#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs6 s GLN 2 N 0.00 0.38 0.34 3.17 2.00 -1.26 -0.22 119.66 124.08 1vs6 s GLN 2 Ca 0.00 0.90 0.01 0.00 -2.00 0.00 0.00 55.36 54.27 1vs6 s GLN 2 Cb 0.00 0.13 -0.01 0.00 0.80 0.00 0.00 33.01 33.93 1vs6 s GLN 2 CO 0.00 -0.42 0.41 0.14 -0.50 0.00 0.00 175.29 174.91 1vs6 s VAL 3 N 2.65 0.00 -0.43 1.34 -7.23 -1.26 -3.09 120.40 112.37 1vs6 s VAL 3 Ca 0.06 -1.74 0.05 0.00 -1.81 0.00 0.00 61.98 58.53 1vs6 s VAL 3 Cb -0.14 -2.60 0.17 0.00 0.56 0.00 0.00 36.38 34.37 1vs6 s VAL 3 CO -0.15 0.00 0.45 -0.63 -0.31 0.00 0.00 175.10 174.45 1vs6 s ILE 4 N -3.15 -0.14 0.01 -0.62 1.01 -0.89 -4.12 121.20 113.30 1vs6 s ILE 4 Ca 0.34 -1.91 -0.18 0.00 0.00 0.00 0.00 60.65 58.90 1vs6 s ILE 4 Cb 0.01 -0.82 -0.10 0.00 0.01 0.00 0.00 42.46 41.56 1vs6 s ILE 4 CO 0.23 -0.80 0.99 -0.07 0.00 0.00 0.00 174.94 175.30 1vs6 h LEU 5 N 5.74 -0.54 0.00 2.97 -0.00 -1.85 -3.40 115.31 118.22 1vs6 h LEU 5 Ca 0.17 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 1vs6 h LEU 5 Cb 0.99 0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.79 1vs6 h LEU 5 CO 0.24 -0.30 0.00 -0.11 -0.00 0.00 0.00 178.44 178.27 1vs6 n LEU 6 N -4.22 0.00 -2.97 1.67 7.94 -1.26 -4.62 117.00 113.54 1vs6 n LEU 6 Ca -0.08 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.51 1vs6 n LEU 6 Cb 0.25 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.19 1vs6 n LEU 6 CO 0.19 0.00 0.53 0.47 -1.11 0.00 0.00 177.39 177.48 1vs6 n ASP 7 N 0.34 5.38 -0.87 1.96 9.92 -1.26 -3.32 116.55 128.69 1vs6 n ASP 7 Ca 0.00 -3.71 -0.10 0.00 -0.53 0.00 0.00 54.79 50.45 1vs6 n ASP 7 Cb 0.00 -0.70 -0.01 0.00 -0.64 0.00 0.00 41.12 39.77 1vs6 n ASP 7 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1vs6 n LYS 8 N -0.29 0.00 -3.25 -1.24 -0.00 -1.26 -4.96 118.16 107.16 1vs6 n LYS 8 Ca 0.38 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.47 1vs6 n LYS 8 Cb 0.41 -0.24 -0.08 0.00 -0.00 0.00 0.00 35.03 35.13 1vs6 n LYS 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1vs6 n VAL 9 N 0.12 -0.96 -0.14 0.58 0.31 -1.26 -4.90 118.33 112.08 1vs6 n VAL 9 Ca 0.04 -2.99 0.00 0.00 -0.01 0.00 0.00 64.34 61.37 1vs6 n VAL 9 Cb 0.04 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 1vs6 n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vs6 n ALA 10 N 2.75 0.00 -1.77 3.52 0.00 -1.26 -4.92 120.51 118.83 1vs6 n ALA 10 Ca 0.27 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.38 1vs6 n ALA 10 Cb 0.50 -0.58 -0.03 0.00 0.00 0.00 0.00 19.45 19.34 1vs6 n ALA 10 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1vs6 s ASN 11 N -2.13 6.33 0.00 0.00 3.04 -1.26 -4.88 114.94 116.04 1vs6 s ASN 11 Ca 0.00 1.81 -0.01 0.00 0.04 0.00 0.00 52.86 54.70 1vs6 s ASN 11 Cb 0.00 -2.54 -0.03 0.00 -1.54 0.00 0.00 41.25 37.14 1vs6 s ASN 11 CO 0.00 -0.79 1.30 0.18 -3.04 0.00 0.00 177.10 174.75 1vs6 n LEU 12 N -1.28 2.83 -3.58 3.21 4.32 -1.26 -4.68 117.00 116.56 1vs6 n LEU 12 Ca 0.08 -1.42 -0.14 0.00 -0.02 0.00 0.00 56.01 54.51 1vs6 n LEU 12 Cb 0.53 -0.63 -0.06 0.00 -1.62 0.00 0.00 43.42 41.63 1vs6 n LEU 12 CO 0.42 0.57 0.53 -0.83 -1.22 0.00 0.00 177.39 176.86 1vs6 s GLY 13 N 2.10 -0.46 0.09 -0.72 0.00 -1.26 -5.00 107.32 102.06 1vs6 s GLY 13 Ca 0.08 1.82 0.01 0.00 0.00 0.00 0.00 44.72 46.62 1vs6 s GLY 13 CO 0.00 1.31 -0.05 -0.56 0.00 0.00 0.00 173.10 173.80 1vs6 s SER 14 N -0.54 0.95 -0.92 1.64 0.01 -1.26 -4.36 113.70 109.21 1vs6 s SER 14 Ca -0.04 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.21 1vs6 s SER 14 Cb -0.02 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.34 1vs6 s SER 14 CO 0.04 -0.51 0.00 0.18 0.41 0.00 0.00 173.24 173.36 1vs6 n LEU 15 N -0.00 -0.17 -1.16 2.44 4.77 -1.21 -4.04 117.00 117.62 1vs6 n LEU 15 Ca -0.13 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1vs6 n LEU 15 Cb 0.61 -2.41 0.00 0.00 -2.33 0.00 0.00 43.42 39.29 1vs6 n LEU 15 CO 0.30 -0.92 0.00 0.61 -1.33 0.00 0.00 177.39 176.05 1vs6 n GLY 16 N 0.30 -2.49 3.68 -0.72 0.00 -1.26 -4.12 105.19 100.57 1vs6 n GLY 16 Ca -0.09 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 1vs6 n GLY 16 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1vs6 s ASP 17 N 0.00 6.57 0.00 1.61 -4.77 -1.26 -4.75 116.67 114.08 1vs6 s ASP 17 Ca 0.00 2.49 0.27 0.00 -3.30 0.00 0.00 52.55 52.01 1vs6 s ASP 17 Cb 0.00 -2.55 0.87 0.00 -1.09 0.00 0.00 42.92 40.15 1vs6 s ASP 17 CO 0.00 -0.94 1.64 0.00 0.70 0.00 0.00 175.17 176.57 1vs6 n GLN 18 N 6.29 1.48 -4.34 2.11 10.64 -1.26 -4.28 117.38 128.02 1vs6 n GLN 18 Ca 0.17 -0.92 -0.23 0.00 -1.83 0.00 0.00 57.00 54.19 1vs6 n GLN 18 Cb 0.41 -1.48 -0.08 0.00 -0.86 0.00 0.00 30.24 28.23 1vs6 n GLN 18 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1vs6 s VAL 19 N -2.15 3.11 -0.05 -0.39 1.01 -1.26 -5.00 120.40 115.67 1vs6 s VAL 19 Ca 0.33 -2.05 -0.05 0.00 0.00 0.00 0.00 61.98 60.21 1vs6 s VAL 19 Cb 0.20 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 1vs6 s VAL 19 CO 0.39 -0.37 0.16 -3.20 0.00 0.00 0.00 175.10 172.08 1vs6 n ASN 20 N -0.83 0.11 -2.04 3.32 5.15 -1.26 -4.79 115.26 114.93 1vs6 n ASN 20 Ca -0.06 0.12 -0.02 0.00 -0.60 0.00 0.00 54.58 54.03 1vs6 n ASN 20 Cb 0.60 -0.09 -0.00 0.00 -0.53 0.00 0.00 39.78 39.75 1vs6 n ASN 20 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1vs6 n VAL 21 N 0.39 0.00 -1.73 3.44 3.14 0.70 -4.95 118.33 119.31 1vs6 n VAL 21 Ca 0.03 -0.12 -0.31 0.00 -2.96 0.00 0.00 64.34 60.98 1vs6 n VAL 21 Cb -0.00 0.03 0.03 0.00 -1.06 0.00 0.00 33.84 32.83 1vs6 n VAL 21 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1vs6 s LYS 22 N -2.09 3.27 0.10 1.45 -0.14 -1.26 -4.31 119.74 116.76 1vs6 s LYS 22 Ca 0.00 0.86 0.05 0.00 -1.36 0.00 0.00 55.97 55.52 1vs6 s LYS 22 Cb 0.00 -2.04 -0.03 0.00 -1.68 0.00 0.00 37.83 34.08 1vs6 s LYS 22 CO 0.00 -0.83 -0.13 0.00 -0.76 0.00 0.00 175.35 173.63 1vs6 s ALA 23 N -3.09 1.25 0.00 5.17 0.00 -1.26 -3.97 121.76 119.86 1vs6 s ALA 23 Ca 0.57 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1vs6 s ALA 23 Cb -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1vs6 s ALA 23 CO 0.54 0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.78 1vs6 n GLY 24 N 0.79 2.20 0.10 0.00 0.00 -1.26 -4.70 105.19 102.31 1vs6 n GLY 24 Ca -0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 1vs6 n GLY 24 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1vs6 h TYR 25 N 0.00 0.01 0.00 1.61 3.20 -1.99 -3.30 116.97 116.50 1vs6 h TYR 25 Ca 0.00 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.71 1vs6 h TYR 25 Cb 0.00 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 1vs6 h TYR 25 CO 0.00 0.82 -1.41 0.00 -1.64 0.00 0.00 178.16 175.94 1vs6 n ALA 26 N -2.39 2.01 -0.37 1.82 0.00 -1.26 -3.92 120.51 116.40 1vs6 n ALA 26 Ca -0.01 -0.52 0.30 0.00 0.00 0.00 0.00 53.44 53.21 1vs6 n ALA 26 Cb 0.79 -0.95 0.61 0.00 0.00 0.00 0.00 19.45 19.89 1vs6 n ALA 26 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1vs6 h ARG 27 N 0.00 0.21 -1.64 0.00 2.43 -1.95 -2.67 114.38 110.75 1vs6 h ARG 27 Ca -0.15 -0.01 -0.48 0.00 -0.81 0.00 0.00 59.98 58.52 1vs6 h ARG 27 Cb 1.52 -0.05 -0.35 0.00 -0.42 0.00 0.00 29.97 30.68 1vs6 h ARG 27 CO 0.04 0.14 -1.02 0.27 -1.51 0.00 0.00 179.97 177.89 1vs6 n ASN 28 N -4.54 -0.20 0.00 -3.80 6.94 -1.26 -4.73 115.26 107.67 1vs6 n ASN 28 Ca 0.30 -2.89 0.00 0.00 -0.02 0.00 0.00 54.58 51.96 1vs6 n ASN 28 Cb 1.15 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 38.38 1vs6 n ASN 28 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 1vs6 n PHE 29 N 1.13 0.00 0.00 -2.53 7.35 -1.20 -4.98 117.46 117.23 1vs6 n PHE 29 Ca 0.20 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.89 1vs6 n PHE 29 Cb 0.58 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.41 1vs6 n PHE 29 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1vs6 n LEU 30 N 0.00 0.00 0.17 -2.13 7.99 -1.25 -2.99 117.00 118.79 1vs6 n LEU 30 Ca 0.00 0.99 -0.15 0.00 -0.01 0.00 0.00 56.01 56.84 1vs6 n LEU 30 Cb 0.00 -0.49 -0.08 0.00 -0.11 0.00 0.00 43.42 42.74 1vs6 n LEU 30 CO 0.00 -0.49 0.60 0.58 -1.51 0.00 0.00 177.39 176.56 1vs6 h VAL 31 N 0.00 0.18 -2.78 4.08 2.07 -1.57 1.44 116.25 119.67 1vs6 h VAL 31 Ca 0.00 0.00 -0.56 0.00 0.82 0.00 0.00 66.70 66.96 1vs6 h VAL 31 Cb 0.00 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 29.93 1vs6 h VAL 31 CO 0.00 0.00 1.00 -2.16 0.02 0.00 0.00 177.57 176.43 1vs6 s PRO 32 N -5.94 4.17 0.00 1.57 0.04 -1.19 -3.32 135.00 130.32 1vs6 s PRO 32 Ca -0.17 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1vs6 s PRO 32 Cb 0.07 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.72 1vs6 s PRO 32 CO 0.63 -0.82 0.00 0.94 0.04 0.00 0.00 177.00 177.79 1vs6 n GLN 33 N 6.93 0.00 0.00 4.56 7.27 -1.26 -4.43 117.38 130.45 1vs6 n GLN 33 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.23 1vs6 n GLN 33 Cb 0.44 -0.75 0.00 0.00 2.41 0.00 0.00 30.24 32.34 1vs6 n GLN 33 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1vs6 n GLY 34 N 0.00 -0.20 3.03 1.69 0.00 -1.03 -4.94 105.19 103.74 1vs6 n GLY 34 Ca 0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1vs6 n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vs6 s LYS 35 N 0.00 1.69 0.55 1.61 3.01 0.49 -4.93 119.74 122.16 1vs6 s LYS 35 Ca 0.00 -1.71 -0.19 0.00 -1.01 0.00 0.00 55.97 53.06 1vs6 s LYS 35 Cb 0.00 -3.10 -0.09 0.00 -1.01 0.00 0.00 37.83 33.63 1vs6 s LYS 35 CO 0.00 -0.83 0.58 0.00 0.51 0.00 0.00 175.35 175.60 1vs6 n ALA 36 N 4.31 -1.03 0.00 5.17 0.00 -1.21 -3.80 120.51 123.95 1vs6 n ALA 36 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1vs6 n ALA 36 Cb 0.42 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.02 1vs6 n ALA 36 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1vs6 n VAL 37 N -1.56 0.00 0.00 0.00 0.24 -1.26 -4.60 118.33 111.14 1vs6 n VAL 37 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 1vs6 n VAL 37 Cb 0.46 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 1vs6 n VAL 37 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1vs6 n PRO 38 N -0.69 0.00 -0.85 7.34 -0.01 -1.26 -2.10 135.00 137.43 1vs6 n PRO 38 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 63.50 63.33 1vs6 n PRO 38 Cb 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 33.50 33.39 1vs6 n PRO 38 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1vs6 n ALA 39 N 0.00 5.46 -3.35 3.55 0.00 -1.18 -4.47 120.51 120.53 1vs6 n ALA 39 Ca 0.00 -1.82 -0.37 0.00 0.00 0.00 0.00 53.44 51.26 1vs6 n ALA 39 Cb 0.00 -2.57 -0.13 0.00 0.00 0.00 0.00 19.45 16.75 1vs6 n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1vs6 s THR 40 N 1.85 3.57 0.00 0.00 -4.23 -1.26 -4.81 115.64 110.75 1vs6 s THR 40 Ca 0.53 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 1vs6 s THR 40 Cb 0.22 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1vs6 s THR 40 CO -0.01 -0.06 0.00 0.29 -0.54 0.00 0.00 174.62 174.29 1vs6 n LYS 41 N 4.77 0.00 -0.01 3.99 4.01 -1.26 -1.82 118.16 127.84 1vs6 n LYS 41 Ca -0.14 0.00 -0.00 0.00 -0.51 0.00 0.00 58.31 57.66 1vs6 n LYS 41 Cb 0.45 0.00 -0.00 0.00 -0.51 0.00 0.00 35.03 34.97 1vs6 n LYS 41 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1vs6 n LYS 42 N 0.00 -0.01 -0.27 1.97 4.76 -1.26 -0.01 118.16 123.34 1vs6 n LYS 42 Ca 0.00 0.60 0.02 0.00 -2.87 0.00 0.00 58.31 56.06 1vs6 n LYS 42 Cb 0.00 -0.90 0.15 0.00 -1.84 0.00 0.00 35.03 32.44 1vs6 n LYS 42 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 1vs6 h ASN 43 N 0.00 0.58 0.00 4.39 2.35 -1.59 -3.04 115.58 118.26 1vs6 h ASN 43 Ca 0.00 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1vs6 h ASN 43 Cb 0.01 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1vs6 h ASN 43 CO -0.02 0.33 0.00 -0.38 -1.65 0.00 0.00 177.43 175.71 1vs6 n ILE 44 N -4.79 0.00 -0.55 2.81 5.41 0.99 -2.26 119.36 120.96 1vs6 n ILE 44 Ca 0.12 0.95 0.45 0.00 1.00 0.00 0.00 62.75 65.27 1vs6 n ILE 44 Cb 0.26 -1.67 0.77 0.00 -0.71 0.00 0.00 39.64 38.30 1vs6 n ILE 44 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1vs6 h GLU 45 N 0.00 0.02 0.00 0.38 4.39 -1.52 0.35 114.58 118.20 1vs6 h GLU 45 Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1vs6 h GLU 45 Cb 0.00 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1vs6 h GLU 45 CO 0.00 0.01 0.02 1.19 -1.16 0.00 0.00 179.01 179.07 1vs6 n PHE 46 N -4.14 0.19 0.17 4.33 3.01 -0.96 -0.46 117.46 119.61 1vs6 n PHE 46 Ca 0.37 0.10 0.10 0.00 1.01 0.00 0.00 57.45 59.03 1vs6 n PHE 46 Cb 1.68 -0.64 0.09 0.00 -0.01 0.00 0.00 39.48 40.60 1vs6 n PHE 46 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1vs6 h PHE 47 N 0.00 0.00 0.14 1.38 -5.15 -0.33 -3.35 116.94 109.63 1vs6 h PHE 47 Ca 0.00 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.78 1vs6 h PHE 47 Cb 0.04 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.19 1vs6 h PHE 47 CO 0.00 0.12 -0.19 0.93 -2.00 0.00 0.00 178.31 177.17 1vs6 h GLU 48 N 0.00 -0.37 0.00 6.09 4.39 -0.94 0.34 114.58 124.09 1vs6 h GLU 48 Ca -0.01 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1vs6 h GLU 48 Cb 1.10 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1vs6 h GLU 48 CO 0.01 -0.24 0.00 0.00 -1.16 0.00 0.00 179.01 177.62 1vs6 n ALA 49 N -2.46 1.70 -0.01 3.43 0.00 -1.25 0.13 120.51 122.05 1vs6 n ALA 49 Ca -0.07 -0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.35 1vs6 n ALA 49 Cb 0.23 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 1vs6 n ALA 49 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1vs6 n ARG 50 N -0.89 1.23 0.00 0.00 0.63 0.10 -4.78 116.66 112.95 1vs6 n ARG 50 Ca 0.03 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1vs6 n ARG 50 Cb 0.02 -1.09 0.00 0.00 0.45 0.00 0.00 32.46 31.84 1vs6 n ARG 50 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1vs6 n ARG 51 N -1.79 0.00 0.00 -0.14 1.74 0.97 -4.72 116.66 112.72 1vs6 n ARG 51 Ca -0.02 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.07 1vs6 n ARG 51 Cb 0.27 -0.63 0.07 0.00 -1.02 0.00 0.00 32.46 31.14 1vs6 n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vs6 n ALA 52 N -2.32 1.34 -1.60 7.54 0.00 0.35 -1.27 120.51 124.55 1vs6 n ALA 52 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 53.44 53.25 1vs6 n ALA 52 Cb 0.29 -1.04 0.12 0.00 0.00 0.00 0.00 19.45 18.82 1vs6 n ALA 52 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vs6 n GLU 53 N -1.27 2.57 0.00 0.00 1.02 -1.15 -4.37 120.64 117.43 1vs6 n GLU 53 Ca 0.01 -3.51 0.00 0.00 -0.02 0.00 0.00 57.16 53.64 1vs6 n GLU 53 Cb 0.02 -2.07 0.00 0.00 -0.02 0.00 0.00 31.44 29.37 1vs6 n GLU 53 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1vs6 n LEU 54 N -0.96 0.00 0.06 -4.62 7.99 -0.40 -4.73 117.00 114.34 1vs6 n LEU 54 Ca 0.44 0.00 0.12 0.00 -0.01 0.00 0.00 56.01 56.55 1vs6 n LEU 54 Cb 0.96 0.00 0.11 0.00 -0.11 0.00 0.00 43.42 44.38 1vs6 n LEU 54 CO 0.39 0.00 0.21 -1.84 -1.51 0.00 0.00 177.39 174.65 1vs6 n GLU 55 N -1.36 0.33 0.00 3.23 0.00 -1.25 -3.73 120.64 117.86 1vs6 n GLU 55 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 57.16 57.25 1vs6 n GLU 55 Cb 0.26 -1.68 0.11 0.00 0.00 0.00 0.00 31.44 30.13 1vs6 n GLU 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1vs6 n ALA 56 N -1.87 1.40 0.19 -1.84 0.00 -1.26 -1.78 120.51 115.35 1vs6 n ALA 56 Ca 0.02 -0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.48 1vs6 n ALA 56 Cb 0.45 -1.07 0.37 0.00 0.00 0.00 0.00 19.45 19.20 1vs6 n ALA 56 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1vs6 h LYS 57 N 0.00 0.00 0.00 0.00 6.56 -1.91 0.65 116.57 121.86 1vs6 h LYS 57 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1vs6 h LYS 57 Cb 0.04 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.70 1vs6 h LYS 57 CO 0.00 0.38 0.00 1.28 -2.06 0.00 0.00 179.45 179.05 1vs6 n LEU 58 N -3.94 0.00 0.06 2.94 4.32 -0.73 0.11 117.00 119.75 1vs6 n LEU 58 Ca -0.02 0.22 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 1vs6 n LEU 58 Cb 0.43 -0.22 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 1vs6 n LEU 58 CO 0.38 -0.15 -0.11 0.00 -1.22 0.00 0.00 177.39 176.29 1vs6 n ALA 59 N -1.22 3.00 0.11 -1.18 0.00 -1.00 -4.72 120.51 115.49 1vs6 n ALA 59 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.44 1vs6 n ALA 59 Cb 0.07 0.18 -0.03 0.00 0.00 0.00 0.00 19.45 19.67 1vs6 n ALA 59 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1vs6 h GLU 60 N 0.00 -0.33 -0.34 0.00 4.22 -0.98 -2.91 114.58 114.24 1vs6 h GLU 60 Ca 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.45 1vs6 h GLU 60 Cb 0.21 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1vs6 h GLU 60 CO 0.00 -0.22 0.17 0.28 -2.18 0.00 0.00 179.01 177.06 1vs6 h VAL 61 N -0.92 1.16 -0.31 0.32 2.07 -1.61 -2.96 116.25 114.00 1vs6 h VAL 61 Ca -0.04 -0.44 0.06 0.00 0.82 0.00 0.00 66.70 67.10 1vs6 h VAL 61 Cb 0.26 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 1vs6 h VAL 61 CO 0.06 0.16 -0.10 -0.07 0.02 0.00 0.00 177.57 177.65 1vs6 h LEU 62 N 0.42 -0.34 -1.91 2.57 3.38 0.56 0.15 115.31 120.13 1vs6 h LEU 62 Ca 0.12 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.20 1vs6 h LEU 62 Cb 0.11 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1vs6 h LEU 62 CO -0.02 -0.12 0.38 0.00 0.09 0.00 0.00 178.44 178.77 1vs6 h ALA 63 N 1.27 1.47 -0.59 1.53 0.00 -1.34 1.51 119.26 123.10 1vs6 h ALA 63 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1vs6 h ALA 63 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1vs6 h ALA 63 CO -0.33 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 178.51 1vs6 n ALA 64 N -1.93 3.06 -1.40 0.00 0.00 0.50 -4.34 120.51 116.40 1vs6 n ALA 64 Ca -0.01 -1.43 -0.00 0.00 0.00 0.00 0.00 53.44 52.00 1vs6 n ALA 64 Cb 0.44 -1.03 -0.00 0.00 0.00 0.00 0.00 19.45 18.86 1vs6 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs6 n ALA 65 N 1.01 0.61 -0.04 0.00 0.00 0.22 -4.98 120.51 117.32 1vs6 n ALA 65 Ca 0.23 -0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.58 1vs6 n ALA 65 Cb 0.83 -0.05 -0.06 0.00 0.00 0.00 0.00 19.45 20.16 1vs6 n ALA 65 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1vs6 n ASN 66 N 0.00 2.96 -0.18 0.00 5.15 0.46 -4.55 115.26 119.10 1vs6 n ASN 66 Ca -0.02 -0.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 1vs6 n ASN 66 Cb 0.21 0.55 0.00 0.00 -0.53 0.00 0.00 39.78 40.01 1vs6 n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1vs6 n ALA 67 N -2.40 1.75 -0.10 5.20 0.00 -1.26 -4.25 120.51 119.44 1vs6 n ALA 67 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1vs6 n ALA 67 Cb 0.76 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1vs6 n ALA 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1vs6 n ARG 68 N -0.21 0.00 0.27 0.00 5.12 -1.26 0.17 116.66 120.75 1vs6 n ARG 68 Ca 0.00 0.87 0.13 0.00 -1.93 0.00 0.00 57.85 56.92 1vs6 n ARG 68 Cb 0.03 -1.45 0.68 0.00 -1.16 0.00 0.00 32.46 30.57 1vs6 n ARG 68 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1vs6 h ALA 69 N -1.24 1.25 0.06 7.54 0.00 -1.70 0.17 119.26 125.33 1vs6 h ALA 69 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 1vs6 h ALA 69 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1vs6 h ALA 69 CO 0.00 -0.25 -1.49 0.93 0.00 0.00 0.00 179.25 178.44 1vs6 h GLU 70 N 0.00 0.12 0.00 0.00 4.39 -0.91 -3.36 114.58 114.81 1vs6 h GLU 70 Ca 0.00 -0.20 -0.05 0.00 0.34 0.00 0.00 59.36 59.45 1vs6 h GLU 70 Cb 0.57 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1vs6 h GLU 70 CO 0.00 1.10 -0.26 0.87 -1.16 0.00 0.00 179.01 179.56 1vs6 h LYS 71 N -0.57 0.00 -3.09 2.33 1.57 0.32 -3.39 116.57 113.74 1vs6 h LYS 71 Ca -0.36 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.84 1vs6 h LYS 71 Cb 1.59 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.50 1vs6 h LYS 71 CO -0.08 0.26 -0.78 -1.50 -0.57 0.00 0.00 179.45 176.79 1vs6 s ILE 72 N -4.31 0.64 0.17 1.86 2.07 -0.11 -4.90 121.20 116.62 1vs6 s ILE 72 Ca -0.03 -1.56 0.00 0.00 -1.41 0.00 0.00 60.65 57.65 1vs6 s ILE 72 Cb 0.14 -1.48 0.00 0.00 0.13 0.00 0.00 42.46 41.25 1vs6 s ILE 72 CO 0.69 -0.79 0.00 -0.46 -1.91 0.00 0.00 174.94 172.46 1vs6 n ASN 73 N 4.52 -0.97 -0.34 4.50 2.04 -1.26 -4.22 115.26 119.54 1vs6 n ASN 73 Ca 0.02 0.31 0.00 0.00 -0.44 0.00 0.00 54.58 54.47 1vs6 n ASN 73 Cb 0.40 1.09 0.00 0.00 -2.53 0.00 0.00 39.78 38.73 1vs6 n ASN 73 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1vs6 n ALA 74 N -2.92 2.50 -1.35 -2.53 0.00 -1.26 -4.92 120.51 110.03 1vs6 n ALA 74 Ca 0.00 -0.01 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1vs6 n ALA 74 Cb 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.45 1vs6 n ALA 74 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1vs6 n LEU 75 N -0.16 -1.96 -4.74 0.00 0.00 -1.26 -4.82 117.00 104.06 1vs6 n LEU 75 Ca 0.00 0.88 -0.42 0.00 0.00 0.00 0.00 56.01 56.48 1vs6 n LEU 75 Cb 0.17 -0.95 -0.02 0.00 0.00 0.00 0.00 43.42 42.62 1vs6 n LEU 75 CO 0.00 -3.71 1.26 -0.62 0.00 0.00 0.00 177.39 174.33 1vs6 n GLU 76 N 1.11 2.72 -1.42 1.96 1.02 -1.26 -4.75 120.64 120.03 1vs6 n GLU 76 Ca 0.12 0.97 -0.48 0.00 -0.02 0.00 0.00 57.16 57.75 1vs6 n GLU 76 Cb 0.38 -2.76 -0.11 0.00 -0.02 0.00 0.00 31.44 28.92 1vs6 n GLU 76 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1vs6 n THR 77 N 2.41 0.03 -1.70 2.62 -1.04 -1.26 -4.77 114.28 110.57 1vs6 n THR 77 Ca 0.10 -0.14 -0.41 0.00 -2.04 0.00 0.00 64.05 61.56 1vs6 n THR 77 Cb 0.36 -1.00 -0.03 0.00 -1.82 0.00 0.00 70.33 67.85 1vs6 n THR 77 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1vs6 s VAL 78 N 8.07 3.12 -0.82 12.58 1.01 -1.26 -4.85 120.40 138.24 1vs6 s VAL 78 Ca 1.21 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 63.29 1vs6 s VAL 78 Cb -1.13 -3.20 0.35 0.00 0.00 0.00 0.00 36.38 32.41 1vs6 s VAL 78 CO 0.52 -0.16 1.82 0.41 0.00 0.00 0.00 175.10 177.69 1vs6 n THR 79 N 7.73 3.93 -3.06 3.92 -1.04 -1.26 -1.58 114.28 122.92 1vs6 n THR 79 Ca 0.30 -4.78 -0.45 0.00 -2.04 0.00 0.00 64.05 57.08 1vs6 n THR 79 Cb 0.49 -1.31 -0.03 0.00 -1.82 0.00 0.00 70.33 67.65 1vs6 n THR 79 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1vs6 s ILE 80 N -4.96 4.91 0.90 12.58 1.01 -1.17 -4.90 121.20 129.56 1vs6 s ILE 80 Ca 0.49 -1.50 -0.11 0.00 0.00 0.00 0.00 60.65 59.53 1vs6 s ILE 80 Cb 0.38 -4.62 0.13 0.00 0.01 0.00 0.00 42.46 38.35 1vs6 s ILE 80 CO -0.32 -1.29 1.13 0.00 0.00 0.00 0.00 174.94 174.45 1vs6 n ALA 81 N 6.04 -0.74 -2.37 9.38 0.00 -1.23 -4.21 120.51 127.38 1vs6 n ALA 81 Ca 0.10 -0.51 -0.19 0.00 0.00 0.00 0.00 53.44 52.84 1vs6 n ALA 81 Cb 0.46 -2.19 0.02 0.00 0.00 0.00 0.00 19.45 17.75 1vs6 n ALA 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vs6 n SER 82 N -3.91 3.83 -3.11 0.00 2.88 -1.26 -4.79 113.62 107.26 1vs6 n SER 82 Ca 0.12 -3.29 -0.06 0.00 -1.33 0.00 0.00 58.87 54.31 1vs6 n SER 82 Cb 0.52 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1vs6 n SER 82 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1vs6 n LYS 83 N -0.55 -1.61 -2.53 -1.46 4.76 -1.26 -0.36 118.16 115.15 1vs6 n LYS 83 Ca 0.32 1.56 -0.43 0.00 -2.87 0.00 0.00 58.31 56.89 1vs6 n LYS 83 Cb 0.84 -5.25 -0.02 0.00 -1.84 0.00 0.00 35.03 28.75 1vs6 n LYS 83 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vs6 s ALA 84 N -2.86 3.67 0.00 7.82 0.00 -1.22 -0.18 121.76 128.99 1vs6 s ALA 84 Ca 0.07 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1vs6 s ALA 84 Cb -0.02 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1vs6 s ALA 84 CO 0.77 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 175.82 1vs6 n GLY 85 N 3.49 2.05 4.11 0.00 0.00 0.27 -4.43 105.19 110.68 1vs6 n GLY 85 Ca 0.13 0.08 -0.46 0.00 0.00 0.00 0.00 46.02 45.76 1vs6 n GLY 85 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vs6 n ASP 86 N 0.00 -3.69 -1.63 1.61 8.00 -1.26 0.23 116.55 119.81 1vs6 n ASP 86 Ca 0.00 -1.31 -0.10 0.00 0.71 0.00 0.00 54.79 54.09 1vs6 n ASP 86 Cb 0.00 -1.57 -0.03 0.00 -0.02 0.00 0.00 41.12 39.50 1vs6 n ASP 86 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1vs6 n GLU 87 N -5.05 -1.56 0.00 -1.24 2.13 -1.26 -1.96 120.64 111.70 1vs6 n GLU 87 Ca -0.13 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.25 1vs6 n GLU 87 Cb 0.57 -4.85 0.00 0.00 0.27 0.00 0.00 31.44 27.42 1vs6 n GLU 87 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1vs6 n GLY 88 N -0.35 -0.15 0.00 8.31 0.00 0.14 -5.13 105.19 108.00 1vs6 n GLY 88 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1vs6 n GLY 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vs6 n LYS 89 N 0.00 3.95 -4.15 1.61 4.76 0.64 -4.90 118.16 120.06 1vs6 n LYS 89 Ca 0.00 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.27 1vs6 n LYS 89 Cb 0.00 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.14 1vs6 n LYS 89 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1vs6 s LEU 90 N 0.00 1.27 0.00 -0.35 1.02 -1.25 0.93 118.68 120.30 1vs6 s LEU 90 Ca 0.00 -1.60 0.00 0.00 0.02 0.00 0.00 54.13 52.55 1vs6 s LEU 90 Cb 0.00 1.20 0.00 0.00 0.02 0.00 0.00 46.19 47.41 1vs6 s LEU 90 CO 0.00 -1.25 0.00 0.49 0.02 0.00 0.00 176.35 175.61 1vs6 n PHE 91 N -0.60 0.00 -1.11 0.29 3.01 0.75 -4.79 117.46 115.01 1vs6 n PHE 91 Ca 0.03 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.15 1vs6 n PHE 91 Cb 0.62 0.00 0.12 0.00 -0.01 0.00 0.00 39.48 40.20 1vs6 n PHE 91 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1vs6 n GLY 92 N 2.21 -0.43 3.53 1.37 0.00 0.51 -4.96 105.19 107.42 1vs6 n GLY 92 Ca 0.00 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 1vs6 n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vs6 s SER 93 N -1.99 5.41 -0.30 1.61 0.01 -1.26 -4.89 113.70 112.29 1vs6 s SER 93 Ca 0.71 -0.08 -0.05 0.00 1.31 0.00 0.00 55.95 57.84 1vs6 s SER 93 Cb -0.30 -1.96 0.03 0.00 0.21 0.00 0.00 66.02 64.00 1vs6 s SER 93 CO 0.53 0.04 0.05 -0.63 0.41 0.00 0.00 173.24 173.65 1vs6 s ILE 94 N 1.15 3.60 0.00 1.44 -1.09 -1.26 -4.74 121.20 120.30 1vs6 s ILE 94 Ca 0.05 -0.95 0.00 0.00 -2.23 0.00 0.00 60.65 57.51 1vs6 s ILE 94 Cb -0.14 -2.93 0.00 0.00 -1.58 0.00 0.00 42.46 37.81 1vs6 s ILE 94 CO 0.04 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.37 1vs6 n GLY 95 N 4.79 -0.67 0.66 6.18 0.00 -1.26 -4.49 105.19 110.40 1vs6 n GLY 95 Ca -0.14 0.37 -0.07 0.00 0.00 0.00 0.00 46.02 46.18 1vs6 n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vs6 n THR 96 N -0.08 1.10 0.00 2.61 -2.24 -1.26 -4.63 114.28 109.79 1vs6 n THR 96 Ca 0.00 0.15 -0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1vs6 n THR 96 Cb 0.00 -1.82 -0.00 0.00 -2.10 0.00 0.00 70.33 66.41 1vs6 n THR 96 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1vs6 h ARG 97 N -0.40 -0.01 -1.34 -0.78 2.43 -1.94 -1.52 114.38 110.82 1vs6 h ARG 97 Ca -0.10 0.00 0.39 0.00 -0.81 0.00 0.00 59.98 59.47 1vs6 h ARG 97 Cb 0.69 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.16 1vs6 h ARG 97 CO -0.06 -0.01 0.93 0.38 -1.51 0.00 0.00 179.97 179.70 1vs6 h ASP 98 N -0.01 0.13 0.14 -3.80 2.03 -1.90 0.41 116.42 113.42 1vs6 h ASP 98 Ca -0.00 0.04 -0.01 0.00 -0.73 0.00 0.00 57.03 56.34 1vs6 h ASP 98 Cb 0.01 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.54 1vs6 h ASP 98 CO -0.00 -0.02 -0.07 0.40 -1.03 0.00 0.00 179.24 178.52 1vs6 h ILE 99 N 0.09 0.83 -0.14 4.15 1.08 -1.77 -3.09 117.51 118.67 1vs6 h ILE 99 Ca 0.69 -1.23 -0.09 0.00 -0.39 0.00 0.00 64.86 63.85 1vs6 h ILE 99 Cb 2.48 1.44 0.00 0.00 -3.07 0.00 0.00 36.82 37.67 1vs6 h ILE 99 CO -0.14 0.23 -0.27 0.00 -0.69 0.00 0.00 178.15 177.28 1vs6 h ALA 100 N -0.37 0.21 0.00 1.87 0.00 -0.35 -3.05 119.26 117.57 1vs6 h ALA 100 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1vs6 h ALA 100 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1vs6 h ALA 100 CO 0.03 0.21 0.00 -3.47 0.00 0.00 0.00 179.25 176.02 1vs6 n ASP 101 N -4.43 0.00 -1.25 0.00 2.03 0.13 -3.44 116.55 109.59 1vs6 n ASP 101 Ca -0.07 -0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.16 1vs6 n ASP 101 Cb 0.45 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 1vs6 n ASP 101 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1vs6 n ALA 102 N -1.17 3.17 0.00 -1.67 0.00 -1.15 -3.20 120.51 116.48 1vs6 n ALA 102 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1vs6 n ALA 102 Cb 0.07 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1vs6 n ALA 102 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1vs6 n VAL 103 N 1.00 0.00 -0.67 0.00 0.24 -1.22 -4.86 118.33 112.82 1vs6 n VAL 103 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 1vs6 n VAL 103 Cb 0.48 0.14 -0.08 0.00 -1.47 0.00 0.00 33.84 32.91 1vs6 n VAL 103 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1vs6 n THR 104 N -0.88 2.06 0.21 3.34 5.66 -1.19 -4.40 114.28 119.08 1vs6 n THR 104 Ca 0.00 -1.09 -0.12 0.00 -3.05 0.00 0.00 64.05 59.79 1vs6 n THR 104 Cb 0.04 -1.90 -0.07 0.00 -1.55 0.00 0.00 70.33 66.85 1vs6 n THR 104 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1vs6 h ALA 105 N 4.65 -0.59 0.20 1.79 0.00 -1.89 -3.34 119.26 120.09 1vs6 h ALA 105 Ca 0.22 -0.18 -0.33 0.00 0.00 0.00 0.00 54.91 54.63 1vs6 h ALA 105 Cb 0.75 0.23 0.02 0.00 0.00 0.00 0.00 17.79 18.79 1vs6 h ALA 105 CO 0.62 -0.61 -1.54 0.00 0.00 0.00 0.00 179.25 177.72 1vs6 h ALA 106 N -0.78 0.01 0.00 0.00 0.00 -2.03 -3.48 119.26 112.99 1vs6 h ALA 106 Ca -0.06 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 53.86 1vs6 h ALA 106 Cb 0.56 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1vs6 h ALA 106 CO 0.10 0.82 0.00 0.41 0.00 0.00 0.00 179.25 180.58 1vs6 n GLY 107 N 1.78 0.00 3.19 0.00 0.00 -1.25 -5.16 105.19 103.75 1vs6 n GLY 107 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 0.00 -3.89 1.61 0.24 -1.26 -4.85 118.33 110.18 1vs6 n VAL 108 Ca 0.00 -0.33 -0.10 0.00 -2.04 0.00 0.00 64.34 61.87 1vs6 n VAL 108 Cb 0.00 -0.29 -0.10 0.00 -1.47 0.00 0.00 33.84 31.98 1vs6 n VAL 108 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1vs6 s GLU 109 N -2.76 0.52 0.00 7.34 2.02 -1.26 -3.74 118.70 120.82 1vs6 s GLU 109 Ca 0.48 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.94 1vs6 s GLU 109 Cb -0.17 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.27 1vs6 s GLU 109 CO 0.75 -0.13 0.00 1.33 0.02 0.00 0.00 175.26 177.23 1vs6 n VAL 110 N 1.22 0.00 -3.89 2.63 0.24 -1.26 -5.08 118.33 112.19 1vs6 n VAL 110 Ca -0.22 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 61.98 1vs6 n VAL 110 Cb 0.56 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.83 1vs6 n VAL 110 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vs6 s ALA 111 N -1.94 -0.24 -0.14 2.33 0.00 -1.26 -5.02 121.76 115.49 1vs6 s ALA 111 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1vs6 s ALA 111 Cb 0.00 0.10 0.14 0.00 0.00 0.00 0.00 23.12 23.36 1vs6 s ALA 111 CO 0.00 -0.19 1.61 0.36 0.00 0.00 0.00 175.76 177.54 1vs6 n LYS 112 N 1.58 1.36 -0.11 0.00 -0.00 -1.26 -4.02 118.16 115.70 1vs6 n LYS 112 Ca -0.22 -0.77 0.05 0.00 -0.00 0.00 0.00 58.31 57.38 1vs6 n LYS 112 Cb 0.56 -1.30 0.11 0.00 -0.00 0.00 0.00 35.03 34.40 1vs6 n LYS 112 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1vs6 n SER 113 N 0.50 2.55 -3.51 -5.58 3.41 -1.26 -4.78 113.62 104.95 1vs6 n SER 113 Ca 0.15 -1.81 -0.27 0.00 -0.26 0.00 0.00 58.87 56.68 1vs6 n SER 113 Cb 0.67 -0.15 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 1vs6 n SER 113 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1vs6 n GLU 114 N 0.53 1.34 -4.34 4.33 1.02 -1.26 -4.88 120.64 117.39 1vs6 n GLU 114 Ca 0.10 -3.93 -0.20 0.00 -0.02 0.00 0.00 57.16 53.10 1vs6 n GLU 114 Cb 0.37 -1.91 -0.13 0.00 -0.02 0.00 0.00 31.44 29.75 1vs6 n GLU 114 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1vs6 s VAL 115 N -1.25 1.12 -0.58 2.62 -7.23 -1.26 -0.74 120.40 113.10 1vs6 s VAL 115 Ca 0.33 -1.04 0.04 0.00 -1.81 0.00 0.00 61.98 59.50 1vs6 s VAL 115 Cb 0.07 -1.02 0.16 0.00 0.56 0.00 0.00 36.38 36.14 1vs6 s VAL 115 CO -0.13 -0.02 0.38 -0.60 -0.31 0.00 0.00 175.10 174.43 1vs6 s ARG 116 N -1.20 1.91 -0.39 4.82 3.52 -0.83 -4.47 118.95 122.31 1vs6 s ARG 116 Ca 0.01 -2.78 0.06 0.00 -0.13 0.00 0.00 55.73 52.89 1vs6 s ARG 116 Cb -0.08 -2.88 0.17 0.00 -1.56 0.00 0.00 34.95 30.60 1vs6 s ARG 116 CO 0.01 -1.25 0.52 -0.51 -0.81 0.00 0.00 175.30 173.27 1vs6 s LEU 117 N -0.68 -0.93 0.05 -0.88 1.02 -1.26 -4.37 118.68 111.63 1vs6 s LEU 117 Ca 0.23 -1.06 -0.14 0.00 0.02 0.00 0.00 54.13 53.18 1vs6 s LEU 117 Cb -0.10 1.39 -0.05 0.00 0.02 0.00 0.00 46.19 47.44 1vs6 s LEU 117 CO -0.11 -0.21 1.24 -0.65 0.02 0.00 0.00 176.35 176.63 1vs6 h PRO 118 N 7.08 -0.22 -6.97 1.29 0.11 -2.03 -3.41 132.00 127.86 1vs6 h PRO 118 Ca 0.04 0.01 -0.51 0.00 0.11 0.00 0.00 66.00 65.66 1vs6 h PRO 118 Cb 1.13 0.05 0.07 0.00 0.11 0.00 0.00 31.00 32.36 1vs6 h PRO 118 CO 0.15 -0.15 0.52 1.21 -0.21 0.00 0.00 178.00 179.52 1vs6 s ASN 119 N -3.60 6.29 0.33 -2.05 3.84 -1.26 -4.96 114.94 113.53 1vs6 s ASN 119 Ca -0.06 2.42 -0.29 0.00 0.21 0.00 0.00 52.86 55.13 1vs6 s ASN 119 Cb 0.03 -2.62 -0.10 0.00 -0.55 0.00 0.00 41.25 38.01 1vs6 s ASN 119 CO 0.26 -0.84 1.32 -0.83 -2.79 0.00 0.00 177.10 174.23 1vs6 s GLY 120 N -1.12 2.98 0.09 1.21 0.00 -1.26 -4.89 107.32 104.33 1vs6 s GLY 120 Ca 0.60 1.29 -0.31 0.00 0.00 0.00 0.00 44.72 46.30 1vs6 s GLY 120 CO 0.40 1.95 1.88 -0.62 0.00 0.00 0.00 173.10 176.71 1vs6 n VAL 121 N 0.80 0.50 -1.37 1.40 0.31 -1.26 -4.93 118.33 113.77 1vs6 n VAL 121 Ca 0.00 -0.09 -0.35 0.00 -0.01 0.00 0.00 64.34 63.89 1vs6 n VAL 121 Cb 0.42 -2.17 0.09 0.00 -0.91 0.00 0.00 33.84 31.27 1vs6 n VAL 121 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1vs6 n LEU 122 N 6.24 4.39 -3.03 7.52 4.32 -1.26 -4.84 117.00 130.34 1vs6 n LEU 122 Ca 0.19 0.68 -0.33 0.00 -0.02 0.00 0.00 56.01 56.53 1vs6 n LEU 122 Cb 0.38 -1.47 -0.05 0.00 -1.62 0.00 0.00 43.42 40.65 1vs6 n LEU 122 CO 0.67 -1.69 2.74 0.54 -1.22 0.00 0.00 177.39 178.43 1vs6 n ARG 123 N -2.29 3.46 0.00 3.23 1.74 -1.26 -4.78 116.66 116.76 1vs6 n ARG 123 Ca 0.14 -2.22 0.00 0.00 -0.77 0.00 0.00 57.85 55.00 1vs6 n ARG 123 Cb 0.49 -2.56 0.00 0.00 -1.02 0.00 0.00 32.46 29.37 1vs6 n ARG 123 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1vs6 n THR 124 N 2.82 0.00 0.00 0.55 -1.04 -1.26 -4.48 114.28 110.87 1vs6 n THR 124 Ca 0.67 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.68 1vs6 n THR 124 Cb 0.39 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 1vs6 n THR 124 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1vs6 n THR 125 N 0.00 0.00 -0.54 12.58 5.66 -1.26 -4.87 114.28 125.86 1vs6 n THR 125 Ca 0.00 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.75 1vs6 n THR 125 Cb 0.00 0.00 0.18 0.00 -1.55 0.00 0.00 70.33 68.96 1vs6 n THR 125 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1vs6 n GLY 126 N -0.05 -2.67 3.52 1.09 0.00 -1.26 -2.43 105.19 103.38 1vs6 n GLY 126 Ca 0.00 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.82 1vs6 n GLY 126 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1vs6 n GLU 127 N -2.43 0.22 -2.28 1.61 2.13 -1.26 -4.68 120.64 113.95 1vs6 n GLU 127 Ca 0.05 -0.15 -0.43 0.00 0.66 0.00 0.00 57.16 57.29 1vs6 n GLU 127 Cb 0.48 -1.91 -0.02 0.00 0.27 0.00 0.00 31.44 30.26 1vs6 n GLU 127 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1vs6 s HIS 128 N 6.64 2.29 -0.17 4.31 5.65 0.54 -4.89 115.29 129.66 1vs6 s HIS 128 Ca 1.22 0.67 -0.29 0.00 0.25 0.00 0.00 55.06 56.91 1vs6 s HIS 128 Cb -0.76 -4.23 -0.01 0.00 -1.18 0.00 0.00 32.58 26.40 1vs6 s HIS 128 CO 0.43 -2.20 1.16 -1.21 -0.65 0.00 0.00 174.74 172.27 1vs6 s GLU 129 N 5.00 4.27 -0.62 2.88 2.02 -1.26 -1.47 118.70 129.51 1vs6 s GLU 129 Ca 0.65 1.54 0.05 0.00 0.02 0.00 0.00 54.97 57.23 1vs6 s GLU 129 Cb -0.16 -3.69 0.17 0.00 0.10 0.00 0.00 34.13 30.55 1vs6 s GLU 129 CO 0.32 -0.63 0.43 0.08 0.02 0.00 0.00 175.26 175.49 1vs6 s VAL 130 N 3.16 2.26 -0.90 2.63 1.01 0.91 -4.97 120.40 124.51 1vs6 s VAL 130 Ca 0.51 -3.79 -0.24 0.00 0.00 0.00 0.00 61.98 58.46 1vs6 s VAL 130 Cb -0.20 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.68 1vs6 s VAL 130 CO 0.13 -1.04 1.69 -0.94 0.00 0.00 0.00 175.10 174.94 1vs6 s SER 131 N -0.97 5.76 -0.08 3.32 1.04 -1.26 0.14 113.70 121.64 1vs6 s SER 131 Ca 0.26 -0.82 -0.39 0.00 0.48 0.00 0.00 55.95 55.48 1vs6 s SER 131 Cb -0.05 -2.56 -0.17 0.00 0.10 0.00 0.00 66.02 63.34 1vs6 s SER 131 CO -0.15 -2.16 1.48 0.33 0.98 0.00 0.00 173.24 173.72 1vs6 n PHE 132 N 11.50 1.66 -2.89 5.02 7.35 -0.70 -1.97 117.46 137.43 1vs6 n PHE 132 Ca 0.31 0.66 -0.34 0.00 -0.76 0.00 0.00 57.45 57.32 1vs6 n PHE 132 Cb 0.49 -2.36 -0.02 0.00 0.35 0.00 0.00 39.48 37.95 1vs6 n PHE 132 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 1vs6 n GLN 133 N 3.57 4.16 0.00 -4.13 7.27 0.08 -1.53 117.38 126.80 1vs6 n GLN 133 Ca 0.22 -4.74 0.00 0.00 0.07 0.00 0.00 57.00 52.55 1vs6 n GLN 133 Cb 0.15 -2.36 0.00 0.00 2.41 0.00 0.00 30.24 30.44 1vs6 n GLN 133 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 1vs6 n VAL 134 N 0.12 0.00 -4.44 1.69 3.14 -1.26 -3.99 118.33 113.59 1vs6 n VAL 134 Ca 0.36 0.87 -0.24 0.00 -2.96 0.00 0.00 64.34 62.37 1vs6 n VAL 134 Cb 0.34 -1.86 -0.10 0.00 -1.06 0.00 0.00 33.84 31.16 1vs6 n VAL 134 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 1vs6 s HIS 135 N -0.74 2.34 0.40 1.45 0.09 -1.16 -4.88 115.29 112.80 1vs6 s HIS 135 Ca 0.00 -0.32 0.11 0.00 -0.00 0.00 0.00 55.06 54.85 1vs6 s HIS 135 Cb 0.00 -1.04 0.84 0.00 -0.00 0.00 0.00 32.58 32.39 1vs6 s HIS 135 CO 0.00 0.68 1.94 0.77 -0.00 0.00 0.00 174.74 178.12 1vs6 h SER 136 N 2.37 0.17 0.47 1.40 0.02 -2.00 -2.25 113.55 113.73 1vs6 h SER 136 Ca -0.41 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.45 1vs6 h SER 136 Cb 1.25 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1vs6 h SER 136 CO 0.58 0.33 -0.28 -0.08 -1.14 0.00 0.00 176.83 176.24 1vs6 h GLU 137 N 0.17 0.00 -3.25 3.45 4.57 -1.98 -3.43 114.58 114.11 1vs6 h GLU 137 Ca 0.03 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.03 1vs6 h GLU 137 Cb 0.36 0.00 -0.27 0.00 -0.16 0.00 0.00 28.75 28.68 1vs6 h GLU 137 CO 0.02 0.28 -0.50 0.14 -1.18 0.00 0.00 179.01 177.77 1vs6 s VAL 138 N -4.08 -0.01 0.52 0.32 -7.23 -0.85 -5.10 120.40 103.98 1vs6 s VAL 138 Ca -0.02 0.03 0.01 0.00 -1.81 0.00 0.00 61.98 60.19 1vs6 s VAL 138 Cb 0.13 -0.28 -0.00 0.00 0.56 0.00 0.00 36.38 36.79 1vs6 s VAL 138 CO 0.67 0.01 0.05 -0.36 -0.31 0.00 0.00 175.10 175.15 1vs6 s PHE 139 N 0.28 1.80 0.27 2.82 0.40 -1.26 -2.99 117.98 119.29 1vs6 s PHE 139 Ca -0.01 -0.96 -0.06 0.00 -0.60 0.00 0.00 56.93 55.29 1vs6 s PHE 139 Cb -0.03 -1.63 0.03 0.00 0.51 0.00 0.00 43.02 41.89 1vs6 s PHE 139 CO -0.01 0.14 0.46 0.00 0.70 0.00 0.00 175.22 176.51 1vs6 n ALA 140 N -1.34 -0.80 -2.91 5.36 0.00 -0.58 -2.88 120.51 117.36 1vs6 n ALA 140 Ca -0.18 -1.01 -0.12 0.00 0.00 0.00 0.00 53.44 52.13 1vs6 n ALA 140 Cb 0.67 0.81 -0.13 0.00 0.00 0.00 0.00 19.45 20.79 1vs6 n ALA 140 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1vs6 s LYS 141 N -2.29 0.08 0.17 0.00 3.01 -1.26 -1.71 119.74 117.73 1vs6 s LYS 141 Ca 0.15 -0.09 -0.03 0.00 -1.01 0.00 0.00 55.97 55.00 1vs6 s LYS 141 Cb -0.02 0.03 -0.03 0.00 -1.01 0.00 0.00 37.83 36.80 1vs6 s LYS 141 CO 0.11 -0.01 0.13 0.08 0.51 0.00 0.00 175.35 176.17 1vs6 s VAL 142 N -0.27 0.06 0.09 3.17 1.01 0.36 -4.41 120.40 120.40 1vs6 s VAL 142 Ca -0.03 -1.85 0.02 0.00 0.00 0.00 0.00 61.98 60.11 1vs6 s VAL 142 Cb -0.02 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1vs6 s VAL 142 CO -0.00 -0.26 -0.07 0.27 0.00 0.00 0.00 175.10 175.04 1vs6 s ILE 143 N -4.08 0.69 -0.07 2.22 -4.36 -1.26 -0.06 121.20 114.29 1vs6 s ILE 143 Ca 0.28 -1.85 -0.07 0.00 -0.26 0.00 0.00 60.65 58.75 1vs6 s ILE 143 Cb 0.06 -1.58 0.02 0.00 1.25 0.00 0.00 42.46 42.22 1vs6 s ILE 143 CO 0.06 -0.82 0.20 -0.69 0.24 0.00 0.00 174.94 173.93 1vs6 s VAL 144 N -3.38 0.01 -0.05 8.37 1.01 -0.54 -4.30 120.40 121.52 1vs6 s VAL 144 Ca 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 1vs6 s VAL 144 Cb 0.04 -0.32 0.03 0.00 0.00 0.00 0.00 36.38 36.12 1vs6 s VAL 144 CO -0.04 -0.05 0.03 0.21 0.00 0.00 0.00 175.10 175.24 1vs6 s ASN 145 N -0.12 1.06 0.35 3.32 2.47 -0.61 -0.34 114.94 121.07 1vs6 s ASN 145 Ca -0.02 0.00 -0.18 0.00 0.42 0.00 0.00 52.86 53.08 1vs6 s ASN 145 Cb -0.02 -0.25 -0.10 0.00 -1.45 0.00 0.00 41.25 39.43 1vs6 s ASN 145 CO 0.01 -0.19 0.82 -0.69 -3.72 0.00 0.00 177.10 173.33 1vs6 s VAL 146 N 1.78 4.54 0.16 -5.21 1.01 -1.02 -3.05 120.40 118.61 1vs6 s VAL 146 Ca 0.01 1.23 0.02 0.00 0.00 0.00 0.00 61.98 63.23 1vs6 s VAL 146 Cb -0.12 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1vs6 s VAL 146 CO -0.03 -0.17 -0.01 -0.69 0.00 0.00 0.00 175.10 174.20 1vs6 s VAL 147 N -1.97 0.67 0.31 2.92 1.01 -1.26 -4.85 120.40 117.21 1vs6 s VAL 147 Ca 0.55 -1.97 -0.08 0.00 0.00 0.00 0.00 61.98 60.48 1vs6 s VAL 147 Cb -0.11 -2.04 -0.06 0.00 0.00 0.00 0.00 36.38 34.17 1vs6 s VAL 147 CO 0.17 -0.55 0.62 0.00 0.00 0.00 0.00 175.10 175.35 1vs6 s ALA 148 N -3.66 3.51 0.00 5.51 0.00 -1.26 -3.44 121.76 122.42 1vs6 s ALA 148 Ca 0.22 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1vs6 s ALA 148 Cb 0.06 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.71 1vs6 s ALA 148 CO 0.02 0.24 0.00 -0.85 0.00 0.00 0.00 175.76 175.17