04 0.00 0.00 0.00 179.25 180.09 3i1s n GLN 81 N -4.70 1.61 0.00 0.00 6.02 0.14 -2.81 117.38 117.64 3i1s n GLN 81 Ca 0.14 -1.21 0.00 0.00 -0.01 0.00 0.00 57.00 55.91 3i1s n GLN 81 Cb 0.25 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.04 3i1s n GLN 81 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 3i1s n ILE 82 N 0.50 0.00 0.16 5.09 -5.35 -1.00 -4.83 119.36 113.92 3i1s n ILE 82 Ca 0.23 0.00 0.05 0.00 -0.27 0.00 0.00 62.75 62.76 3i1s n ILE 82 Cb 0.61 0.00 0.23 0.00 -1.74 0.00 0.00 39.64 38.74 3i1s n ILE 82 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3i1s n ASN 83 N -0.67 0.18 -0.13 7.28 5.15 -0.48 0.20 115.26 126.80 3i1s n ASN 83 Ca 0.00 0.57 0.14 0.00 -0.60 0.00 0.00 54.58 54.69 3i1s n ASN 83 Cb 0.00 -0.60 0.62 0.00 -0.53 0.00 0.00 39.78 39.27 3i1s n ASN 83 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3i1s n LYS 84 N -1.73 0.75 0.00 1.20 5.02 -1.16 -3.43 118.16 118.82 3i1s n LYS 84 Ca 0.00 -0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.03 3i1s n LYS 84 Cb 0.06 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 3i1s n LYS 84 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3i1s n LEU 85 N -0.90 0.00 0.00 -0.35 4.77 0.13 -5.16 117.00 115.50 3i1s n LEU 85 Ca 0.15 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3i1s n LEU 85 Cb 0.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3i1s n LEU 85 CO 0.23 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.29