#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs7 n LYS 2 N 0.00 -2.16 0.00 0.00 0.00 -1.26 -3.77 118.16 110.97 1vs7 n LYS 2 Ca 0.00 1.92 0.00 0.00 0.00 0.00 0.00 58.31 60.23 1vs7 n LYS 2 Cb 0.00 -3.95 0.00 0.00 0.00 0.00 0.00 35.03 31.08 1vs7 n LYS 2 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1vs7 n GLN 3 N 0.30 0.00 -0.31 1.64 3.00 -1.26 0.72 117.38 121.47 1vs7 n GLN 3 Ca 0.02 0.46 -0.12 0.00 -0.01 0.00 0.00 57.00 57.35 1vs7 n GLN 3 Cb 0.06 -0.70 -0.10 0.00 0.00 0.00 0.00 30.24 29.50 1vs7 n GLN 3 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1vs7 h SER 4 N 0.00 -2.01 -0.36 1.08 0.87 -1.98 0.38 113.55 111.52 1vs7 h SER 4 Ca 0.00 0.29 0.01 0.00 -1.23 0.00 0.00 61.79 60.86 1vs7 h SER 4 Cb 0.00 0.87 -0.02 0.00 -0.44 0.00 0.00 62.40 62.81 1vs7 h SER 4 CO 0.00 -0.29 0.24 -0.03 -0.53 0.00 0.00 176.83 176.23 1vs7 h MET 5 N -0.14 0.44 -0.49 2.24 -1.53 -1.29 -1.44 114.93 112.71 1vs7 h MET 5 Ca 0.12 -0.03 -0.10 0.00 -3.44 0.00 0.00 59.70 56.26 1vs7 h MET 5 Cb 0.47 -0.10 -0.02 0.00 -0.55 0.00 0.00 31.60 31.40 1vs7 h MET 5 CO -0.79 0.29 -0.08 -0.22 0.14 0.00 0.00 176.91 176.24 1vs7 h LYS 6 N 0.45 0.89 0.00 0.39 3.64 0.41 -2.42 116.57 119.93 1vs7 h LYS 6 Ca 0.14 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1vs7 h LYS 6 Cb 0.01 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1vs7 h LYS 6 CO -0.03 0.94 0.00 0.00 -2.27 0.00 0.00 179.45 178.09 1vs7 n ALA 7 N -2.49 2.19 0.18 5.00 0.00 0.75 -3.79 120.51 122.34 1vs7 n ALA 7 Ca 0.02 -0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.22 1vs7 n ALA 7 Cb 0.37 -1.40 -0.07 0.00 0.00 0.00 0.00 19.45 18.34 1vs7 n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs7 h ARG 8 N 0.00 -0.40 0.04 0.00 3.08 -0.95 -3.11 114.38 113.04 1vs7 h ARG 8 Ca 0.00 0.03 -0.25 0.00 0.07 0.00 0.00 59.98 59.83 1vs7 h ARG 8 Cb 0.35 0.09 0.02 0.00 0.08 0.00 0.00 29.97 30.51 1vs7 h ARG 8 CO 0.00 -0.27 -1.00 0.93 -1.07 0.00 0.00 179.97 178.57 1vs7 h GLU 9 N -0.41 0.61 -1.00 0.04 5.08 -1.73 -1.72 114.58 115.45 1vs7 h GLU 9 Ca -0.03 -0.71 0.25 0.00 -1.00 0.00 0.00 59.36 57.88 1vs7 h GLU 9 Cb 0.34 0.21 -0.19 0.00 0.50 0.00 0.00 28.75 29.61 1vs7 h GLU 9 CO 0.03 1.29 -0.05 0.28 -1.00 0.00 0.00 179.01 179.56 1vs7 h VAL 10 N 0.23 0.00 0.09 3.13 2.07 -1.65 1.30 116.25 121.42 1vs7 h VAL 10 Ca -0.14 -0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.18 1vs7 h VAL 10 Cb 1.67 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1vs7 h VAL 10 CO 0.19 0.00 -1.03 0.11 0.02 0.00 0.00 177.57 176.87 1vs7 h LYS 11 N 0.00 0.18 -0.99 1.57 1.79 -1.63 -3.21 116.57 114.28 1vs7 h LYS 11 Ca 0.57 -0.31 0.24 0.00 -2.18 0.00 0.00 60.65 58.97 1vs7 h LYS 11 Cb 1.10 0.12 -0.13 0.00 -1.58 0.00 0.00 32.23 31.74 1vs7 h LYS 11 CO -0.96 1.15 0.58 -0.09 -1.08 0.00 0.00 179.45 179.04 1vs7 h ARG 12 N -0.53 0.54 0.32 3.15 2.43 0.11 -0.76 114.38 119.64 1vs7 h ARG 12 Ca -0.22 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.90 1vs7 h ARG 12 Cb 1.55 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.98 1vs7 h ARG 12 CO 0.03 0.36 -0.15 0.28 -1.51 0.00 0.00 179.97 178.98 1vs7 h VAL 13 N 0.56 0.48 -0.96 0.20 2.07 0.14 -3.15 116.25 115.60 1vs7 h VAL 13 Ca 0.64 -0.77 0.28 0.00 0.82 0.00 0.00 66.70 67.67 1vs7 h VAL 13 Cb 1.22 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 1vs7 h VAL 13 CO -0.48 0.11 0.75 0.00 0.02 0.00 0.00 177.57 177.97 1vs7 h ALA 14 N -0.62 2.86 0.69 1.67 0.00 -1.37 -1.62 119.26 120.87 1vs7 h ALA 14 Ca -0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1vs7 h ALA 14 Cb 0.51 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1vs7 h ALA 14 CO 0.07 -1.24 -0.40 -0.07 0.00 0.00 0.00 179.25 177.61 1vs7 h LEU 15 N 0.00 -1.01 -1.72 0.00 3.38 -1.12 -2.57 115.31 112.27 1vs7 h LEU 15 Ca 0.46 0.05 0.31 0.00 0.09 0.00 0.00 57.88 58.79 1vs7 h LEU 15 Cb 1.95 0.29 -0.07 0.00 0.09 0.00 0.00 40.66 42.92 1vs7 h LEU 15 CO -0.00 -0.63 0.76 0.00 0.09 0.00 0.00 178.44 178.66 1vs7 h ALA 16 N -1.35 2.73 -0.84 1.53 0.00 -1.36 -2.36 119.26 117.61 1vs7 h ALA 16 Ca -0.09 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1vs7 h ALA 16 Cb 0.81 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1vs7 h ALA 16 CO 0.11 -1.10 0.00 -0.25 0.00 0.00 0.00 179.25 178.01 1vs7 n ASP 17 N -4.39 0.00 -1.13 0.00 8.00 -0.99 0.93 116.55 118.97 1vs7 n ASP 17 Ca 0.25 0.79 0.00 0.00 0.71 0.00 0.00 54.79 56.54 1vs7 n ASP 17 Cb 1.08 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.82 1vs7 n ASP 17 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1vs7 n LYS 18 N -1.58 0.64 0.00 -1.24 5.02 -1.05 -4.05 118.16 115.90 1vs7 n LYS 18 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1vs7 n LYS 18 Cb 0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1vs7 n LYS 18 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1vs7 n TYR 19 N 0.87 0.00 -1.53 2.13 9.36 -0.91 -5.03 117.16 122.04 1vs7 n TYR 19 Ca 0.00 0.00 -0.45 0.00 3.32 0.00 0.00 57.90 60.77 1vs7 n TYR 19 Cb 0.32 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 38.98 1vs7 n TYR 19 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 1vs7 n PHE 20 N -0.73 1.71 0.00 2.98 3.01 0.26 -4.51 117.46 120.18 1vs7 n PHE 20 Ca 0.00 0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.52 1vs7 n PHE 20 Cb 0.00 -2.64 0.00 0.00 -0.01 0.00 0.00 39.48 36.83 1vs7 n PHE 20 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1vs7 n ALA 21 N 11.70 0.00 -0.29 4.37 0.00 -1.26 -4.57 120.51 130.46 1vs7 n ALA 21 Ca 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.79 1vs7 n ALA 21 Cb 0.37 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.00 1vs7 n ALA 21 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1vs7 h LYS 22 N 0.00 1.14 0.00 0.00 1.57 -1.98 0.06 116.57 117.36 1vs7 h LYS 22 Ca 0.00 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.59 1vs7 h LYS 22 Cb 0.00 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 1vs7 h LYS 22 CO 0.00 0.76 -0.55 0.00 -0.57 0.00 0.00 179.45 179.10 1vs7 h ARG 23 N 1.17 0.00 -0.50 3.15 3.08 -1.93 -3.19 114.38 116.15 1vs7 h ARG 23 Ca 0.31 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 1vs7 h ARG 23 Cb -0.11 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1vs7 h ARG 23 CO -0.07 0.55 0.26 0.00 -1.07 0.00 0.00 179.97 179.65 1vs7 h ALA 24 N 1.45 1.52 0.00 0.04 0.00 -1.25 -1.72 119.26 119.29 1vs7 h ALA 24 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1vs7 h ALA 24 Cb 1.20 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1vs7 h ALA 24 CO 0.07 0.40 0.00 0.39 0.00 0.00 0.00 179.25 180.11 1vs7 n GLU 25 N -4.40 0.26 -0.39 0.00 -0.58 -0.96 -3.46 120.64 111.12 1vs7 n GLU 25 Ca 0.04 0.00 0.39 0.00 -0.42 0.00 0.00 57.16 57.17 1vs7 n GLU 25 Cb 0.11 -1.32 0.75 0.00 -0.57 0.00 0.00 31.44 30.40 1vs7 n GLU 25 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1vs7 h LEU 26 N 0.00 0.00 0.00 -4.62 5.85 -1.52 -2.05 115.31 112.97 1vs7 h LEU 26 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1vs7 h LEU 26 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1vs7 h LEU 26 CO 0.00 0.00 0.00 0.29 -0.34 0.00 0.00 178.44 178.39 1vs7 n LYS 27 N -3.99 0.00 0.08 1.25 5.02 -1.22 -2.29 118.16 117.00 1vs7 n LYS 27 Ca 0.29 0.63 0.08 0.00 -2.02 0.00 0.00 58.31 57.29 1vs7 n LYS 27 Cb 1.44 -1.43 0.37 0.00 -0.02 0.00 0.00 35.03 35.39 1vs7 n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vs7 n ALA 28 N -2.16 1.40 -1.00 7.82 0.00 -0.80 -3.96 120.51 121.81 1vs7 n ALA 28 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1vs7 n ALA 28 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1vs7 n ALA 28 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1vs7 n ILE 29 N -1.89 0.00 -1.59 0.00 5.41 -0.97 -3.95 119.36 116.37 1vs7 n ILE 29 Ca 0.01 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.35 1vs7 n ILE 29 Cb 0.13 -0.27 -0.01 0.00 -0.71 0.00 0.00 39.64 38.77 1vs7 n ILE 29 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1vs7 n ILE 30 N 0.00 3.25 0.19 1.39 5.41 -1.24 -3.60 119.36 124.76 1vs7 n ILE 30 Ca 0.00 -2.73 0.00 0.00 1.00 0.00 0.00 62.75 61.02 1vs7 n ILE 30 Cb 0.00 -2.56 0.00 0.00 -0.71 0.00 0.00 39.64 36.37 1vs7 n ILE 30 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1vs7 n SER 31 N 6.07 -3.38 -4.88 4.38 2.88 -1.26 -3.69 113.62 113.74 1vs7 n SER 31 Ca 0.54 0.78 -0.36 0.00 -1.33 0.00 0.00 58.87 58.50 1vs7 n SER 31 Cb 0.37 3.23 -0.06 0.00 -0.75 0.00 0.00 64.21 67.01 1vs7 n SER 31 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1vs7 s ASP 32 N -1.87 6.34 -1.03 -3.46 1.01 -1.24 -2.43 116.67 114.00 1vs7 s ASP 32 Ca 0.00 0.42 -0.26 0.00 0.71 0.00 0.00 52.55 53.42 1vs7 s ASP 32 Cb 0.00 -2.03 -0.19 0.00 1.01 0.00 0.00 42.92 41.71 1vs7 s ASP 32 CO 0.00 0.37 2.15 0.68 0.21 0.00 0.00 175.17 178.58 1vs7 s VAL 33 N -1.11 3.10 0.05 -1.27 -7.23 -1.26 -4.27 120.40 108.40 1vs7 s VAL 33 Ca 0.19 -0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.21 1vs7 s VAL 33 Cb -0.12 -3.86 0.00 0.00 0.56 0.00 0.00 36.38 32.95 1vs7 s VAL 33 CO 0.08 -0.18 0.00 0.59 -0.31 0.00 0.00 175.10 175.28 1vs7 n ASN 34 N 18.78 0.31 -0.03 4.85 3.02 -1.26 -5.16 115.26 135.78 1vs7 n ASN 34 Ca 0.43 0.08 -0.13 0.00 -0.03 0.00 0.00 54.58 54.93 1vs7 n ASN 34 Cb 0.46 -0.06 -0.10 0.00 -0.61 0.00 0.00 39.78 39.47 1vs7 n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vs7 h ALA 35 N 0.00 0.03 -2.50 5.41 0.00 -1.76 -3.52 119.26 116.92 1vs7 h ALA 35 Ca 0.00 -0.30 -0.77 0.00 0.00 0.00 0.00 54.91 53.84 1vs7 h ALA 35 Cb 0.49 -0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.04 1vs7 h ALA 35 CO 0.00 -0.16 0.43 1.03 0.00 0.00 0.00 179.25 180.55 1vs7 s ARG 40 N -3.93 3.76 0.14 0.00 1.81 -1.02 -5.15 118.95 114.56 1vs7 s ARG 40 Ca -0.16 -2.48 -0.31 0.00 -1.72 0.00 0.00 55.73 51.06 1vs7 s ARG 40 Cb 0.01 -4.61 -0.09 0.00 -0.45 0.00 0.00 34.95 29.82 1vs7 s ARG 40 CO 0.69 -1.42 1.46 -0.46 -0.68 0.00 0.00 175.30 174.89 1vs7 s TRP 41 N 0.52 3.16 -0.30 -0.53 -0.11 -1.24 -4.84 118.94 115.60 1vs7 s TRP 41 Ca 0.26 0.83 0.01 0.00 1.22 0.00 0.00 56.10 58.42 1vs7 s TRP 41 Cb -0.08 -3.79 0.07 0.00 -1.50 0.00 0.00 33.47 28.17 1vs7 s TRP 41 CO -0.08 -2.80 0.75 0.09 -4.62 0.00 0.00 176.95 170.29 1vs7 n ASN 42 N 3.87 0.03 0.00 5.86 3.02 -1.26 -3.06 115.26 123.72 1vs7 n ASN 42 Ca 0.12 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 1vs7 n ASN 42 Cb 0.41 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 1vs7 n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vs7 n ALA 43 N -1.23 -0.04 -0.21 5.41 0.00 -1.26 -1.05 120.51 122.13 1vs7 n ALA 43 Ca -0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1vs7 n ALA 43 Cb 0.34 0.04 0.42 0.00 0.00 0.00 0.00 19.45 20.24 1vs7 n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vs7 h VAL 44 N 0.00 0.86 0.00 0.00 2.07 -1.62 -2.23 116.25 115.32 1vs7 h VAL 44 Ca 0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1vs7 h VAL 44 Cb 0.00 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1vs7 h VAL 44 CO 0.00 0.11 0.00 0.18 0.02 0.00 0.00 177.57 177.88 1vs7 n LEU 45 N -4.52 0.00 -0.94 2.57 4.77 -1.20 -1.70 117.00 115.97 1vs7 n LEU 45 Ca 0.15 0.87 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 1vs7 n LEU 45 Cb 0.44 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1vs7 n LEU 45 CO 0.31 -0.37 0.35 0.29 -1.33 0.00 0.00 177.39 176.64 1vs7 n LYS 46 N -1.83 0.74 -0.03 3.23 5.02 -0.22 -2.58 118.16 122.49 1vs7 n LYS 46 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1vs7 n LYS 46 Cb 0.00 -1.16 -0.04 0.00 -0.02 0.00 0.00 35.03 33.82 1vs7 n LYS 46 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1vs7 n LEU 47 N 0.57 1.92 -2.43 -0.35 7.94 -0.69 -4.72 117.00 119.24 1vs7 n LEU 47 Ca 0.00 -0.02 -0.14 0.00 -1.11 0.00 0.00 56.01 54.74 1vs7 n LEU 47 Cb 0.35 -0.11 -0.10 0.00 0.53 0.00 0.00 43.42 44.10 1vs7 n LEU 47 CO 0.00 0.44 1.69 0.00 -1.11 0.00 0.00 177.39 178.41 1vs7 n GLN 48 N -2.52 1.77 -3.39 1.96 -0.00 -0.73 -4.45 117.38 110.00 1vs7 n GLN 48 Ca -0.11 -0.99 -0.26 0.00 -0.00 0.00 0.00 57.00 55.64 1vs7 n GLN 48 Cb 0.65 -2.05 -0.08 0.00 -0.00 0.00 0.00 30.24 28.75 1vs7 n GLN 48 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1vs7 n THR 49 N 2.99 0.70 0.00 -0.39 -2.24 -1.26 -4.77 114.28 109.31 1vs7 n THR 49 Ca 0.38 -4.51 0.00 0.00 -2.27 0.00 0.00 64.05 57.65 1vs7 n THR 49 Cb 0.53 -2.00 0.00 0.00 -2.10 0.00 0.00 70.33 66.76 1vs7 n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vs7 n LEU 50 N 1.44 0.00 -0.05 3.22 -0.00 -1.26 -5.01 117.00 115.34 1vs7 n LEU 50 Ca 0.25 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 56.24 1vs7 n LEU 50 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.87 1vs7 n LEU 50 CO 0.27 0.00 -0.20 1.55 -0.00 0.00 0.00 177.39 179.00 1vs7 h PRO 51 N 0.00 0.00 0.00 1.47 0.13 -1.95 -3.47 132.00 128.18 1vs7 h PRO 51 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1vs7 h PRO 51 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1vs7 h PRO 51 CO 0.00 0.00 0.00 -2.13 -0.23 0.00 0.00 178.00 175.64 1vs7 n ARG 52 N -3.96 0.00 0.00 0.86 3.00 -1.26 -1.86 116.66 113.44 1vs7 n ARG 52 Ca -0.04 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.85 1vs7 n ARG 52 Cb 0.16 0.00 0.26 0.00 0.00 0.00 0.00 32.46 32.87 1vs7 n ARG 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1vs7 n ASP 53 N 2.30 0.00 -0.00 6.15 2.03 -1.26 -2.10 116.55 123.66 1vs7 n ASP 53 Ca 0.00 -1.08 0.08 0.00 0.52 0.00 0.00 54.79 54.31 1vs7 n ASP 53 Cb 0.00 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.29 1vs7 n ASP 53 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1vs7 n SER 54 N -0.70 0.95 -4.57 1.67 2.88 -0.78 -4.75 113.62 108.32 1vs7 n SER 54 Ca 0.07 -0.46 -0.38 0.00 -1.33 0.00 0.00 58.87 56.77 1vs7 n SER 54 Cb 0.03 1.37 0.05 0.00 -0.75 0.00 0.00 64.21 64.92 1vs7 n SER 54 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1vs7 n SER 55 N -1.73 0.15 0.18 -3.46 2.88 -0.89 -3.88 113.62 106.87 1vs7 n SER 55 Ca 0.00 0.77 -0.13 0.00 -1.33 0.00 0.00 58.87 58.18 1vs7 n SER 55 Cb 0.34 -1.32 -0.08 0.00 -0.75 0.00 0.00 64.21 62.41 1vs7 n SER 55 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1vs7 h PRO 56 N 0.33 -0.45 0.00 -1.46 0.13 -1.95 -3.12 132.00 125.48 1vs7 h PRO 56 Ca -0.48 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1vs7 h PRO 56 Cb 1.38 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.61 1vs7 h PRO 56 CO 0.49 -0.13 0.01 0.43 -0.23 0.00 0.00 178.00 178.57 1vs7 n SER 57 N -5.15 0.00 -1.38 1.44 7.64 -1.26 -2.01 113.62 112.90 1vs7 n SER 57 Ca -0.10 0.10 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1vs7 n SER 57 Cb 0.27 -0.10 0.18 0.00 -1.01 0.00 0.00 64.21 63.56 1vs7 n SER 57 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1vs7 n ARG 58 N -1.05 2.69 -4.17 1.43 1.74 -1.18 -4.90 116.66 111.23 1vs7 n ARG 58 Ca 0.00 -1.69 -0.24 0.00 -0.77 0.00 0.00 57.85 55.15 1vs7 n ARG 58 Cb 0.01 -1.84 -0.07 0.00 -1.02 0.00 0.00 32.46 29.55 1vs7 n ARG 58 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1vs7 s GLN 59 N -1.91 2.26 0.00 5.56 -0.21 -0.85 -5.01 119.66 119.50 1vs7 s GLN 59 Ca 0.30 -1.67 0.00 0.00 0.02 0.00 0.00 55.36 54.01 1vs7 s GLN 59 Cb 0.24 -2.07 0.00 0.00 1.00 0.00 0.00 33.01 32.18 1vs7 s GLN 59 CO 0.08 0.07 0.03 -2.13 -2.12 0.00 0.00 175.29 171.21 1vs7 n ARG 60 N -1.11 2.09 0.00 2.91 3.00 -1.26 -5.04 116.66 117.25 1vs7 n ARG 60 Ca -0.03 -0.03 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 1vs7 n ARG 60 Cb 0.62 -0.26 0.00 0.00 0.00 0.00 0.00 32.46 32.82 1vs7 n ARG 60 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1vs7 n ASN 61 N -0.31 0.00 -1.46 6.15 5.03 -1.26 -4.89 115.26 118.52 1vs7 n ASN 61 Ca 0.00 0.00 0.17 0.00 0.87 0.00 0.00 54.58 55.62 1vs7 n ASN 61 Cb 0.03 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 38.69 1vs7 n ASN 61 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1vs7 n ARG 62 N 0.00 -3.37 -1.93 3.52 1.74 -1.26 -4.72 116.66 110.65 1vs7 n ARG 62 Ca 0.00 2.76 -0.42 0.00 -0.77 0.00 0.00 57.85 59.42 1vs7 n ARG 62 Cb 0.00 -3.93 -0.03 0.00 -1.02 0.00 0.00 32.46 27.48 1vs7 n ARG 62 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vs7 h ARG 64 N 9.21 -1.21 0.00 0.00 9.65 -1.81 -0.15 114.38 130.07 1vs7 h ARG 64 Ca -0.42 0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.54 1vs7 h ARG 64 Cb 1.20 0.27 0.00 0.00 -1.39 0.00 0.00 29.97 30.05 1vs7 h ARG 64 CO 0.94 -0.81 0.00 0.94 2.80 0.00 0.00 179.97 183.85 1vs7 n GLN 65 N -5.63 0.00 -0.03 0.20 -0.06 -1.26 -4.40 117.38 106.20 1vs7 n GLN 65 Ca -0.16 0.58 -0.02 0.00 -2.00 0.00 0.00 57.00 55.40 1vs7 n GLN 65 Cb 0.50 -1.22 -0.01 0.00 -4.06 0.00 0.00 30.24 25.45 1vs7 n GLN 65 CO 0.00 0.00 0.00 1.79 -0.20 0.00 0.00 177.06 178.65 1vs7 h THR 66 N 0.00 0.00 0.00 1.69 1.35 -1.99 -3.50 112.91 110.46 1vs7 h THR 66 Ca 0.00 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1vs7 h THR 66 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1vs7 h THR 66 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1vs7 n GLY 67 N 1.74 0.35 2.71 5.82 0.00 -0.07 -4.81 105.19 110.93 1vs7 n GLY 67 Ca -0.02 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 1vs7 n GLY 67 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1vs7 s ARG 68 N 0.00 0.40 0.00 1.61 3.52 -1.26 -2.13 118.95 121.09 1vs7 s ARG 68 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.56 1vs7 s ARG 68 Cb 0.00 -1.41 0.00 0.00 -1.56 0.00 0.00 34.95 31.98 1vs7 s ARG 68 CO 0.00 -0.48 0.00 -0.35 -0.81 0.00 0.00 175.30 173.66 1vs7 n PRO 69 N 5.17 2.93 0.00 5.12 -0.04 -1.26 -2.60 135.00 144.32 1vs7 n PRO 69 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1vs7 n PRO 69 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 1vs7 n PRO 69 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1vs7 n HIS 70 N 0.00 0.00 -1.51 0.54 8.25 -1.26 -4.55 115.22 116.69 1vs7 n HIS 70 Ca 0.00 0.00 -0.54 0.00 -0.26 0.00 0.00 57.72 56.92 1vs7 n HIS 70 Cb 0.00 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 1vs7 n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vs7 n GLY 71 N 0.00 0.58 3.30 -1.41 0.00 -1.26 -4.89 105.19 101.50 1vs7 n GLY 71 Ca 0.00 0.95 -0.17 0.00 0.00 0.00 0.00 46.02 46.80 1vs7 n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vs7 s PHE 72 N 5.86 1.52 -0.38 1.61 0.08 -1.26 -3.62 117.98 121.80 1vs7 s PHE 72 Ca 1.07 -1.41 -0.04 0.00 0.12 0.00 0.00 56.93 56.67 1vs7 s PHE 72 Cb -0.99 -0.77 0.21 0.00 -0.57 0.00 0.00 43.02 40.90 1vs7 s PHE 72 CO 0.56 -0.59 1.04 1.28 -0.10 0.00 0.00 175.22 177.41 1vs7 n LEU 73 N -0.51 -1.84 -0.11 -0.37 4.77 -1.24 -4.59 117.00 113.10 1vs7 n LEU 73 Ca 0.02 -1.38 0.01 0.00 -0.03 0.00 0.00 56.01 54.63 1vs7 n LEU 73 Cb 0.65 0.59 0.03 0.00 -2.33 0.00 0.00 43.42 42.36 1vs7 n LEU 73 CO 0.34 1.35 0.20 0.54 -1.33 0.00 0.00 177.39 178.48 1vs7 n ARG 74 N 2.59 -0.04 -0.01 3.23 5.12 -1.26 0.04 116.66 126.32 1vs7 n ARG 74 Ca 0.12 0.48 -0.01 0.00 -1.93 0.00 0.00 57.85 56.51 1vs7 n ARG 74 Cb 0.64 -0.71 -0.01 0.00 -1.16 0.00 0.00 32.46 31.21 1vs7 n ARG 74 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1vs7 h LYS 75 N 0.00 -0.03 0.00 5.56 1.63 -1.97 -2.80 116.57 118.96 1vs7 h LYS 75 Ca 0.14 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.92 1vs7 h LYS 75 Cb 0.21 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1vs7 h LYS 75 CO -0.31 -0.02 -0.09 0.74 -3.45 0.00 0.00 179.45 176.32 1vs7 h PHE 76 N -0.03 0.00 -0.27 1.91 0.05 -1.42 -3.47 116.94 113.72 1vs7 h PHE 76 Ca 0.01 0.00 -0.11 0.00 3.82 0.00 0.00 57.97 61.68 1vs7 h PHE 76 Cb 0.04 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 37.95 1vs7 h PHE 76 CO -0.62 0.09 -0.10 0.41 -0.18 0.00 0.00 178.31 177.91 1vs7 n GLY 77 N 1.06 0.72 3.50 -1.45 0.00 0.11 -4.96 105.19 104.17 1vs7 n GLY 77 Ca 0.03 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 1vs7 n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vs7 s LEU 78 N -1.27 2.71 0.99 0.99 1.02 -1.26 -2.81 118.68 119.06 1vs7 s LEU 78 Ca 0.00 -0.66 -0.12 0.00 0.02 0.00 0.00 54.13 53.37 1vs7 s LEU 78 Cb 0.00 -1.47 0.16 0.00 0.02 0.00 0.00 46.19 44.90 1vs7 s LEU 78 CO 0.00 0.13 0.91 -1.54 0.02 0.00 0.00 176.35 175.88 1vs7 n SER 79 N 0.35 -0.72 -0.10 2.29 3.41 -1.25 -3.69 113.62 113.90 1vs7 n SER 79 Ca -0.13 0.24 0.22 0.00 -0.26 0.00 0.00 58.87 58.95 1vs7 n SER 79 Cb 0.55 -1.35 0.66 0.00 -0.26 0.00 0.00 64.21 63.80 1vs7 n SER 79 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1vs7 h ARG 80 N -2.03 0.10 0.06 4.33 0.11 -1.81 -1.77 114.38 113.37 1vs7 h ARG 80 Ca -0.48 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 59.59 1vs7 h ARG 80 Cb 1.29 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.35 1vs7 h ARG 80 CO 0.41 0.07 -0.03 0.82 0.10 0.00 0.00 179.97 181.34 1vs7 h ILE 81 N 0.10 0.00 -0.99 0.08 2.04 -1.91 -3.23 117.51 113.60 1vs7 h ILE 81 Ca 0.35 -0.08 0.33 0.00 1.00 0.00 0.00 64.86 66.46 1vs7 h ILE 81 Cb 1.22 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.15 1vs7 h ILE 81 CO -0.04 0.00 0.54 0.11 0.00 0.00 0.00 178.15 178.76 1vs7 h LYS 82 N -0.16 0.26 0.06 2.37 6.56 -1.84 0.13 116.57 123.96 1vs7 h LYS 82 Ca -0.01 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1vs7 h LYS 82 Cb 0.06 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 1vs7 h LYS 82 CO 0.01 0.17 -0.13 0.28 -2.06 0.00 0.00 179.45 177.73 1vs7 h VAL 83 N 0.27 0.00 -0.77 0.50 2.07 -1.43 -2.10 116.25 114.79 1vs7 h VAL 83 Ca 0.74 0.00 0.14 0.00 0.82 0.00 0.00 66.70 68.40 1vs7 h VAL 83 Cb 1.72 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.39 1vs7 h VAL 83 CO -0.64 0.00 0.32 -0.09 0.02 0.00 0.00 177.57 177.18 1vs7 h ARG 84 N -0.20 0.45 -0.71 1.57 2.43 -1.25 0.39 114.38 117.06 1vs7 h ARG 84 Ca -0.01 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.20 1vs7 h ARG 84 Cb 0.20 -0.10 -0.09 0.00 -0.42 0.00 0.00 29.97 29.56 1vs7 h ARG 84 CO -0.06 0.30 -0.42 0.39 -1.51 0.00 0.00 179.97 178.68 1vs7 n GLU 85 N -4.98 -0.31 0.03 0.20 -0.58 0.35 -2.25 120.64 113.10 1vs7 n GLU 85 Ca 0.15 1.33 -0.02 0.00 -0.42 0.00 0.00 57.16 58.20 1vs7 n GLU 85 Cb 0.42 -1.97 -0.08 0.00 -0.57 0.00 0.00 31.44 29.24 1vs7 n GLU 85 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1vs7 h ALA 86 N 0.09 0.66 -1.00 0.62 0.00 -1.11 -3.37 119.26 115.16 1vs7 h ALA 86 Ca 0.11 -0.92 0.26 0.00 0.00 0.00 0.00 54.91 54.37 1vs7 h ALA 86 Cb 0.29 0.26 -0.13 0.00 0.00 0.00 0.00 17.79 18.21 1vs7 h ALA 86 CO -0.67 1.02 0.58 0.00 0.00 0.00 0.00 179.25 180.19 1vs7 h ALA 87 N 1.33 1.82 0.00 0.00 0.00 0.22 0.41 119.26 123.04 1vs7 h ALA 87 Ca -0.16 0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1vs7 h ALA 87 Cb 1.65 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1vs7 h ALA 87 CO 0.06 -0.33 -0.71 0.52 0.00 0.00 0.00 179.25 178.78 1vs7 h MET 88 N 0.52 0.00 0.00 0.00 2.86 -1.64 -3.08 114.93 113.59 1vs7 h MET 88 Ca 0.66 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.30 1vs7 h MET 88 Cb 1.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.98 1vs7 h MET 88 CO -0.51 0.71 0.00 0.54 1.06 0.00 0.00 176.91 178.72 1vs7 n ARG 89 N -3.43 0.85 -1.37 1.72 1.74 0.14 -4.82 116.66 111.49 1vs7 n ARG 89 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 1vs7 n ARG 89 Cb 0.76 -1.07 -0.05 0.00 -1.02 0.00 0.00 32.46 31.08 1vs7 n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vs7 n GLY 90 N 0.40 1.31 0.21 -0.13 0.00 -1.03 -4.83 105.19 101.11 1vs7 n GLY 90 Ca 0.03 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 46.02 1vs7 n GLY 90 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1vs7 h GLU 91 N 0.05 0.00 -5.28 1.61 4.39 -1.70 -3.42 114.58 110.23 1vs7 h GLU 91 Ca -0.26 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 58.80 1vs7 h GLU 91 Cb 1.02 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.46 1vs7 h GLU 91 CO 0.38 0.00 -0.65 0.42 -1.16 0.00 0.00 179.01 178.00 1vs7 s ILE 92 N -3.43 4.00 -0.12 3.13 1.01 -1.26 -5.01 121.20 119.53 1vs7 s ILE 92 Ca 0.04 -0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.08 1vs7 s ILE 92 Cb 0.09 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.78 1vs7 s ILE 92 CO 0.53 0.48 1.06 -2.16 0.00 0.00 0.00 174.94 174.85 1vs7 s PRO 93 N 0.43 4.38 0.00 2.79 0.04 -1.26 -3.81 135.00 137.57 1vs7 s PRO 93 Ca -0.03 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1vs7 s PRO 93 Cb -0.14 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1vs7 s PRO 93 CO 0.02 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.07 1vs7 n GLY 94 N 3.19 2.83 3.68 0.56 0.00 -1.26 -5.02 105.19 109.17 1vs7 n GLY 94 Ca 0.10 -0.07 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 1vs7 n GLY 94 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1vs7 n LEU 95 N 0.00 3.36 0.00 0.99 -0.00 -1.25 -4.96 117.00 115.13 1vs7 n LEU 95 Ca 0.00 1.05 -0.14 0.00 -0.00 0.00 0.00 56.01 56.92 1vs7 n LEU 95 Cb 0.00 -1.45 -0.03 0.00 -0.00 0.00 0.00 43.42 41.94 1vs7 n LEU 95 CO 0.00 -0.15 0.19 1.17 -0.00 0.00 0.00 177.39 178.60 1vs7 n LYS 96 N 4.21 0.73 -2.42 1.96 4.81 -1.26 -5.02 118.16 121.17 1vs7 n LYS 96 Ca 0.18 -2.79 -0.42 0.00 -0.87 0.00 0.00 58.31 54.41 1vs7 n LYS 96 Cb 0.30 2.72 -0.02 0.00 0.02 0.00 0.00 35.03 38.05 1vs7 n LYS 96 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1vs7 s LYS 97 N -2.76 3.49 -0.51 1.64 -0.14 -1.26 -4.97 119.74 115.22 1vs7 s LYS 97 Ca 0.29 0.65 -0.28 0.00 -1.36 0.00 0.00 55.97 55.26 1vs7 s LYS 97 Cb -0.01 -4.04 0.01 0.00 -1.68 0.00 0.00 37.83 32.10 1vs7 s LYS 97 CO 0.20 -1.69 1.48 0.00 -0.76 0.00 0.00 175.35 174.59 1vs7 s ALA 98 N 5.49 2.81 0.02 5.17 0.00 -1.26 -4.97 121.76 129.02 1vs7 s ALA 98 Ca 0.55 -0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.01 1vs7 s ALA 98 Cb -0.11 -4.08 -0.02 0.00 0.00 0.00 0.00 23.12 18.92 1vs7 s ALA 98 CO 0.29 -2.87 -0.00 -1.54 0.00 0.00 0.00 175.76 171.65 1vs7 s SER 99 N 4.74 0.21 0.00 0.00 1.04 -1.26 -5.35 113.70 113.08 1vs7 s SER 99 Ca 0.58 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1vs7 s SER 99 Cb -0.12 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1vs7 s SER 99 CO 0.27 -0.32 0.00 -2.67 0.98 0.00 0.00 173.24 171.50