#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2p n ILE 3 N 0.00 0.00 -3.62 -1.44 -0.00 -1.26 -4.30 119.36 108.73 2i2p n ILE 3 Ca 0.00 -0.49 -0.03 0.00 -0.00 0.00 0.00 62.75 62.23 2i2p n ILE 3 Cb 0.00 -1.49 -0.02 0.00 -0.00 0.00 0.00 39.64 38.12 2i2p n ILE 3 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 2i2p s LYS 4 N 8.42 0.16 0.39 0.38 2.36 -1.26 -5.00 119.74 125.19 2i2p s LYS 4 Ca 1.01 -0.05 0.32 0.00 -2.55 0.00 0.00 55.97 54.71 2i2p s LYS 4 Cb -0.30 0.07 1.28 0.00 -1.05 0.00 0.00 37.83 37.83 2i2p s LYS 4 CO 0.20 -0.07 1.25 -1.13 1.55 0.00 0.00 175.35 177.15 2i2p n SER 5 N 0.02 0.10 -0.31 1.43 3.41 -1.26 0.99 113.62 117.99 2i2p n SER 5 Ca 0.03 0.97 0.35 0.00 -0.26 0.00 0.00 58.87 59.96 2i2p n SER 5 Cb 0.57 -0.48 0.73 0.00 -0.26 0.00 0.00 64.21 64.77 2i2p n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i2p h ALA 6 N 1.07 3.09 -0.86 7.33 0.00 -1.95 -0.57 119.26 127.37 2i2p h ALA 6 Ca 0.73 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.74 2i2p h ALA 6 Cb 2.60 0.09 -0.15 0.00 0.00 0.00 0.00 17.79 20.33 2i2p h ALA 6 CO -0.21 -1.53 -0.33 1.57 0.00 0.00 0.00 179.25 178.75 2i2p h LYS 7 N 0.00 -0.04 -0.16 0.00 2.10 0.44 0.45 116.57 119.36 2i2p h LYS 7 Ca 0.56 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 59.19 2i2p h LYS 7 Cb 2.40 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 33.74 2i2p h LYS 7 CO -0.01 -0.03 0.01 -0.22 -2.00 0.00 0.00 179.45 177.21 2i2p h LYS 8 N -0.04 0.27 -1.07 0.07 3.64 -1.33 -2.90 116.57 115.20 2i2p h LYS 8 Ca 0.34 -0.08 0.34 0.00 -1.27 0.00 0.00 60.65 59.97 2i2p h LYS 8 Cb 0.60 -0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 32.26 2i2p h LYS 8 CO -0.89 0.48 0.64 -0.09 -2.27 0.00 0.00 179.45 177.32 2i2p h ARG 9 N 0.04 0.28 0.21 1.90 9.65 -0.26 0.19 114.38 126.39 2i2p h ARG 9 Ca 0.05 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 2i2p h ARG 9 Cb 0.35 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 2i2p h ARG 9 CO 0.01 0.18 -0.10 0.00 2.80 0.00 0.00 179.97 182.86 2i2p h ALA 10 N 1.77 -0.72 0.00 2.80 0.00 -0.46 -0.82 119.26 121.83 2i2p h ALA 10 Ca 0.73 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.58 2i2p h ALA 10 Cb 1.83 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2i2p h ALA 10 CO -0.52 -0.70 0.10 -0.84 0.00 0.00 0.00 179.25 177.29 2i2p h ILE 11 N -0.39 0.00 0.00 0.00 3.07 -1.40 0.23 117.51 119.02 2i2p h ILE 11 Ca -0.03 0.00 -0.20 0.00 1.55 0.00 0.00 64.86 66.18 2i2p h ILE 11 Cb 0.21 0.68 -0.03 0.00 -0.27 0.00 0.00 36.82 37.41 2i2p h ILE 11 CO 0.05 0.00 -1.24 -0.61 -1.05 0.00 0.00 178.15 175.30 2i2p h GLN 12 N 0.00 0.00 0.00 0.16 4.15 -0.58 -3.33 115.11 115.50 2i2p h GLN 12 Ca 0.00 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.21 2i2p h GLN 12 Cb 0.21 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.86 2i2p h GLN 12 CO 0.00 0.56 -1.42 1.03 -1.93 0.00 0.00 178.83 177.07 2i2p h SER 13 N 0.00 0.00 -0.81 -0.69 0.87 0.88 -3.33 113.55 110.47 2i2p h SER 13 Ca -0.13 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.39 2i2p h SER 13 Cb 1.72 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.64 2i2p h SER 13 CO 0.08 0.74 0.38 -0.08 -0.53 0.00 0.00 176.83 177.42 2i2p h GLU 14 N 0.00 1.18 -0.33 2.24 4.22 -1.19 -2.39 114.58 118.30 2i2p h GLU 14 Ca -0.18 -0.18 -0.03 0.00 0.08 0.00 0.00 59.36 59.05 2i2p h GLU 14 Cb 1.72 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 2i2p h GLU 14 CO 0.06 0.92 0.10 -0.22 -2.18 0.00 0.00 179.01 177.69 2i2p h LYS 15 N 1.16 0.52 -0.95 1.92 3.11 -1.70 -2.54 116.57 118.08 2i2p h LYS 15 Ca 0.28 -0.11 0.12 0.00 -2.81 0.00 0.00 60.65 58.13 2i2p h LYS 15 Cb 0.14 -0.07 -0.08 0.00 -1.00 0.00 0.00 32.23 31.22 2i2p h LYS 15 CO -0.03 0.55 0.61 0.00 -2.81 0.00 0.00 179.45 177.76 2i2p h ALA 16 N 0.94 1.63 0.07 5.00 0.00 -1.58 -0.88 119.26 124.45 2i2p h ALA 16 Ca 0.11 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2i2p h ALA 16 Cb 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2i2p h ALA 16 CO -0.00 0.14 -0.03 -0.09 0.00 0.00 0.00 179.25 179.26 2i2p h ARG 17 N 0.89 -0.09 -0.18 0.00 1.12 -1.17 1.00 114.38 115.95 2i2p h ARG 17 Ca 0.47 0.01 0.05 0.00 -1.11 0.00 0.00 59.98 59.40 2i2p h ARG 17 Cb 0.54 0.02 -0.06 0.00 -0.01 0.00 0.00 29.97 30.45 2i2p h ARG 17 CO -0.23 0.33 -0.27 0.87 -3.11 0.00 0.00 179.97 177.55 2i2p h LYS 18 N -0.54 -0.31 -0.04 0.20 1.57 -1.05 0.64 116.57 117.03 2i2p h LYS 18 Ca -0.01 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 2i2p h LYS 18 Cb 0.46 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.78 2i2p h LYS 18 CO 0.02 -0.21 -0.39 1.25 -0.57 0.00 0.00 179.45 179.55 2i2p h HIS 19 N -0.32 -1.09 -0.16 -1.35 2.76 -1.17 1.00 115.15 114.82 2i2p h HIS 19 Ca 0.11 0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.37 2i2p h HIS 19 Cb 0.50 0.48 -0.07 0.00 1.55 0.00 0.00 27.41 29.87 2i2p h HIS 19 CO -0.39 -0.46 -0.32 -0.91 -1.30 0.00 0.00 177.93 174.55 2i2p h ASN 20 N -0.52 -0.99 -0.85 3.26 -0.26 0.15 -0.21 115.58 116.16 2i2p h ASN 20 Ca 0.06 0.15 -0.03 0.00 -0.56 0.00 0.00 56.30 55.92 2i2p h ASN 20 Cb 0.62 0.43 -0.04 0.00 -1.06 0.00 0.00 38.32 38.27 2i2p h ASN 20 CO -0.33 -0.35 0.40 0.00 -1.06 0.00 0.00 177.43 176.09 2i2p h ALA 21 N 0.47 1.10 -0.81 -0.83 0.00 0.75 1.17 119.26 121.10 2i2p h ALA 21 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2i2p h ALA 21 Cb 0.54 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2i2p h ALA 21 CO -0.37 0.67 0.52 0.77 0.00 0.00 0.00 179.25 180.84 2i2p h SER 22 N 1.22 0.95 0.67 0.00 0.02 0.17 0.43 113.55 117.01 2i2p h SER 22 Ca 0.29 -0.04 -0.24 0.00 -0.84 0.00 0.00 61.79 60.96 2i2p h SER 22 Cb 0.13 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 2i2p h SER 22 CO -0.04 0.71 -1.47 0.03 -1.14 0.00 0.00 176.83 174.93 2i2p h ARG 23 N 1.11 0.00 0.29 3.45 2.47 -0.65 -3.34 114.38 117.72 2i2p h ARG 23 Ca 0.30 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.00 2i2p h ARG 23 Cb -0.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.23 2i2p h ARG 23 CO -0.06 0.53 -0.14 -0.09 0.56 0.00 0.00 179.97 180.77 2i2p h ARG 24 N 0.00 -0.38 -1.05 0.04 2.43 0.19 -3.03 114.38 112.59 2i2p h ARG 24 Ca -0.20 0.03 0.32 0.00 -0.81 0.00 0.00 59.98 59.32 2i2p h ARG 24 Cb 1.85 0.09 -0.14 0.00 -0.42 0.00 0.00 29.97 31.34 2i2p h ARG 24 CO 0.08 -0.25 0.62 0.66 -1.51 0.00 0.00 179.97 179.57 2i2p h SER 25 N -0.48 0.49 0.00 -3.80 4.64 -1.13 0.71 113.55 113.99 2i2p h SER 25 Ca -0.04 0.16 0.03 0.00 -0.47 0.00 0.00 61.79 61.47 2i2p h SER 25 Cb 0.30 0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.46 2i2p h SER 25 CO 0.07 -0.09 -0.23 -0.03 -0.87 0.00 0.00 176.83 175.67 2i2p h MET 26 N 0.33 -0.35 -0.67 4.77 1.85 -1.67 -2.52 114.93 116.67 2i2p h MET 26 Ca 0.72 0.02 0.14 0.00 -0.61 0.00 0.00 59.70 59.97 2i2p h MET 26 Cb 1.72 0.08 -0.13 0.00 0.43 0.00 0.00 31.60 33.71 2i2p h MET 26 CO -0.53 -0.24 -0.14 1.98 -0.40 0.00 0.00 176.91 177.58 2i2p h MET 27 N -0.37 0.01 -0.43 0.39 -1.53 -0.72 -1.60 114.93 110.68 2i2p h MET 27 Ca 0.06 -0.00 0.09 0.00 -3.44 0.00 0.00 59.70 56.40 2i2p h MET 27 Cb 0.45 -0.00 -0.09 0.00 -0.55 0.00 0.00 31.60 31.40 2i2p h MET 27 CO -0.21 0.01 -0.31 0.00 0.14 0.00 0.00 176.91 176.55 2i2p h ARG 28 N 0.01 -0.21 -0.72 0.39 2.47 -1.36 -0.79 114.38 114.16 2i2p h ARG 28 Ca 0.33 0.01 0.16 0.00 -1.26 0.00 0.00 59.98 59.22 2i2p h ARG 28 Cb 0.51 0.05 -0.11 0.00 -1.65 0.00 0.00 29.97 28.77 2i2p h ARG 28 CO -0.67 -0.14 0.16 1.15 0.56 0.00 0.00 179.97 181.03 2i2p h THR 29 N -0.22 0.52 0.03 2.04 2.02 -1.18 0.14 112.91 116.26 2i2p h THR 29 Ca 0.19 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 2i2p h THR 29 Cb 0.53 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 2i2p h THR 29 CO -0.55 0.05 -0.02 -0.26 0.37 0.00 0.00 175.52 175.11 2i2p h PHE 30 N 0.26 -0.04 -0.84 3.16 -1.00 -1.18 -2.92 116.94 114.39 2i2p h PHE 30 Ca 0.41 -0.00 0.07 0.00 2.81 0.00 0.00 57.97 61.26 2i2p h PHE 30 Cb 0.69 0.01 -0.06 0.00 3.61 0.00 0.00 35.95 40.19 2i2p h PHE 30 CO -0.27 0.31 0.51 0.82 -1.61 0.00 0.00 178.31 178.07 2i2p h ILE 31 N -0.40 1.00 0.00 -0.55 2.04 -0.51 0.23 117.51 119.32 2i2p h ILE 31 Ca -0.00 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2i2p h ILE 31 Cb 0.37 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 2i2p h ILE 31 CO 0.01 0.16 0.00 0.29 0.00 0.00 0.00 178.15 178.61 2i2p n LYS 32 N -4.67 0.17 0.51 2.37 5.02 0.42 -3.11 118.16 118.88 2i2p n LYS 32 Ca 0.12 0.46 -0.20 0.00 -2.02 0.00 0.00 58.31 56.68 2i2p n LYS 32 Cb 0.21 -1.87 -0.10 0.00 -0.02 0.00 0.00 35.03 33.26 2i2p n LYS 32 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2i2p h LYS 33 N 0.00 -1.26 -0.53 1.97 1.57 -0.74 0.44 116.57 118.02 2i2p h LYS 33 Ca 0.00 0.09 0.10 0.00 -1.87 0.00 0.00 60.65 58.97 2i2p h LYS 33 Cb 0.28 0.29 -0.11 0.00 0.08 0.00 0.00 32.23 32.76 2i2p h LYS 33 CO 0.00 -0.84 -0.27 0.28 -0.57 0.00 0.00 179.45 178.05 2i2p h VAL 34 N -1.33 0.26 -0.44 0.50 2.07 -1.64 0.10 116.25 115.78 2i2p h VAL 34 Ca -0.13 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.44 2i2p h VAL 34 Cb 1.00 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 2i2p h VAL 34 CO 0.22 0.00 0.18 0.22 0.02 0.00 0.00 177.57 178.21 2i2p h TYR 35 N -0.14 0.32 -1.11 1.57 3.20 -1.60 -1.58 116.97 117.62 2i2p h TYR 35 Ca 0.23 0.02 0.31 0.00 3.14 0.00 0.00 58.73 62.43 2i2p h TYR 35 Cb 0.52 -0.08 -0.08 0.00 1.54 0.00 0.00 36.73 38.63 2i2p h TYR 35 CO -0.56 0.13 0.75 0.00 -1.64 0.00 0.00 178.16 176.84 2i2p h ALA 36 N 1.27 2.58 -0.10 1.82 0.00 0.25 0.33 119.26 125.40 2i2p h ALA 36 Ca 0.20 0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.91 2i2p h ALA 36 Cb 0.16 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2i2p h ALA 36 CO -0.18 -0.98 -0.85 0.00 0.00 0.00 0.00 179.25 177.24 2i2p h ALA 37 N 1.55 0.30 -0.98 0.00 0.00 -0.67 -3.17 119.26 116.29 2i2p h ALA 37 Ca 0.61 -0.63 0.18 0.00 0.00 0.00 0.00 54.91 55.06 2i2p h ALA 37 Cb 1.86 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.56 2i2p h ALA 37 CO -0.21 0.70 0.61 0.82 0.00 0.00 0.00 179.25 181.17 2i2p h ILE 38 N 0.46 0.74 0.00 0.00 1.08 -0.13 0.92 117.51 120.59 2i2p h ILE 38 Ca -0.07 -0.25 -0.01 0.00 -0.39 0.00 0.00 64.86 64.14 2i2p h ILE 38 Cb 1.48 -0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 35.19 2i2p h ILE 38 CO 0.17 0.13 -0.04 -0.08 -0.69 0.00 0.00 178.15 177.64 2i2p h GLU 39 N 0.72 0.00 -0.01 2.37 4.57 -1.47 -2.10 114.58 118.66 2i2p h GLU 39 Ca 0.53 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.71 2i2p h GLU 39 Cb 0.88 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 2i2p h GLU 39 CO -0.31 0.04 -0.52 0.00 -1.18 0.00 0.00 179.01 177.05 2i2p n ALA 40 N -2.13 3.67 -3.59 2.92 0.00 0.30 -4.98 120.51 116.70 2i2p n ALA 40 Ca -0.00 -0.57 -0.23 0.00 0.00 0.00 0.00 53.44 52.64 2i2p n ALA 40 Cb 0.28 -0.88 0.08 0.00 0.00 0.00 0.00 19.45 18.93 2i2p n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i2p n GLY 41 N 1.42 -0.49 2.66 0.00 0.00 -0.02 -4.97 105.19 103.79 2i2p n GLY 41 Ca 0.09 0.21 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 2i2p n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2i2p s ASP 42 N -3.61 3.40 0.59 1.61 -1.08 -1.19 -4.97 116.67 111.41 2i2p s ASP 42 Ca 0.43 -2.76 0.31 0.00 -0.52 0.00 0.00 52.55 50.02 2i2p s ASP 42 Cb -0.19 -0.95 1.82 0.00 -1.46 0.00 0.00 42.92 42.15 2i2p s ASP 42 CO 0.74 -0.24 2.23 0.07 0.52 0.00 0.00 175.17 178.49 2i2p h LYS 43 N 6.48 0.00 0.50 4.34 -0.00 -1.91 -2.98 116.57 123.00 2i2p h LYS 43 Ca 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.68 2i2p h LYS 43 Cb 0.91 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.13 2i2p h LYS 43 CO 0.47 0.03 -0.39 0.00 -0.00 0.00 0.00 179.45 179.56 2i2p h ALA 44 N 1.97 -1.13 -0.19 0.07 0.00 -1.95 -1.55 119.26 116.49 2i2p h ALA 44 Ca -0.00 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.79 2i2p h ALA 44 Cb 0.08 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2i2p h ALA 44 CO 0.00 -1.12 0.21 0.00 0.00 0.00 0.00 179.25 178.35 2i2p h ALA 45 N -1.22 1.80 0.13 0.00 0.00 -1.96 -2.97 119.26 115.04 2i2p h ALA 45 Ca -0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2i2p h ALA 45 Cb 0.71 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2i2p h ALA 45 CO 0.01 -0.31 -0.08 0.00 0.00 0.00 0.00 179.25 178.87 2i2p h ALA 46 N 1.75 -0.96 -0.77 0.00 0.00 -1.19 -0.94 119.26 117.15 2i2p h ALA 46 Ca 0.09 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.14 2i2p h ALA 46 Cb 0.51 0.19 -0.13 0.00 0.00 0.00 0.00 17.79 18.36 2i2p h ALA 46 CO -0.00 -0.95 0.06 1.96 0.00 0.00 0.00 179.25 180.32 2i2p h GLN 47 N -0.20 0.13 0.38 0.00 1.08 -1.32 0.92 115.11 116.10 2i2p h GLN 47 Ca -0.02 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2i2p h GLN 47 Cb 0.16 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 2i2p h GLN 47 CO 0.02 0.09 -0.50 -0.22 -0.95 0.00 0.00 178.83 177.27 2i2p h LYS 48 N 0.13 -0.87 0.00 1.46 1.63 -1.51 -0.05 116.57 117.35 2i2p h LYS 48 Ca 0.43 0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 60.28 2i2p h LYS 48 Cb 0.78 0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 32.60 2i2p h LYS 48 CO -0.65 -0.58 -0.05 0.00 -3.45 0.00 0.00 179.45 174.72 2i2p h ALA 49 N -0.69 1.27 -0.29 5.00 0.00 0.12 -2.22 119.26 122.45 2i2p h ALA 49 Ca -0.04 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2i2p h ALA 49 Cb 0.82 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2i2p h ALA 49 CO -0.13 0.07 -0.25 0.35 0.00 0.00 0.00 179.25 179.28 2i2p h PHE 50 N 0.00 0.81 0.00 0.00 3.04 0.23 -2.97 116.94 118.05 2i2p h PHE 50 Ca -0.00 -0.24 -0.07 0.00 3.98 0.00 0.00 57.97 61.64 2i2p h PHE 50 Cb 0.19 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.52 2i2p h PHE 50 CO 0.00 0.97 -0.35 -0.91 -2.02 0.00 0.00 178.31 176.00 2i2p h ASN 51 N 0.43 0.00 0.00 0.41 -0.26 -0.62 0.25 115.58 115.78 2i2p h ASN 51 Ca 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 2i2p h ASN 51 Cb 0.81 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.07 2i2p h ASN 51 CO 0.06 0.35 0.00 -0.62 -1.06 0.00 0.00 177.43 176.17 2i2p n GLU 52 N -3.37 0.64 0.00 0.81 1.02 -0.88 -3.05 120.64 115.82 2i2p n GLU 52 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2i2p n GLU 52 Cb 0.55 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 2i2p n GLU 52 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2i2p n MET 53 N -0.04 0.00 -0.24 3.49 0.00 -1.13 -4.98 117.12 114.22 2i2p n MET 53 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.72 2i2p n MET 53 Cb 0.11 0.00 0.10 0.00 0.00 0.00 0.00 33.22 33.42 2i2p n MET 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 2i2p h GLN 54 N 0.00 0.03 0.37 3.17 4.15 -0.42 -2.38 115.11 120.03 2i2p h GLN 54 Ca 0.00 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2i2p h GLN 54 Cb 0.00 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2i2p h GLN 54 CO 0.00 0.02 -0.18 -1.00 -1.93 0.00 0.00 178.83 175.74 2i2p h PRO 55 N 0.03 -0.48 -0.65 -2.39 0.13 -1.86 -3.24 132.00 123.54 2i2p h PRO 55 Ca 0.35 0.03 0.17 0.00 -0.87 0.00 0.00 66.00 65.68 2i2p h PRO 55 Cb 0.56 0.11 -0.12 0.00 0.13 0.00 0.00 31.00 31.68 2i2p h PRO 55 CO -0.68 -0.20 -0.01 -0.89 -0.23 0.00 0.00 178.00 176.00 2i2p n ILE 56 N -5.21 -0.27 0.00 -3.56 5.41 -0.91 0.85 119.36 115.67 2i2p n ILE 56 Ca -0.10 1.44 0.00 0.00 1.00 0.00 0.00 62.75 65.09 2i2p n ILE 56 Cb 0.27 -2.09 0.00 0.00 -0.71 0.00 0.00 39.64 37.10 2i2p n ILE 56 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2i2p n VAL 57 N -4.89 0.00 0.29 1.39 0.31 -1.15 0.22 118.33 114.51 2i2p n VAL 57 Ca 0.15 1.22 0.16 0.00 -0.01 0.00 0.00 64.34 65.86 2i2p n VAL 57 Cb 0.48 -2.13 0.79 0.00 -0.91 0.00 0.00 33.84 32.07 2i2p n VAL 57 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2i2p h ASP 58 N 0.00 0.00 0.07 4.52 3.32 -1.40 -0.92 116.42 122.02 2i2p h ASP 58 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2i2p h ASP 58 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2i2p h ASP 58 CO 0.00 0.00 -0.03 -0.09 -1.72 0.00 0.00 179.24 177.40 2i2p h ARG 59 N 0.00 -0.09 -0.81 3.56 2.43 0.11 -3.14 114.38 116.44 2i2p h ARG 59 Ca 0.04 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.35 2i2p h ARG 59 Cb 0.77 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 30.25 2i2p h ARG 59 CO -0.00 -0.06 0.39 1.96 -1.51 0.00 0.00 179.97 180.75 2i2p h GLN 60 N -0.29 0.56 -0.76 0.20 1.08 0.32 -0.42 115.11 115.80 2i2p h GLN 60 Ca -0.01 -0.03 0.13 0.00 -1.45 0.00 0.00 58.65 57.29 2i2p h GLN 60 Cb 0.07 -0.13 -0.09 0.00 -0.05 0.00 0.00 27.48 27.29 2i2p h GLN 60 CO 0.02 0.37 0.34 0.00 -0.95 0.00 0.00 178.83 178.61 2i2p h ALA 61 N 1.54 1.09 -0.54 3.87 0.00 -1.22 0.12 119.26 124.12 2i2p h ALA 61 Ca 0.44 0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.59 2i2p h ALA 61 Cb 0.60 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2i2p h ALA 61 CO -0.36 -0.14 0.46 0.00 0.00 0.00 0.00 179.25 179.21 2i2p h ALA 62 N 1.52 2.37 -3.12 0.00 0.00 -1.01 -3.39 119.26 115.63 2i2p h ALA 62 Ca 0.41 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 55.02 2i2p h ALA 62 Cb 0.57 0.04 -0.35 0.00 0.00 0.00 0.00 17.79 18.05 2i2p h ALA 62 CO -0.36 -0.74 -0.62 0.15 0.00 0.00 0.00 179.25 177.68 2i2p s LYS 63 N -4.80 0.05 0.61 0.00 1.02 0.42 -5.11 119.74 111.92 2i2p s LYS 63 Ca -0.05 0.53 0.00 0.00 0.02 0.00 0.00 55.97 56.47 2i2p s LYS 63 Cb 0.18 -0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.24 2i2p s LYS 63 CO 0.64 -0.27 0.00 0.41 -0.92 0.00 0.00 175.35 175.21 2i2p n GLY 64 N 5.07 -0.70 7.00 -3.33 0.00 -1.25 -4.72 105.19 107.25 2i2p n GLY 64 Ca -0.10 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2i2p n GLY 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2i2p n LEU 65 N 0.00 0.00 -4.69 0.99 4.77 -1.26 -4.36 117.00 112.45 2i2p n LEU 65 Ca 0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.59 2i2p n LEU 65 Cb 0.16 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.29 2i2p n LEU 65 CO 0.00 0.00 0.81 -0.38 -1.33 0.00 0.00 177.39 176.49 2i2p n ILE 66 N 0.00 3.57 -3.81 -0.08 -0.00 -1.26 -4.95 119.36 112.82 2i2p n ILE 66 Ca 0.00 -0.50 -0.11 0.00 -0.00 0.00 0.00 62.75 62.14 2i2p n ILE 66 Cb 0.00 -1.46 -0.08 0.00 -0.00 0.00 0.00 39.64 38.11 2i2p n ILE 66 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 2i2p s HIS 67 N -1.34 -0.00 0.00 1.39 3.76 -1.26 -3.46 115.29 114.38 2i2p s HIS 67 Ca 0.71 -0.20 0.00 0.00 -0.15 0.00 0.00 55.06 55.42 2i2p s HIS 67 Cb -0.44 0.02 0.00 0.00 1.11 0.00 0.00 32.58 33.27 2i2p s HIS 67 CO 0.50 -0.47 0.00 1.63 -0.85 0.00 0.00 174.74 175.55 2i2p n LYS 68 N 0.59 0.00 0.24 1.40 4.01 -1.26 -3.28 118.16 119.85 2i2p n LYS 68 Ca -0.18 0.00 0.03 0.00 -0.51 0.00 0.00 58.31 57.65 2i2p n LYS 68 Cb 0.59 0.00 0.05 0.00 -0.51 0.00 0.00 35.03 35.17 2i2p n LYS 68 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2i2p n ASN 69 N -3.58 0.00 -0.16 4.39 3.02 -1.26 -2.19 115.26 115.48 2i2p n ASN 69 Ca 0.00 0.49 -0.03 0.00 -0.03 0.00 0.00 54.58 55.01 2i2p n ASN 69 Cb 0.00 -0.03 0.07 0.00 -0.61 0.00 0.00 39.78 39.20 2i2p n ASN 69 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2i2p h LYS 70 N 0.00 0.29 0.11 3.52 2.10 -1.97 0.20 116.57 120.82 2i2p h LYS 70 Ca 0.06 -0.02 0.01 0.00 -2.00 0.00 0.00 60.65 58.70 2i2p h LYS 70 Cb 1.94 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 33.19 2i2p h LYS 70 CO -0.00 0.19 -0.16 0.00 -2.00 0.00 0.00 179.45 177.48 2i2p h ALA 71 N 1.36 -0.28 0.58 0.07 0.00 -1.63 0.65 119.26 120.01 2i2p h ALA 71 Ca 0.24 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2i2p h ALA 71 Cb 0.29 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2i2p h ALA 71 CO -0.28 -0.69 -0.46 0.00 0.00 0.00 0.00 179.25 177.82 2i2p h ALA 72 N 0.52 -1.10 0.00 0.00 0.00 -1.61 -1.88 119.26 115.19 2i2p h ALA 72 Ca 0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2i2p h ALA 72 Cb 0.34 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2i2p h ALA 72 CO -0.08 -1.15 -0.02 0.07 0.00 0.00 0.00 179.25 178.07 2i2p h ARG 73 N -1.02 0.00 -0.40 0.00 -0.00 -0.53 0.53 114.38 112.95 2i2p h ARG 73 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.90 2i2p h ARG 73 Cb 0.86 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.81 2i2p h ARG 73 CO 0.00 0.02 0.21 1.25 -0.00 0.00 0.00 179.97 181.45 2i2p h HIS 74 N 0.00 0.53 0.00 4.08 2.76 0.12 -2.89 115.15 119.75 2i2p h HIS 74 Ca -0.00 -0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 57.96 2i2p h HIS 74 Cb 0.04 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 28.79 2i2p h HIS 74 CO 0.00 0.39 -2.14 0.36 -1.30 0.00 0.00 177.93 175.24 2i2p n LYS 75 N -4.42 0.81 -0.34 5.26 2.85 -0.32 -4.20 118.16 117.80 2i2p n LYS 75 Ca 0.03 -0.08 0.18 0.00 -1.05 0.00 0.00 58.31 57.39 2i2p n LYS 75 Cb 0.11 -1.48 0.36 0.00 -0.65 0.00 0.00 35.03 33.36 2i2p n LYS 75 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2i2p n ALA 76 N -2.49 0.62 -0.05 0.58 0.00 0.17 -1.17 120.51 118.17 2i2p n ALA 76 Ca -0.20 1.06 -0.17 0.00 0.00 0.00 0.00 53.44 54.13 2i2p n ALA 76 Cb 0.87 -0.83 -0.14 0.00 0.00 0.00 0.00 19.45 19.36 2i2p n ALA 76 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2i2p n ASN 77 N -5.45 1.67 -0.02 0.00 0.23 -1.25 -3.82 115.26 106.63 2i2p n ASN 77 Ca 0.27 0.12 -0.09 0.00 -0.53 0.00 0.00 54.58 54.34 2i2p n ASN 77 Cb 0.88 -0.41 -0.03 0.00 -2.08 0.00 0.00 39.78 38.14 2i2p n ASN 77 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 2i2p h LEU 78 N 0.03 -0.86 -0.16 -4.53 6.46 -1.47 0.91 115.31 115.69 2i2p h LEU 78 Ca -0.46 0.14 0.01 0.00 -0.12 0.00 0.00 57.88 57.45 2i2p h LEU 78 Cb 2.02 0.38 -0.02 0.00 -0.73 0.00 0.00 40.66 42.31 2i2p h LEU 78 CO 0.03 -0.31 0.06 0.74 -0.62 0.00 0.00 178.44 178.33 2i2p h THR 79 N -0.32 0.97 -0.87 1.05 2.02 -1.35 -2.17 112.91 112.24 2i2p h THR 79 Ca 0.11 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 2i2p h THR 79 Cb 0.49 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 2i2p h THR 79 CO -0.36 0.03 0.52 0.00 0.37 0.00 0.00 175.52 176.08 2i2p h ALA 80 N 1.09 1.12 0.44 6.16 0.00 -1.49 -2.04 119.26 124.54 2i2p h ALA 80 Ca 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2i2p h ALA 80 Cb 0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2i2p h ALA 80 CO -0.06 0.58 -0.29 0.37 0.00 0.00 0.00 179.25 179.84 2i2p h GLN 81 N 1.21 -0.68 0.00 0.00 4.15 0.12 -1.23 115.11 118.68 2i2p h GLN 81 Ca 0.31 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.78 2i2p h GLN 81 Cb -0.04 0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.81 2i2p h GLN 81 CO -0.06 -0.46 0.00 -0.84 -1.93 0.00 0.00 178.83 175.55 2i2p h ILE 82 N -0.71 0.00 -0.43 2.39 3.07 -1.32 0.26 117.51 120.76 2i2p h ILE 82 Ca -0.05 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 66.22 2i2p h ILE 82 Cb 0.59 0.97 0.00 0.00 -0.27 0.00 0.00 36.82 38.12 2i2p h ILE 82 CO 0.03 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 177.72 2i2p n ASN 83 N -2.76 2.89 -0.95 2.16 5.03 -0.52 -3.63 115.26 117.48 2i2p n ASN 83 Ca -0.01 -2.16 0.03 0.00 0.87 0.00 0.00 54.58 53.31 2i2p n ASN 83 Cb 0.13 -0.40 0.23 0.00 -1.02 0.00 0.00 39.78 38.72 2i2p n ASN 83 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2i2p n LYS 84 N 0.72 2.37 0.00 3.52 5.02 0.90 -4.50 118.16 126.20 2i2p n LYS 84 Ca 0.16 -2.96 0.00 0.00 -2.02 0.00 0.00 58.31 53.49 2i2p n LYS 84 Cb 0.52 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 2i2p n LYS 84 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2i2p n LEU 85 N -0.83 0.00 0.00 -0.35 -0.00 -1.25 -5.08 117.00 109.49 2i2p n LEU 85 Ca 0.26 -0.03 0.14 0.00 -0.00 0.00 0.00 56.01 56.38 2i2p n LEU 85 Cb 0.94 0.00 0.84 0.00 -0.00 0.00 0.00 43.42 45.20 2i2p n LEU 85 CO 0.16 0.23 1.01 0.00 -0.00 0.00 0.00 177.39 178.79