#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs6 n LEU 2 N 0.00 0.00 0.00 -0.89 4.77 -1.26 -4.70 117.00 114.92 1vs6 n LEU 2 Ca 0.00 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 1vs6 n LEU 2 Cb 0.00 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1vs6 n LEU 2 CO 0.00 -0.62 0.00 0.00 -1.33 0.00 0.00 177.39 175.44 1vs6 n GLN 3 N -1.53 0.00 -1.69 3.23 -0.00 -1.26 -4.97 117.38 111.17 1vs6 n GLN 3 Ca 0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 57.00 57.00 1vs6 n GLN 3 Cb 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 30.24 30.43 1vs6 n GLN 3 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1vs6 n PRO 4 N -1.26 -1.05 -3.78 2.61 -0.02 -1.26 0.38 135.00 130.62 1vs6 n PRO 4 Ca 0.00 0.02 -0.34 0.00 -2.02 0.00 0.00 63.50 61.16 1vs6 n PRO 4 Cb 0.00 -0.75 0.03 0.00 -0.02 0.00 0.00 33.50 32.76 1vs6 n PRO 4 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1vs6 n LYS 5 N -0.90 -0.96 -2.61 -0.52 0.00 -1.26 -4.87 118.16 107.05 1vs6 n LYS 5 Ca 0.01 0.43 -0.42 0.00 0.00 0.00 0.00 58.31 58.34 1vs6 n LYS 5 Cb 0.07 -3.49 -0.04 0.00 0.00 0.00 0.00 35.03 31.58 1vs6 n LYS 5 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1vs6 s ARG 6 N -6.13 4.57 0.00 1.64 6.06 1.22 -5.04 118.95 121.27 1vs6 s ARG 6 Ca 0.40 1.57 0.00 0.00 -2.50 0.00 0.00 55.73 55.20 1vs6 s ARG 6 Cb -0.17 -3.38 0.00 0.00 0.06 0.00 0.00 34.95 31.46 1vs6 s ARG 6 CO 0.89 -0.01 0.00 2.41 -2.50 0.00 0.00 175.30 176.09 1vs6 n THR 7 N 3.34 0.00 -3.22 4.11 -1.04 -1.26 -4.89 114.28 111.32 1vs6 n THR 7 Ca 0.05 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.82 1vs6 n THR 7 Cb 0.48 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.93 1vs6 n THR 7 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1vs6 n LYS 8 N 0.00 1.51 0.00 -2.82 4.76 -1.26 -4.92 118.16 115.43 1vs6 n LYS 8 Ca 0.00 -3.81 0.00 0.00 -2.87 0.00 0.00 58.31 51.63 1vs6 n LYS 8 Cb 0.00 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.50 1vs6 n LYS 8 CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00 1vs6 n PHE 9 N 0.88 0.00 0.00 2.13 -1.74 -1.26 -4.56 117.46 112.91 1vs6 n PHE 9 Ca 0.25 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.14 1vs6 n PHE 9 Cb 0.51 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.51 1vs6 n PHE 9 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 1vs6 n ARG 10 N 0.00 0.00 0.00 3.97 5.12 -1.26 -5.15 116.66 119.34 1vs6 n ARG 10 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1vs6 n ARG 10 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1vs6 n ARG 10 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1vs6 n LYS 11 N 0.00 0.00 -3.60 5.56 4.76 -1.26 -5.01 118.16 118.61 1vs6 n LYS 11 Ca 0.00 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.23 1vs6 n LYS 11 Cb 0.00 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.20 1vs6 n LYS 11 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vs6 n MET 12 N 0.00 -1.58 0.00 1.97 0.00 -1.26 -4.65 117.12 111.60 1vs6 n MET 12 Ca 0.00 1.01 0.00 0.00 0.00 0.00 0.00 57.70 58.71 1vs6 n MET 12 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 33.22 30.24 1vs6 n MET 12 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1vs6 n HIS 13 N -2.11 -1.89 0.00 3.17 8.25 -1.26 -4.96 115.22 116.43 1vs6 n HIS 13 Ca -0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 1vs6 n HIS 13 Cb 0.65 0.27 0.00 0.00 1.12 0.00 0.00 29.99 32.03 1vs6 n HIS 13 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1vs6 n LYS 14 N -1.78 0.00 0.00 -0.41 2.85 -1.26 -5.07 118.16 112.49 1vs6 n LYS 14 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1vs6 n LYS 14 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1vs6 n LYS 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vs6 n GLY 15 N 0.00 3.80 0.85 2.58 0.00 -1.26 -4.97 105.19 106.19 1vs6 n GLY 15 Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 46.02 45.84 1vs6 n GLY 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1vs6 n ARG 16 N 0.00 -2.06 0.00 1.61 0.63 -1.26 -4.72 116.66 110.86 1vs6 n ARG 16 Ca 0.00 1.66 0.00 0.00 -0.92 0.00 0.00 57.85 58.59 1vs6 n ARG 16 Cb 0.00 -2.27 0.00 0.00 0.45 0.00 0.00 32.46 30.64 1vs6 n ARG 16 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1vs6 n ASN 17 N -3.00 0.00 -1.77 6.15 4.13 -1.26 -5.03 115.26 114.48 1vs6 n ASN 17 Ca -0.04 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.16 1vs6 n ASN 17 Cb 0.36 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.58 1vs6 n ASN 17 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1vs6 n ARG 18 N 0.00 0.20 0.00 3.52 0.00 -1.26 -5.10 116.66 114.02 1vs6 n ARG 18 Ca 0.00 -1.11 0.00 0.00 -0.00 0.00 0.00 57.85 56.74 1vs6 n ARG 18 Cb 0.00 0.99 0.00 0.00 -0.00 0.00 0.00 32.46 33.45 1vs6 n ARG 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vs6 n GLY 19 N -0.22 4.19 3.41 2.89 0.00 -1.26 -5.18 105.19 109.02 1vs6 n GLY 19 Ca 0.02 -0.64 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 1vs6 n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vs6 s LEU 20 N 0.00 1.98 0.00 0.99 1.43 -1.26 -5.09 118.68 116.73 1vs6 s LEU 20 Ca 0.00 -1.40 0.00 0.00 -1.03 0.00 0.00 54.13 51.70 1vs6 s LEU 20 Cb 0.00 -0.23 0.00 0.00 0.03 0.00 0.00 46.19 45.99 1vs6 s LEU 20 CO 0.00 -0.67 0.00 0.00 0.23 0.00 0.00 176.35 175.91 1vs6 n ALA 21 N -0.62 0.00 -2.54 4.21 0.00 -1.26 -5.16 120.51 115.14 1vs6 n ALA 21 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.22 1vs6 n ALA 21 Cb 0.66 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.00 1vs6 n ALA 21 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1vs6 s GLN 22 N 1.15 1.05 1.02 0.00 0.74 -1.26 -4.92 119.66 117.44 1vs6 s GLN 22 Ca 0.00 -1.19 -0.14 0.00 0.05 0.00 0.00 55.36 54.08 1vs6 s GLN 22 Cb 0.00 -1.09 0.20 0.00 1.10 0.00 0.00 33.01 33.21 1vs6 s GLN 22 CO 0.00 0.23 1.12 0.20 -0.55 0.00 0.00 175.29 176.29 1vs6 s GLY 23 N -2.20 1.58 -0.33 2.59 0.00 -1.26 -4.83 107.32 102.87 1vs6 s GLY 23 Ca 0.07 -0.57 0.15 0.00 0.00 0.00 0.00 44.72 44.38 1vs6 s GLY 23 CO 0.04 0.09 1.41 -0.37 0.00 0.00 0.00 173.10 174.27 1vs6 n THR 24 N -4.17 0.32 -4.00 0.90 5.66 -1.26 -4.96 114.28 106.77 1vs6 n THR 24 Ca 0.07 -1.56 -0.12 0.00 -3.05 0.00 0.00 64.05 59.39 1vs6 n THR 24 Cb 0.58 1.06 -0.03 0.00 -1.55 0.00 0.00 70.33 70.40 1vs6 n THR 24 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1vs6 s ASP 25 N -1.82 0.50 0.00 1.09 1.11 -1.26 -5.12 116.67 111.17 1vs6 s ASP 25 Ca 0.15 -1.29 0.00 0.00 0.18 0.00 0.00 52.55 51.59 1vs6 s ASP 25 Cb 0.42 0.70 0.00 0.00 1.07 0.00 0.00 42.92 45.11 1vs6 s ASP 25 CO -0.10 -1.38 0.00 0.52 1.18 0.00 0.00 175.17 175.40 1vs6 n VAL 26 N -0.52 0.00 -3.93 -1.27 0.31 -1.26 -4.95 118.33 106.71 1vs6 n VAL 26 Ca -0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.21 1vs6 n VAL 26 Cb 0.61 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.53 1vs6 n VAL 26 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1vs6 s SER 27 N 1.00 0.24 -0.27 4.52 0.15 -1.26 -4.91 113.70 113.16 1vs6 s SER 27 Ca 0.00 -1.16 0.06 0.00 0.70 0.00 0.00 55.95 55.55 1vs6 s SER 27 Cb 0.00 0.74 0.22 0.00 -1.71 0.00 0.00 66.02 65.27 1vs6 s SER 27 CO 0.00 -1.45 1.14 0.33 1.20 0.00 0.00 173.24 174.46 1vs6 n PHE 28 N -0.51 -1.25 0.00 3.44 -0.00 -1.26 -5.07 117.46 112.80 1vs6 n PHE 28 Ca -0.04 -1.12 0.00 0.00 -0.00 0.00 0.00 57.45 56.29 1vs6 n PHE 28 Cb 0.61 1.25 0.00 0.00 -0.00 0.00 0.00 39.48 41.33 1vs6 n PHE 28 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1vs6 n GLY 29 N -0.70 -1.96 1.62 7.13 0.00 -1.26 -5.08 105.19 104.94 1vs6 n GLY 29 Ca -0.13 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1vs6 n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vs6 n SER 30 N -0.78 -0.36 -4.94 1.61 3.41 -1.26 -4.82 113.62 106.48 1vs6 n SER 30 Ca 0.00 0.09 -0.23 0.00 -0.26 0.00 0.00 58.87 58.46 1vs6 n SER 30 Cb 0.00 0.70 -0.03 0.00 -0.26 0.00 0.00 64.21 64.62 1vs6 n SER 30 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1vs6 s PHE 31 N -1.10 3.42 0.14 7.33 2.19 -1.26 -3.47 117.98 125.23 1vs6 s PHE 31 Ca 0.00 0.03 -0.11 0.00 0.33 0.00 0.00 56.93 57.18 1vs6 s PHE 31 Cb 0.00 -1.59 0.00 0.00 -1.31 0.00 0.00 43.02 40.12 1vs6 s PHE 31 CO 0.00 0.48 0.31 0.20 1.83 0.00 0.00 175.22 178.04 1vs6 s GLY 32 N -3.63 0.20 -0.60 13.12 0.00 -1.20 -3.68 107.32 111.54 1vs6 s GLY 32 Ca 0.34 -0.62 0.06 0.00 0.00 0.00 0.00 44.72 44.50 1vs6 s GLY 32 CO 0.28 -0.68 0.60 1.04 0.00 0.00 0.00 173.10 174.34 1vs6 n LEU 33 N -0.19 2.55 -4.66 0.66 4.77 -1.25 -4.23 117.00 114.65 1vs6 n LEU 33 Ca -0.11 -5.15 -0.55 0.00 -0.03 0.00 0.00 56.01 50.16 1vs6 n LEU 33 Cb 0.63 -0.36 -0.07 0.00 -2.33 0.00 0.00 43.42 41.29 1vs6 n LEU 33 CO 0.22 1.96 1.14 0.29 -1.33 0.00 0.00 177.39 179.67 1vs6 n LYS 34 N 1.44 1.12 0.00 3.23 4.76 -1.18 -3.21 118.16 124.31 1vs6 n LYS 34 Ca 0.26 0.41 0.00 0.00 -2.87 0.00 0.00 58.31 56.10 1vs6 n LYS 34 Cb 0.42 -2.07 0.00 0.00 -1.84 0.00 0.00 35.03 31.54 1vs6 n LYS 34 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vs6 n ALA 35 N 4.13 -0.08 -1.65 7.82 0.00 -1.13 -3.05 120.51 126.54 1vs6 n ALA 35 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1vs6 n ALA 35 Cb 0.15 0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.68 1vs6 n ALA 35 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1vs6 n VAL 36 N -0.98 -5.43 -1.27 0.00 0.24 -1.23 -3.76 118.33 105.90 1vs6 n VAL 36 Ca 0.00 2.46 -0.00 0.00 -2.04 0.00 0.00 64.34 64.76 1vs6 n VAL 36 Cb 0.00 -3.35 -0.00 0.00 -1.47 0.00 0.00 33.84 29.01 1vs6 n VAL 36 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1vs6 n GLY 37 N -0.54 -3.03 3.60 7.63 0.00 -1.26 -4.60 105.19 107.00 1vs6 n GLY 37 Ca 0.00 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 1vs6 n GLY 37 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1vs6 n ARG 38 N 0.11 0.10 -2.80 1.61 0.63 -1.11 -4.70 116.66 110.50 1vs6 n ARG 38 Ca -0.01 0.10 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 1vs6 n ARG 38 Cb 0.02 -2.23 0.00 0.00 0.45 0.00 0.00 32.46 30.70 1vs6 n ARG 38 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1vs6 n GLY 39 N 0.90 -0.53 3.52 5.14 0.00 -0.74 -5.01 105.19 108.47 1vs6 n GLY 39 Ca 0.12 -0.87 -0.07 0.00 0.00 0.00 0.00 46.02 45.19 1vs6 n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1vs6 s ARG 40 N -1.38 0.58 0.26 1.61 1.70 -1.26 -2.68 118.95 117.78 1vs6 s ARG 40 Ca 0.00 1.14 -0.30 0.00 -0.47 0.00 0.00 55.73 56.11 1vs6 s ARG 40 Cb 0.00 0.23 -0.09 0.00 -0.57 0.00 0.00 34.95 34.52 1vs6 s ARG 40 CO 0.00 -0.17 1.14 -0.51 -1.08 0.00 0.00 175.30 174.69 1vs6 s LEU 41 N 1.87 4.51 0.00 -1.89 1.43 -0.12 -4.82 118.68 119.66 1vs6 s LEU 41 Ca -0.09 2.29 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 1vs6 s LEU 41 Cb -0.08 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.52 1vs6 s LEU 41 CO -0.17 -0.24 0.75 1.07 0.23 0.00 0.00 176.35 177.98 1vs6 n THR 42 N 1.54 0.00 0.00 5.49 5.66 -1.26 0.59 114.28 126.31 1vs6 n THR 42 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1vs6 n THR 42 Cb 0.44 -0.20 0.00 0.00 -1.55 0.00 0.00 70.33 69.03 1vs6 n THR 42 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1vs6 n ALA 43 N -0.30 0.00 0.26 1.79 0.00 -1.22 -3.97 120.51 117.07 1vs6 n ALA 43 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1vs6 n ALA 43 Cb 0.09 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.05 1vs6 n ALA 43 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1vs6 h ARG 44 N 0.00 0.00 -0.06 0.00 2.43 -1.84 0.46 114.38 115.36 1vs6 h ARG 44 Ca 0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1vs6 h ARG 44 Cb 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1vs6 h ARG 44 CO 0.00 0.00 -0.36 0.37 -1.51 0.00 0.00 179.97 178.47 1vs6 h GLN 45 N 0.00 0.35 -0.84 0.20 5.75 -1.93 -2.76 115.11 115.89 1vs6 h GLN 45 Ca 0.00 -0.30 0.17 0.00 -0.15 0.00 0.00 58.65 58.38 1vs6 h GLN 45 Cb 0.81 0.06 -0.06 0.00 1.07 0.00 0.00 27.48 29.37 1vs6 h GLN 45 CO 0.00 0.95 0.55 0.82 -2.65 0.00 0.00 178.83 178.50 1vs6 h ILE 46 N -0.14 0.74 -0.15 2.39 2.04 -0.43 0.44 117.51 122.40 1vs6 h ILE 46 Ca -0.03 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1vs6 h ILE 46 Cb 1.02 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1vs6 h ILE 46 CO 0.07 0.08 -0.03 -0.08 0.00 0.00 0.00 178.15 178.19 1vs6 h GLU 47 N 0.44 0.29 0.00 2.37 4.57 -1.48 0.61 114.58 121.38 1vs6 h GLU 47 Ca 0.42 -0.11 -0.03 0.00 -1.18 0.00 0.00 59.36 58.46 1vs6 h GLU 47 Cb 0.99 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.56 1vs6 h GLU 47 CO -0.15 0.56 -0.16 0.00 -1.18 0.00 0.00 179.01 178.08 1vs6 h ALA 48 N 0.72 1.72 0.12 2.92 0.00 -0.45 0.12 119.26 124.41 1vs6 h ALA 48 Ca 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1vs6 h ALA 48 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1vs6 h ALA 48 CO 0.01 0.19 -0.06 0.00 0.00 0.00 0.00 179.25 179.40 1vs6 h ALA 49 N 1.84 -0.16 0.33 0.00 0.00 0.05 -3.10 119.26 118.23 1vs6 h ALA 49 Ca -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1vs6 h ALA 49 Cb 0.28 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1vs6 h ALA 49 CO 0.02 -0.26 -0.16 -0.09 0.00 0.00 0.00 179.25 178.76 1vs6 h ARG 50 N -0.82 -0.43 -0.72 0.00 9.65 -0.65 -1.78 114.38 119.64 1vs6 h ARG 50 Ca -0.02 0.03 0.21 0.00 -1.10 0.00 0.00 59.98 59.10 1vs6 h ARG 50 Cb 0.56 0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 29.20 1vs6 h ARG 50 CO 0.03 -0.27 0.64 0.00 2.80 0.00 0.00 179.97 183.16 1vs6 h ARG 51 N -0.46 0.00 0.00 0.20 3.08 -0.89 0.35 114.38 116.66 1vs6 h ARG 51 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1vs6 h ARG 51 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1vs6 h ARG 51 CO 0.07 0.00 -0.86 0.00 -1.07 0.00 0.00 179.97 178.12 1vs6 n ALA 52 N -2.50 4.14 0.50 0.04 0.00 -0.98 -4.25 120.51 117.46 1vs6 n ALA 52 Ca 0.15 -0.49 -0.05 0.00 0.00 0.00 0.00 53.44 53.05 1vs6 n ALA 52 Cb 0.90 -0.91 0.04 0.00 0.00 0.00 0.00 19.45 19.48 1vs6 n ALA 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1vs6 n MET 53 N -1.58 1.31 -2.81 0.00 1.56 0.12 -4.35 117.12 111.38 1vs6 n MET 53 Ca 0.04 -0.68 0.00 0.00 -0.27 0.00 0.00 57.70 56.79 1vs6 n MET 53 Cb 0.35 -1.29 0.01 0.00 2.15 0.00 0.00 33.22 34.44 1vs6 n MET 53 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 1vs6 s THR 54 N -0.78 -0.39 0.00 1.12 -4.23 -1.26 -5.04 115.64 105.07 1vs6 s THR 54 Ca 0.13 -0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 1vs6 s THR 54 Cb 0.11 0.00 0.00 0.00 1.34 0.00 0.00 72.50 73.95 1vs6 s THR 54 CO 0.03 0.00 0.00 -1.14 -0.54 0.00 0.00 174.62 172.97 1vs6 n ARG 55 N 3.49 0.00 -0.03 3.99 0.00 -1.26 -4.94 116.66 117.91 1vs6 n ARG 55 Ca 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.93 1vs6 n ARG 55 Cb 0.62 -0.77 -0.00 0.00 0.00 0.00 0.00 32.46 32.31 1vs6 n ARG 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1vs6 h ALA 56 N 0.00 0.00 -2.58 5.13 0.00 -1.96 -3.47 119.26 116.38 1vs6 h ALA 56 Ca 0.00 -0.19 -0.55 0.00 0.00 0.00 0.00 54.91 54.16 1vs6 h ALA 56 Cb 0.54 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1vs6 h ALA 56 CO 0.00 0.13 -0.09 0.08 0.00 0.00 0.00 179.25 179.37 1vs6 s VAL 57 N -1.46 4.87 1.03 0.00 1.01 -1.26 -5.07 120.40 119.52 1vs6 s VAL 57 Ca -0.04 0.77 -0.15 0.00 0.00 0.00 0.00 61.98 62.56 1vs6 s VAL 57 Cb 0.01 -3.71 0.16 0.00 0.00 0.00 0.00 36.38 32.83 1vs6 s VAL 57 CO 0.06 0.19 0.25 0.29 0.00 0.00 0.00 175.10 175.89 1vs6 n LYS 58 N 0.65 -2.19 0.00 2.72 5.02 -1.26 -4.65 118.16 118.45 1vs6 n LYS 58 Ca -0.04 -0.65 0.00 0.00 -2.02 0.00 0.00 58.31 55.60 1vs6 n LYS 58 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1vs6 n LYS 58 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1vs6 n ARG 59 N -1.78 0.20 -0.72 1.97 3.00 -1.26 -4.78 116.66 113.29 1vs6 n ARG 59 Ca 0.05 0.00 -0.32 0.00 -0.01 0.00 0.00 57.85 57.57 1vs6 n ARG 59 Cb 0.40 -1.05 0.15 0.00 0.00 0.00 0.00 32.46 31.96 1vs6 n ARG 59 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1vs6 n GLN 60 N -0.07 -0.48 -0.46 5.56 1.13 -1.26 -4.76 117.38 117.04 1vs6 n GLN 60 Ca 0.00 -0.09 0.00 0.00 -1.94 0.00 0.00 57.00 54.97 1vs6 n GLN 60 Cb 0.02 -2.10 0.00 0.00 0.11 0.00 0.00 30.24 28.27 1vs6 n GLN 60 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1vs6 n GLY 61 N 0.93 -3.74 3.56 1.08 0.00 -1.26 -4.74 105.19 101.02 1vs6 n GLY 61 Ca 0.09 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 44.99 1vs6 n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vs6 s LYS 62 N -3.49 2.65 -0.16 1.61 2.47 -0.47 -4.83 119.74 117.53 1vs6 s LYS 62 Ca 0.00 -0.35 -0.29 0.00 -1.56 0.00 0.00 55.97 53.77 1vs6 s LYS 62 Cb 0.00 -5.07 -0.01 0.00 -1.46 0.00 0.00 37.83 31.29 1vs6 s LYS 62 CO 0.00 -3.26 1.11 -1.50 0.16 0.00 0.00 175.35 171.86 1vs6 s ILE 63 N 9.59 4.55 -0.25 5.43 1.10 -1.26 -1.59 121.20 138.78 1vs6 s ILE 63 Ca 0.68 1.86 -0.02 0.00 -0.51 0.00 0.00 60.65 62.65 1vs6 s ILE 63 Cb -0.06 -4.20 0.12 0.00 0.15 0.00 0.00 42.46 38.47 1vs6 s ILE 63 CO -0.01 -0.10 0.28 0.86 -2.11 0.00 0.00 174.94 173.86 1vs6 s TRP 64 N 2.81 -0.45 -0.07 3.50 -0.00 0.21 -4.86 118.94 120.08 1vs6 s TRP 64 Ca 0.49 0.14 -0.12 0.00 -0.00 0.00 0.00 56.10 56.61 1vs6 s TRP 64 Cb -0.19 -0.35 -0.05 0.00 -0.00 0.00 0.00 33.47 32.89 1vs6 s TRP 64 CO 0.13 -0.77 0.30 0.96 -0.00 0.00 0.00 176.95 177.58 1vs6 s ILE 65 N 2.38 5.23 -0.72 5.86 -4.36 -1.26 0.60 121.20 128.92 1vs6 s ILE 65 Ca 0.09 0.59 0.04 0.00 -0.26 0.00 0.00 60.65 61.12 1vs6 s ILE 65 Cb -0.15 -3.60 0.19 0.00 1.25 0.00 0.00 42.46 40.15 1vs6 s ILE 65 CO -0.22 0.56 0.57 -2.11 0.24 0.00 0.00 174.94 173.98 1vs6 n ARG 66 N 2.17 2.05 -3.72 0.37 1.85 -1.20 0.02 116.66 118.19 1vs6 n ARG 66 Ca -0.16 -4.53 -0.13 0.00 -1.00 0.00 0.00 57.85 52.04 1vs6 n ARG 66 Cb 0.53 -2.30 -0.14 0.00 -1.05 0.00 0.00 32.46 29.50 1vs6 n ARG 66 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1vs6 s VAL 67 N -1.64 -0.12 -0.12 8.89 0.11 -1.26 -4.72 120.40 121.54 1vs6 s VAL 67 Ca 0.28 0.20 0.01 0.00 -2.93 0.00 0.00 61.98 59.54 1vs6 s VAL 67 Cb -0.01 -0.34 0.02 0.00 -1.53 0.00 0.00 36.38 34.52 1vs6 s VAL 67 CO -0.14 0.08 -0.13 -0.36 -3.33 0.00 0.00 175.10 171.22 1vs6 s PHE 68 N 1.51 1.90 0.00 1.54 0.08 -1.26 -4.87 117.98 116.88 1vs6 s PHE 68 Ca -0.06 -0.94 0.00 0.00 0.12 0.00 0.00 56.93 56.05 1vs6 s PHE 68 Cb -0.11 -1.41 0.00 0.00 -0.57 0.00 0.00 43.02 40.93 1vs6 s PHE 68 CO -0.07 -0.52 0.00 -0.35 -0.10 0.00 0.00 175.22 174.18 1vs6 n PRO 69 N 4.44 0.00 -0.91 0.24 -0.04 -1.26 -4.88 135.00 132.58 1vs6 n PRO 69 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1vs6 n PRO 69 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 1vs6 n PRO 69 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1vs6 n ASP 70 N 0.00 -1.22 0.00 3.54 2.03 -1.26 -4.81 116.55 114.83 1vs6 n ASP 70 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1vs6 n ASP 70 Cb 0.00 -0.61 0.00 0.00 -0.72 0.00 0.00 41.12 39.79 1vs6 n ASP 70 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1vs6 n LYS 71 N -0.23 0.00 -1.32 -0.67 -0.00 -1.26 -4.91 118.16 109.77 1vs6 n LYS 71 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.93 1vs6 n LYS 71 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 35.03 35.06 1vs6 n LYS 71 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1vs6 n PRO 72 N 0.00 0.22 -0.02 -1.58 -0.02 -1.26 -3.78 135.00 128.55 1vs6 n PRO 72 Ca 0.00 0.09 -0.05 0.00 -2.02 0.00 0.00 63.50 61.51 1vs6 n PRO 72 Cb 0.00 -1.33 -0.02 0.00 -0.02 0.00 0.00 33.50 32.13 1vs6 n PRO 72 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1vs6 n ILE 73 N -1.69 1.29 -0.23 4.25 -0.00 -1.26 -4.83 119.36 116.89 1vs6 n ILE 73 Ca 0.09 0.23 0.00 0.00 -0.00 0.00 0.00 62.75 63.07 1vs6 n ILE 73 Cb 0.48 -1.91 0.00 0.00 -0.00 0.00 0.00 39.64 38.21 1vs6 n ILE 73 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 1vs6 n THR 74 N -3.90 -0.49 -3.94 1.39 -1.04 -1.25 -4.99 114.28 100.06 1vs6 n THR 74 Ca -0.09 0.22 -0.10 0.00 -2.04 0.00 0.00 64.05 62.05 1vs6 n THR 74 Cb 0.29 -0.36 -0.06 0.00 -1.82 0.00 0.00 70.33 68.38 1vs6 n THR 74 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1vs6 s GLU 75 N -4.29 1.27 -0.11 -2.82 2.02 -1.26 -4.96 118.70 108.54 1vs6 s GLU 75 Ca 0.00 -1.16 0.02 0.00 0.02 0.00 0.00 54.97 53.85 1vs6 s GLU 75 Cb 0.00 0.41 -0.01 0.00 0.10 0.00 0.00 34.13 34.64 1vs6 s GLU 75 CO 0.00 -0.49 -0.19 0.15 0.02 0.00 0.00 175.26 174.75 1vs6 s LYS 76 N -3.97 3.20 0.00 1.61 1.02 -1.26 -3.36 119.74 116.98 1vs6 s LYS 76 Ca 0.18 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.38 1vs6 s LYS 76 Cb 0.02 -2.46 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 1vs6 s LYS 76 CO 0.02 0.19 0.00 -2.30 -0.92 0.00 0.00 175.35 172.34 1vs6 n PRO 77 N 3.54 2.12 -0.66 -1.68 -0.02 -1.26 -4.74 135.00 132.30 1vs6 n PRO 77 Ca -0.19 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.21 1vs6 n PRO 77 Cb 0.53 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 34.03 1vs6 n PRO 77 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1vs6 n LEU 78 N 0.00 5.66 -4.91 2.45 4.77 -1.26 -4.89 117.00 118.83 1vs6 n LEU 78 Ca 0.00 -2.77 -0.20 0.00 -0.03 0.00 0.00 56.01 53.00 1vs6 n LEU 78 Cb 0.00 -1.01 -0.02 0.00 -2.33 0.00 0.00 43.42 40.06 1vs6 n LEU 78 CO 0.00 1.05 -0.02 0.00 -1.33 0.00 0.00 177.39 177.09 1vs6 s ALA 79 N -0.99 4.01 0.00 -1.18 0.00 -1.26 -5.10 121.76 117.23 1vs6 s ALA 79 Ca 0.17 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.54 1vs6 s ALA 79 Cb 0.13 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.89 1vs6 s ALA 79 CO 0.00 -0.02 0.00 0.28 0.00 0.00 0.00 175.76 176.03 1vs6 n VAL 80 N -1.49 0.00 0.00 0.00 0.31 -1.26 -4.99 118.33 110.90 1vs6 n VAL 80 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1vs6 n VAL 80 Cb 0.59 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 1vs6 n VAL 80 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1vs6 n ARG 81 N 0.00 0.00 0.00 5.55 1.85 -1.26 -4.99 116.66 117.82 1vs6 n ARG 81 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1vs6 n ARG 81 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1vs6 n ARG 81 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 1vs6 n MET 82 N 0.00 0.96 -4.18 2.89 2.81 -1.26 -4.88 117.12 113.46 1vs6 n MET 82 Ca 0.00 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.56 1vs6 n MET 82 Cb 0.00 -1.08 -0.04 0.00 -0.71 0.00 0.00 33.22 31.39 1vs6 n MET 82 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1vs6 n GLY 83 N 0.38 -0.32 0.41 3.03 0.00 -1.26 -4.86 105.19 102.58 1vs6 n GLY 83 Ca 0.00 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 1vs6 n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vs6 n LYS 84 N -4.39 0.29 0.00 1.61 5.02 -1.26 -5.13 118.16 114.30 1vs6 n LYS 84 Ca -0.11 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1vs6 n LYS 84 Cb 0.58 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.53 1vs6 n LYS 84 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vs6 n GLY 85 N 2.41 1.11 0.00 0.72 0.00 -1.26 -5.11 105.19 103.05 1vs6 n GLY 85 Ca -0.25 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1vs6 n GLY 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vs6 n LYS 86 N 2.95 3.22 0.00 1.61 4.01 -1.21 -4.97 118.16 123.77 1vs6 n LYS 86 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1vs6 n LYS 86 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1vs6 n LYS 86 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1vs6 n GLY 87 N 1.85 -3.24 0.00 0.72 0.00 -1.26 -4.75 105.19 98.51 1vs6 n GLY 87 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1vs6 n GLY 87 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1vs6 n ASN 88 N 0.00 0.00 -1.96 1.61 3.02 -1.26 -3.85 115.26 112.82 1vs6 n ASN 88 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.52 1vs6 n ASN 88 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1vs6 n ASN 88 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1vs6 n VAL 89 N -0.95 -0.08 0.00 2.41 3.14 -1.26 -4.10 118.33 117.48 1vs6 n VAL 89 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1vs6 n VAL 89 Cb 0.00 -0.35 0.00 0.00 -1.06 0.00 0.00 33.84 32.43 1vs6 n VAL 89 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1vs6 n GLU 90 N -2.05 0.00 -2.26 1.45 2.13 -1.26 -5.09 120.64 113.56 1vs6 n GLU 90 Ca -0.03 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.74 1vs6 n GLU 90 Cb 0.36 -0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.07 1vs6 n GLU 90 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1vs6 n TYR 91 N -2.21 -2.00 -3.03 4.31 4.02 -1.26 -4.70 117.16 112.28 1vs6 n TYR 91 Ca 0.00 0.81 -0.45 0.00 -0.01 0.00 0.00 57.90 58.25 1vs6 n TYR 91 Cb 0.00 -2.98 -0.03 0.00 -0.02 0.00 0.00 39.34 36.32 1vs6 n TYR 91 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1vs6 s TRP 92 N -1.88 3.19 0.35 -0.72 0.51 -1.25 -3.43 118.94 115.72 1vs6 s TRP 92 Ca 0.14 -1.37 -0.26 0.00 -2.12 0.00 0.00 56.10 52.48 1vs6 s TRP 92 Cb -0.04 -4.14 -0.12 0.00 -0.81 0.00 0.00 33.47 28.35 1vs6 s TRP 92 CO 0.44 -1.37 1.01 1.33 -0.51 0.00 0.00 176.95 177.85 1vs6 n VAL 93 N 5.23 2.14 -2.98 4.03 0.24 0.20 -4.70 118.33 122.49 1vs6 n VAL 93 Ca 0.14 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.52 1vs6 n VAL 93 Cb 0.47 -1.09 -0.05 0.00 -1.47 0.00 0.00 33.84 31.70 1vs6 n VAL 93 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vs6 s ALA 94 N -1.16 3.45 -0.21 2.33 0.00 -1.26 -0.95 121.76 123.95 1vs6 s ALA 94 Ca 0.60 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.90 1vs6 s ALA 94 Cb -0.63 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 19.23 1vs6 s ALA 94 CO 0.59 -1.41 0.00 -0.51 0.00 0.00 0.00 175.76 174.43 1vs6 s LEU 95 N 3.01 1.75 0.00 0.00 1.43 -1.09 -4.93 118.68 118.84 1vs6 s LEU 95 Ca 0.30 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 1vs6 s LEU 95 Cb -0.14 -0.83 0.00 0.00 0.03 0.00 0.00 46.19 45.26 1vs6 s LEU 95 CO 0.16 -0.28 0.08 0.00 0.23 0.00 0.00 176.35 176.54 1vs6 n ILE 96 N 4.90 0.00 -2.38 -0.59 0.00 -1.26 -1.79 119.36 118.24 1vs6 n ILE 96 Ca -0.10 0.36 -0.04 0.00 0.00 0.00 0.00 62.75 62.98 1vs6 n ILE 96 Cb 0.46 -0.92 0.04 0.00 0.00 0.00 0.00 39.64 39.21 1vs6 n ILE 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1vs6 n GLN 97 N -1.25 0.73 0.00 9.51 6.02 -1.26 -2.74 117.38 128.39 1vs6 n GLN 97 Ca 0.00 -1.24 0.00 0.00 -0.01 0.00 0.00 57.00 55.75 1vs6 n GLN 97 Cb 0.00 0.36 0.00 0.00 1.02 0.00 0.00 30.24 31.62 1vs6 n GLN 97 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1vs6 n PRO 98 N -0.76 0.00 0.00 -1.09 -0.04 -1.26 -3.55 135.00 128.30 1vs6 n PRO 98 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1vs6 n PRO 98 Cb 0.81 -0.38 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 1vs6 n PRO 98 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vs6 n GLY 99 N 0.53 2.71 2.87 0.55 0.00 -1.26 -2.85 105.19 107.74 1vs6 n GLY 99 Ca 0.00 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 1vs6 n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vs6 s LYS 100 N -2.83 0.39 -0.28 1.61 0.00 -1.20 -4.70 119.74 112.73 1vs6 s LYS 100 Ca 0.00 0.10 -0.21 0.00 0.00 0.00 0.00 55.97 55.86 1vs6 s LYS 100 Cb 0.00 -0.41 0.09 0.00 0.00 0.00 0.00 37.83 37.51 1vs6 s LYS 100 CO 0.00 -1.00 0.79 0.14 0.00 0.00 0.00 175.35 175.28 1vs6 s VAL 101 N 2.50 0.00 -0.05 1.79 -7.23 -1.26 -3.27 120.40 112.88 1vs6 s VAL 101 Ca 0.10 0.00 0.01 0.00 -1.81 0.00 0.00 61.98 60.28 1vs6 s VAL 101 Cb -0.13 -1.00 0.02 0.00 0.56 0.00 0.00 36.38 35.83 1vs6 s VAL 101 CO -0.30 0.00 -0.05 -0.76 -0.31 0.00 0.00 175.10 173.68 1vs6 s LEU 102 N 0.85 1.36 -0.61 1.32 1.02 0.20 -3.28 118.68 119.54 1vs6 s LEU 102 Ca -0.04 -0.14 0.05 0.00 0.02 0.00 0.00 54.13 54.02 1vs6 s LEU 102 Cb -0.05 -0.48 0.30 0.00 0.02 0.00 0.00 46.19 45.99 1vs6 s LEU 102 CO -0.09 -0.05 0.88 0.00 0.02 0.00 0.00 176.35 177.12 1vs6 n TYR 103 N 4.02 3.90 -1.52 0.29 9.36 -1.25 0.64 117.16 132.59 1vs6 n TYR 103 Ca -0.25 -4.05 -0.24 0.00 3.32 0.00 0.00 57.90 56.68 1vs6 n TYR 103 Cb 0.51 -0.53 -0.15 0.00 -0.63 0.00 0.00 39.34 38.55 1vs6 n TYR 103 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1vs6 n GLU 104 N 0.19 0.28 0.00 2.98 4.71 -0.62 -4.58 120.64 123.61 1vs6 n GLU 104 Ca 0.31 -0.25 0.00 0.00 -0.01 0.00 0.00 57.16 57.21 1vs6 n GLU 104 Cb 0.40 -2.15 0.00 0.00 -1.01 0.00 0.00 31.44 28.68 1vs6 n GLU 104 CO 0.00 0.00 0.00 -0.12 0.09 0.00 0.00 177.13 177.10 1vs6 n MET 105 N 7.38 0.00 -2.18 3.49 0.00 -1.26 -1.37 117.12 123.18 1vs6 n MET 105 Ca 0.58 0.00 -0.42 0.00 -0.00 0.00 0.00 57.70 57.86 1vs6 n MET 105 Cb 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.44 1vs6 n MET 105 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 1vs6 s ASP 106 N 0.00 6.81 0.00 6.12 1.47 -1.26 -4.88 116.67 124.94 1vs6 s ASP 106 Ca 0.00 2.19 0.00 0.00 1.18 0.00 0.00 52.55 55.92 1vs6 s ASP 106 Cb 0.00 -2.56 0.00 0.00 -0.34 0.00 0.00 42.92 40.02 1vs6 s ASP 106 CO 0.00 -0.73 0.00 0.61 0.68 0.00 0.00 175.17 175.73 1vs6 n GLY 107 N 3.67 -0.81 0.76 2.12 0.00 -1.26 -5.03 105.19 104.64 1vs6 n GLY 107 Ca 0.13 -0.27 0.03 0.00 0.00 0.00 0.00 46.02 45.91 1vs6 n GLY 107 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1vs6 n VAL 108 N 0.94 2.30 -0.01 1.61 0.24 -1.26 -4.94 118.33 117.21 1vs6 n VAL 108 Ca 0.00 -2.80 0.01 0.00 -2.04 0.00 0.00 64.34 59.51 1vs6 n VAL 108 Cb 0.00 -0.27 0.02 0.00 -1.47 0.00 0.00 33.84 32.12 1vs6 n VAL 108 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1vs6 n PRO 109 N -1.11 -0.00 0.00 7.34 -0.02 -1.26 -2.78 135.00 137.17 1vs6 n PRO 109 Ca 0.24 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1vs6 n PRO 109 Cb 0.83 -0.05 0.00 0.00 -0.02 0.00 0.00 33.50 34.26 1vs6 n PRO 109 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1vs6 n GLU 110 N -2.17 0.00 0.00 -0.52 1.02 -1.26 0.14 120.64 117.85 1vs6 n GLU 110 Ca 0.01 0.82 0.01 0.00 -0.02 0.00 0.00 57.16 57.98 1vs6 n GLU 110 Cb 0.04 -1.47 0.05 0.00 -0.02 0.00 0.00 31.44 30.04 1vs6 n GLU 110 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1vs6 n GLU 111 N -2.58 0.00 -0.08 3.49 1.02 -1.12 -0.67 120.64 120.71 1vs6 n GLU 111 Ca 0.00 0.45 -0.10 0.00 -0.02 0.00 0.00 57.16 57.48 1vs6 n GLU 111 Cb 0.00 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.86 1vs6 n GLU 111 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1vs6 h LEU 112 N 0.00 0.00 -0.22 -4.62 4.07 -0.50 -3.30 115.31 110.74 1vs6 h LEU 112 Ca 0.00 -0.30 -0.13 0.00 0.08 0.00 0.00 57.88 57.53 1vs6 h LEU 112 Cb 0.03 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.77 1vs6 h LEU 112 CO 0.00 0.97 -0.37 0.00 -1.08 0.00 0.00 178.44 177.96 1vs6 h ALA 113 N -0.70 0.35 -0.00 1.53 0.00 0.16 -2.78 119.26 117.81 1vs6 h ALA 113 Ca -0.11 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1vs6 h ALA 113 Cb 0.73 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1vs6 h ALA 113 CO -0.06 0.42 0.11 0.00 0.00 0.00 0.00 179.25 179.72 1vs6 h ARG 114 N 0.34 0.00 0.00 0.00 2.47 -1.07 0.67 114.38 116.80 1vs6 h ARG 114 Ca 0.02 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1vs6 h ARG 114 Cb 0.96 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.28 1vs6 h ARG 114 CO 0.08 0.00 -0.02 1.49 0.56 0.00 0.00 179.97 182.08 1vs6 h GLU 115 N 0.00 0.00 -0.08 0.04 4.57 -1.57 -2.92 114.58 114.62 1vs6 h GLU 115 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1vs6 h GLU 115 Cb 0.23 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1vs6 h GLU 115 CO -0.00 0.02 0.00 0.00 -1.18 0.00 0.00 179.01 177.85 1vs6 n ALA 116 N -2.10 2.34 -0.00 2.92 0.00 0.22 -4.62 120.51 119.26 1vs6 n ALA 116 Ca 0.02 -0.75 -0.18 0.00 0.00 0.00 0.00 53.44 52.52 1vs6 n ALA 116 Cb 0.38 -0.23 -0.09 0.00 0.00 0.00 0.00 19.45 19.51 1vs6 n ALA 116 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1vs6 h PHE 117 N 1.24 0.92 -1.02 0.00 -5.15 -0.84 -3.18 116.94 108.90 1vs6 h PHE 117 Ca 0.00 -0.44 0.30 0.00 -0.20 0.00 0.00 57.97 57.62 1vs6 h PHE 117 Cb 0.41 -0.13 -0.04 0.00 0.22 0.00 0.00 35.95 36.41 1vs6 h PHE 117 CO 0.05 1.26 0.77 -0.22 -2.00 0.00 0.00 178.31 178.18 1vs6 h LYS 118 N 0.31 0.00 -0.04 6.09 1.63 -1.82 0.33 116.57 123.07 1vs6 h LYS 118 Ca -0.07 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.74 1vs6 h LYS 118 Cb 1.41 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.03 1vs6 h LYS 118 CO 0.15 0.00 -0.05 -0.07 -3.45 0.00 0.00 179.45 176.03 1vs6 h LEU 119 N 0.00 -0.15 -9.92 5.20 -0.00 -1.88 -3.43 115.31 105.13 1vs6 h LEU 119 Ca 0.49 0.03 -0.51 0.00 -0.00 0.00 0.00 57.88 57.89 1vs6 h LEU 119 Cb 2.02 0.07 0.22 0.00 -0.00 0.00 0.00 40.66 42.97 1vs6 h LEU 119 CO -0.01 -0.07 -0.41 0.00 -0.00 0.00 0.00 178.44 177.95 1vs6 n ALA 120 N -2.26 -2.49 -1.38 1.53 0.00 0.12 -4.92 120.51 111.11 1vs6 n ALA 120 Ca -0.06 -0.78 -0.19 0.00 0.00 0.00 0.00 53.44 52.41 1vs6 n ALA 120 Cb 0.10 -1.87 0.16 0.00 0.00 0.00 0.00 19.45 17.84 1vs6 n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs6 n ALA 121 N -4.06 5.28 -3.55 0.00 0.00 -1.26 -4.96 120.51 111.96 1vs6 n ALA 121 Ca 0.06 -3.14 -0.17 0.00 0.00 0.00 0.00 53.44 50.19 1vs6 n ALA 121 Cb 0.55 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 1vs6 n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs6 s ALA 122 N -3.40 -1.75 0.04 0.00 0.00 -1.26 -4.98 121.76 110.41 1vs6 s ALA 122 Ca 0.54 1.53 -0.30 0.00 0.00 0.00 0.00 51.96 53.72 1vs6 s ALA 122 Cb 0.46 -0.38 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 1vs6 s ALA 122 CO 0.05 -0.36 1.26 0.21 0.00 0.00 0.00 175.76 176.92 1vs6 s LYS 123 N -0.68 4.37 -0.16 0.00 2.20 -1.26 -5.00 119.74 119.21 1vs6 s LYS 123 Ca -0.07 1.83 -0.04 0.00 -0.36 0.00 0.00 55.97 57.33 1vs6 s LYS 123 Cb -0.02 -3.41 0.08 0.00 -1.51 0.00 0.00 37.83 32.97 1vs6 s LYS 123 CO 0.07 -0.38 0.27 -0.48 -0.36 0.00 0.00 175.35 174.47 1vs6 s LEU 124 N 1.53 -0.29 0.00 5.43 2.34 -1.25 -4.52 118.68 121.92 1vs6 s LEU 124 Ca 0.60 0.34 0.00 0.00 0.06 0.00 0.00 54.13 55.13 1vs6 s LEU 124 Cb -0.30 0.67 0.00 0.00 -0.56 0.00 0.00 46.19 46.00 1vs6 s LEU 124 CO 0.27 -0.27 0.00 -2.65 -1.06 0.00 0.00 176.35 172.64 1vs6 n PRO 125 N 5.34 -0.92 0.00 1.48 -0.02 -1.17 -4.80 135.00 134.91 1vs6 n PRO 125 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1vs6 n PRO 125 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 1vs6 n PRO 125 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1vs6 n ILE 126 N -2.28 0.00 -1.40 4.25 -5.35 -1.26 -3.31 119.36 110.00 1vs6 n ILE 126 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1vs6 n ILE 126 Cb 0.00 -0.56 0.00 0.00 -1.74 0.00 0.00 39.64 37.34 1vs6 n ILE 126 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1vs6 n LYS 127 N -0.73 -3.93 -3.72 6.28 4.76 -1.26 -3.11 118.16 116.45 1vs6 n LYS 127 Ca 0.00 2.84 -0.14 0.00 -2.87 0.00 0.00 58.31 58.14 1vs6 n LYS 127 Cb 0.00 -3.13 -0.14 0.00 -1.84 0.00 0.00 35.03 29.92 1vs6 n LYS 127 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1vs6 s THR 128 N -1.77 -0.13 -0.50 -0.18 -4.23 -1.26 -3.22 115.64 104.34 1vs6 s THR 128 Ca 0.00 0.22 -0.10 0.00 -1.18 0.00 0.00 61.69 60.63 1vs6 s THR 128 Cb 0.00 -0.32 0.13 0.00 1.34 0.00 0.00 72.50 73.65 1vs6 s THR 128 CO 0.00 0.09 0.38 -0.89 -0.54 0.00 0.00 174.62 173.66 1vs6 s THR 129 N 1.57 4.33 0.48 3.99 2.01 -1.23 -4.96 115.64 121.84 1vs6 s THR 129 Ca -0.06 -1.85 0.39 0.00 0.31 0.00 0.00 61.69 60.48 1vs6 s THR 129 Cb -0.11 -3.84 0.59 0.00 0.01 0.00 0.00 72.50 69.15 1vs6 s THR 129 CO -0.07 -0.80 1.53 2.22 -0.69 0.00 0.00 174.62 176.81 1vs6 n PHE 130 N 4.82 0.41 0.00 4.92 -1.74 -1.26 -4.50 117.46 120.12 1vs6 n PHE 130 Ca -0.07 0.42 0.00 0.00 -0.56 0.00 0.00 57.45 57.24 1vs6 n PHE 130 Cb 0.41 -0.87 0.00 0.00 1.52 0.00 0.00 39.48 40.53 1vs6 n PHE 130 CO 0.00 0.00 0.00 1.33 -0.56 0.00 0.00 176.76 177.53 1vs6 n VAL 131 N -4.36 0.00 -0.75 1.97 0.24 -1.26 -4.70 118.33 109.47 1vs6 n VAL 131 Ca 0.41 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.71 1vs6 n VAL 131 Cb 1.72 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 34.09 1vs6 n VAL 131 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1vs6 n THR 132 N -1.36 0.00 0.48 3.34 5.66 -1.26 -4.79 114.28 116.35 1vs6 n THR 132 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1vs6 n THR 132 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1vs6 n THR 132 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1vs6 n LYS 133 N 0.00 0.48 0.21 1.09 0.00 -1.26 -3.54 118.16 115.15 1vs6 n LYS 133 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 58.31 58.40 1vs6 n LYS 133 Cb 0.10 -1.25 0.44 0.00 0.00 0.00 0.00 35.03 34.32 1vs6 n LYS 133 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1vs6 h THR 134 N 0.38 0.67 -3.12 3.15 1.35 -2.00 -3.46 112.91 109.89 1vs6 h THR 134 Ca 0.00 -1.21 -0.03 0.00 -0.55 0.00 0.00 66.41 64.62 1vs6 h THR 134 Cb 0.41 1.78 -0.01 0.00 -1.73 0.00 0.00 68.15 68.60 1vs6 h THR 134 CO 0.00 0.26 0.22 0.68 -0.25 0.00 0.00 175.52 176.43 1vs6 s VAL 135 N -3.69 0.00 -2.00 6.82 -7.23 -1.23 -5.17 120.40 107.90 1vs6 s VAL 135 Ca 0.00 -1.06 0.11 0.00 -1.81 0.00 0.00 61.98 59.22 1vs6 s VAL 135 Cb 0.11 -2.75 0.31 0.00 0.56 0.00 0.00 36.38 34.61 1vs6 s VAL 135 CO 0.65 0.00 1.09 0.23 -0.31 0.00 0.00 175.10 176.76