#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6y n SER 2 N 0.00 0.00 0.00 1.61 2.88 -1.26 -4.94 113.62 111.91 2k6y n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2k6y n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2k6y n SER 2 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2k6y n PHE 3 N 0.00 0.00 0.00 0.66 3.01 -1.26 -4.88 117.46 114.99 2k6y n PHE 3 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2k6y n PHE 3 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2k6y n PHE 3 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2k6y n THR 4 N 0.00 0.00 -2.57 4.37 -2.24 -1.26 -5.07 114.28 107.51 2k6y n THR 4 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2k6y n THR 4 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 2k6y n THR 4 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2k6y s GLU 5 N -0.80 3.55 0.23 -0.78 8.01 -1.23 -4.74 118.70 122.93 2k6y s GLU 5 Ca 0.00 0.34 -0.17 0.00 0.01 0.00 0.00 54.97 55.16 2k6y s GLU 5 Cb 0.00 -4.00 0.02 0.00 -4.31 0.00 0.00 34.13 25.84 2k6y s GLU 5 CO 0.00 -1.63 0.55 0.20 0.01 0.00 0.00 175.26 174.38 2k6y s GLY 6 N 2.97 0.08 0.20 -1.39 0.00 -1.26 -0.30 107.32 107.61 2k6y s GLY 6 Ca 0.45 -0.41 -0.23 0.00 0.00 0.00 0.00 44.72 44.53 2k6y s GLY 6 CO 0.27 -0.33 0.77 0.66 0.00 0.00 0.00 173.10 174.47 2k6y s TRP 7 N -3.92 -0.26 -0.08 1.90 -2.14 -0.53 -4.09 118.94 109.82 2k6y s TRP 7 Ca 0.13 -0.09 0.02 0.00 2.66 0.00 0.00 56.10 58.82 2k6y s TRP 7 Cb -0.02 0.65 -0.02 0.00 -3.10 0.00 0.00 33.47 30.98 2k6y s TRP 7 CO 0.02 -1.01 -0.12 0.08 -2.66 0.00 0.00 176.95 173.27 2k6y s VAL 8 N -3.67 3.23 -0.60 -0.66 1.01 -0.22 -2.35 120.40 117.14 2k6y s VAL 8 Ca 0.09 -0.64 -0.20 0.00 0.00 0.00 0.00 61.98 61.23 2k6y s VAL 8 Cb -0.03 -2.31 0.09 0.00 0.00 0.00 0.00 36.38 34.12 2k6y s VAL 8 CO 0.01 0.57 0.76 -0.13 0.00 0.00 0.00 175.10 176.31 2k6y s ARG 9 N -0.36 3.07 -0.04 2.72 0.52 -0.99 -0.88 118.95 122.99 2k6y s ARG 9 Ca 0.04 -1.15 -0.30 0.00 -0.52 0.00 0.00 55.73 53.81 2k6y s ARG 9 Cb -0.12 -4.24 -0.05 0.00 0.52 0.00 0.00 34.95 31.06 2k6y s ARG 9 CO 0.02 -1.58 1.50 0.12 0.02 0.00 0.00 175.30 175.38 2k6y s PHE 10 N 3.04 2.49 0.19 -0.53 5.36 0.18 -3.71 117.98 125.00 2k6y s PHE 10 Ca 0.15 0.57 0.00 0.00 -0.96 0.00 0.00 56.93 56.69 2k6y s PHE 10 Cb -0.22 -3.76 -0.04 0.00 -0.34 0.00 0.00 43.02 38.66 2k6y s PHE 10 CO 0.08 -2.99 0.08 -1.12 -1.46 0.00 0.00 175.22 169.81 2k6y s SER 11 N 2.47 0.66 0.00 6.13 0.01 -1.26 -1.38 113.70 120.33 2k6y s SER 11 Ca 0.67 -1.30 0.10 0.00 1.31 0.00 0.00 55.95 56.73 2k6y s SER 11 Cb -0.32 0.25 0.57 0.00 0.21 0.00 0.00 66.02 66.73 2k6y s SER 11 CO 0.26 -0.73 1.07 -0.81 0.41 0.00 0.00 173.24 173.44 2k6y n PRO 12 N -0.26 0.60 0.00 12.44 -0.04 -1.26 -4.88 135.00 141.60 2k6y n PRO 12 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 2k6y n PRO 12 Cb 0.65 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 2k6y n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k6y n GLY 13 N 0.15 -2.86 0.00 0.55 0.00 -1.26 -4.92 105.19 96.85 2k6y n GLY 13 Ca 0.07 -1.78 0.10 0.00 0.00 0.00 0.00 46.02 44.42 2k6y n GLY 13 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k6y n PRO 14 N -0.39 0.47 -4.52 1.61 -0.04 -1.26 -4.96 135.00 125.91 2k6y n PRO 14 Ca 0.00 0.05 -0.25 0.00 -0.04 0.00 0.00 63.50 63.26 2k6y n PRO 14 Cb 0.00 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 2k6y n PRO 14 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k6y s ASN 15 N -2.28 3.46 0.06 3.54 2.20 -1.26 -1.88 114.94 118.77 2k6y s ASN 15 Ca 0.25 -1.22 -0.02 0.00 -0.94 0.00 0.00 52.86 50.93 2k6y s ASN 15 Cb 0.14 -0.30 0.01 0.00 -2.00 0.00 0.00 41.25 39.10 2k6y s ASN 15 CO 0.27 -0.28 0.12 0.00 -2.94 0.00 0.00 177.10 174.28 2k6y n ALA 16 N -0.76 -0.28 -3.18 3.54 0.00 -0.57 -4.71 120.51 114.55 2k6y n ALA 16 Ca -0.05 -0.19 -0.11 0.00 0.00 0.00 0.00 53.44 53.09 2k6y n ALA 16 Cb 0.64 0.14 -0.03 0.00 0.00 0.00 0.00 19.45 20.20 2k6y n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k6y s ALA 17 N -1.16 -1.21 0.03 0.00 0.00 -1.24 -0.78 121.76 117.39 2k6y s ALA 17 Ca 0.03 0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.20 2k6y s ALA 17 Cb -0.01 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.87 2k6y s ALA 17 CO 0.02 -0.70 -0.11 0.00 0.00 0.00 0.00 175.76 174.96 2k6y s ALA 18 N -3.78 0.91 -0.08 0.00 0.00 -0.68 -2.35 121.76 115.78 2k6y s ALA 18 Ca 0.02 -0.71 -0.07 0.00 0.00 0.00 0.00 51.96 51.19 2k6y s ALA 18 Cb 0.01 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.03 2k6y s ALA 18 CO -0.12 0.15 0.22 0.71 0.00 0.00 0.00 175.76 176.71 2k6y s TYR 19 N -0.85 -0.24 -0.11 0.00 1.51 -0.99 -1.49 117.35 115.18 2k6y s TYR 19 Ca -0.01 0.58 -0.30 0.00 -1.01 0.00 0.00 57.07 56.33 2k6y s TYR 19 Cb -0.07 0.08 0.10 0.00 -0.11 0.00 0.00 41.96 41.96 2k6y s TYR 19 CO 0.01 -0.12 0.86 -0.48 -1.11 0.00 0.00 175.55 174.71 2k6y s LEU 20 N 0.15 -0.49 -0.07 -1.29 2.34 -1.17 -1.45 118.68 116.70 2k6y s LEU 20 Ca -0.00 0.52 -0.23 0.00 0.06 0.00 0.00 54.13 54.47 2k6y s LEU 20 Cb -0.02 2.15 -0.04 0.00 -0.56 0.00 0.00 46.19 47.73 2k6y s LEU 20 CO 0.00 -0.47 0.70 -0.89 -1.06 0.00 0.00 176.35 174.63 2k6y s THR 21 N -1.22 5.05 0.23 5.48 2.01 0.58 -0.68 115.64 127.08 2k6y s THR 21 Ca -0.05 1.44 -0.00 0.00 0.31 0.00 0.00 61.69 63.38 2k6y s THR 21 Cb -0.00 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 2k6y s THR 21 CO 0.05 0.25 0.17 -0.22 -0.69 0.00 0.00 174.62 174.18 2k6y s LEU 22 N 0.82 1.22 -0.10 4.42 2.96 -0.27 -3.49 118.68 124.23 2k6y s LEU 22 Ca 0.37 -1.44 -0.08 0.00 -0.22 0.00 0.00 54.13 52.76 2k6y s LEU 22 Cb -0.18 0.48 0.03 0.00 0.50 0.00 0.00 46.19 47.02 2k6y s LEU 22 CO 0.18 -0.89 0.25 -1.83 -1.32 0.00 0.00 176.35 172.74 2k6y s GLU 23 N -4.02 0.29 -0.45 1.98 -1.05 -1.26 -0.68 118.70 113.50 2k6y s GLU 23 Ca 0.39 0.38 -0.18 0.00 -0.15 0.00 0.00 54.97 55.41 2k6y s GLU 23 Cb 0.06 0.11 0.04 0.00 -0.44 0.00 0.00 34.13 33.90 2k6y s GLU 23 CO 0.15 -0.05 0.48 1.21 0.95 0.00 0.00 175.26 178.00 2k6y s ASN 24 N 0.28 6.20 0.00 0.83 2.47 -0.13 -4.95 114.94 119.64 2k6y s ASN 24 Ca -0.01 -0.79 0.29 0.00 0.42 0.00 0.00 52.86 52.76 2k6y s ASN 24 Cb -0.03 -2.24 1.27 0.00 -1.45 0.00 0.00 41.25 38.80 2k6y s ASN 24 CO -0.01 -0.67 1.93 -0.81 -3.72 0.00 0.00 177.10 173.83 2k6y n PRO 25 N 5.71 0.08 -1.92 0.43 -0.04 -1.26 -1.41 135.00 136.58 2k6y n PRO 25 Ca -0.07 0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.11 2k6y n PRO 25 Cb 0.46 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.51 2k6y n PRO 25 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k6y s GLY 26 N -2.92 1.60 0.00 0.55 0.00 -1.26 -4.60 107.32 100.69 2k6y s GLY 26 Ca 0.16 -0.65 0.24 0.00 0.00 0.00 0.00 44.72 44.47 2k6y s GLY 26 CO 0.51 -0.17 1.22 1.22 0.00 0.00 0.00 173.10 175.87 2k6y n ASP 27 N -3.27 1.45 -4.69 1.64 9.92 -1.26 -2.01 116.55 118.32 2k6y n ASP 27 Ca 0.08 -1.15 -0.23 0.00 -0.53 0.00 0.00 54.79 52.96 2k6y n ASP 27 Cb 0.61 0.45 -0.07 0.00 -0.64 0.00 0.00 41.12 41.48 2k6y n ASP 27 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 2k6y s LEU 28 N -2.62 3.31 0.62 0.64 0.05 -1.26 -4.79 118.68 114.63 2k6y s LEU 28 Ca 0.18 -0.60 -0.10 0.00 0.05 0.00 0.00 54.13 53.66 2k6y s LEU 28 Cb 0.18 -1.83 -0.02 0.00 -2.05 0.00 0.00 46.19 42.47 2k6y s LEU 28 CO 0.62 -0.06 1.00 -2.16 -0.55 0.00 0.00 176.35 175.20 2k6y s PRO 29 N -3.73 3.35 0.04 1.48 0.04 -1.26 -4.06 135.00 130.86 2k6y s PRO 29 Ca 0.33 0.54 0.01 0.00 0.04 0.00 0.00 61.00 61.92 2k6y s PRO 29 Cb -0.06 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 2k6y s PRO 29 CO 0.21 -0.64 0.08 -0.51 0.04 0.00 0.00 177.00 176.18 2k6y s LEU 30 N -5.15 3.85 -0.23 -3.56 1.43 0.15 -4.94 118.68 110.24 2k6y s LEU 30 Ca 0.55 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 2k6y s LEU 30 Cb -0.11 -2.40 0.03 0.00 0.03 0.00 0.00 46.19 43.75 2k6y s LEU 30 CO 0.51 0.22 -0.12 -0.60 0.23 0.00 0.00 176.35 176.59 2k6y s ARG 31 N -2.09 2.74 -0.34 1.70 3.52 -1.26 -0.64 118.95 122.57 2k6y s ARG 31 Ca 0.26 -1.02 -0.16 0.00 -0.13 0.00 0.00 55.73 54.68 2k6y s ARG 31 Cb -0.12 -2.83 -0.01 0.00 -1.56 0.00 0.00 34.95 30.43 2k6y s ARG 31 CO 0.18 -0.38 0.43 -1.17 -0.81 0.00 0.00 175.30 173.56 2k6y s LEU 32 N 1.26 4.39 0.00 -0.88 2.96 0.21 -0.50 118.68 126.13 2k6y s LEU 32 Ca -0.01 -0.12 0.10 0.00 -0.22 0.00 0.00 54.13 53.88 2k6y s LEU 32 Cb -0.16 -2.45 -0.08 0.00 0.50 0.00 0.00 46.19 44.00 2k6y s LEU 32 CO -0.07 -0.40 0.47 1.33 -1.32 0.00 0.00 176.35 176.36 2k6y n VAL 33 N 5.32 0.00 -1.97 1.68 0.24 0.63 -0.50 118.33 123.73 2k6y n VAL 33 Ca -0.07 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 2k6y n VAL 33 Cb 0.49 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 2k6y n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k6y n GLY 34 N 1.14 -1.42 3.33 7.63 0.00 -1.15 -4.79 105.19 109.93 2k6y n GLY 34 Ca 0.02 -1.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.90 2k6y n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k6y s ALA 35 N -1.40 1.15 -0.07 4.61 0.00 -1.26 -0.80 121.76 123.99 2k6y s ALA 35 Ca 0.00 -1.69 -0.29 0.00 0.00 0.00 0.00 51.96 49.98 2k6y s ALA 35 Cb 0.00 1.33 0.07 0.00 0.00 0.00 0.00 23.12 24.52 2k6y s ALA 35 CO 0.00 -0.69 0.65 -0.98 0.00 0.00 0.00 175.76 174.74 2k6y s ARG 36 N -3.67 1.00 0.07 0.00 1.04 -0.09 -4.79 118.95 112.51 2k6y s ARG 36 Ca 0.36 0.30 -0.04 0.00 -1.04 0.00 0.00 55.73 55.31 2k6y s ARG 36 Cb 0.03 0.47 -0.03 0.00 -2.04 0.00 0.00 34.95 33.38 2k6y s ARG 36 CO 0.19 -0.29 0.05 -0.08 -0.04 0.00 0.00 175.30 175.13 2k6y s THR 37 N -1.02 0.18 0.36 4.99 -1.32 -1.26 -0.41 115.64 117.16 2k6y s THR 37 Ca -0.10 -1.61 0.10 0.00 -1.21 0.00 0.00 61.69 58.87 2k6y s THR 37 Cb -0.01 -1.51 0.10 0.00 -1.51 0.00 0.00 72.50 69.57 2k6y s THR 37 CO 0.08 -0.83 1.83 1.55 -2.21 0.00 0.00 174.62 175.04 2k6y h PRO 38 N 2.99 0.12 -0.01 7.08 0.13 -1.99 -3.36 132.00 136.97 2k6y h PRO 38 Ca -0.34 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2k6y h PRO 38 Cb 1.17 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2k6y h PRO 38 CO 0.62 0.42 -0.23 1.33 -0.23 0.00 0.00 178.00 179.91 2k6y n VAL 39 N -4.14 0.00 -3.95 1.56 0.24 -1.26 -4.34 118.33 106.44 2k6y n VAL 39 Ca -0.02 -0.09 -0.08 0.00 -2.04 0.00 0.00 64.34 62.12 2k6y n VAL 39 Cb 0.38 0.19 -0.08 0.00 -1.47 0.00 0.00 33.84 32.86 2k6y n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k6y s ALA 40 N -2.57 0.05 0.00 2.33 0.00 -1.26 -3.57 121.76 116.74 2k6y s ALA 40 Ca 0.24 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.38 2k6y s ALA 40 Cb 0.19 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.69 2k6y s ALA 40 CO 0.53 -0.44 0.00 -1.91 0.00 0.00 0.00 175.76 173.94 2k6y n GLU 41 N 0.10 0.00 -2.42 0.00 4.07 0.53 -4.71 120.64 118.22 2k6y n GLU 41 Ca -0.15 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.53 2k6y n GLU 41 Cb 0.61 -0.08 -0.03 0.00 -0.06 0.00 0.00 31.44 31.89 2k6y n GLU 41 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 2k6y s ARG 42 N -0.12 4.39 -0.03 5.31 3.52 -0.25 -4.93 118.95 126.84 2k6y s ARG 42 Ca 0.00 1.75 0.01 0.00 -0.13 0.00 0.00 55.73 57.36 2k6y s ARG 42 Cb 0.00 -3.45 0.02 0.00 -1.56 0.00 0.00 34.95 29.95 2k6y s ARG 42 CO 0.00 -0.36 -0.04 0.54 -0.81 0.00 0.00 175.30 174.62 2k6y s VAL 43 N 1.65 0.48 -0.14 7.11 0.11 -1.26 -0.65 120.40 127.70 2k6y s VAL 43 Ca 0.58 -0.13 -0.11 0.00 -2.93 0.00 0.00 61.98 59.40 2k6y s VAL 43 Cb -0.28 -0.50 0.04 0.00 -1.53 0.00 0.00 36.38 34.12 2k6y s VAL 43 CO 0.26 0.20 0.37 -1.61 -3.33 0.00 0.00 175.10 170.98 2k6y s GLU 44 N 0.71 0.39 -0.11 1.54 2.02 -0.88 -4.82 118.70 117.54 2k6y s GLU 44 Ca -0.09 0.60 -0.29 0.00 0.02 0.00 0.00 54.97 55.20 2k6y s GLU 44 Cb -0.12 0.10 -0.01 0.00 0.10 0.00 0.00 34.13 34.20 2k6y s GLU 44 CO -0.00 -0.10 1.00 -1.17 0.02 0.00 0.00 175.26 175.02 2k6y s LEU 45 N 0.69 4.24 0.17 1.80 0.20 -1.26 -0.68 118.68 123.83 2k6y s LEU 45 Ca -0.04 1.51 0.09 0.00 0.69 0.00 0.00 54.13 56.38 2k6y s LEU 45 Cb -0.05 -3.55 -0.04 0.00 -0.43 0.00 0.00 46.19 42.12 2k6y s LEU 45 CO -0.05 -0.46 -0.11 -1.00 -0.29 0.00 0.00 176.35 174.44 2k6y s HIS 46 N 2.09 2.60 0.66 5.38 3.76 0.19 -0.82 115.29 129.15 2k6y s HIS 46 Ca 0.48 -0.23 -0.05 0.00 -0.15 0.00 0.00 55.06 55.10 2k6y s HIS 46 Cb -0.18 -1.28 0.04 0.00 1.11 0.00 0.00 32.58 32.27 2k6y s HIS 46 CO 0.17 0.50 0.95 -1.83 -0.85 0.00 0.00 174.74 173.68 2k6y s GLU 47 N -2.74 2.42 -0.16 1.40 -1.05 0.54 -1.48 118.70 117.64 2k6y s GLU 47 Ca 0.24 -0.26 -0.09 0.00 -0.15 0.00 0.00 54.97 54.70 2k6y s GLU 47 Cb -0.09 -2.24 0.05 0.00 -0.44 0.00 0.00 34.13 31.42 2k6y s GLU 47 CO 0.14 -1.04 0.38 0.99 0.95 0.00 0.00 175.26 176.69 2k6y s THR 48 N -3.12 -0.02 0.14 1.83 2.01 0.22 -3.01 115.64 113.68 2k6y s THR 48 Ca 0.58 0.09 -0.10 0.00 0.31 0.00 0.00 61.69 62.56 2k6y s THR 48 Cb -0.11 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 71.84 2k6y s THR 48 CO 0.44 0.03 0.29 0.72 -0.69 0.00 0.00 174.62 175.41 2k6y s PHE 49 N 1.17 0.21 -0.21 4.92 -0.12 -0.79 -3.90 117.98 119.26 2k6y s PHE 49 Ca -0.08 -0.59 -0.02 0.00 -0.05 0.00 0.00 56.93 56.19 2k6y s PHE 49 Cb -0.08 0.01 0.01 0.00 -0.63 0.00 0.00 43.02 42.33 2k6y s PHE 49 CO -0.10 -0.68 -0.09 -1.64 -0.05 0.00 0.00 175.22 172.66 2k6y s MET 50 N -3.91 3.18 0.06 1.99 -1.94 -1.26 -2.17 119.30 115.25 2k6y s MET 50 Ca 0.11 -0.74 -0.11 0.00 -1.71 0.00 0.00 55.69 53.24 2k6y s MET 50 Cb 0.03 -2.88 0.01 0.00 2.01 0.00 0.00 34.83 34.00 2k6y s MET 50 CO -0.05 -0.23 0.25 1.03 -0.01 0.00 0.00 175.02 176.01 2k6y s ARG 51 N 1.40 0.81 0.51 2.03 0.52 -0.59 -4.97 118.95 118.67 2k6y s ARG 51 Ca 0.05 -0.67 -0.23 0.00 -0.52 0.00 0.00 55.73 54.36 2k6y s ARG 51 Cb -0.14 0.34 -0.06 0.00 0.52 0.00 0.00 34.95 35.61 2k6y s ARG 51 CO -0.06 -0.26 1.34 0.39 0.02 0.00 0.00 175.30 176.72 2k6y n GLU 52 N 0.37 1.79 0.12 3.54 4.71 -1.26 -0.78 120.64 129.13 2k6y n GLU 52 Ca -0.17 0.65 0.00 0.00 -0.01 0.00 0.00 57.16 57.63 2k6y n GLU 52 Cb 0.60 -2.53 0.00 0.00 -1.01 0.00 0.00 31.44 28.50 2k6y n GLU 52 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2k6y n VAL 53 N -0.79 0.00 0.91 2.62 0.31 -0.27 -4.87 118.33 116.24 2k6y n VAL 53 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 2k6y n VAL 53 Cb 0.43 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 2k6y n VAL 53 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2k6y n GLU 54 N -3.13 0.94 0.00 5.55 2.13 -1.26 -4.73 120.64 120.14 2k6y n GLU 54 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2k6y n GLU 54 Cb 0.00 -1.03 0.00 0.00 0.27 0.00 0.00 31.44 30.68 2k6y n GLU 54 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k6y n GLY 55 N 0.55 1.18 3.74 8.31 0.00 -1.26 -4.90 105.19 112.81 2k6y n GLY 55 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2k6y n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k6y s LYS 56 N 0.00 2.26 0.20 1.61 1.02 -1.26 -4.96 119.74 118.61 2k6y s LYS 56 Ca 0.00 -1.77 -0.14 0.00 0.02 0.00 0.00 55.97 54.09 2k6y s LYS 56 Cb 0.00 -2.04 -0.07 0.00 -0.52 0.00 0.00 37.83 35.19 2k6y s LYS 56 CO 0.00 -0.07 0.59 -1.59 -0.92 0.00 0.00 175.35 173.36 2k6y s LYS 57 N -3.90 3.97 0.29 1.68 -2.85 -1.26 -1.11 119.74 116.55 2k6y s LYS 57 Ca 0.41 0.50 -0.02 0.00 -1.00 0.00 0.00 55.97 55.85 2k6y s LYS 57 Cb 0.02 -2.79 -0.01 0.00 -2.06 0.00 0.00 37.83 32.98 2k6y s LYS 57 CO 0.23 0.39 0.36 0.54 0.10 0.00 0.00 175.35 176.97 2k6y s VAL 58 N -1.62 0.00 0.02 1.79 0.11 0.04 -4.92 120.40 115.83 2k6y s VAL 58 Ca 0.43 -1.73 0.02 0.00 -2.93 0.00 0.00 61.98 57.76 2k6y s VAL 58 Cb -0.14 -2.50 -0.04 0.00 -1.53 0.00 0.00 36.38 32.17 2k6y s VAL 58 CO 0.20 0.00 0.02 -0.04 -3.33 0.00 0.00 175.10 171.95 2k6y s MET 59 N -3.56 2.81 0.35 1.54 -1.94 -1.26 -1.54 119.30 115.69 2k6y s MET 59 Ca 0.33 -0.64 -0.12 0.00 -1.71 0.00 0.00 55.69 53.55 2k6y s MET 59 Cb 0.02 -2.69 0.03 0.00 2.01 0.00 0.00 34.83 34.20 2k6y s MET 59 CO 0.18 0.61 0.66 0.20 -0.01 0.00 0.00 175.02 176.66 2k6y s GLY 60 N -1.82 0.65 0.01 -0.03 0.00 -0.92 -5.01 107.32 100.21 2k6y s GLY 60 Ca 0.22 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 44.01 2k6y s GLY 60 CO 0.14 -0.51 -0.03 1.06 0.00 0.00 0.00 173.10 173.76 2k6y s MET 61 N -2.87 0.25 -0.07 2.90 -1.94 -1.26 -1.88 119.30 114.43 2k6y s MET 61 Ca 0.20 -0.41 -0.28 0.00 -1.71 0.00 0.00 55.69 53.49 2k6y s MET 61 Cb -0.03 -0.01 0.06 0.00 2.01 0.00 0.00 34.83 36.86 2k6y s MET 61 CO 0.13 -0.01 0.63 1.03 -0.01 0.00 0.00 175.02 176.79 2k6y s ARG 62 N -0.93 0.96 0.65 2.03 0.52 -1.16 -5.00 118.95 116.02 2k6y s ARG 62 Ca -0.09 0.30 -0.16 0.00 -0.52 0.00 0.00 55.73 55.26 2k6y s ARG 62 Cb -0.06 0.45 -0.01 0.00 0.52 0.00 0.00 34.95 35.85 2k6y s ARG 62 CO -0.00 -0.27 1.12 -1.25 0.02 0.00 0.00 175.30 174.91 2k6y s PRO 63 N -0.98 2.84 0.20 3.54 0.05 -1.26 -0.34 135.00 139.05 2k6y s PRO 63 Ca -0.10 1.45 0.08 0.00 0.05 0.00 0.00 61.00 62.49 2k6y s PRO 63 Cb -0.01 -1.95 -0.05 0.00 0.05 0.00 0.00 34.50 32.54 2k6y s PRO 63 CO 0.08 -1.23 -0.16 0.14 0.05 0.00 0.00 177.00 175.87 2k6y s VAL 64 N -2.22 1.84 0.01 -0.36 -7.23 0.00 -4.76 120.40 107.68 2k6y s VAL 64 Ca 0.68 -2.12 0.32 0.00 -1.81 0.00 0.00 61.98 59.06 2k6y s VAL 64 Cb -0.22 -1.99 0.37 0.00 0.56 0.00 0.00 36.38 35.10 2k6y s VAL 64 CO 0.40 -0.47 1.95 1.55 -0.31 0.00 0.00 175.10 178.21 2k6y h PRO 65 N 2.79 0.00 -1.33 4.82 0.13 -1.96 -3.43 132.00 133.02 2k6y h PRO 65 Ca -0.40 0.00 0.38 0.00 -0.87 0.00 0.00 66.00 65.11 2k6y h PRO 65 Cb 1.22 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.23 2k6y h PRO 65 CO 0.58 0.00 0.96 -0.59 -0.23 0.00 0.00 178.00 178.72 2k6y s PHE 66 N -3.62 -0.01 0.45 1.56 -0.12 -1.26 -4.83 117.98 110.16 2k6y s PHE 66 Ca 0.02 -0.02 0.05 0.00 -0.05 0.00 0.00 56.93 56.92 2k6y s PHE 66 Cb 0.09 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.96 2k6y s PHE 66 CO 0.51 -0.08 0.10 -0.51 -0.05 0.00 0.00 175.22 175.19 2k6y s LEU 67 N -3.20 2.75 0.22 -1.99 1.43 0.34 -5.01 118.68 113.22 2k6y s LEU 67 Ca 0.19 -1.36 0.01 0.00 -1.03 0.00 0.00 54.13 51.93 2k6y s LEU 67 Cb 0.06 -1.03 -0.05 0.00 0.03 0.00 0.00 46.19 45.20 2k6y s LEU 67 CO -0.05 -0.66 0.09 -1.83 0.23 0.00 0.00 176.35 174.12 2k6y s GLU 68 N -3.87 1.27 -0.09 1.70 -1.05 -1.26 -0.61 118.70 114.77 2k6y s GLU 68 Ca 0.28 -1.66 -0.04 0.00 -0.15 0.00 0.00 54.97 53.39 2k6y s GLU 68 Cb 0.05 -0.07 0.04 0.00 -0.44 0.00 0.00 34.13 33.71 2k6y s GLU 68 CO 0.15 -0.29 0.21 0.08 0.95 0.00 0.00 175.26 176.36 2k6y s VAL 69 N -3.88 -0.06 0.94 1.83 1.01 0.18 -4.89 120.40 115.54 2k6y s VAL 69 Ca 0.35 0.17 -0.12 0.00 0.00 0.00 0.00 61.98 62.37 2k6y s VAL 69 Cb 0.07 -0.34 0.15 0.00 0.00 0.00 0.00 36.38 36.27 2k6y s VAL 69 CO 0.11 0.07 1.10 -2.16 0.00 0.00 0.00 175.10 174.21 2k6y s PRO 70 N 1.29 0.92 0.37 2.72 0.04 -1.26 -0.67 135.00 138.40 2k6y s PRO 70 Ca -0.09 0.60 -0.28 0.00 0.04 0.00 0.00 61.00 61.28 2k6y s PRO 70 Cb -0.11 -1.79 -0.11 0.00 0.04 0.00 0.00 34.50 32.54 2k6y s PRO 70 CO -0.08 -2.42 1.48 -1.25 0.04 0.00 0.00 177.00 174.78 2k6y s PRO 71 N -5.00 4.12 0.00 0.56 0.04 -1.26 -2.18 135.00 131.28 2k6y s PRO 71 Ca 0.64 2.55 0.00 0.00 0.04 0.00 0.00 61.00 64.24 2k6y s PRO 71 Cb -0.18 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.39 2k6y s PRO 71 CO 0.57 -0.52 0.00 1.63 0.04 0.00 0.00 177.00 178.71 2k6y n LYS 72 N 0.58 -0.26 -2.59 4.56 4.76 -0.50 -4.95 118.16 119.75 2k6y n LYS 72 Ca 0.01 0.07 -0.43 0.00 -2.87 0.00 0.00 58.31 55.09 2k6y n LYS 72 Cb 0.39 -4.00 -0.02 0.00 -1.84 0.00 0.00 35.03 29.56 2k6y n LYS 72 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2k6y s GLY 73 N -2.00 1.49 -0.02 0.72 0.00 -0.93 -4.79 107.32 101.79 2k6y s GLY 73 Ca 0.00 -0.09 -0.19 0.00 0.00 0.00 0.00 44.72 44.44 2k6y s GLY 73 CO 0.00 2.35 0.55 -1.60 0.00 0.00 0.00 173.10 174.40 2k6y s ARG 74 N 3.87 4.26 0.00 2.90 3.52 -1.26 -0.95 118.95 131.28 2k6y s ARG 74 Ca 0.48 0.65 -0.19 0.00 -0.13 0.00 0.00 55.73 56.53 2k6y s ARG 74 Cb -0.12 -3.33 0.04 0.00 -1.56 0.00 0.00 34.95 29.97 2k6y s ARG 74 CO 0.19 0.40 0.43 0.14 -0.81 0.00 0.00 175.30 175.64 2k6y s VAL 75 N -0.24 0.04 -0.10 7.11 -7.23 0.14 -4.98 120.40 115.14 2k6y s VAL 75 Ca 0.29 -0.37 0.01 0.00 -1.81 0.00 0.00 61.98 60.11 2k6y s VAL 75 Cb -0.18 -0.83 -0.02 0.00 0.56 0.00 0.00 36.38 35.92 2k6y s VAL 75 CO 0.16 -0.20 -0.14 -1.83 -0.31 0.00 0.00 175.10 172.77 2k6y s GLU 76 N -1.75 3.08 -1.13 4.82 4.04 -1.26 -1.12 118.70 125.38 2k6y s GLU 76 Ca -0.10 -0.70 -0.23 0.00 0.04 0.00 0.00 54.97 53.98 2k6y s GLU 76 Cb -0.02 -2.53 -0.11 0.00 0.02 0.00 0.00 34.13 31.48 2k6y s GLU 76 CO 0.03 0.35 1.94 1.28 -1.84 0.00 0.00 175.26 177.02 2k6y n LEU 77 N 3.13 3.03 -4.76 1.83 4.32 0.14 -4.85 117.00 119.84 2k6y n LEU 77 Ca -0.18 -3.09 -0.41 0.00 -0.02 0.00 0.00 56.01 52.31 2k6y n LEU 77 Cb 0.53 -1.67 -0.03 0.00 -1.62 0.00 0.00 43.42 40.62 2k6y n LEU 77 CO 0.29 -1.83 0.90 -1.59 -1.22 0.00 0.00 177.39 173.94 2k6y s LYS 78 N 6.48 4.48 0.60 3.23 -2.85 -1.02 -3.06 119.74 127.60 2k6y s LYS 78 Ca 0.68 2.01 0.33 0.00 -1.00 0.00 0.00 55.97 57.99 2k6y s LYS 78 Cb 0.01 -3.15 1.94 0.00 -2.06 0.00 0.00 37.83 34.56 2k6y s LYS 78 CO 0.14 -0.05 2.28 -1.00 0.10 0.00 0.00 175.35 176.82 2k6y h PRO 79 N 4.10 0.00 -2.24 1.78 0.13 -1.94 0.16 132.00 134.01 2k6y h PRO 79 Ca -0.47 0.00 -0.81 0.00 -0.87 0.00 0.00 66.00 63.86 2k6y h PRO 79 Cb 1.22 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.08 2k6y h PRO 79 CO 0.69 0.00 1.06 0.41 -0.23 0.00 0.00 178.00 179.94 2k6y n GLY 80 N -1.26 6.09 0.00 1.56 0.00 -1.26 -4.69 105.19 105.62 2k6y n GLY 80 Ca -0.03 -2.56 0.00 0.00 0.00 0.00 0.00 46.02 43.43 2k6y n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6y n GLY 81 N -0.07 -0.75 3.44 -0.02 0.00 -0.48 -4.95 105.19 102.36 2k6y n GLY 81 Ca 0.48 0.28 -0.14 0.00 0.00 0.00 0.00 46.02 46.64 2k6y n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k6y s TYR 82 N 0.00 -0.59 0.28 1.61 2.02 -0.08 -0.61 117.35 119.98 2k6y s TYR 82 Ca 0.00 1.43 -0.19 0.00 -0.37 0.00 0.00 57.07 57.93 2k6y s TYR 82 Cb 0.00 0.21 0.07 0.00 -0.40 0.00 0.00 41.96 41.83 2k6y s TYR 82 CO 0.00 -0.30 0.92 -3.38 -1.57 0.00 0.00 175.55 171.22 2k6y s HIS 83 N 0.22 0.08 -0.18 2.71 -3.43 -0.55 -2.43 115.29 111.72 2k6y s HIS 83 Ca -0.01 -0.61 -0.04 0.00 -0.80 0.00 0.00 55.06 53.61 2k6y s HIS 83 Cb -0.04 0.76 -0.02 0.00 -1.43 0.00 0.00 32.58 31.86 2k6y s HIS 83 CO 0.01 -1.22 -0.04 -0.06 -2.00 0.00 0.00 174.74 171.43 2k6y s PHE 84 N -2.31 2.98 0.18 0.38 0.08 -0.56 -0.64 117.98 118.11 2k6y s PHE 84 Ca 0.18 -0.52 -0.27 0.00 0.12 0.00 0.00 56.93 56.44 2k6y s PHE 84 Cb -0.04 -2.01 -0.08 0.00 -0.57 0.00 0.00 43.02 40.32 2k6y s PHE 84 CO 0.08 -0.22 0.83 -1.64 -0.10 0.00 0.00 175.22 174.17 2k6y s MET 85 N 0.77 4.66 -0.12 0.44 -1.94 0.14 -1.69 119.30 121.57 2k6y s MET 85 Ca -0.02 1.27 0.02 0.00 -1.71 0.00 0.00 55.69 55.25 2k6y s MET 85 Cb -0.15 -3.27 -0.01 0.00 2.01 0.00 0.00 34.83 33.41 2k6y s MET 85 CO 0.02 0.54 -0.18 -0.51 -0.01 0.00 0.00 175.02 174.88 2k6y s LEU 86 N -1.09 2.42 -0.09 -0.03 1.43 0.04 -2.08 118.68 119.27 2k6y s LEU 86 Ca 0.38 -0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 53.00 2k6y s LEU 86 Cb -0.24 -1.52 0.04 0.00 0.03 0.00 0.00 46.19 44.50 2k6y s LEU 86 CO 0.28 0.14 0.06 -0.76 0.23 0.00 0.00 176.35 176.31 2k6y s LEU 87 N 0.45 0.32 0.04 1.79 1.43 0.18 -1.52 118.68 121.38 2k6y s LEU 87 Ca -0.13 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 2k6y s LEU 87 Cb -0.17 -0.24 0.00 0.00 0.03 0.00 0.00 46.19 45.82 2k6y s LEU 87 CO 0.06 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 176.97 2k6y n GLY 88 N 5.26 -3.49 2.88 -3.19 0.00 -0.79 -1.09 105.19 104.78 2k6y n GLY 88 Ca -0.05 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 2k6y n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k6y s LEU 89 N -1.16 2.36 0.00 0.99 1.43 -1.26 -0.35 118.68 120.69 2k6y s LEU 89 Ca 0.00 -1.19 0.28 0.00 -1.03 0.00 0.00 54.13 52.19 2k6y s LEU 89 Cb 0.00 -1.05 1.16 0.00 0.03 0.00 0.00 46.19 46.33 2k6y s LEU 89 CO 0.00 -0.27 1.81 2.29 0.23 0.00 0.00 176.35 180.40 2k6y n LYS 90 N 4.74 1.56 -3.76 1.70 2.85 -1.23 -4.85 118.16 119.17 2k6y n LYS 90 Ca -0.10 -0.82 -0.11 0.00 -1.05 0.00 0.00 58.31 56.24 2k6y n LYS 90 Cb 0.44 -1.48 -0.07 0.00 -0.65 0.00 0.00 35.03 33.28 2k6y n LYS 90 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2k6y s ARG 91 N -1.99 0.87 0.48 -1.58 0.52 -1.26 -5.00 118.95 110.99 2k6y s ARG 91 Ca 0.39 -0.66 -0.23 0.00 -0.52 0.00 0.00 55.73 54.71 2k6y s ARG 91 Cb 0.21 0.37 -0.07 0.00 0.52 0.00 0.00 34.95 35.98 2k6y s ARG 91 CO 0.33 -0.29 1.25 -1.25 0.02 0.00 0.00 175.30 175.36 2k6y s PRO 92 N -3.14 3.59 -0.19 3.54 0.04 -1.26 -4.81 135.00 132.77 2k6y s PRO 92 Ca -0.01 1.98 0.16 0.00 0.04 0.00 0.00 61.00 63.16 2k6y s PRO 92 Cb 0.01 -2.41 0.77 0.00 0.04 0.00 0.00 34.50 32.91 2k6y s PRO 92 CO -0.07 -0.75 1.69 1.28 0.04 0.00 0.00 177.00 179.20 2k6y n LEU 93 N -0.57 5.30 -4.43 -3.56 4.32 -1.26 -4.89 117.00 111.91 2k6y n LEU 93 Ca 0.08 -2.75 -0.50 0.00 -0.02 0.00 0.00 56.01 52.82 2k6y n LEU 93 Cb 0.46 -0.64 -0.04 0.00 -1.62 0.00 0.00 43.42 41.59 2k6y n LEU 93 CO 0.50 0.70 0.15 1.17 -1.22 0.00 0.00 177.39 178.69 2k6y n LYS 94 N 0.77 0.11 -1.82 3.23 0.00 -1.26 -4.75 118.16 114.44 2k6y n LYS 94 Ca 0.27 0.04 -0.42 0.00 0.00 0.00 0.00 58.31 58.19 2k6y n LYS 94 Cb 1.07 -1.16 -0.03 0.00 0.00 0.00 0.00 35.03 34.91 2k6y n LYS 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k6y s ALA 95 N -0.80 3.34 0.00 3.14 0.00 -1.26 -0.33 121.76 125.85 2k6y s ALA 95 Ca 0.69 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.60 2k6y s ALA 95 Cb -0.97 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 18.27 2k6y s ALA 95 CO 0.56 -1.87 0.00 0.41 0.00 0.00 0.00 175.76 174.86 2k6y n GLY 96 N 4.74 0.91 3.93 0.00 0.00 -1.26 -5.09 105.19 108.42 2k6y n GLY 96 Ca 0.21 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 2k6y n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k6y s GLU 97 N -0.46 1.26 -0.07 1.61 0.41 0.55 -5.14 118.70 116.86 2k6y s GLU 97 Ca 0.00 -0.34 0.03 0.00 -0.41 0.00 0.00 54.97 54.25 2k6y s GLU 97 Cb 0.00 -1.96 0.01 0.00 -1.78 0.00 0.00 34.13 30.39 2k6y s GLU 97 CO 0.00 -1.97 -0.17 -2.00 -0.49 0.00 0.00 175.26 170.63 2k6y s GLU 98 N -5.66 2.18 -0.74 1.61 2.56 -1.26 -4.49 118.70 112.90 2k6y s GLU 98 Ca 0.69 -0.61 -0.18 0.00 0.00 0.00 0.00 54.97 54.87 2k6y s GLU 98 Cb -0.07 -1.74 0.14 0.00 2.00 0.00 0.00 34.13 34.46 2k6y s GLU 98 CO 0.50 0.12 0.83 0.08 -0.56 0.00 0.00 175.26 176.23 2k6y s VAL 99 N 0.43 5.00 -0.18 3.70 1.01 -1.23 -4.93 120.40 124.21 2k6y s VAL 99 Ca -0.14 -1.53 -0.29 0.00 0.00 0.00 0.00 61.98 60.02 2k6y s VAL 99 Cb -0.16 -4.56 -0.05 0.00 0.00 0.00 0.00 36.38 31.61 2k6y s VAL 99 CO 0.05 -1.20 1.91 -1.61 0.00 0.00 0.00 175.10 174.25 2k6y s GLU 100 N 2.04 3.60 0.02 2.72 2.02 -1.26 -1.46 118.70 126.37 2k6y s GLU 100 Ca 0.19 1.96 0.08 0.00 0.02 0.00 0.00 54.97 57.21 2k6y s GLU 100 Cb -0.16 -4.19 -0.02 0.00 0.10 0.00 0.00 34.13 29.86 2k6y s GLU 100 CO -0.02 -1.55 -0.24 -1.17 0.02 0.00 0.00 175.26 172.30 2k6y s LEU 101 N 6.26 2.11 -0.12 1.80 0.20 -0.34 -4.21 118.68 124.37 2k6y s LEU 101 Ca 0.86 -0.50 -0.23 0.00 0.69 0.00 0.00 54.13 54.94 2k6y s LEU 101 Cb -0.31 -1.19 -0.03 0.00 -0.43 0.00 0.00 46.19 44.23 2k6y s LEU 101 CO 0.34 0.25 0.72 -1.81 -0.29 0.00 0.00 176.35 175.56 2k6y s ASP 102 N -0.91 6.91 -0.20 3.68 1.11 0.45 -0.33 116.67 127.38 2k6y s ASP 102 Ca 0.10 1.10 -0.17 0.00 0.18 0.00 0.00 52.55 53.76 2k6y s ASP 102 Cb -0.09 -2.41 -0.04 0.00 1.07 0.00 0.00 42.92 41.45 2k6y s ASP 102 CO 0.01 -0.22 0.44 -0.76 1.18 0.00 0.00 175.17 175.81 2k6y s LEU 103 N 1.40 4.16 -0.25 1.23 1.43 0.06 -0.91 118.68 125.80 2k6y s LEU 103 Ca 0.36 0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 53.93 2k6y s LEU 103 Cb -0.17 -2.59 -0.05 0.00 0.03 0.00 0.00 46.19 43.41 2k6y s LEU 103 CO 0.15 -0.10 0.19 -0.76 0.23 0.00 0.00 176.35 176.05 2k6y s LEU 104 N 1.37 4.09 -0.13 1.79 1.43 0.02 -2.17 118.68 125.08 2k6y s LEU 104 Ca 0.21 0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.44 2k6y s LEU 104 Cb -0.15 -2.14 0.01 0.00 0.03 0.00 0.00 46.19 43.94 2k6y s LEU 104 CO 0.09 0.02 -0.22 -0.36 0.23 0.00 0.00 176.35 176.11 2k6y s PHE 105 N 1.30 2.65 0.00 0.29 0.08 0.54 -0.27 117.98 122.57 2k6y s PHE 105 Ca 0.08 -1.21 0.00 0.00 0.12 0.00 0.00 56.93 55.93 2k6y s PHE 105 Cb -0.14 -1.79 0.00 0.00 -0.57 0.00 0.00 43.02 40.52 2k6y s PHE 105 CO 0.07 -0.53 0.00 0.00 -0.10 0.00 0.00 175.22 174.66 2k6y n ALA 106 N 3.88 0.00 0.00 5.36 0.00 0.35 -2.22 120.51 127.88 2k6y n ALA 106 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2k6y n ALA 106 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2k6y n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k6y n GLY 107 N -0.64 0.32 0.00 0.00 0.00 -1.26 -5.02 105.19 98.59 2k6y n GLY 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k6y n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6y n GLY 108 N 0.00 0.00 3.74 -0.02 0.00 -0.94 -5.12 105.19 102.84 2k6y n GLY 108 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2k6y n GLY 108 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k6y s LYS 109 N -0.61 4.56 0.03 1.61 2.36 -0.97 -4.97 119.74 121.76 2k6y s LYS 109 Ca 0.00 1.20 0.04 0.00 -2.55 0.00 0.00 55.97 54.66 2k6y s LYS 109 Cb 0.00 -3.38 -0.02 0.00 -1.05 0.00 0.00 37.83 33.38 2k6y s LYS 109 CO 0.00 0.22 -0.12 0.54 1.55 0.00 0.00 175.35 177.55 2k6y s VAL 110 N 0.09 0.90 -0.07 4.02 0.11 -1.26 -0.34 120.40 123.84 2k6y s VAL 110 Ca 0.42 -0.92 -0.03 0.00 -2.93 0.00 0.00 61.98 58.52 2k6y s VAL 110 Cb -0.21 -0.84 0.04 0.00 -1.53 0.00 0.00 36.38 33.84 2k6y s VAL 110 CO 0.25 -0.06 0.16 -0.76 -3.33 0.00 0.00 175.10 171.35 2k6y s LEU 111 N -1.11 0.56 0.11 2.54 1.43 -0.92 -5.01 118.68 116.28 2k6y s LEU 111 Ca -0.01 0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 53.42 2k6y s LEU 111 Cb -0.08 0.38 -0.04 0.00 0.03 0.00 0.00 46.19 46.49 2k6y s LEU 111 CO 0.01 -0.17 0.27 -1.59 0.23 0.00 0.00 176.35 175.10 2k6y s LYS 112 N 1.37 3.47 0.01 1.70 -2.85 -1.26 -0.76 119.74 121.42 2k6y s LYS 112 Ca -0.07 -0.43 -0.01 0.00 -1.00 0.00 0.00 55.97 54.46 2k6y s LYS 112 Cb -0.12 -2.97 -0.01 0.00 -2.06 0.00 0.00 37.83 32.67 2k6y s LYS 112 CO -0.06 0.55 -0.00 0.14 0.10 0.00 0.00 175.35 176.07 2k6y s VAL 113 N -1.63 0.07 0.40 1.79 -7.23 0.55 -4.95 120.40 109.40 2k6y s VAL 113 Ca 0.36 -0.60 -0.25 0.00 -1.81 0.00 0.00 61.98 59.68 2k6y s VAL 113 Cb -0.12 -0.20 -0.08 0.00 0.56 0.00 0.00 36.38 36.53 2k6y s VAL 113 CO 0.28 -0.33 1.18 0.68 -0.31 0.00 0.00 175.10 176.60 2k6y s VAL 114 N -0.98 3.12 -0.33 1.32 -7.23 -1.26 -1.20 120.40 113.84 2k6y s VAL 114 Ca -0.11 0.94 0.02 0.00 -1.81 0.00 0.00 61.98 61.03 2k6y s VAL 114 Cb -0.07 -3.53 0.15 0.00 0.56 0.00 0.00 36.38 33.50 2k6y s VAL 114 CO -0.00 0.09 0.38 -0.76 -0.31 0.00 0.00 175.10 174.50 2k6y s LEU 115 N -2.50 -0.42 0.70 1.32 1.43 -0.54 -4.89 118.68 113.78 2k6y s LEU 115 Ca 0.57 -0.97 -0.16 0.00 -1.03 0.00 0.00 54.13 52.54 2k6y s LEU 115 Cb -0.31 0.80 0.02 0.00 0.03 0.00 0.00 46.19 46.74 2k6y s LEU 115 CO 0.39 -0.31 1.23 -2.16 0.23 0.00 0.00 176.35 175.72 2k6y s PRO 116 N 2.01 2.31 -0.27 1.29 0.04 -1.26 -3.47 135.00 135.65 2k6y s PRO 116 Ca 0.13 1.83 -0.18 0.00 0.04 0.00 0.00 61.00 62.82 2k6y s PRO 116 Cb -0.13 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 2k6y s PRO 116 CO -0.19 -1.72 0.51 0.08 0.04 0.00 0.00 177.00 175.72 2k6y s VAL 117 N -1.82 5.06 0.07 -0.36 1.01 -1.26 -1.05 120.40 122.05 2k6y s VAL 117 Ca 0.76 0.80 -0.30 0.00 0.00 0.00 0.00 61.98 63.25 2k6y s VAL 117 Cb -0.31 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 2k6y s VAL 117 CO 0.43 0.05 0.96 -1.61 0.00 0.00 0.00 175.10 174.92 2k6y s GLU 118 N 2.32 4.64 -0.61 2.72 2.02 -0.06 -4.70 118.70 125.02 2k6y s GLU 118 Ca 0.21 1.42 -0.20 0.00 0.02 0.00 0.00 54.97 56.42 2k6y s GLU 118 Cb -0.16 -3.41 0.10 0.00 0.10 0.00 0.00 34.13 30.77 2k6y s GLU 118 CO 0.10 0.12 0.76 0.00 0.02 0.00 0.00 175.26 176.27 2k6y s ALA 119 N 0.35 3.36 0.00 5.21 0.00 -1.26 -0.65 121.76 128.77 2k6y s ALA 119 Ca 0.48 -2.17 0.00 0.00 0.00 0.00 0.00 51.96 50.27 2k6y s ALA 119 Cb -0.22 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2k6y s ALA 119 CO 0.29 -2.45 0.00 -2.13 0.00 0.00 0.00 175.76 171.47