#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6p s ARG 2 N 0.00 2.45 0.58 0.03 1.81 -1.26 -0.85 118.95 121.71 2k6p s ARG 2 Ca 0.00 -0.77 0.32 0.00 -1.72 0.00 0.00 55.73 53.56 2k6p s ARG 2 Cb 0.00 -1.99 1.37 0.00 -0.45 0.00 0.00 34.95 33.89 2k6p s ARG 2 CO 0.00 0.24 1.69 0.97 -0.68 0.00 0.00 175.30 177.52 2k6p h ILE 3 N 5.43 0.25 0.79 1.52 -0.00 -1.92 1.09 117.51 124.66 2k6p h ILE 3 Ca -0.28 0.00 -0.04 0.00 -0.00 0.00 0.00 64.86 64.55 2k6p h ILE 3 Cb 1.20 0.35 0.01 0.00 -0.00 0.00 0.00 36.82 38.37 2k6p h ILE 3 CO 0.47 0.00 -0.38 -0.78 -0.00 0.00 0.00 178.15 177.46 2k6p h ASP 4 N 0.00 -0.90 0.22 2.19 1.82 -1.89 -3.22 116.42 114.64 2k6p h ASP 4 Ca 0.44 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 57.11 2k6p h ASP 4 Cb 2.16 0.23 0.00 0.00 0.68 0.00 0.00 39.33 42.40 2k6p h ASP 4 CO -0.00 -0.54 -0.24 0.29 -1.61 0.00 0.00 179.24 177.14 2k6p n LYS 5 N -5.48 0.90 0.04 0.28 4.76 -0.40 -3.55 118.16 114.71 2k6p n LYS 5 Ca -0.13 -0.53 -0.02 0.00 -2.87 0.00 0.00 58.31 54.76 2k6p n LYS 5 Cb 0.42 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 32.11 2k6p n LYS 5 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 2k6p h PHE 6 N 1.30 -0.10 0.00 2.13 3.57 0.11 -2.93 116.94 121.02 2k6p h PHE 6 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2k6p h PHE 6 Cb 0.51 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2k6p h PHE 6 CO 0.00 -0.06 -0.10 1.47 -2.23 0.00 0.00 178.31 177.39 2k6p n LEU 7 N -2.77 0.41 0.03 0.59 -0.00 -1.22 -3.29 117.00 110.75 2k6p n LEU 7 Ca -0.01 0.46 0.12 0.00 -0.00 0.00 0.00 56.01 56.58 2k6p n LEU 7 Cb 0.04 -0.38 0.16 0.00 -0.00 0.00 0.00 43.42 43.24 2k6p n LEU 7 CO 0.03 -0.06 0.31 0.00 -0.00 0.00 0.00 177.39 177.67 2k6p n GLN 8 N -1.84 0.20 -0.51 1.47 6.02 -1.23 -3.07 117.38 118.42 2k6p n GLN 8 Ca 0.06 0.04 0.04 0.00 -0.01 0.00 0.00 57.00 57.13 2k6p n GLN 8 Cb 0.38 -1.61 0.20 0.00 1.02 0.00 0.00 30.24 30.24 2k6p n GLN 8 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2k6p n SER 9 N -1.88 2.68 0.00 1.08 3.41 -1.11 -4.59 113.62 113.21 2k6p n SER 9 Ca 0.04 -3.44 0.00 0.00 -0.26 0.00 0.00 58.87 55.20 2k6p n SER 9 Cb 0.41 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 2k6p n SER 9 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2k6p n VAL 10 N -1.04 0.00 0.00 -3.33 0.24 -1.24 -2.77 118.33 110.19 2k6p n VAL 10 Ca 0.24 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.54 2k6p n VAL 10 Cb 0.85 -0.82 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 2k6p n VAL 10 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k6p n GLY 11 N 3.27 0.00 0.72 7.63 0.00 -1.26 -4.85 105.19 110.70 2k6p n GLY 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k6p n GLY 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k6p n LEU 12 N 0.00 0.96 -4.35 0.99 4.77 -1.18 -5.07 117.00 113.13 2k6p n LEU 12 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 2k6p n LEU 12 Cb 0.00 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.94 2k6p n LEU 12 CO 0.00 0.10 -0.57 -0.69 -1.33 0.00 0.00 177.39 174.90 2k6p s VAL 13 N -1.92 2.15 -0.50 4.08 1.01 -1.22 -5.04 120.40 118.95 2k6p s VAL 13 Ca 0.00 -1.38 -0.12 0.00 0.00 0.00 0.00 61.98 60.48 2k6p s VAL 13 Cb 0.00 -1.83 0.13 0.00 0.00 0.00 0.00 36.38 34.67 2k6p s VAL 13 CO 0.00 0.37 0.41 -1.59 0.00 0.00 0.00 175.10 174.29 2k6p s LYS 14 N -1.22 2.68 -0.26 2.72 -2.85 -1.26 -4.71 119.74 114.83 2k6p s LYS 14 Ca 0.12 -1.77 -0.12 0.00 -1.00 0.00 0.00 55.97 53.20 2k6p s LYS 14 Cb -0.10 -4.06 0.10 0.00 -2.06 0.00 0.00 37.83 31.70 2k6p s LYS 14 CO 0.02 -1.24 0.60 1.03 0.10 0.00 0.00 175.35 175.86 2k6p s ARG 15 N 1.41 0.57 0.00 1.78 3.00 -1.26 -5.10 118.95 119.35 2k6p s ARG 15 Ca 0.05 1.23 0.00 0.00 0.00 0.00 0.00 55.73 57.01 2k6p s ARG 15 Cb -0.27 0.42 0.00 0.00 0.00 0.00 0.00 34.95 35.10 2k6p s ARG 15 CO 0.00 -0.18 0.00 0.54 0.00 0.00 0.00 175.30 175.66 2k6p n ARG 16 N 4.88 0.00 -2.88 3.54 1.74 -1.26 -4.87 116.66 117.81 2k6p n ARG 16 Ca -0.16 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.59 2k6p n ARG 16 Cb 0.53 -0.10 -0.02 0.00 -1.02 0.00 0.00 32.46 31.86 2k6p n ARG 16 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2k6p n VAL 17 N -1.68 4.24 -4.23 1.55 3.14 -1.26 -5.02 118.33 115.09 2k6p n VAL 17 Ca 0.00 -5.72 -0.16 0.00 -2.96 0.00 0.00 64.34 55.50 2k6p n VAL 17 Cb 0.00 -1.56 -0.11 0.00 -1.06 0.00 0.00 33.84 31.11 2k6p n VAL 17 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2k6p s LEU 18 N -3.64 2.43 0.17 6.55 1.43 -1.26 -5.13 118.68 119.23 2k6p s LEU 18 Ca 0.43 -0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 52.38 2k6p s LEU 18 Cb 0.22 -0.44 -0.08 0.00 0.03 0.00 0.00 46.19 45.92 2k6p s LEU 18 CO -0.11 -0.21 1.26 0.00 0.23 0.00 0.00 176.35 177.52 2k6p s ALA 19 N -2.46 3.48 -0.11 4.21 0.00 -1.26 -4.93 121.76 120.69 2k6p s ALA 19 Ca 0.10 1.02 -0.30 0.00 0.00 0.00 0.00 51.96 52.77 2k6p s ALA 19 Cb -0.03 -3.46 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 2k6p s ALA 19 CO 0.02 -0.47 2.08 -2.37 0.00 0.00 0.00 175.76 175.02 2k6p n THR 20 N 2.89 0.53 -0.03 0.00 5.66 -1.26 -4.82 114.28 117.25 2k6p n THR 20 Ca 0.06 -0.27 0.03 0.00 -3.05 0.00 0.00 64.05 60.82 2k6p n THR 20 Cb 0.44 -2.31 -0.13 0.00 -1.55 0.00 0.00 70.33 66.78 2k6p n THR 20 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2k6p n ASP 21 N 9.27 1.23 -0.13 1.09 8.00 -1.26 -4.45 116.55 130.30 2k6p n ASP 21 Ca 0.26 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.87 2k6p n ASP 21 Cb 0.40 1.45 0.45 0.00 -0.02 0.00 0.00 41.12 43.39 2k6p n ASP 21 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2k6p h MET 22 N 0.00 0.51 0.00 -1.24 2.86 -1.99 0.23 114.93 115.30 2k6p h MET 22 Ca -0.14 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 2k6p h MET 22 Cb 1.17 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.71 2k6p h MET 22 CO 0.01 0.34 0.00 0.00 1.06 0.00 0.00 176.91 178.32 2k6p n ASN 24 N -2.06 1.39 -0.15 0.00 5.15 0.55 -4.57 115.26 115.57 2k6p n ASN 24 Ca 0.02 0.24 0.12 0.00 -0.60 0.00 0.00 54.58 54.36 2k6p n ASN 24 Cb 0.19 -0.58 0.46 0.00 -0.53 0.00 0.00 39.78 39.33 2k6p n ASN 24 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 2k6p h VAL 25 N -0.71 0.88 0.00 3.44 -1.51 -0.90 -3.46 116.25 113.99 2k6p h VAL 25 Ca -0.48 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 2k6p h VAL 25 Cb 1.41 0.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 2k6p h VAL 25 CO -0.29 0.09 0.00 0.61 -1.23 0.00 0.00 177.57 176.75 2k6p n GLY 26 N -1.50 0.59 0.07 5.19 0.00 -0.97 -5.05 105.19 103.53 2k6p n GLY 26 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 2k6p n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k6p n ALA 27 N 0.00 1.69 -2.12 4.61 0.00 -0.88 -4.33 120.51 119.47 2k6p n ALA 27 Ca 0.00 -0.77 -0.42 0.00 0.00 0.00 0.00 53.44 52.25 2k6p n ALA 27 Cb 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 2k6p n ALA 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k6p s VAL 28 N -2.30 3.36 -0.29 0.00 0.11 -1.24 -3.41 120.40 116.63 2k6p s VAL 28 Ca -0.11 0.86 -0.01 0.00 -2.93 0.00 0.00 61.98 59.79 2k6p s VAL 28 Cb 0.04 -3.55 0.13 0.00 -1.53 0.00 0.00 36.38 31.47 2k6p s VAL 28 CO 0.46 0.02 0.25 0.26 -3.33 0.00 0.00 175.10 172.76 2k6p s TRP 29 N 2.01 -0.26 -0.32 1.54 0.52 -1.21 -2.80 118.94 118.42 2k6p s TRP 29 Ca 0.67 -0.33 -0.17 0.00 0.02 0.00 0.00 56.10 56.28 2k6p s TRP 29 Cb -0.36 -0.57 -0.01 0.00 -1.15 0.00 0.00 33.47 31.38 2k6p s TRP 29 CO 0.29 -0.89 0.48 -1.17 0.02 0.00 0.00 176.95 175.68 2k6p s LEU 30 N 2.30 4.25 -1.22 2.99 0.20 0.29 -2.24 118.68 125.23 2k6p s LEU 30 Ca 0.09 0.11 -0.03 0.00 0.69 0.00 0.00 54.13 54.99 2k6p s LEU 30 Cb -0.14 -2.55 0.00 0.00 -0.43 0.00 0.00 46.19 43.07 2k6p s LEU 30 CO -0.33 -0.38 1.04 -3.20 -0.29 0.00 0.00 176.35 173.18 2k6p n ASN 31 N 5.61 -3.51 -2.92 3.68 5.15 -0.82 -2.41 115.26 120.04 2k6p n ASN 31 Ca -0.06 -0.58 -0.20 0.00 -0.60 0.00 0.00 54.58 53.14 2k6p n ASN 31 Cb 0.49 -4.98 0.05 0.00 -0.53 0.00 0.00 39.78 34.82 2k6p n ASN 31 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k6p n GLY 32 N -1.42 -0.37 3.43 8.20 0.00 -1.26 -4.98 105.19 108.79 2k6p n GLY 32 Ca -0.18 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 2k6p n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k6p s SER 33 N -2.99 -0.62 0.25 1.61 0.15 -1.01 -5.12 113.70 105.97 2k6p s SER 33 Ca 0.38 1.11 -0.31 0.00 0.70 0.00 0.00 55.95 57.83 2k6p s SER 33 Cb -0.17 1.06 -0.12 0.00 -1.71 0.00 0.00 66.02 65.08 2k6p s SER 33 CO 0.47 -0.20 1.62 0.00 1.20 0.00 0.00 173.24 176.33 2k6p n ALA 35 N 2.77 0.10 -3.04 0.00 0.00 -1.12 -4.78 120.51 114.45 2k6p n ALA 35 Ca 0.12 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2k6p n ALA 35 Cb 0.35 0.22 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2k6p n ALA 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2k6p n LYS 36 N -0.35 1.82 -1.00 0.00 4.81 -1.26 -4.87 118.16 117.32 2k6p n LYS 36 Ca -0.03 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.28 2k6p n LYS 36 Cb 0.12 0.00 0.22 0.00 0.02 0.00 0.00 35.03 35.39 2k6p n LYS 36 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k6p n ALA 37 N -3.00 4.81 -2.01 3.14 0.00 -1.26 -4.10 120.51 118.09 2k6p n ALA 37 Ca 0.00 -2.31 -0.06 0.00 0.00 0.00 0.00 53.44 51.07 2k6p n ALA 37 Cb 0.00 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.07 2k6p n ALA 37 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k6p n SER 38 N -0.52 -0.86 -4.37 0.00 7.64 -1.26 -4.85 113.62 109.40 2k6p n SER 38 Ca 0.45 -1.91 -0.45 0.00 1.01 0.00 0.00 58.87 57.97 2k6p n SER 38 Cb 1.41 0.26 -0.07 0.00 -1.01 0.00 0.00 64.21 64.80 2k6p n SER 38 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2k6p s LYS 39 N 0.00 2.99 0.13 1.43 2.20 -1.26 -5.04 119.74 120.19 2k6p s LYS 39 Ca 0.01 -1.42 -0.32 0.00 -0.36 0.00 0.00 55.97 53.88 2k6p s LYS 39 Cb 0.01 -4.17 -0.12 0.00 -1.51 0.00 0.00 37.83 32.04 2k6p s LYS 39 CO -0.00 -1.10 1.78 -0.85 -0.36 0.00 0.00 175.35 174.81 2k6p n GLU 40 N 5.25 2.65 -1.99 4.03 0.28 -1.26 -3.85 120.64 125.75 2k6p n GLU 40 Ca -0.13 0.96 -0.29 0.00 -0.16 0.00 0.00 57.16 57.54 2k6p n GLU 40 Cb 0.43 -2.82 0.19 0.00 1.43 0.00 0.00 31.44 30.67 2k6p n GLU 40 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2k6p s VAL 41 N 2.21 2.01 0.06 3.84 -7.23 -0.03 -4.96 120.40 116.29 2k6p s VAL 41 Ca 0.81 -0.05 -0.01 0.00 -1.81 0.00 0.00 61.98 60.92 2k6p s VAL 41 Cb -0.53 -2.96 -0.04 0.00 0.56 0.00 0.00 36.38 33.41 2k6p s VAL 41 CO 0.37 0.00 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.59 2k6p s LYS 42 N -5.87 0.64 0.49 4.82 1.02 -1.26 -4.36 119.74 115.22 2k6p s LYS 42 Ca 0.75 -1.23 -0.23 0.00 0.02 0.00 0.00 55.97 55.28 2k6p s LYS 42 Cb -0.03 0.14 -0.07 0.00 -0.52 0.00 0.00 37.83 37.36 2k6p s LYS 42 CO 0.53 -0.09 1.29 0.00 -0.92 0.00 0.00 175.35 176.15 2k6p s ALA 43 N -3.83 2.97 -1.20 5.17 0.00 -1.26 -2.76 121.76 120.85 2k6p s ALA 43 Ca 0.07 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.23 2k6p s ALA 43 Cb 0.07 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2k6p s ALA 43 CO -0.09 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.05 2k6p n GLY 44 N 0.61 0.52 3.99 0.00 0.00 0.16 -4.95 105.19 105.52 2k6p n GLY 44 Ca 0.08 -0.39 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 2k6p n GLY 44 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k6p s ASP 45 N -2.62 5.58 -0.28 1.61 1.11 -1.11 -4.81 116.67 116.14 2k6p s ASP 45 Ca 0.00 -0.18 -0.05 0.00 0.18 0.00 0.00 52.55 52.50 2k6p s ASP 45 Cb 0.00 -0.90 0.01 0.00 1.07 0.00 0.00 42.92 43.11 2k6p s ASP 45 CO 0.00 -0.85 0.04 -0.89 1.18 0.00 0.00 175.17 174.66 2k6p s THR 46 N -2.49 3.68 -0.44 -1.27 2.01 -1.26 0.98 115.64 116.84 2k6p s THR 46 Ca 0.54 -0.78 -0.13 0.00 0.31 0.00 0.00 61.69 61.63 2k6p s THR 46 Cb -0.10 -2.89 0.07 0.00 0.01 0.00 0.00 72.50 69.59 2k6p s THR 46 CO 0.35 0.11 0.33 -0.63 -0.69 0.00 0.00 174.62 174.09 2k6p s ILE 47 N 1.45 4.82 0.31 1.82 1.01 0.26 -1.94 121.20 128.94 2k6p s ILE 47 Ca 0.02 -1.15 -0.01 0.00 0.00 0.00 0.00 60.65 59.51 2k6p s ILE 47 Cb -0.17 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 2k6p s ILE 47 CO 0.01 -0.51 0.52 -0.55 0.00 0.00 0.00 174.94 174.40 2k6p s SER 48 N 2.30 6.35 -0.02 3.58 0.15 -0.95 0.11 113.70 125.22 2k6p s SER 48 Ca 0.04 0.50 -0.02 0.00 0.70 0.00 0.00 55.95 57.16 2k6p s SER 48 Cb -0.23 -2.05 0.01 0.00 -1.71 0.00 0.00 66.02 62.04 2k6p s SER 48 CO 0.05 -0.22 0.06 -0.76 1.20 0.00 0.00 173.24 173.57 2k6p s LEU 49 N -3.95 1.65 -0.14 3.45 1.02 0.20 -3.34 118.68 117.57 2k6p s LEU 49 Ca 0.40 0.12 -0.07 0.00 0.02 0.00 0.00 54.13 54.60 2k6p s LEU 49 Cb -0.10 0.18 -0.04 0.00 0.02 0.00 0.00 46.19 46.25 2k6p s LEU 49 CO 0.33 -0.04 0.12 -2.28 0.02 0.00 0.00 176.35 174.50 2k6p s HIS 50 N 0.20 3.49 0.30 0.29 2.46 -1.24 -2.22 115.29 118.58 2k6p s HIS 50 Ca -0.01 0.42 0.05 0.00 0.47 0.00 0.00 55.06 55.99 2k6p s HIS 50 Cb -0.02 -1.99 -0.02 0.00 -0.13 0.00 0.00 32.58 30.42 2k6p s HIS 50 CO -0.01 0.57 0.28 0.66 -2.47 0.00 0.00 174.74 173.78 2k6p n TYR 51 N 2.45 -0.81 0.02 3.88 4.02 -0.59 -4.79 117.16 121.34 2k6p n TYR 51 Ca -0.19 -2.41 -0.06 0.00 -0.01 0.00 0.00 57.90 55.23 2k6p n TYR 51 Cb 0.54 0.30 -0.11 0.00 -0.02 0.00 0.00 39.34 40.04 2k6p n TYR 51 CO 0.00 0.00 0.00 1.37 -1.01 0.00 0.00 176.86 177.22 2k6p h LEU 52 N 0.00 0.00 0.00 7.72 -0.00 -2.04 -3.34 115.31 117.65 2k6p h LEU 52 Ca -0.21 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.43 2k6p h LEU 52 Cb 1.06 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.68 2k6p h LEU 52 CO 0.31 0.90 -1.27 0.07 -0.00 0.00 0.00 178.44 178.44 2k6p h LYS 53 N 0.00 0.00 0.00 0.17 -0.00 -2.03 -3.50 116.57 111.22 2k6p h LYS 53 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.48 2k6p h LYS 53 Cb 1.84 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 34.07 2k6p h LYS 53 CO 0.09 0.74 0.00 0.41 -0.00 0.00 0.00 179.45 180.69 2k6p n GLY 54 N 1.43 -0.57 3.13 0.07 0.00 -1.26 -5.16 105.19 102.83 2k6p n GLY 54 Ca -0.07 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 2k6p n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k6p s ILE 55 N -3.26 1.10 -0.10 -0.61 1.09 -1.26 -1.54 121.20 116.62 2k6p s ILE 55 Ca 0.00 -0.90 0.01 0.00 -1.10 0.00 0.00 60.65 58.67 2k6p s ILE 55 Cb 0.00 -0.98 0.02 0.00 -1.06 0.00 0.00 42.46 40.44 2k6p s ILE 55 CO 0.00 0.07 -0.13 -1.61 -0.10 0.00 0.00 174.94 173.18 2k6p s GLU 56 N -0.94 1.91 -0.43 2.79 0.41 -0.94 -4.99 118.70 116.51 2k6p s GLU 56 Ca 0.02 -0.45 -0.11 0.00 -0.41 0.00 0.00 54.97 54.03 2k6p s GLU 56 Cb -0.07 -1.68 0.08 0.00 -1.78 0.00 0.00 34.13 30.68 2k6p s GLU 56 CO 0.01 -0.08 0.30 -2.00 -0.49 0.00 0.00 175.26 172.99 2k6p s GLU 57 N 1.04 2.71 0.74 1.61 2.12 -1.26 -0.63 118.70 125.04 2k6p s GLU 57 Ca -0.06 -1.43 -0.01 0.00 0.36 0.00 0.00 54.97 53.83 2k6p s GLU 57 Cb -0.15 -3.88 0.15 0.00 0.26 0.00 0.00 34.13 30.52 2k6p s GLU 57 CO -0.01 -0.97 1.02 0.66 -0.54 0.00 0.00 175.26 175.41 2k6p n TYR 58 N 5.00 -3.00 -3.71 5.30 4.02 0.31 0.10 117.16 125.19 2k6p n TYR 58 Ca -0.11 -1.73 -0.12 0.00 -0.01 0.00 0.00 57.90 55.93 2k6p n TYR 58 Cb 0.43 -0.75 -0.12 0.00 -0.02 0.00 0.00 39.34 38.88 2k6p n TYR 58 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2k6p s THR 59 N -3.14 -0.11 0.00 -0.72 2.01 0.10 -0.57 115.64 113.22 2k6p s THR 59 Ca 0.67 0.15 -0.30 0.00 0.31 0.00 0.00 61.69 62.52 2k6p s THR 59 Cb -0.04 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 2k6p s THR 59 CO 0.44 0.06 1.12 -0.63 -0.69 0.00 0.00 174.62 174.93 2k6p s ILE 60 N 1.49 4.37 -0.19 1.82 1.01 0.27 -2.16 121.20 127.81 2k6p s ILE 60 Ca -0.08 1.70 0.22 0.00 0.00 0.00 0.00 60.65 62.50 2k6p s ILE 60 Cb -0.10 -4.09 -0.07 0.00 0.01 0.00 0.00 42.46 38.20 2k6p s ILE 60 CO -0.10 0.09 0.93 0.18 0.00 0.00 0.00 174.94 176.04 2k6p n LEU 61 N 4.31 0.67 -3.64 2.97 4.77 0.22 0.39 117.00 126.69 2k6p n LEU 61 Ca 0.09 0.26 -0.01 0.00 -0.03 0.00 0.00 56.01 56.31 2k6p n LEU 61 Cb 0.48 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.50 2k6p n LEU 61 CO 0.54 -0.15 1.20 -1.58 -1.33 0.00 0.00 177.39 176.07 2k6p s GLN 62 N -3.40 0.01 -0.66 3.23 -0.44 -1.25 -4.47 119.66 112.68 2k6p s GLN 62 Ca -0.02 -0.00 0.02 0.00 -2.50 0.00 0.00 55.36 52.85 2k6p s GLN 62 Cb 0.11 0.00 0.16 0.00 -1.64 0.00 0.00 33.01 31.64 2k6p s GLN 62 CO 0.82 -0.00 0.46 0.42 0.50 0.00 0.00 175.29 177.48 2k6p s ILE 63 N -2.01 3.27 -1.76 -2.34 -1.09 -1.26 -4.83 121.20 111.18 2k6p s ILE 63 Ca 0.12 -3.59 0.26 0.00 -2.23 0.00 0.00 60.65 55.21 2k6p s ILE 63 Cb 0.00 -3.15 0.63 0.00 -1.58 0.00 0.00 42.46 38.37 2k6p s ILE 63 CO -0.03 -0.93 1.92 -0.81 -1.23 0.00 0.00 174.94 173.86 2k6p n PRO 64 N 2.75 0.64 -2.39 2.79 -0.04 -1.26 -4.82 135.00 132.67 2k6p n PRO 64 Ca 0.13 0.02 -0.14 0.00 -0.04 0.00 0.00 63.50 63.47 2k6p n PRO 64 Cb 0.35 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 2k6p n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k6p n ALA 65 N -1.12 -0.46 -0.75 0.55 0.00 -1.26 -4.99 120.51 112.47 2k6p n ALA 65 Ca 0.17 0.13 -0.28 0.00 0.00 0.00 0.00 53.44 53.46 2k6p n ALA 65 Cb 0.14 -1.91 0.23 0.00 0.00 0.00 0.00 19.45 17.92 2k6p n ALA 65 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2k6p s LEU 66 N -4.04 0.93 0.00 0.00 2.34 -1.26 -4.98 118.68 111.67 2k6p s LEU 66 Ca 0.06 1.34 0.00 0.00 0.06 0.00 0.00 54.13 55.58 2k6p s LEU 66 Cb -0.02 -3.30 0.00 0.00 -0.56 0.00 0.00 46.19 42.31 2k6p s LEU 66 CO 0.07 -3.95 0.00 1.17 -1.06 0.00 0.00 176.35 172.58 2k6p n LYS 67 N -4.73 0.00 -2.75 1.48 4.81 -1.26 -4.93 118.16 110.78 2k6p n LYS 67 Ca 0.04 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.41 2k6p n LYS 67 Cb 0.56 -0.55 0.03 0.00 0.02 0.00 0.00 35.03 35.09 2k6p n LYS 67 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2k6p n ASN 68 N -2.35 -3.04 -4.67 3.14 6.94 -1.26 -4.68 115.26 109.33 2k6p n ASN 68 Ca 0.00 -3.02 -0.43 0.00 -0.02 0.00 0.00 54.58 51.11 2k6p n ASN 68 Cb 0.27 1.73 -0.02 0.00 -2.36 0.00 0.00 39.78 39.40 2k6p n ASN 68 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2k6p s VAL 69 N 0.76 4.53 0.00 3.53 1.01 -1.12 -5.04 120.40 124.08 2k6p s VAL 69 Ca 0.31 1.84 0.00 0.00 0.00 0.00 0.00 61.98 64.12 2k6p s VAL 69 Cb 0.13 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.33 2k6p s VAL 69 CO -0.16 -0.08 0.00 -2.65 0.00 0.00 0.00 175.10 172.21 2k6p n PRO 70 N 5.76 0.55 -3.17 2.72 -0.02 -1.26 -4.63 135.00 134.95 2k6p n PRO 70 Ca 0.11 0.00 -0.46 0.00 -2.02 0.00 0.00 63.50 61.14 2k6p n PRO 70 Cb 0.47 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.92 2k6p n PRO 70 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2k6p s ARG 71 N -0.72 3.62 0.10 -0.52 3.00 -1.26 -4.31 118.95 118.86 2k6p s ARG 71 Ca 0.00 -2.20 0.00 0.00 -1.00 0.00 0.00 55.73 52.53 2k6p s ARG 71 Cb 0.00 -4.63 0.00 0.00 0.00 0.00 0.00 34.95 30.32 2k6p s ARG 71 CO 0.00 -1.48 0.00 1.17 0.00 0.00 0.00 175.30 174.99 2k6p n LYS 72 N 4.97 0.00 -0.85 5.12 4.81 -1.26 -4.96 118.16 125.99 2k6p n LYS 72 Ca 0.18 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.56 2k6p n LYS 72 Cb 0.48 0.00 0.20 0.00 0.02 0.00 0.00 35.03 35.73 2k6p n LYS 72 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k6p n ASP 73 N -2.55 2.67 -1.90 3.14 8.00 -1.26 -4.60 116.55 120.04 2k6p n ASP 73 Ca 0.00 -3.74 -0.19 0.00 0.71 0.00 0.00 54.79 51.57 2k6p n ASP 73 Cb 0.00 -0.66 0.17 0.00 -0.02 0.00 0.00 41.12 40.61 2k6p n ASP 73 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2k6p n THR 74 N -1.10 3.03 -0.09 -3.53 5.66 -1.26 -4.25 114.28 112.74 2k6p n THR 74 Ca 0.36 -2.36 0.00 0.00 -3.05 0.00 0.00 64.05 59.00 2k6p n THR 74 Cb 1.11 -0.52 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 2k6p n THR 74 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 2k6p n HIS 75 N -1.11 0.00 -1.02 1.09 -0.00 -1.26 -4.65 115.22 108.27 2k6p n HIS 75 Ca 0.52 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 58.31 2k6p n HIS 75 Cb 1.35 0.00 0.27 0.00 -0.00 0.00 0.00 29.99 31.61 2k6p n HIS 75 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2k6p n LEU 76 N -0.11 4.05 -0.01 0.27 4.77 -1.26 -4.47 117.00 120.23 2k6p n LEU 76 Ca 0.00 -3.07 -0.01 0.00 -0.03 0.00 0.00 56.01 52.90 2k6p n LEU 76 Cb 0.02 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 40.53 2k6p n LEU 76 CO 0.00 0.71 -0.59 -1.22 -1.33 0.00 0.00 177.39 174.96 2k6p n TYR 77 N -0.49 0.00 -3.71 -1.77 4.01 -1.26 -4.57 117.16 109.37 2k6p n TYR 77 Ca 0.23 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.85 2k6p n TYR 77 Cb 0.93 -0.14 -0.10 0.00 -0.31 0.00 0.00 39.34 39.73 2k6p n TYR 77 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2k6p s ILE 78 N -2.07 -0.01 0.00 -0.72 2.07 -1.26 0.68 121.20 119.90 2k6p s ILE 78 Ca -0.01 0.02 -0.09 0.00 -1.41 0.00 0.00 60.65 59.16 2k6p s ILE 78 Cb 0.01 -0.64 0.00 0.00 0.13 0.00 0.00 42.46 41.96 2k6p s ILE 78 CO 0.11 0.01 0.17 0.00 -1.91 0.00 0.00 174.94 173.32 2k6p s ALA 79 N 0.54 -0.40 -0.44 1.50 0.00 -0.92 -4.83 121.76 117.21 2k6p s ALA 79 Ca -0.02 -0.07 -0.28 0.00 0.00 0.00 0.00 51.96 51.59 2k6p s ALA 79 Cb -0.04 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 2k6p s ALA 79 CO -0.03 -0.22 1.84 -1.25 0.00 0.00 0.00 175.76 176.09 2k6p s PRO 80 N -1.43 3.04 0.20 0.00 0.04 -1.26 0.03 135.00 135.61 2k6p s PRO 80 Ca -0.14 1.13 -0.32 0.00 0.04 0.00 0.00 61.00 61.70 2k6p s PRO 80 Cb -0.07 -4.28 -0.12 0.00 0.04 0.00 0.00 34.50 30.08 2k6p s PRO 80 CO 0.02 -2.22 1.75 1.17 0.04 0.00 0.00 177.00 177.75 2k6p n LYS 81 N 8.71 2.80 -3.86 4.56 4.81 0.29 -4.91 118.16 130.55 2k6p n LYS 81 Ca 0.22 1.01 -0.18 0.00 -0.87 0.00 0.00 58.31 58.50 2k6p n LYS 81 Cb 0.49 -2.87 -0.16 0.00 0.02 0.00 0.00 35.03 32.51 2k6p n LYS 81 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2k6p s THR 82 N 1.41 0.12 -0.05 3.15 -4.23 -1.26 -4.69 115.64 110.09 2k6p s THR 82 Ca 0.76 0.15 -0.06 0.00 -1.18 0.00 0.00 61.69 61.36 2k6p s THR 82 Cb -0.50 -0.25 0.01 0.00 1.34 0.00 0.00 72.50 73.11 2k6p s THR 82 CO 0.33 0.15 0.17 -0.54 -0.54 0.00 0.00 174.62 174.18 2k6p s LYS 83 N 1.25 0.26 0.00 3.99 1.02 -1.26 -5.27 119.74 119.73 2k6p s LYS 83 Ca -0.07 0.10 0.31 0.00 0.02 0.00 0.00 55.97 56.33 2k6p s LYS 83 Cb -0.13 0.12 1.59 0.00 -0.52 0.00 0.00 37.83 38.89 2k6p s LYS 83 CO -0.02 -0.04 2.05 -1.91 -0.92 0.00 0.00 175.35 174.50