#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6w h SER 2 N 0.00 0.00 -4.75 1.61 0.02 -2.06 -3.48 113.55 104.88 2k6w h SER 2 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 2k6w h SER 2 Cb 0.00 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.42 2k6w h SER 2 CO 0.00 0.19 -0.44 0.49 -1.14 0.00 0.00 176.83 175.93 2k6w n PHE 3 N -3.01 0.06 -1.96 3.45 3.01 -1.26 -5.10 117.46 112.64 2k6w n PHE 3 Ca 0.01 -2.49 -0.43 0.00 1.01 0.00 0.00 57.45 55.55 2k6w n PHE 3 Cb 0.62 0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 40.08 2k6w n PHE 3 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2k6w s THR 4 N -3.02 3.48 0.37 4.37 -4.23 -1.26 -4.99 115.64 110.35 2k6w s THR 4 Ca 0.21 0.54 0.05 0.00 -1.18 0.00 0.00 61.69 61.30 2k6w s THR 4 Cb 0.01 -3.49 -0.02 0.00 1.34 0.00 0.00 72.50 70.34 2k6w s THR 4 CO 0.15 -0.21 0.17 -0.62 -0.54 0.00 0.00 174.62 173.58 2k6w n GLU 5 N 7.84 0.54 -4.37 3.99 1.02 -1.26 -4.84 120.64 123.56 2k6w n GLU 5 Ca 0.21 -3.26 -0.19 0.00 -0.02 0.00 0.00 57.16 53.90 2k6w n GLU 5 Cb 0.45 2.00 -0.10 0.00 -0.02 0.00 0.00 31.44 33.76 2k6w n GLU 5 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2k6w s GLY 6 N -3.34 1.69 0.05 0.62 0.00 -1.26 -2.79 107.32 102.27 2k6w s GLY 6 Ca 0.24 -1.83 -0.28 0.00 0.00 0.00 0.00 44.72 42.85 2k6w s GLY 6 CO 0.17 -1.73 0.91 0.66 0.00 0.00 0.00 173.10 173.11 2k6w s TRP 7 N -3.28 -0.27 -0.04 1.90 -2.14 -1.07 -4.30 118.94 109.74 2k6w s TRP 7 Ca 0.29 0.09 0.04 0.00 2.66 0.00 0.00 56.10 59.18 2k6w s TRP 7 Cb 0.05 0.57 -0.00 0.00 -3.10 0.00 0.00 33.47 30.99 2k6w s TRP 7 CO 0.10 -0.63 -0.15 0.08 -2.66 0.00 0.00 176.95 173.69 2k6w s VAL 8 N -3.17 1.28 -0.09 -0.66 1.01 0.11 -1.51 120.40 117.38 2k6w s VAL 8 Ca 0.07 -0.64 -0.21 0.00 0.00 0.00 0.00 61.98 61.20 2k6w s VAL 8 Cb -0.01 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 2k6w s VAL 8 CO -0.05 0.37 0.61 0.00 0.00 0.00 0.00 175.10 176.03 2k6w s ARG 9 N 0.06 4.39 0.27 2.72 1.70 -0.77 -1.11 118.95 126.19 2k6w s ARG 9 Ca -0.03 0.70 -0.29 0.00 -0.47 0.00 0.00 55.73 55.64 2k6w s ARG 9 Cb -0.11 -3.45 -0.09 0.00 -0.57 0.00 0.00 34.95 30.73 2k6w s ARG 9 CO 0.02 0.08 0.95 0.12 -1.08 0.00 0.00 175.30 175.39 2k6w s PHE 10 N 0.82 3.87 -0.04 5.89 5.36 0.33 -4.38 117.98 129.83 2k6w s PHE 10 Ca 0.33 1.86 -0.29 0.00 -0.96 0.00 0.00 56.93 57.87 2k6w s PHE 10 Cb -0.17 -2.99 0.09 0.00 -0.34 0.00 0.00 43.02 39.61 2k6w s PHE 10 CO 0.15 0.31 0.77 -1.12 -1.46 0.00 0.00 175.22 173.86 2k6w s SER 11 N -1.29 -0.55 -1.04 6.13 0.01 -1.26 -4.63 113.70 111.07 2k6w s SER 11 Ca 0.44 0.48 -0.07 0.00 1.31 0.00 0.00 55.95 58.11 2k6w s SER 11 Cb -0.24 0.48 -0.02 0.00 0.21 0.00 0.00 66.02 66.44 2k6w s SER 11 CO 0.30 -0.59 2.84 -0.81 0.41 0.00 0.00 173.24 175.39 2k6w n PRO 12 N 0.59 3.50 -4.57 12.44 -0.04 -1.26 -4.39 135.00 141.27 2k6w n PRO 12 Ca -0.16 -2.46 -0.27 0.00 -0.04 0.00 0.00 63.50 60.57 2k6w n PRO 12 Cb 0.59 -2.49 -0.09 0.00 -0.04 0.00 0.00 33.50 31.47 2k6w n PRO 12 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k6w s GLY 13 N 1.20 2.55 0.23 0.55 0.00 -1.26 -5.05 107.32 105.54 2k6w s GLY 13 Ca 0.62 -1.39 0.26 0.00 0.00 0.00 0.00 44.72 44.20 2k6w s GLY 13 CO -0.09 -1.95 1.76 -0.56 0.00 0.00 0.00 173.10 172.26 2k6w h PRO 14 N 1.77 0.00 -3.77 2.90 0.13 -1.96 -3.44 132.00 127.63 2k6w h PRO 14 Ca -0.40 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.60 2k6w h PRO 14 Cb 1.27 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.22 2k6w h PRO 14 CO 0.68 0.00 -0.52 0.54 -0.23 0.00 0.00 178.00 178.47 2k6w s ASN 15 N -4.65 0.16 0.38 1.44 4.22 -1.26 -1.78 114.94 113.44 2k6w s ASN 15 Ca 0.10 -0.50 -0.09 0.00 -2.14 0.00 0.00 52.86 50.23 2k6w s ASN 15 Cb 0.11 0.23 0.04 0.00 1.28 0.00 0.00 41.25 42.91 2k6w s ASN 15 CO 0.59 -0.49 0.67 0.00 -2.04 0.00 0.00 177.10 175.82 2k6w n ALA 16 N 0.84 -1.18 -2.64 3.54 0.00 -0.65 -4.90 120.51 115.51 2k6w n ALA 16 Ca -0.19 -1.43 -0.20 0.00 0.00 0.00 0.00 53.44 51.62 2k6w n ALA 16 Cb 0.58 1.14 -0.15 0.00 0.00 0.00 0.00 19.45 21.03 2k6w n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k6w s ALA 17 N -2.38 0.94 -0.06 0.00 0.00 -1.26 -1.18 121.76 117.81 2k6w s ALA 17 Ca 0.22 -0.51 -0.02 0.00 0.00 0.00 0.00 51.96 51.64 2k6w s ALA 17 Cb -0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 2k6w s ALA 17 CO 0.16 0.22 0.04 0.00 0.00 0.00 0.00 175.76 176.18 2k6w s ALA 18 N -0.33 3.43 0.23 0.00 0.00 -0.68 -1.86 121.76 122.57 2k6w s ALA 18 Ca 0.04 -0.81 0.11 0.00 0.00 0.00 0.00 51.96 51.29 2k6w s ALA 18 Cb -0.05 -1.56 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 2k6w s ALA 18 CO -0.00 0.62 -0.16 0.71 0.00 0.00 0.00 175.76 176.93 2k6w s TYR 19 N -0.99 2.43 -0.17 0.00 2.02 -0.57 -1.79 117.35 118.28 2k6w s TYR 19 Ca 0.16 -0.30 -0.29 0.00 -0.37 0.00 0.00 57.07 56.27 2k6w s TYR 19 Cb -0.12 -1.13 0.12 0.00 -0.40 0.00 0.00 41.96 40.44 2k6w s TYR 19 CO 0.06 0.60 0.96 -0.48 -1.57 0.00 0.00 175.55 175.12 2k6w s LEU 20 N -3.17 -0.42 0.28 -1.29 2.34 -1.05 -2.59 118.68 112.77 2k6w s LEU 20 Ca 0.27 0.54 -0.29 0.00 0.06 0.00 0.00 54.13 54.70 2k6w s LEU 20 Cb -0.07 1.96 -0.09 0.00 -0.56 0.00 0.00 46.19 47.42 2k6w s LEU 20 CO 0.14 -0.34 1.06 -0.89 -1.06 0.00 0.00 176.35 175.26 2k6w s THR 21 N -0.86 3.65 -0.13 5.48 2.01 -1.12 -0.14 115.64 124.53 2k6w s THR 21 Ca -0.02 1.64 -0.07 0.00 0.31 0.00 0.00 61.69 63.55 2k6w s THR 21 Cb -0.01 -4.03 0.05 0.00 0.01 0.00 0.00 72.50 68.52 2k6w s THR 21 CO 0.01 0.37 0.30 -0.22 -0.69 0.00 0.00 174.62 174.40 2k6w s LEU 22 N -1.45 0.27 0.05 4.42 1.98 -0.34 -4.74 118.68 118.86 2k6w s LEU 22 Ca 0.44 0.65 0.01 0.00 -2.89 0.00 0.00 54.13 52.35 2k6w s LEU 22 Cb -0.30 0.96 -0.03 0.00 0.66 0.00 0.00 46.19 47.48 2k6w s LEU 22 CO 0.38 -0.17 -0.06 -1.83 -1.89 0.00 0.00 176.35 172.77 2k6w s GLU 23 N 1.24 0.55 -0.47 1.98 -1.05 -1.26 -0.68 118.70 119.02 2k6w s GLU 23 Ca -0.09 -0.88 -0.12 0.00 -0.15 0.00 0.00 54.97 53.74 2k6w s GLU 23 Cb -0.09 -0.17 0.10 0.00 -0.44 0.00 0.00 34.13 33.53 2k6w s GLU 23 CO -0.09 0.01 0.36 1.21 0.95 0.00 0.00 175.26 177.69 2k6w s ASN 24 N -1.94 5.86 0.00 0.83 3.84 -0.11 -4.95 114.94 118.48 2k6w s ASN 24 Ca -0.06 -1.65 0.29 0.00 0.21 0.00 0.00 52.86 51.65 2k6w s ASN 24 Cb -0.06 -2.08 1.28 0.00 -0.55 0.00 0.00 41.25 39.84 2k6w s ASN 24 CO -0.02 -0.67 1.94 -0.81 -2.79 0.00 0.00 177.10 174.75 2k6w n PRO 25 N 5.03 0.08 -0.19 0.43 -0.04 -1.26 -0.50 135.00 138.55 2k6w n PRO 25 Ca -0.11 0.01 -0.01 0.00 -0.04 0.00 0.00 63.50 63.35 2k6w n PRO 25 Cb 0.42 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.39 2k6w n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k6w n GLY 26 N 1.42 -0.81 0.00 0.55 0.00 -1.26 -4.77 105.19 100.31 2k6w n GLY 26 Ca 0.08 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2k6w n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k6w n ASP 27 N -3.03 1.91 -4.41 1.61 9.92 -1.26 -3.51 116.55 117.78 2k6w n ASP 27 Ca 0.01 -1.95 -0.22 0.00 -0.53 0.00 0.00 54.79 52.10 2k6w n ASP 27 Cb 0.03 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.40 2k6w n ASP 27 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 2k6w s LEU 28 N -0.95 2.56 0.45 0.64 0.05 -1.26 -4.85 118.68 115.31 2k6w s LEU 28 Ca 0.00 -1.01 -0.15 0.00 0.05 0.00 0.00 54.13 53.02 2k6w s LEU 28 Cb 0.00 -0.93 -0.08 0.00 -2.05 0.00 0.00 46.19 43.13 2k6w s LEU 28 CO 0.00 -0.04 0.88 -2.16 -0.55 0.00 0.00 176.35 174.48 2k6w s PRO 29 N -3.47 3.93 -0.03 1.48 0.04 -1.26 -3.83 135.00 131.87 2k6w s PRO 29 Ca 0.26 0.78 0.02 0.00 0.04 0.00 0.00 61.00 62.11 2k6w s PRO 29 Cb -0.04 -2.26 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 2k6w s PRO 29 CO 0.11 -0.12 -0.08 -0.51 0.04 0.00 0.00 177.00 176.45 2k6w s LEU 30 N -3.77 3.11 -0.21 -3.56 1.02 -0.00 -4.95 118.68 110.32 2k6w s LEU 30 Ca 0.56 -0.11 -0.04 0.00 0.02 0.00 0.00 54.13 54.56 2k6w s LEU 30 Cb -0.10 -1.73 0.08 0.00 0.02 0.00 0.00 46.19 44.45 2k6w s LEU 30 CO 0.28 0.32 0.14 -0.60 0.02 0.00 0.00 176.35 176.50 2k6w s ARG 31 N -1.12 0.13 -0.18 1.70 3.52 -1.26 -0.15 118.95 121.58 2k6w s ARG 31 Ca 0.15 -0.12 -0.13 0.00 -0.13 0.00 0.00 55.73 55.50 2k6w s ARG 31 Cb -0.11 -1.51 -0.05 0.00 -1.56 0.00 0.00 34.95 31.72 2k6w s ARG 31 CO 0.04 -0.76 0.25 -1.17 -0.81 0.00 0.00 175.30 172.86 2k6w s LEU 32 N 2.18 4.21 0.00 -0.88 0.20 0.67 -0.62 118.68 124.45 2k6w s LEU 32 Ca 0.05 0.40 0.00 0.00 0.69 0.00 0.00 54.13 55.26 2k6w s LEU 32 Cb -0.16 -2.29 0.00 0.00 -0.43 0.00 0.00 46.19 43.31 2k6w s LEU 32 CO -0.16 0.10 0.00 1.33 -0.29 0.00 0.00 176.35 177.33 2k6w n VAL 33 N 3.70 0.00 -3.19 1.68 0.24 0.45 -1.12 118.33 120.09 2k6w n VAL 33 Ca -0.13 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 2k6w n VAL 33 Cb 0.52 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 2k6w n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k6w n GLY 34 N 0.55 -0.60 1.57 7.63 0.00 -1.16 -4.74 105.19 108.44 2k6w n GLY 34 Ca 0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 46.02 45.27 2k6w n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k6w n ALA 35 N 0.00 -0.53 -3.28 4.61 0.00 -1.26 -0.66 120.51 119.39 2k6w n ALA 35 Ca 0.00 -0.61 -0.13 0.00 0.00 0.00 0.00 53.44 52.70 2k6w n ALA 35 Cb 0.00 0.49 -0.09 0.00 0.00 0.00 0.00 19.45 19.85 2k6w n ALA 35 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k6w s ARG 36 N -2.16 0.58 0.02 0.00 1.81 -0.47 -4.82 118.95 113.91 2k6w s ARG 36 Ca 0.09 0.21 -0.02 0.00 -1.72 0.00 0.00 55.73 54.29 2k6w s ARG 36 Cb -0.01 0.27 -0.02 0.00 -0.45 0.00 0.00 34.95 34.74 2k6w s ARG 36 CO 0.07 -0.13 0.01 -0.08 -0.68 0.00 0.00 175.30 174.49 2k6w s THR 37 N -0.53 0.12 0.30 0.02 -1.32 -1.26 -0.41 115.64 112.55 2k6w s THR 37 Ca -0.06 -0.97 0.32 0.00 -1.21 0.00 0.00 61.69 59.76 2k6w s THR 37 Cb -0.04 -0.45 0.35 0.00 -1.51 0.00 0.00 72.50 70.85 2k6w s THR 37 CO 0.03 -0.53 2.05 1.55 -2.21 0.00 0.00 174.62 175.51 2k6w h PRO 38 N 4.38 0.00 -0.06 7.08 0.13 -2.00 -3.31 132.00 138.21 2k6w h PRO 38 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2k6w h PRO 38 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k6w h PRO 38 CO 0.44 0.07 0.00 1.33 -0.23 0.00 0.00 178.00 179.61 2k6w n VAL 39 N -3.31 0.07 -4.01 1.56 0.24 -1.26 -4.69 118.33 106.94 2k6w n VAL 39 Ca -0.01 -0.16 -0.12 0.00 -2.04 0.00 0.00 64.34 62.01 2k6w n VAL 39 Cb 0.26 0.03 -0.03 0.00 -1.47 0.00 0.00 33.84 32.63 2k6w n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k6w s ALA 40 N -1.93 0.17 0.00 2.33 0.00 -1.25 -1.02 121.76 120.07 2k6w s ALA 40 Ca 0.34 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2k6w s ALA 40 Cb 0.17 1.04 0.00 0.00 0.00 0.00 0.00 23.12 24.33 2k6w s ALA 40 CO 0.27 -0.85 0.00 -1.91 0.00 0.00 0.00 175.76 173.28 2k6w n GLU 41 N -0.50 0.00 -2.44 0.00 4.07 -0.82 -4.77 120.64 116.18 2k6w n GLU 41 Ca -0.02 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.68 2k6w n GLU 41 Cb 0.61 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.96 2k6w n GLU 41 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 2k6w s ARG 42 N 0.00 3.10 0.09 5.31 3.52 -0.80 -4.90 118.95 125.27 2k6w s ARG 42 Ca 0.00 -0.00 -0.28 0.00 -0.13 0.00 0.00 55.73 55.32 2k6w s ARG 42 Cb 0.00 -4.21 -0.06 0.00 -1.56 0.00 0.00 34.95 29.12 2k6w s ARG 42 CO 0.00 -2.23 0.87 0.54 -0.81 0.00 0.00 175.30 173.66 2k6w s VAL 43 N 6.40 4.58 0.05 7.11 0.11 -1.26 -1.06 120.40 136.33 2k6w s VAL 43 Ca 0.43 1.86 0.05 0.00 -2.93 0.00 0.00 61.98 61.39 2k6w s VAL 43 Cb -0.09 -4.23 -0.02 0.00 -1.53 0.00 0.00 36.38 30.51 2k6w s VAL 43 CO 0.17 0.35 -0.14 -1.61 -3.33 0.00 0.00 175.10 170.54 2k6w s GLU 44 N -0.12 0.90 -0.21 1.54 2.02 -0.09 -4.96 118.70 117.78 2k6w s GLU 44 Ca 0.43 -0.85 -0.17 0.00 0.02 0.00 0.00 54.97 54.40 2k6w s GLU 44 Cb -0.22 -0.92 -0.03 0.00 0.10 0.00 0.00 34.13 33.06 2k6w s GLU 44 CO 0.27 0.22 0.47 -1.17 0.02 0.00 0.00 175.26 175.07 2k6w s LEU 45 N -1.39 4.14 0.15 1.80 0.20 -1.26 -0.38 118.68 121.93 2k6w s LEU 45 Ca 0.00 0.60 0.08 0.00 0.69 0.00 0.00 54.13 55.50 2k6w s LEU 45 Cb -0.09 -2.63 -0.04 0.00 -0.43 0.00 0.00 46.19 43.00 2k6w s LEU 45 CO 0.02 -0.15 -0.10 -1.00 -0.29 0.00 0.00 176.35 174.82 2k6w s HIS 46 N 1.59 2.66 0.38 5.38 3.76 -0.10 -0.97 115.29 127.99 2k6w s HIS 46 Ca 0.22 -0.20 0.06 0.00 -0.15 0.00 0.00 55.06 54.98 2k6w s HIS 46 Cb -0.15 -1.34 -0.00 0.00 1.11 0.00 0.00 32.58 32.19 2k6w s HIS 46 CO 0.09 0.47 0.53 -1.83 -0.85 0.00 0.00 174.74 173.15 2k6w s GLU 47 N -2.55 3.02 -0.17 1.40 -1.05 0.18 -0.49 118.70 119.03 2k6w s GLU 47 Ca 0.23 -0.98 0.00 0.00 -0.15 0.00 0.00 54.97 54.07 2k6w s GLU 47 Cb -0.10 -2.76 0.03 0.00 -0.44 0.00 0.00 34.13 30.87 2k6w s GLU 47 CO 0.14 -0.10 -0.12 0.99 0.95 0.00 0.00 175.26 177.13 2k6w s THR 48 N -2.29 1.52 0.40 1.83 2.01 -0.16 -2.53 115.64 116.42 2k6w s THR 48 Ca 0.48 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.74 2k6w s THR 48 Cb -0.10 -1.52 0.00 0.00 0.01 0.00 0.00 72.50 70.90 2k6w s THR 48 CO 0.33 0.32 0.01 2.22 -0.69 0.00 0.00 174.62 176.81 2k6w n PHE 49 N 4.76 0.87 -4.12 4.92 1.16 -0.15 -3.71 117.46 121.20 2k6w n PHE 49 Ca -0.15 -1.97 -0.09 0.00 -1.87 0.00 0.00 57.45 53.36 2k6w n PHE 49 Cb 0.49 -0.27 -0.10 0.00 -1.61 0.00 0.00 39.48 37.99 2k6w n PHE 49 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2k6w s MET 50 N -3.46 0.81 0.15 3.97 0.23 -1.26 -1.01 119.30 118.73 2k6w s MET 50 Ca 0.01 -1.34 -0.25 0.00 -1.03 0.00 0.00 55.69 53.08 2k6w s MET 50 Cb -0.00 0.24 0.06 0.00 -1.53 0.00 0.00 34.83 33.60 2k6w s MET 50 CO 0.01 -0.21 0.85 1.03 -2.03 0.00 0.00 175.02 174.66 2k6w s ARG 51 N -3.99 1.27 -0.14 3.16 0.52 -0.22 -4.95 118.95 114.60 2k6w s ARG 51 Ca 0.17 -0.65 -0.09 0.00 -0.52 0.00 0.00 55.73 54.64 2k6w s ARG 51 Cb 0.08 0.47 -0.05 0.00 0.52 0.00 0.00 34.95 35.97 2k6w s ARG 51 CO -0.03 -0.58 0.17 -2.00 0.02 0.00 0.00 175.30 172.88 2k6w s GLU 52 N -3.46 3.82 0.00 3.54 2.12 -1.26 -0.42 118.70 123.04 2k6w s GLU 52 Ca 0.09 -0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.32 2k6w s GLU 52 Cb -0.02 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 31.07 2k6w s GLU 52 CO -0.01 0.55 0.00 0.28 -0.54 0.00 0.00 175.26 175.54 2k6w n VAL 53 N 2.68 0.00 -1.44 3.70 0.31 -0.22 -4.83 118.33 118.54 2k6w n VAL 53 Ca -0.17 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.76 2k6w n VAL 53 Cb 0.53 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.45 2k6w n VAL 53 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k6w n GLU 54 N 0.00 2.67 0.00 5.55 4.71 -1.26 -4.58 120.64 127.73 2k6w n GLU 54 Ca 0.00 -2.26 0.00 0.00 -0.01 0.00 0.00 57.16 54.89 2k6w n GLU 54 Cb 0.00 -3.04 0.00 0.00 -1.01 0.00 0.00 31.44 27.39 2k6w n GLU 54 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2k6w n GLY 55 N 4.06 1.43 3.73 0.62 0.00 -1.26 -4.95 105.19 108.82 2k6w n GLY 55 Ca 0.56 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.17 2k6w n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k6w s LYS 56 N 0.00 4.53 -0.14 1.61 -2.85 -1.26 -4.94 119.74 116.69 2k6w s LYS 56 Ca 0.00 1.74 -0.19 0.00 -1.00 0.00 0.00 55.97 56.52 2k6w s LYS 56 Cb 0.00 -3.30 -0.04 0.00 -2.06 0.00 0.00 37.83 32.43 2k6w s LYS 56 CO 0.00 -0.05 0.53 0.15 0.10 0.00 0.00 175.35 176.08 2k6w s LYS 57 N 0.11 4.29 0.02 1.78 3.01 -1.26 -1.05 119.74 126.64 2k6w s LYS 57 Ca 0.53 0.50 -0.08 0.00 -1.01 0.00 0.00 55.97 55.91 2k6w s LYS 57 Cb -0.29 -3.49 -0.00 0.00 -1.01 0.00 0.00 37.83 33.04 2k6w s LYS 57 CO 0.33 0.02 0.15 0.08 0.51 0.00 0.00 175.35 176.44 2k6w s VAL 58 N 1.07 0.10 0.58 3.17 1.01 0.44 -4.99 120.40 121.79 2k6w s VAL 58 Ca 0.27 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 2k6w s VAL 58 Cb -0.16 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 2k6w s VAL 58 CO 0.11 -0.47 0.93 0.00 0.00 0.00 0.00 175.10 175.67 2k6w s MET 59 N -2.03 3.26 0.30 2.72 0.23 -1.26 -1.05 119.30 121.46 2k6w s MET 59 Ca -0.10 0.32 -0.15 0.00 -1.03 0.00 0.00 55.69 54.74 2k6w s MET 59 Cb -0.04 -2.21 0.02 0.00 -1.53 0.00 0.00 34.83 31.06 2k6w s MET 59 CO -0.01 -0.58 0.62 0.20 -2.03 0.00 0.00 175.02 173.21 2k6w s GLY 60 N -4.22 0.43 0.06 3.16 0.00 -0.18 -4.91 107.32 101.66 2k6w s GLY 60 Ca 0.53 -0.76 0.01 0.00 0.00 0.00 0.00 44.72 44.50 2k6w s GLY 60 CO 0.48 -0.45 -0.06 1.06 0.00 0.00 0.00 173.10 174.14 2k6w s MET 61 N -3.51 0.60 -0.11 2.90 -1.94 -1.26 -0.98 119.30 115.01 2k6w s MET 61 Ca 0.19 -0.98 -0.30 0.00 -1.71 0.00 0.00 55.69 52.88 2k6w s MET 61 Cb -0.03 -0.14 0.12 0.00 2.01 0.00 0.00 34.83 36.79 2k6w s MET 61 CO 0.10 -0.01 0.98 -0.98 -0.01 0.00 0.00 175.02 175.10 2k6w s ARG 62 N -2.60 0.65 0.61 2.03 1.70 -1.05 -5.00 118.95 115.29 2k6w s ARG 62 Ca -0.02 -0.02 -0.17 0.00 -0.47 0.00 0.00 55.73 55.05 2k6w s ARG 62 Cb -0.03 0.30 -0.02 0.00 -0.57 0.00 0.00 34.95 34.63 2k6w s ARG 62 CO -0.03 -0.24 1.14 -1.25 -1.08 0.00 0.00 175.30 173.84 2k6w s PRO 63 N -1.88 2.98 0.04 3.89 0.05 -1.26 -0.65 135.00 138.17 2k6w s PRO 63 Ca 0.01 1.56 0.02 0.00 0.05 0.00 0.00 61.00 62.65 2k6w s PRO 63 Cb -0.01 -1.96 -0.02 0.00 0.05 0.00 0.00 34.50 32.56 2k6w s PRO 63 CO -0.02 -1.14 -0.08 0.14 0.05 0.00 0.00 177.00 175.95 2k6w s VAL 64 N -2.00 0.53 -0.31 -0.36 -7.23 -0.14 -4.79 120.40 106.12 2k6w s VAL 64 Ca 0.71 -1.03 0.27 0.00 -1.81 0.00 0.00 61.98 60.12 2k6w s VAL 64 Cb -0.24 -0.59 0.35 0.00 0.56 0.00 0.00 36.38 36.45 2k6w s VAL 64 CO 0.35 -0.35 1.75 1.55 -0.31 0.00 0.00 175.10 178.09 2k6w h PRO 65 N 4.59 0.00 -1.84 4.82 0.13 -1.94 -3.42 132.00 134.35 2k6w h PRO 65 Ca -0.35 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 65.05 2k6w h PRO 65 Cb 1.20 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.23 2k6w h PRO 65 CO 0.41 0.00 0.72 -0.59 -0.23 0.00 0.00 178.00 178.31 2k6w s PHE 66 N -3.35 -0.05 0.28 1.56 -0.71 -1.26 -4.67 117.98 109.78 2k6w s PHE 66 Ca 0.05 -0.13 0.00 0.00 -1.04 0.00 0.00 56.93 55.81 2k6w s PHE 66 Cb 0.07 0.59 -0.02 0.00 -1.21 0.00 0.00 43.02 42.45 2k6w s PHE 66 CO 0.60 -0.48 0.30 -0.48 -1.34 0.00 0.00 175.22 173.83 2k6w s LEU 67 N -3.08 1.23 0.25 -1.99 0.05 -0.27 -5.01 118.68 109.86 2k6w s LEU 67 Ca 0.16 -1.49 -0.17 0.00 0.05 0.00 0.00 54.13 52.68 2k6w s LEU 67 Cb 0.02 0.85 0.01 0.00 -2.05 0.00 0.00 46.19 45.03 2k6w s LEU 67 CO -0.01 -1.06 0.57 -1.83 -0.55 0.00 0.00 176.35 173.47 2k6w s GLU 68 N -3.63 1.59 -0.13 1.48 -1.05 -1.26 -0.24 118.70 115.46 2k6w s GLU 68 Ca 0.36 -1.08 -0.11 0.00 -0.15 0.00 0.00 54.97 53.99 2k6w s GLU 68 Cb 0.03 0.53 0.04 0.00 -0.44 0.00 0.00 34.13 34.29 2k6w s GLU 68 CO 0.19 -0.69 0.35 0.08 0.95 0.00 0.00 175.26 176.14 2k6w s VAL 69 N -3.95 -0.01 1.01 1.83 1.01 0.79 -4.96 120.40 116.12 2k6w s VAL 69 Ca 0.16 0.03 -0.14 0.00 0.00 0.00 0.00 61.98 62.02 2k6w s VAL 69 Cb -0.03 -0.50 0.20 0.00 0.00 0.00 0.00 36.38 36.05 2k6w s VAL 69 CO 0.06 0.01 1.12 -2.16 0.00 0.00 0.00 175.10 174.13 2k6w s PRO 70 N 0.45 0.30 0.53 2.72 0.04 -1.26 -0.82 135.00 136.95 2k6w s PRO 70 Ca -0.02 0.29 -0.22 0.00 0.04 0.00 0.00 61.00 61.09 2k6w s PRO 70 Cb -0.04 -1.74 -0.05 0.00 0.04 0.00 0.00 34.50 32.71 2k6w s PRO 70 CO -0.02 -2.77 1.28 -1.25 0.04 0.00 0.00 177.00 174.28 2k6w s PRO 71 N -5.18 3.30 0.00 0.56 0.04 -1.25 -3.28 135.00 129.20 2k6w s PRO 71 Ca 0.66 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.75 2k6w s PRO 71 Cb -0.15 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.13 2k6w s PRO 71 CO 0.56 -1.00 0.00 1.63 0.04 0.00 0.00 177.00 178.23 2k6w n LYS 72 N -0.94 0.00 -3.26 4.56 4.76 0.35 -4.98 118.16 118.64 2k6w n LYS 72 Ca 0.10 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.21 2k6w n LYS 72 Cb 0.46 -3.34 -0.06 0.00 -1.84 0.00 0.00 35.03 30.26 2k6w n LYS 72 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2k6w s GLY 73 N -2.00 2.37 -0.04 0.72 0.00 -1.20 -4.80 107.32 102.36 2k6w s GLY 73 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 44.72 44.64 2k6w s GLY 73 CO 0.00 0.14 0.03 -1.60 0.00 0.00 0.00 173.10 171.67 2k6w s ARG 74 N -2.62 2.96 0.08 2.90 3.52 -1.26 -0.93 118.95 123.60 2k6w s ARG 74 Ca 0.48 -0.47 0.09 0.00 -0.13 0.00 0.00 55.73 55.70 2k6w s ARG 74 Cb -0.12 -2.79 -0.03 0.00 -1.56 0.00 0.00 34.95 30.45 2k6w s ARG 74 CO 0.19 0.67 -0.24 0.14 -0.81 0.00 0.00 175.30 175.25 2k6w s VAL 75 N -1.02 2.00 -0.20 7.11 -7.23 0.15 -4.99 120.40 116.22 2k6w s VAL 75 Ca 0.17 -1.50 -0.00 0.00 -1.81 0.00 0.00 61.98 58.85 2k6w s VAL 75 Cb -0.12 -1.76 0.05 0.00 0.56 0.00 0.00 36.38 35.12 2k6w s VAL 75 CO 0.07 0.17 -0.04 -1.61 -0.31 0.00 0.00 175.10 173.38 2k6w s GLU 76 N -1.61 1.44 -1.11 4.82 2.02 -1.26 -1.20 118.70 121.80 2k6w s GLU 76 Ca 0.11 -0.72 -0.11 0.00 0.02 0.00 0.00 54.97 54.27 2k6w s GLU 76 Cb -0.10 -2.29 -0.07 0.00 0.10 0.00 0.00 34.13 31.77 2k6w s GLU 76 CO 0.04 -0.53 2.28 1.28 0.02 0.00 0.00 175.26 178.35 2k6w n LEU 77 N 4.80 5.87 -4.82 1.80 4.32 0.80 -4.53 117.00 125.24 2k6w n LEU 77 Ca -0.12 -3.37 -0.33 0.00 -0.02 0.00 0.00 56.01 52.17 2k6w n LEU 77 Cb 0.46 -1.27 -0.06 0.00 -1.62 0.00 0.00 43.42 40.93 2k6w n LEU 77 CO 0.17 0.82 0.66 -1.59 -1.22 0.00 0.00 177.39 176.23 2k6w s LYS 78 N 3.41 4.12 0.39 3.23 -2.85 -1.10 -2.54 119.74 124.40 2k6w s LYS 78 Ca 0.51 1.11 0.10 0.00 -1.00 0.00 0.00 55.97 56.69 2k6w s LYS 78 Cb 0.13 -2.16 0.89 0.00 -2.06 0.00 0.00 37.83 34.63 2k6w s LYS 78 CO -0.02 -0.12 1.92 -1.00 0.10 0.00 0.00 175.35 176.23 2k6w h PRO 79 N 1.66 0.58 -2.45 1.78 0.13 -1.92 -1.01 132.00 130.77 2k6w h PRO 79 Ca -0.49 -0.04 -0.77 0.00 -0.87 0.00 0.00 66.00 63.84 2k6w h PRO 79 Cb 1.18 -0.13 -0.19 0.00 0.13 0.00 0.00 31.00 31.99 2k6w h PRO 79 CO 0.61 0.39 1.78 0.41 -0.23 0.00 0.00 178.00 180.96 2k6w n GLY 80 N -1.47 5.64 0.26 1.56 0.00 -1.26 -4.63 105.19 105.30 2k6w n GLY 80 Ca 0.14 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.86 2k6w n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6w n GLY 81 N 0.91 -2.20 3.32 -0.02 0.00 -0.50 -4.95 105.19 101.74 2k6w n GLY 81 Ca 0.55 0.71 -0.13 0.00 0.00 0.00 0.00 46.02 47.16 2k6w n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k6w s TYR 82 N -0.64 -0.26 0.20 1.61 2.02 -0.52 -0.99 117.35 118.77 2k6w s TYR 82 Ca 0.00 0.21 -0.23 0.00 -0.37 0.00 0.00 57.07 56.68 2k6w s TYR 82 Cb 0.00 0.21 0.05 0.00 -0.40 0.00 0.00 41.96 41.82 2k6w s TYR 82 CO 0.00 -0.57 0.86 -3.38 -1.57 0.00 0.00 175.55 170.90 2k6w s HIS 83 N -2.48 -0.15 -0.21 2.71 -3.43 0.35 -2.70 115.29 109.38 2k6w s HIS 83 Ca -0.05 -0.21 -0.13 0.00 -0.80 0.00 0.00 55.06 53.86 2k6w s HIS 83 Cb -0.01 0.67 -0.05 0.00 -1.43 0.00 0.00 32.58 31.76 2k6w s HIS 83 CO -0.02 -0.99 0.27 -0.06 -2.00 0.00 0.00 174.74 171.93 2k6w s PHE 84 N -3.54 3.37 -0.22 0.38 0.08 -0.74 -0.92 117.98 116.40 2k6w s PHE 84 Ca 0.12 0.45 -0.28 0.00 0.12 0.00 0.00 56.93 57.34 2k6w s PHE 84 Cb -0.03 -2.37 0.00 0.00 -0.57 0.00 0.00 43.02 40.05 2k6w s PHE 84 CO 0.04 0.09 0.96 -1.64 -0.10 0.00 0.00 175.22 174.58 2k6w s MET 85 N 0.96 4.26 -0.29 0.44 -1.94 0.49 -1.68 119.30 121.54 2k6w s MET 85 Ca 0.13 1.22 -0.04 0.00 -1.71 0.00 0.00 55.69 55.29 2k6w s MET 85 Cb -0.14 -3.63 0.03 0.00 2.01 0.00 0.00 34.83 33.11 2k6w s MET 85 CO 0.05 -0.54 0.03 -0.51 -0.01 0.00 0.00 175.02 174.04 2k6w s LEU 86 N 2.90 3.77 -0.08 -0.03 1.43 -0.33 -0.91 118.68 125.43 2k6w s LEU 86 Ca 0.41 -0.95 -0.02 0.00 -1.03 0.00 0.00 54.13 52.55 2k6w s LEU 86 Cb -0.16 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 2k6w s LEU 86 CO 0.08 -0.21 -0.01 -0.76 0.23 0.00 0.00 176.35 175.68 2k6w s LEU 87 N 1.39 3.52 -0.21 1.79 2.01 -0.22 -1.64 118.68 125.31 2k6w s LEU 87 Ca -0.00 0.12 -0.01 0.00 0.01 0.00 0.00 54.13 54.25 2k6w s LEU 87 Cb -0.18 -1.80 -0.01 0.00 0.01 0.00 0.00 46.19 44.21 2k6w s LEU 87 CO -0.00 0.37 0.19 0.61 1.01 0.00 0.00 176.35 178.54 2k6w n GLY 88 N 2.17 -0.18 3.68 -3.19 0.00 -0.74 -1.91 105.19 105.03 2k6w n GLY 88 Ca -0.18 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2k6w n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k6w s LEU 89 N -2.90 4.31 -0.04 0.99 1.43 -1.24 -1.94 118.68 119.29 2k6w s LEU 89 Ca 0.04 2.12 0.02 0.00 -1.03 0.00 0.00 54.13 55.28 2k6w s LEU 89 Cb -0.01 -3.55 0.13 0.00 0.03 0.00 0.00 46.19 42.79 2k6w s LEU 89 CO 0.18 -0.78 0.71 0.29 0.23 0.00 0.00 176.35 176.98 2k6w n LYS 90 N 5.88 1.62 0.00 1.70 5.02 -0.19 -4.73 118.16 127.47 2k6w n LYS 90 Ca 0.14 -0.51 0.00 0.00 -2.02 0.00 0.00 58.31 55.93 2k6w n LYS 90 Cb 0.43 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 2k6w n LYS 90 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2k6w n ARG 91 N 0.10 0.00 -1.97 1.97 1.85 -1.26 -4.98 116.66 112.36 2k6w n ARG 91 Ca 0.04 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.48 2k6w n ARG 91 Cb 0.40 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.78 2k6w n ARG 91 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2k6w s PRO 92 N -2.00 4.24 -0.09 2.89 0.04 -1.26 -4.94 135.00 133.88 2k6w s PRO 92 Ca 0.00 2.34 -0.29 0.00 0.04 0.00 0.00 61.00 63.08 2k6w s PRO 92 Cb 0.00 -3.12 -0.06 0.00 0.04 0.00 0.00 34.50 31.36 2k6w s PRO 92 CO 0.00 -0.49 1.92 -0.51 0.04 0.00 0.00 177.00 177.97 2k6w s LEU 93 N 0.02 4.07 -0.43 -3.56 2.01 -1.26 -4.88 118.68 114.65 2k6w s LEU 93 Ca 0.62 2.22 -0.28 0.00 0.01 0.00 0.00 54.13 56.70 2k6w s LEU 93 Cb -0.43 -3.53 -0.01 0.00 0.01 0.00 0.00 46.19 42.24 2k6w s LEU 93 CO 0.40 -1.30 1.66 -0.75 1.01 0.00 0.00 176.35 177.36 2k6w s LYS 94 N 4.92 3.28 -0.24 1.70 2.47 -1.26 -4.80 119.74 125.81 2k6w s LYS 94 Ca 0.86 1.04 -0.35 0.00 -1.56 0.00 0.00 55.97 55.96 2k6w s LYS 94 Cb -0.36 -4.17 -0.12 0.00 -1.46 0.00 0.00 37.83 31.73 2k6w s LYS 94 CO 0.36 -1.93 2.03 0.00 0.16 0.00 0.00 175.35 175.96 2k6w n ALA 95 N 10.21 0.88 -1.40 3.13 0.00 -1.26 -0.70 120.51 131.37 2k6w n ALA 95 Ca 0.19 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2k6w n ALA 95 Cb 0.48 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.42 2k6w n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k6w n GLY 96 N 5.42 0.99 3.03 0.00 0.00 -1.26 -5.11 105.19 108.26 2k6w n GLY 96 Ca 0.32 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 2k6w n GLY 96 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k6w n GLU 97 N -0.38 0.48 -4.29 1.61 0.28 0.12 -5.08 120.64 113.38 2k6w n GLU 97 Ca 0.00 -3.14 -0.29 0.00 -0.16 0.00 0.00 57.16 53.57 2k6w n GLU 97 Cb 0.29 2.17 -0.11 0.00 1.43 0.00 0.00 31.44 35.22 2k6w n GLU 97 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2k6w s GLU 98 N -3.34 1.84 -0.38 3.44 2.02 -1.26 -1.65 118.70 119.36 2k6w s GLU 98 Ca 0.29 -1.17 -0.21 0.00 0.02 0.00 0.00 54.97 53.89 2k6w s GLU 98 Cb 0.01 -2.14 0.01 0.00 0.10 0.00 0.00 34.13 32.12 2k6w s GLU 98 CO 0.20 0.48 0.69 0.08 0.02 0.00 0.00 175.26 176.73 2k6w s VAL 99 N -1.19 4.82 0.29 2.63 1.01 0.11 -4.87 120.40 123.20 2k6w s VAL 99 Ca 0.19 0.55 -0.29 0.00 0.00 0.00 0.00 61.98 62.43 2k6w s VAL 99 Cb -0.10 -4.16 -0.10 0.00 0.00 0.00 0.00 36.38 32.02 2k6w s VAL 99 CO 0.11 -0.43 1.37 -1.61 0.00 0.00 0.00 175.10 174.53 2k6w s GLU 100 N 2.88 4.31 -0.14 2.72 2.02 -1.26 -1.58 118.70 127.65 2k6w s GLU 100 Ca 0.26 2.25 -0.09 0.00 0.02 0.00 0.00 54.97 57.41 2k6w s GLU 100 Cb -0.14 -3.09 0.05 0.00 0.10 0.00 0.00 34.13 31.05 2k6w s GLU 100 CO 0.17 -0.30 0.34 -0.51 0.02 0.00 0.00 175.26 174.99 2k6w s LEU 101 N -1.15 0.31 -0.62 1.80 1.43 -0.47 -4.17 118.68 115.81 2k6w s LEU 101 Ca 0.54 0.73 0.01 0.00 -1.03 0.00 0.00 54.13 54.38 2k6w s LEU 101 Cb -0.41 1.13 0.16 0.00 0.03 0.00 0.00 46.19 47.10 2k6w s LEU 101 CO 0.49 -0.16 0.41 -1.81 0.23 0.00 0.00 176.35 175.50 2k6w s ASP 102 N 0.95 4.86 0.02 2.29 1.11 0.45 -0.21 116.67 126.13 2k6w s ASP 102 Ca -0.06 -3.16 -0.30 0.00 0.18 0.00 0.00 52.55 49.20 2k6w s ASP 102 Cb -0.07 -1.74 -0.06 0.00 1.07 0.00 0.00 42.92 42.12 2k6w s ASP 102 CO -0.07 -0.25 1.46 -0.76 1.18 0.00 0.00 175.17 176.73 2k6w s LEU 103 N -0.50 4.33 -0.04 1.23 1.43 -0.58 -1.36 118.68 123.18 2k6w s LEU 103 Ca 0.19 2.20 -0.14 0.00 -1.03 0.00 0.00 54.13 55.36 2k6w s LEU 103 Cb -0.19 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.41 2k6w s LEU 103 CO -0.05 -0.76 0.36 -0.76 0.23 0.00 0.00 176.35 175.37 2k6w s LEU 104 N 2.45 4.43 -0.01 1.79 1.43 0.17 -1.49 118.68 127.44 2k6w s LEU 104 Ca 0.66 0.84 0.02 0.00 -1.03 0.00 0.00 54.13 54.62 2k6w s LEU 104 Cb -0.33 -2.49 -0.00 0.00 0.03 0.00 0.00 46.19 43.39 2k6w s LEU 104 CO 0.28 0.30 -0.06 -0.36 0.23 0.00 0.00 176.35 176.74 2k6w s PHE 105 N -0.86 0.58 -0.03 0.29 0.08 -0.13 -0.41 117.98 117.51 2k6w s PHE 105 Ca 0.22 -0.12 -0.38 0.00 0.12 0.00 0.00 56.93 56.78 2k6w s PHE 105 Cb -0.16 -0.40 -0.16 0.00 -0.57 0.00 0.00 43.02 41.73 2k6w s PHE 105 CO 0.11 -0.03 1.50 0.00 -0.10 0.00 0.00 175.22 176.70 2k6w n ALA 106 N 3.08 -0.53 0.00 5.36 0.00 0.21 -3.12 120.51 125.51 2k6w n ALA 106 Ca -0.15 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2k6w n ALA 106 Cb 0.57 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.86 2k6w n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k6w n GLY 107 N 3.17 0.15 1.59 0.00 0.00 -1.26 -4.55 105.19 104.28 2k6w n GLY 107 Ca 0.21 -1.33 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 2k6w n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6w n GLY 108 N 0.00 3.14 3.73 -0.02 0.00 -1.26 -4.92 105.19 105.86 2k6w n GLY 108 Ca 0.00 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 2k6w n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k6w s LYS 109 N -1.90 4.06 -0.06 1.61 3.01 -1.18 -5.06 119.74 120.23 2k6w s LYS 109 Ca 0.32 -0.23 -0.02 0.00 -1.01 0.00 0.00 55.97 55.03 2k6w s LYS 109 Cb 0.26 -3.36 0.04 0.00 -1.01 0.00 0.00 37.83 33.76 2k6w s LYS 109 CO 0.07 0.35 0.10 0.54 0.51 0.00 0.00 175.35 176.93 2k6w s VAL 110 N 0.19 -0.14 -0.18 3.17 0.11 -1.26 -0.95 120.40 121.34 2k6w s VAL 110 Ca 0.08 0.33 0.01 0.00 -2.93 0.00 0.00 61.98 59.47 2k6w s VAL 110 Cb -0.11 -0.20 0.02 0.00 -1.53 0.00 0.00 36.38 34.56 2k6w s VAL 110 CO -0.01 0.14 -0.19 -0.76 -3.33 0.00 0.00 175.10 170.95 2k6w s LEU 111 N 1.87 2.08 0.16 2.54 2.01 -0.56 -4.95 118.68 121.84 2k6w s LEU 111 Ca -0.00 -0.64 -0.11 0.00 0.01 0.00 0.00 54.13 53.39 2k6w s LEU 111 Cb -0.12 -1.43 -0.07 0.00 0.01 0.00 0.00 46.19 44.58 2k6w s LEU 111 CO -0.04 -0.01 0.51 -1.59 1.01 0.00 0.00 176.35 176.22 2k6w s LYS 112 N 1.32 3.85 0.30 1.70 -2.85 -1.26 -1.53 119.74 121.27 2k6w s LYS 112 Ca 0.05 0.32 0.03 0.00 -1.00 0.00 0.00 55.97 55.36 2k6w s LYS 112 Cb -0.13 -2.84 -0.04 0.00 -2.06 0.00 0.00 37.83 32.76 2k6w s LYS 112 CO -0.12 0.44 0.13 0.14 0.10 0.00 0.00 175.35 176.03 2k6w s VAL 113 N -1.59 0.52 0.00 1.79 -7.23 0.71 -4.97 120.40 109.63 2k6w s VAL 113 Ca 0.40 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.60 2k6w s VAL 113 Cb -0.13 -2.56 -0.01 0.00 0.56 0.00 0.00 36.38 34.24 2k6w s VAL 113 CO 0.20 0.00 -0.07 0.54 -0.31 0.00 0.00 175.10 175.46 2k6w s VAL 114 N -3.58 0.54 -0.09 1.32 0.11 -1.26 -1.37 120.40 116.08 2k6w s VAL 114 Ca 0.35 -0.37 -0.06 0.00 -2.93 0.00 0.00 61.98 58.97 2k6w s VAL 114 Cb 0.06 -0.47 0.04 0.00 -1.53 0.00 0.00 36.38 34.47 2k6w s VAL 114 CO 0.16 0.10 0.22 -0.76 -3.33 0.00 0.00 175.10 171.48 2k6w s LEU 115 N -0.30 0.76 0.50 2.54 1.43 -0.61 -4.98 118.68 118.01 2k6w s LEU 115 Ca 0.02 0.45 -0.22 0.00 -1.03 0.00 0.00 54.13 53.35 2k6w s LEU 115 Cb -0.03 0.67 -0.07 0.00 0.03 0.00 0.00 46.19 46.79 2k6w s LEU 115 CO -0.00 -0.13 1.16 -2.16 0.23 0.00 0.00 176.35 175.45 2k6w s PRO 116 N 0.81 3.56 0.07 1.29 0.04 -1.26 0.08 135.00 139.59 2k6w s PRO 116 Ca -0.06 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 2k6w s PRO 116 Cb -0.07 -2.24 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 2k6w s PRO 116 CO -0.05 -0.71 1.00 0.08 0.04 0.00 0.00 177.00 177.36 2k6w s VAL 117 N -1.61 4.57 0.10 -0.36 1.01 -0.66 -0.71 120.40 122.74 2k6w s VAL 117 Ca 0.68 1.99 0.03 0.00 0.00 0.00 0.00 61.98 64.68 2k6w s VAL 117 Cb -0.28 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 2k6w s VAL 117 CO 0.32 0.24 -0.09 -1.61 0.00 0.00 0.00 175.10 173.96 2k6w s GLU 118 N 0.46 0.84 -1.12 2.72 2.02 -0.27 -4.42 118.70 118.93 2k6w s GLU 118 Ca 0.50 -1.19 -0.18 0.00 0.02 0.00 0.00 54.97 54.13 2k6w s GLU 118 Cb -0.23 -0.45 0.11 0.00 0.10 0.00 0.00 34.13 33.66 2k6w s GLU 118 CO 0.29 0.06 1.43 0.00 0.02 0.00 0.00 175.26 177.06 2k6w s ALA 119 N -2.68 3.44 0.00 5.21 0.00 -1.26 -0.51 121.76 125.97 2k6w s ALA 119 Ca 0.06 -2.91 0.00 0.00 0.00 0.00 0.00 51.96 49.12 2k6w s ALA 119 Cb -0.01 -4.30 0.00 0.00 0.00 0.00 0.00 23.12 18.80 2k6w s ALA 119 CO -0.01 -3.11 0.00 -2.13 0.00 0.00 0.00 175.76 170.52