#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 -2.24 -1.57 1.61 3.41 -1.26 -5.03 113.62 108.54 2k6y n SER 2 Ca 0.00 -0.19 -0.01 0.00 -0.26 0.00 0.00 58.87 58.41 2k6y n SER 2 Cb 0.00 -1.06 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 2k6y n SER 2 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2k6y n PHE 3 N -4.74 -0.03 -0.76 7.33 -1.74 -1.26 -4.87 117.46 111.39 2k6y n PHE 3 Ca 0.01 -0.78 0.00 0.00 -0.56 0.00 0.00 57.45 56.12 2k6y n PHE 3 Cb 0.59 0.20 0.00 0.00 1.52 0.00 0.00 39.48 41.79 2k6y n PHE 3 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 2k6y n THR 4 N 0.04 0.00 -3.86 1.97 -2.24 -1.26 -5.06 114.28 103.87 2k6y n THR 4 Ca -0.07 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 2k6y n THR 4 Cb 0.94 0.22 -0.08 0.00 -2.10 0.00 0.00 70.33 69.31 2k6y n THR 4 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2k6y s GLU 5 N 0.00 0.74 0.25 -0.78 2.12 -1.26 -4.89 118.70 114.87 2k6y s GLU 5 Ca 0.00 -0.76 0.05 0.00 0.36 0.00 0.00 54.97 54.62 2k6y s GLU 5 Cb 0.00 0.30 -0.05 0.00 0.26 0.00 0.00 34.13 34.64 2k6y s GLU 5 CO 0.00 -0.22 -0.05 0.20 -0.54 0.00 0.00 175.26 174.65 2k6y s GLY 6 N -2.38 1.64 -0.09 -1.50 0.00 -1.26 -1.77 107.32 101.95 2k6y s GLY 6 Ca -0.01 -1.80 -0.18 0.00 0.00 0.00 0.00 44.72 42.73 2k6y s GLY 6 CO -0.07 -1.75 0.43 0.66 0.00 0.00 0.00 173.10 172.37 2k6y s TRP 7 N -3.18 -0.40 -0.15 1.90 -2.14 -0.98 -4.16 118.94 109.83 2k6y s TRP 7 Ca 0.28 0.85 -0.04 0.00 2.66 0.00 0.00 56.10 59.84 2k6y s TRP 7 Cb 0.04 0.18 -0.03 0.00 -3.10 0.00 0.00 33.47 30.56 2k6y s TRP 7 CO 0.09 -0.35 -0.02 0.08 -2.66 0.00 0.00 176.95 174.09 2k6y s VAL 8 N -0.56 4.06 -0.31 -0.66 1.01 -0.48 -1.65 120.40 121.81 2k6y s VAL 8 Ca -0.07 -0.30 -0.26 0.00 0.00 0.00 0.00 61.98 61.35 2k6y s VAL 8 Cb -0.03 -2.78 0.01 0.00 0.00 0.00 0.00 36.38 33.58 2k6y s VAL 8 CO 0.03 0.50 0.91 -0.60 0.00 0.00 0.00 175.10 175.94 2k6y s ARG 9 N 0.18 4.00 -0.02 2.72 3.00 -0.57 -0.68 118.95 127.57 2k6y s ARG 9 Ca -0.01 0.78 -0.22 0.00 -1.00 0.00 0.00 55.73 55.28 2k6y s ARG 9 Cb -0.13 -3.73 -0.05 0.00 0.00 0.00 0.00 34.95 31.03 2k6y s ARG 9 CO 0.02 -0.78 0.64 0.12 0.00 0.00 0.00 175.30 175.31 2k6y s PHE 10 N 3.24 3.65 0.15 5.12 5.36 0.49 -4.26 117.98 131.73 2k6y s PHE 10 Ca 0.38 1.23 -0.11 0.00 -0.96 0.00 0.00 56.93 57.47 2k6y s PHE 10 Cb -0.13 -2.69 0.00 0.00 -0.34 0.00 0.00 43.02 39.86 2k6y s PHE 10 CO 0.14 0.26 0.31 -1.12 -1.46 0.00 0.00 175.22 173.35 2k6y s SER 11 N 0.15 -0.02 0.00 6.13 0.01 -1.26 -4.20 113.70 114.50 2k6y s SER 11 Ca 0.33 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.91 2k6y s SER 11 Cb -0.18 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.49 2k6y s SER 11 CO 0.18 -0.87 0.89 -0.81 0.41 0.00 0.00 173.24 173.03 2k6y n PRO 12 N -0.20 0.80 0.00 12.44 -0.04 -1.26 -4.93 135.00 141.80 2k6y n PRO 12 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 2k6y n PRO 12 Cb 0.63 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 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 0.72 -2.18 0.00 0.55 0.00 -1.26 -4.93 105.19 98.09 2k6y n GLY 13 Ca 0.00 -1.50 0.11 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.30 0.40 -4.29 1.61 -0.04 -1.26 -4.90 135.00 126.21 2k6y n PRO 14 Ca 0.00 0.06 -0.19 0.00 -0.04 0.00 0.00 63.50 63.33 2k6y n PRO 14 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 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 -2.44 1.68 0.14 3.54 2.20 -1.26 -2.33 114.94 116.46 2k6y s ASN 15 Ca 0.24 -1.74 -0.07 0.00 -0.94 0.00 0.00 52.86 50.35 2k6y s ASN 15 Cb 0.15 0.55 0.03 0.00 -2.00 0.00 0.00 41.25 39.97 2k6y s ASN 15 CO 0.31 -1.05 0.34 0.00 -2.94 0.00 0.00 177.10 173.76 2k6y n ALA 16 N -0.62 -0.80 -2.61 3.54 0.00 -1.21 -4.74 120.51 114.08 2k6y n ALA 16 Ca 0.07 -0.48 -0.23 0.00 0.00 0.00 0.00 53.44 52.79 2k6y n ALA 16 Cb 0.63 0.36 -0.07 0.00 0.00 0.00 0.00 19.45 20.36 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 -1.42 3.19 -0.02 0.00 0.00 -1.26 -1.03 121.76 121.21 2k6y s ALA 17 Ca 0.07 -1.72 0.03 0.00 0.00 0.00 0.00 51.96 50.34 2k6y s ALA 17 Cb -0.02 -0.71 -0.00 0.00 0.00 0.00 0.00 23.12 22.40 2k6y s ALA 17 CO 0.04 0.22 -0.11 0.00 0.00 0.00 0.00 175.76 175.91 2k6y s ALA 18 N -2.37 0.98 0.19 0.00 0.00 -0.32 -1.51 121.76 118.74 2k6y s ALA 18 Ca 0.32 -0.42 0.10 0.00 0.00 0.00 0.00 51.96 51.97 2k6y s ALA 18 Cb -0.05 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 2k6y s ALA 18 CO 0.20 0.18 -0.20 0.71 0.00 0.00 0.00 175.76 176.64 2k6y s TYR 19 N 0.08 2.05 -0.24 0.00 2.02 -0.66 -1.65 117.35 118.95 2k6y s TYR 19 Ca -0.02 -0.41 -0.26 0.00 -0.37 0.00 0.00 57.07 56.01 2k6y s TYR 19 Cb -0.08 -1.00 0.11 0.00 -0.40 0.00 0.00 41.96 40.59 2k6y s TYR 19 CO 0.01 0.44 0.95 -0.48 -1.57 0.00 0.00 175.55 174.90 2k6y s LEU 20 N -2.79 -0.50 0.14 -1.29 2.34 -0.48 -2.32 118.68 113.78 2k6y s LEU 20 Ca 0.19 0.88 -0.30 0.00 0.06 0.00 0.00 54.13 54.96 2k6y s LEU 20 Cb -0.06 2.02 -0.07 0.00 -0.56 0.00 0.00 46.19 47.52 2k6y s LEU 20 CO 0.09 -0.23 1.24 -0.89 -1.06 0.00 0.00 176.35 175.50 2k6y s THR 21 N -0.06 3.61 0.01 5.48 2.01 -0.73 -0.16 115.64 125.81 2k6y s THR 21 Ca 0.01 1.25 -0.01 0.00 0.31 0.00 0.00 61.69 63.25 2k6y s THR 21 Cb -0.04 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 2k6y s THR 21 CO -0.03 0.15 0.00 -0.22 -0.69 0.00 0.00 174.62 173.84 2k6y s LEU 22 N 0.36 2.08 0.04 4.42 0.20 -0.25 -4.64 118.68 120.90 2k6y s LEU 22 Ca 0.57 -0.33 0.04 0.00 0.69 0.00 0.00 54.13 55.10 2k6y s LEU 22 Cb -0.33 0.16 -0.02 0.00 -0.43 0.00 0.00 46.19 45.57 2k6y s LEU 22 CO 0.34 -0.23 -0.12 -1.83 -0.29 0.00 0.00 176.35 174.21 2k6y s GLU 23 N -1.07 0.78 -0.47 1.98 1.03 -1.26 -0.44 118.70 119.24 2k6y s GLU 23 Ca -0.12 -0.76 -0.23 0.00 0.03 0.00 0.00 54.97 53.89 2k6y s GLU 23 Cb -0.07 -0.74 0.03 0.00 -0.80 0.00 0.00 34.13 32.55 2k6y s GLU 23 CO -0.00 0.17 0.82 1.21 -1.33 0.00 0.00 175.26 176.13 2k6y s ASN 24 N -1.29 6.39 0.07 0.83 2.47 -0.24 -4.95 114.94 118.23 2k6y s ASN 24 Ca -0.02 -0.19 0.28 0.00 0.42 0.00 0.00 52.86 53.35 2k6y s ASN 24 Cb -0.08 -2.40 1.09 0.00 -1.45 0.00 0.00 41.25 38.42 2k6y s ASN 24 CO 0.01 -0.99 1.87 -0.81 -3.72 0.00 0.00 177.10 173.47 2k6y n PRO 25 N 6.87 0.08 -0.92 0.43 -0.04 -1.26 -1.24 135.00 138.93 2k6y n PRO 25 Ca 0.02 0.07 -0.09 0.00 -0.04 0.00 0.00 63.50 63.46 2k6y n PRO 25 Cb 0.48 -1.60 0.06 0.00 -0.04 0.00 0.00 33.50 32.40 2k6y n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k6y n GLY 26 N 1.40 -0.46 0.26 0.55 0.00 -1.26 -4.59 105.19 101.09 2k6y n GLY 26 Ca 0.06 -1.80 0.03 0.00 0.00 0.00 0.00 46.02 44.31 2k6y n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k6y n ASP 27 N -3.16 1.47 -4.50 1.61 8.00 -1.26 -2.25 116.55 116.46 2k6y n ASP 27 Ca 0.06 -1.24 -0.25 0.00 0.71 0.00 0.00 54.79 54.07 2k6y n ASP 27 Cb 0.20 0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.29 2k6y n ASP 27 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 2k6y s LEU 28 N -0.73 2.64 0.56 0.64 0.05 -1.26 -4.82 118.68 115.76 2k6y s LEU 28 Ca 0.08 -1.09 -0.15 0.00 0.05 0.00 0.00 54.13 53.01 2k6y s LEU 28 Cb 0.06 -1.06 -0.06 0.00 -2.05 0.00 0.00 46.19 43.08 2k6y s LEU 28 CO 0.10 -0.05 1.01 -2.16 -0.55 0.00 0.00 176.35 174.71 2k6y s PRO 29 N -3.55 3.71 0.06 1.48 0.04 -1.26 -4.23 135.00 131.25 2k6y s PRO 29 Ca 0.31 0.98 0.01 0.00 0.04 0.00 0.00 61.00 62.33 2k6y s PRO 29 Cb -0.02 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 2k6y s PRO 29 CO 0.15 -0.48 0.17 -0.51 0.04 0.00 0.00 177.00 176.38 2k6y s LEU 30 N -4.40 4.21 -0.19 -3.56 1.43 -0.16 -4.97 118.68 111.04 2k6y s LEU 30 Ca 0.59 0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.88 2k6y s LEU 30 Cb -0.12 -2.82 0.05 0.00 0.03 0.00 0.00 46.19 43.34 2k6y s LEU 30 CO 0.37 0.17 -0.01 -0.60 0.23 0.00 0.00 176.35 176.51 2k6y s ARG 31 N -2.45 1.10 -0.29 1.70 3.52 -1.26 -0.21 118.95 121.05 2k6y s ARG 31 Ca 0.33 -0.56 -0.17 0.00 -0.13 0.00 0.00 55.73 55.20 2k6y s ARG 31 Cb -0.13 -2.14 -0.02 0.00 -1.56 0.00 0.00 34.95 31.10 2k6y s ARG 31 CO 0.26 -0.56 0.45 -1.17 -0.81 0.00 0.00 175.30 173.48 2k6y s LEU 32 N 1.69 4.15 -0.00 -0.88 2.96 0.39 -0.76 118.68 126.23 2k6y s LEU 32 Ca -0.01 0.24 0.10 0.00 -0.22 0.00 0.00 54.13 54.24 2k6y s LEU 32 Cb -0.17 -2.54 -0.12 0.00 0.50 0.00 0.00 46.19 43.87 2k6y s LEU 32 CO -0.07 -0.31 0.44 1.33 -1.32 0.00 0.00 176.35 176.42 2k6y n VAL 33 N 5.22 0.00 -3.15 1.68 0.24 0.80 -0.48 118.33 122.64 2k6y n VAL 33 Ca -0.06 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 2k6y n VAL 33 Cb 0.50 0.97 0.00 0.00 -1.47 0.00 0.00 33.84 33.84 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 1.27 -1.06 3.23 7.63 0.00 -1.17 -4.77 105.19 110.32 2k6y n GLY 34 Ca 0.02 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 2k6y n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k6y n ALA 35 N 0.00 -0.61 -3.25 4.61 0.00 -1.26 -0.91 120.51 119.09 2k6y n ALA 35 Ca 0.00 -1.44 -0.13 0.00 0.00 0.00 0.00 53.44 51.87 2k6y n ALA 35 Cb 0.00 1.16 -0.11 0.00 0.00 0.00 0.00 19.45 20.50 2k6y n ALA 35 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k6y s ARG 36 N -2.60 0.40 0.01 0.00 1.81 -0.29 -4.86 118.95 113.41 2k6y s ARG 36 Ca 0.24 0.48 -0.15 0.00 -1.72 0.00 0.00 55.73 54.59 2k6y s ARG 36 Cb -0.02 0.19 0.02 0.00 -0.45 0.00 0.00 34.95 34.69 2k6y s ARG 36 CO 0.18 -0.05 0.32 -0.08 -0.68 0.00 0.00 175.30 174.98 2k6y s THR 37 N 0.22 0.07 0.36 0.02 -1.32 -1.26 -0.38 115.64 113.34 2k6y s THR 37 Ca -0.00 -0.55 0.29 0.00 -1.21 0.00 0.00 61.69 60.21 2k6y s THR 37 Cb -0.03 -0.76 0.30 0.00 -1.51 0.00 0.00 72.50 70.50 2k6y s THR 37 CO 0.00 -0.30 2.05 1.55 -2.21 0.00 0.00 174.62 175.71 2k6y h PRO 38 N 3.56 0.00 -0.18 7.08 0.13 -1.99 -3.29 132.00 137.31 2k6y h PRO 38 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2k6y h PRO 38 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2k6y h PRO 38 CO 0.43 0.12 0.00 1.33 -0.23 0.00 0.00 178.00 179.64 2k6y n VAL 39 N -3.52 0.22 -3.87 1.56 0.24 -1.26 -4.62 118.33 107.08 2k6y n VAL 39 Ca -0.01 -0.47 -0.09 0.00 -2.04 0.00 0.00 64.34 61.73 2k6y n VAL 39 Cb 0.26 0.75 -0.06 0.00 -1.47 0.00 0.00 33.84 33.32 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 -1.78 -0.32 0.00 2.33 0.00 -1.24 -2.95 121.76 117.80 2k6y s ALA 40 Ca 0.34 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.67 2k6y s ALA 40 Cb 0.20 0.80 0.00 0.00 0.00 0.00 0.00 23.12 24.12 2k6y s ALA 40 CO 0.30 -0.67 0.00 -1.91 0.00 0.00 0.00 175.76 173.48 2k6y n GLU 41 N -0.23 0.00 -2.59 0.00 4.07 0.67 -4.58 120.64 117.98 2k6y n GLU 41 Ca -0.10 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.57 2k6y n GLU 41 Cb 0.63 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 32.01 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 0.00 3.99 0.02 5.31 3.52 -0.17 -4.92 118.95 126.71 2k6y s ARG 42 Ca 0.00 -2.01 -0.28 0.00 -0.13 0.00 0.00 55.73 53.31 2k6y s ARG 42 Cb 0.00 -5.52 -0.04 0.00 -1.56 0.00 0.00 34.95 27.82 2k6y s ARG 42 CO 0.00 -2.25 0.91 0.54 -0.81 0.00 0.00 175.30 173.69 2k6y s VAL 43 N 4.16 4.79 -0.02 7.11 0.11 -1.26 -1.74 120.40 133.55 2k6y s VAL 43 Ca 0.54 1.92 0.00 0.00 -2.93 0.00 0.00 61.98 61.51 2k6y s VAL 43 Cb 0.04 -4.25 0.02 0.00 -1.53 0.00 0.00 36.38 30.66 2k6y s VAL 43 CO 0.08 0.24 0.00 -1.61 -3.33 0.00 0.00 175.10 170.48 2k6y s GLU 44 N 0.60 0.18 -0.19 1.54 2.02 -0.50 -4.92 118.70 117.43 2k6y s GLU 44 Ca 0.47 0.07 -0.28 0.00 0.02 0.00 0.00 54.97 55.25 2k6y s GLU 44 Cb -0.21 -0.35 0.00 0.00 0.10 0.00 0.00 34.13 33.67 2k6y s GLU 44 CO 0.26 -0.11 0.98 -1.17 0.02 0.00 0.00 175.26 175.25 2k6y s LEU 45 N 0.80 4.14 0.16 1.80 0.20 -1.26 -0.23 118.68 124.30 2k6y s LEU 45 Ca -0.08 1.35 0.06 0.00 0.69 0.00 0.00 54.13 56.15 2k6y s LEU 45 Cb -0.11 -3.46 -0.04 0.00 -0.43 0.00 0.00 46.19 42.15 2k6y s LEU 45 CO -0.02 -0.57 0.07 -1.00 -0.29 0.00 0.00 176.35 174.55 2k6y s HIS 46 N 2.75 3.02 0.36 5.38 3.76 0.73 -0.73 115.29 130.55 2k6y s HIS 46 Ca 0.43 -0.06 0.08 0.00 -0.15 0.00 0.00 55.06 55.36 2k6y s HIS 46 Cb -0.16 -1.46 -0.04 0.00 1.11 0.00 0.00 32.58 32.03 2k6y s HIS 46 CO 0.10 0.52 0.21 -1.83 -0.85 0.00 0.00 174.74 172.89 2k6y s GLU 47 N -2.96 2.46 -0.22 1.40 -1.05 0.04 -1.41 118.70 116.95 2k6y s GLU 47 Ca 0.29 -1.52 -0.02 0.00 -0.15 0.00 0.00 54.97 53.57 2k6y s GLU 47 Cb -0.10 -2.25 0.01 0.00 -0.44 0.00 0.00 34.13 31.36 2k6y s GLU 47 CO 0.21 0.04 -0.09 0.99 0.95 0.00 0.00 175.26 177.36 2k6y s THR 48 N -2.43 2.85 0.15 1.83 2.01 0.91 -1.70 115.64 119.27 2k6y s THR 48 Ca 0.40 -0.83 0.08 0.00 0.31 0.00 0.00 61.69 61.65 2k6y s THR 48 Cb -0.03 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 2k6y s THR 48 CO 0.24 0.35 -0.17 0.72 -0.69 0.00 0.00 174.62 175.07 2k6y s PHE 49 N 1.37 1.70 0.27 4.92 -0.71 0.03 -4.75 117.98 120.80 2k6y s PHE 49 Ca 0.03 -0.49 -0.05 0.00 -1.04 0.00 0.00 56.93 55.38 2k6y s PHE 49 Cb -0.15 -0.87 -0.05 0.00 -1.21 0.00 0.00 43.02 40.74 2k6y s PHE 49 CO -0.06 0.26 0.53 -1.64 -1.34 0.00 0.00 175.22 172.97 2k6y s MET 50 N -2.66 3.64 -0.18 1.99 -1.94 -1.26 -1.90 119.30 117.00 2k6y s MET 50 Ca 0.13 0.01 -0.15 0.00 -1.71 0.00 0.00 55.69 53.96 2k6y s MET 50 Cb -0.06 -2.67 0.05 0.00 2.01 0.00 0.00 34.83 34.16 2k6y s MET 50 CO 0.05 0.26 0.47 0.50 -0.01 0.00 0.00 175.02 176.29 2k6y s ARG 51 N -3.39 0.53 0.66 2.03 6.06 -0.37 -4.97 118.95 119.51 2k6y s ARG 51 Ca 0.44 0.71 -0.17 0.00 -2.50 0.00 0.00 55.73 54.20 2k6y s ARG 51 Cb -0.11 0.21 -0.02 0.00 0.06 0.00 0.00 34.95 35.10 2k6y s ARG 51 CO 0.28 -0.09 1.07 0.39 -2.50 0.00 0.00 175.30 174.46 2k6y n GLU 52 N 3.15 0.82 0.00 5.12 4.71 -1.26 -0.51 120.64 132.67 2k6y n GLU 52 Ca -0.15 0.33 0.00 0.00 -0.01 0.00 0.00 57.16 57.33 2k6y n GLU 52 Cb 0.57 -2.31 0.00 0.00 -1.01 0.00 0.00 31.44 28.69 2k6y n GLU 52 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 2k6y n VAL 53 N -2.08 0.00 -0.82 2.62 3.14 -1.16 -4.90 118.33 115.12 2k6y n VAL 53 Ca 0.14 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.44 2k6y n VAL 53 Cb 0.48 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 33.14 2k6y n VAL 53 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2k6y n GLU 54 N -0.15 1.65 0.00 1.45 2.13 -1.26 -4.74 120.64 119.72 2k6y n GLU 54 Ca 0.00 -0.72 0.00 0.00 0.66 0.00 0.00 57.16 57.10 2k6y n GLU 54 Cb 0.00 -1.75 0.00 0.00 0.27 0.00 0.00 31.44 29.96 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 2.31 0.74 3.82 8.31 0.00 -1.26 -4.94 105.19 114.17 2k6y n GLY 55 Ca 0.31 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 2k6y n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k6y s LYS 56 N 0.00 3.83 -0.52 1.61 -2.85 -1.26 -4.76 119.74 115.79 2k6y s LYS 56 Ca 0.00 1.11 -0.24 0.00 -1.00 0.00 0.00 55.97 55.85 2k6y s LYS 56 Cb 0.00 -2.11 0.04 0.00 -2.06 0.00 0.00 37.83 33.69 2k6y s LYS 56 CO 0.00 -0.38 0.88 0.15 0.10 0.00 0.00 175.35 176.10 2k6y s LYS 57 N -3.76 3.35 0.26 1.78 1.02 -1.26 -3.00 119.74 118.13 2k6y s LYS 57 Ca 0.62 -0.24 -0.27 0.00 0.02 0.00 0.00 55.97 56.09 2k6y s LYS 57 Cb -0.12 -4.02 -0.09 0.00 -0.52 0.00 0.00 37.83 33.08 2k6y s LYS 57 CO 0.27 -1.36 0.90 0.08 -0.92 0.00 0.00 175.35 174.33 2k6y s VAL 58 N 3.67 4.20 -0.14 3.17 1.01 0.33 -4.80 120.40 127.84 2k6y s VAL 58 Ca 0.30 1.88 -0.04 0.00 0.00 0.00 0.00 61.98 64.11 2k6y s VAL 58 Cb -0.13 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 2k6y s VAL 58 CO 0.20 0.34 0.02 -0.04 0.00 0.00 0.00 175.10 175.62 2k6y s MET 59 N -1.57 3.52 0.35 2.72 -1.94 -1.26 -1.23 119.30 119.89 2k6y s MET 59 Ca 0.44 -0.40 -0.09 0.00 -1.71 0.00 0.00 55.69 53.93 2k6y s MET 59 Cb -0.22 -2.98 0.04 0.00 2.01 0.00 0.00 34.83 33.67 2k6y s MET 59 CO 0.27 0.44 0.62 0.41 -0.01 0.00 0.00 175.02 176.76 2k6y n GLY 60 N 2.97 1.51 3.59 -0.03 0.00 -0.80 -5.01 105.19 107.42 2k6y n GLY 60 Ca -0.18 -1.39 -0.23 0.00 0.00 0.00 0.00 46.02 44.22 2k6y n GLY 60 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2k6y s MET 61 N -2.37 2.08 -0.20 1.61 -1.94 -1.26 -0.79 119.30 116.43 2k6y s MET 61 Ca 0.20 -1.56 -0.30 0.00 -1.71 0.00 0.00 55.69 52.32 2k6y s MET 61 Cb -0.03 -2.02 0.15 0.00 2.01 0.00 0.00 34.83 34.94 2k6y s MET 61 CO 0.15 0.33 1.12 -0.98 -0.01 0.00 0.00 175.02 175.62 2k6y s ARG 62 N -3.63 0.42 0.33 2.03 1.70 -0.69 -4.97 118.95 114.14 2k6y s ARG 62 Ca 0.31 0.10 -0.28 0.00 -0.47 0.00 0.00 55.73 55.40 2k6y s ARG 62 Cb -0.05 0.20 -0.09 0.00 -0.57 0.00 0.00 34.95 34.43 2k6y s ARG 62 CO 0.18 -0.13 1.16 -1.25 -1.08 0.00 0.00 175.30 174.19 2k6y s PRO 63 N -1.07 4.38 0.20 3.89 0.04 -1.26 -0.78 135.00 140.40 2k6y s PRO 63 Ca 0.02 1.89 0.08 0.00 0.04 0.00 0.00 61.00 63.02 2k6y s PRO 63 Cb -0.01 -2.98 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 2k6y s PRO 63 CO -0.02 -0.05 0.02 0.14 0.04 0.00 0.00 177.00 177.13 2k6y s VAL 64 N -1.26 3.73 -0.65 -0.36 -7.23 0.09 -4.86 120.40 109.86 2k6y s VAL 64 Ca 0.50 -1.51 0.22 0.00 -1.81 0.00 0.00 61.98 59.37 2k6y s VAL 64 Cb -0.33 -2.91 0.22 0.00 0.56 0.00 0.00 36.38 33.92 2k6y s VAL 64 CO 0.42 -0.18 1.66 -0.81 -0.31 0.00 0.00 175.10 175.89 2k6y n PRO 65 N -0.35 0.14 0.00 4.82 -0.04 -1.26 -4.64 135.00 133.67 2k6y n PRO 65 Ca -0.09 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 2k6y n PRO 65 Cb 0.56 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 2k6y n PRO 65 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2k6y n PHE 66 N -2.03 0.00 -4.55 0.54 1.16 -1.26 -4.84 117.46 106.49 2k6y n PHE 66 Ca 0.03 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.34 2k6y n PHE 66 Cb 0.24 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.00 2k6y n PHE 66 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2k6y s LEU 67 N 0.00 2.90 0.12 5.98 1.43 0.36 -5.01 118.68 124.46 2k6y s LEU 67 Ca 0.00 -1.31 -0.19 0.00 -1.03 0.00 0.00 54.13 51.60 2k6y s LEU 67 Cb 0.00 -0.99 0.05 0.00 0.03 0.00 0.00 46.19 45.28 2k6y s LEU 67 CO 0.00 -0.43 0.46 -1.83 0.23 0.00 0.00 176.35 174.78 2k6y s GLU 68 N -3.73 1.11 -0.07 1.70 -1.05 -1.26 -0.46 118.70 114.94 2k6y s GLU 68 Ca 0.36 -0.57 -0.03 0.00 -0.15 0.00 0.00 54.97 54.58 2k6y s GLU 68 Cb 0.08 0.50 0.04 0.00 -0.44 0.00 0.00 34.13 34.31 2k6y s GLU 68 CO 0.18 -0.44 0.14 0.08 0.95 0.00 0.00 175.26 176.18 2k6y s VAL 69 N -3.53 -0.12 0.76 1.83 1.01 0.70 -4.98 120.40 116.07 2k6y s VAL 69 Ca 0.01 0.24 -0.11 0.00 0.00 0.00 0.00 61.98 62.12 2k6y s VAL 69 Cb 0.01 -0.25 0.05 0.00 0.00 0.00 0.00 36.38 36.18 2k6y s VAL 69 CO -0.10 0.10 1.08 -2.16 0.00 0.00 0.00 175.10 174.02 2k6y s PRO 70 N 1.53 2.40 0.37 2.72 0.04 -1.26 -0.99 135.00 139.80 2k6y s PRO 70 Ca -0.05 0.96 -0.28 0.00 0.04 0.00 0.00 61.00 61.66 2k6y s PRO 70 Cb -0.12 -1.93 -0.11 0.00 0.04 0.00 0.00 34.50 32.38 2k6y s PRO 70 CO -0.06 -1.48 1.51 -1.25 0.04 0.00 0.00 177.00 175.76 2k6y s PRO 71 N -5.01 4.10 0.00 0.56 0.04 -1.26 -1.94 135.00 131.49 2k6y s PRO 71 Ca 0.60 2.60 0.00 0.00 0.04 0.00 0.00 61.00 64.24 2k6y s PRO 71 Cb -0.15 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.42 2k6y s PRO 71 CO 0.55 -0.57 0.00 1.63 0.04 0.00 0.00 177.00 178.66 2k6y n LYS 72 N 0.69 0.00 -2.69 4.56 4.76 -0.37 -4.96 118.16 120.14 2k6y n LYS 72 Ca 0.02 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.03 2k6y n LYS 72 Cb 0.39 -3.68 -0.02 0.00 -1.84 0.00 0.00 35.03 29.87 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 1.69 0.22 0.72 0.00 -0.82 -4.82 107.32 102.31 2k6y s GLY 73 Ca 0.00 0.11 -0.23 0.00 0.00 0.00 0.00 44.72 44.60 2k6y s GLY 73 CO 0.00 2.14 0.78 -1.60 0.00 0.00 0.00 173.10 174.41 2k6y s ARG 74 N 3.19 4.42 -0.04 2.90 3.52 -1.26 -1.08 118.95 130.60 2k6y s ARG 74 Ca 0.43 1.05 -0.12 0.00 -0.13 0.00 0.00 55.73 56.95 2k6y s ARG 74 Cb -0.15 -3.01 0.02 0.00 -1.56 0.00 0.00 34.95 30.25 2k6y s ARG 74 CO 0.07 0.44 0.28 0.14 -0.81 0.00 0.00 175.30 175.43 2k6y s VAL 75 N -1.40 0.04 -0.24 7.11 -7.23 0.41 -4.98 120.40 114.12 2k6y s VAL 75 Ca 0.41 -0.37 -0.09 0.00 -1.81 0.00 0.00 61.98 60.12 2k6y s VAL 75 Cb -0.19 -0.53 -0.04 0.00 0.56 0.00 0.00 36.38 36.17 2k6y s VAL 75 CO 0.23 -0.20 0.13 -1.61 -0.31 0.00 0.00 175.10 173.34 2k6y s GLU 76 N -0.90 3.95 -1.00 4.82 8.01 -1.26 -1.09 118.70 131.23 2k6y s GLU 76 Ca -0.10 -0.34 -0.24 0.00 0.01 0.00 0.00 54.97 54.30 2k6y s GLU 76 Cb -0.05 -3.46 -0.09 0.00 -4.31 0.00 0.00 34.13 26.22 2k6y s GLU 76 CO 0.03 0.00 2.03 -0.51 0.01 0.00 0.00 175.26 176.81 2k6y s LEU 77 N 1.18 3.00 0.25 1.80 1.02 0.78 -4.63 118.68 122.09 2k6y s LEU 77 Ca 0.06 -0.92 0.05 0.00 0.02 0.00 0.00 54.13 53.34 2k6y s LEU 77 Cb -0.14 -2.57 -0.03 0.00 0.02 0.00 0.00 46.19 43.47 2k6y s LEU 77 CO 0.05 -3.23 0.36 -1.59 0.02 0.00 0.00 176.35 171.96 2k6y s LYS 78 N 7.26 3.36 0.08 1.70 -2.85 -0.46 -1.38 119.74 127.45 2k6y s LYS 78 Ca 0.74 -0.81 -0.30 0.00 -1.00 0.00 0.00 55.97 54.59 2k6y s LYS 78 Cb -0.05 -2.86 -0.16 0.00 -2.06 0.00 0.00 37.83 32.70 2k6y s LYS 78 CO 0.07 0.38 1.64 -1.00 0.10 0.00 0.00 175.35 176.54 2k6y h PRO 79 N 1.16 -0.65 -3.56 1.78 0.13 -1.93 -1.48 132.00 127.45 2k6y h PRO 79 Ca -0.51 0.04 -0.69 0.00 -0.87 0.00 0.00 66.00 63.97 2k6y h PRO 79 Cb 1.23 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.50 2k6y h PRO 79 CO 0.60 -0.43 3.46 0.41 -0.23 0.00 0.00 178.00 181.80 2k6y n GLY 80 N -1.41 4.33 0.00 1.56 0.00 -1.26 -4.53 105.19 103.89 2k6y n GLY 80 Ca -0.11 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 3.87 -0.96 3.10 -0.02 0.00 -1.15 -5.01 105.19 105.02 2k6y n GLY 81 Ca 0.64 0.55 -0.20 0.00 0.00 0.00 0.00 46.02 47.01 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 1.11 -0.02 1.61 2.02 -0.57 -0.06 117.35 121.44 2k6y s TYR 82 Ca 0.00 -0.28 -0.30 0.00 -0.37 0.00 0.00 57.07 56.12 2k6y s TYR 82 Cb 0.00 -0.68 0.11 0.00 -0.40 0.00 0.00 41.96 40.98 2k6y s TYR 82 CO 0.00 0.00 1.04 -3.38 -1.57 0.00 0.00 175.55 171.64 2k6y s HIS 83 N -0.60 -0.21 -0.02 2.71 -3.43 -0.50 -1.36 115.29 111.88 2k6y s HIS 83 Ca 0.02 0.06 -0.21 0.00 -0.80 0.00 0.00 55.06 54.13 2k6y s HIS 83 Cb -0.06 0.55 -0.05 0.00 -1.43 0.00 0.00 32.58 31.59 2k6y s HIS 83 CO 0.00 -0.48 0.62 -0.06 -2.00 0.00 0.00 174.74 172.83 2k6y s PHE 84 N -2.88 3.65 0.09 0.38 0.08 -0.66 -0.19 117.98 118.44 2k6y s PHE 84 Ca 0.09 1.21 -0.25 0.00 0.12 0.00 0.00 56.93 58.09 2k6y s PHE 84 Cb -0.00 -2.67 -0.06 0.00 -0.57 0.00 0.00 43.02 39.72 2k6y s PHE 84 CO -0.05 0.27 0.79 -1.64 -0.10 0.00 0.00 175.22 174.48 2k6y s MET 85 N 0.13 4.54 -0.80 0.44 -1.94 0.69 -1.17 119.30 121.18 2k6y s MET 85 Ca 0.33 1.13 0.02 0.00 -1.71 0.00 0.00 55.69 55.46 2k6y s MET 85 Cb -0.18 -3.33 0.23 0.00 2.01 0.00 0.00 34.83 33.56 2k6y s MET 85 CO 0.17 0.37 0.80 1.28 -0.01 0.00 0.00 175.02 177.63 2k6y n LEU 86 N 2.40 4.08 -4.64 -0.03 4.77 -0.20 -1.40 117.00 121.99 2k6y n LEU 86 Ca -0.03 -5.26 -0.43 0.00 -0.03 0.00 0.00 56.01 50.26 2k6y n LEU 86 Cb 0.50 -0.91 -0.02 0.00 -2.33 0.00 0.00 43.42 40.66 2k6y n LEU 86 CO 0.47 1.78 1.02 -0.76 -1.33 0.00 0.00 177.39 178.58 2k6y s LEU 87 N -1.93 3.92 0.00 2.23 2.01 -0.71 -3.30 118.68 120.90 2k6y s LEU 87 Ca 0.31 1.13 0.00 0.00 0.01 0.00 0.00 54.13 55.58 2k6y s LEU 87 Cb 0.02 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.68 2k6y s LEU 87 CO -0.07 -0.95 0.00 0.61 1.01 0.00 0.00 176.35 176.95 2k6y n GLY 88 N 4.02 -2.75 3.66 -3.19 0.00 -0.99 -1.00 105.19 104.94 2k6y n GLY 88 Ca 0.13 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 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 0.00 4.11 0.00 0.99 1.43 -1.26 -0.24 118.68 123.71 2k6y s LEU 89 Ca 0.00 1.46 0.18 0.00 -1.03 0.00 0.00 54.13 54.74 2k6y s LEU 89 Cb 0.00 -3.54 0.92 0.00 0.03 0.00 0.00 46.19 43.60 2k6y s LEU 89 CO 0.00 -0.74 1.61 2.29 0.23 0.00 0.00 176.35 179.74 2k6y n LYS 90 N 6.51 1.21 -3.55 1.70 2.85 -1.15 -4.80 118.16 120.92 2k6y n LYS 90 Ca 0.13 -0.32 -0.11 0.00 -1.05 0.00 0.00 58.31 56.96 2k6y n LYS 90 Cb 0.46 -1.30 -0.04 0.00 -0.65 0.00 0.00 35.03 33.50 2k6y n LYS 90 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 2k6y s ARG 91 N -1.93 0.69 0.63 -1.58 1.70 -1.26 -4.99 118.95 112.21 2k6y s ARG 91 Ca 0.27 0.04 -0.17 0.00 -0.47 0.00 0.00 55.73 55.40 2k6y s ARG 91 Cb 0.13 0.32 -0.02 0.00 -0.57 0.00 0.00 34.95 34.82 2k6y s ARG 91 CO 0.21 -0.24 1.18 -1.25 -1.08 0.00 0.00 175.30 174.12 2k6y s PRO 92 N -1.65 2.81 0.15 3.89 0.04 -1.26 -4.95 135.00 134.03 2k6y s PRO 92 Ca -0.01 1.69 -0.14 0.00 0.04 0.00 0.00 61.00 62.59 2k6y s PRO 92 Cb -0.01 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.63 2k6y s PRO 92 CO -0.00 -1.30 0.37 -0.48 0.04 0.00 0.00 177.00 175.62 2k6y s LEU 93 N -4.43 0.62 0.16 -3.56 2.34 -1.26 -5.08 118.68 107.47 2k6y s LEU 93 Ca 0.74 -0.54 -0.16 0.00 0.06 0.00 0.00 54.13 54.22 2k6y s LEU 93 Cb -0.27 1.63 0.03 0.00 -0.56 0.00 0.00 46.19 47.02 2k6y s LEU 93 CO 0.37 -0.89 0.45 -1.59 -1.06 0.00 0.00 176.35 173.62 2k6y s LYS 94 N -3.87 1.22 0.18 1.48 -2.85 -1.26 -4.96 119.74 109.69 2k6y s LYS 94 Ca 0.08 -0.81 -0.30 0.00 -1.00 0.00 0.00 55.97 53.93 2k6y s LYS 94 Cb 0.02 0.49 -0.09 0.00 -2.06 0.00 0.00 37.83 36.19 2k6y s LYS 94 CO -0.07 -0.50 1.36 0.00 0.10 0.00 0.00 175.35 176.25 2k6y s ALA 95 N -3.85 3.57 0.00 0.59 0.00 -1.26 -1.88 121.76 118.93 2k6y s ALA 95 Ca 0.07 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.19 2k6y s ALA 95 Cb 0.01 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2k6y s ALA 95 CO -0.07 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.50 2k6y n GLY 96 N 2.68 0.69 3.69 0.00 0.00 -1.26 -5.09 105.19 105.89 2k6y n GLY 96 Ca 0.08 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.70 2.13 0.04 1.61 2.02 -0.79 -5.11 118.70 117.90 2k6y s GLU 97 Ca 0.00 -1.91 0.02 0.00 0.02 0.00 0.00 54.97 53.10 2k6y s GLU 97 Cb 0.00 -1.87 -0.02 0.00 0.10 0.00 0.00 34.13 32.33 2k6y s GLU 97 CO 0.00 -0.06 -0.07 -1.83 0.02 0.00 0.00 175.26 173.32 2k6y s GLU 98 N -3.82 0.50 -0.35 1.61 -1.05 -1.26 -2.76 118.70 111.57 2k6y s GLU 98 Ca 0.38 -0.75 0.00 0.00 -0.15 0.00 0.00 54.97 54.45 2k6y s GLU 98 Cb 0.05 -0.22 0.09 0.00 -0.44 0.00 0.00 34.13 33.61 2k6y s GLU 98 CO 0.21 0.03 0.08 0.08 0.95 0.00 0.00 175.26 176.60 2k6y s VAL 99 N -1.47 2.77 0.28 1.83 1.01 0.11 -4.87 120.40 120.05 2k6y s VAL 99 Ca -0.10 -1.96 -0.30 0.00 0.00 0.00 0.00 61.98 59.61 2k6y s VAL 99 Cb -0.09 -2.85 -0.12 0.00 0.00 0.00 0.00 36.38 33.32 2k6y s VAL 99 CO -0.00 -0.46 1.63 1.21 0.00 0.00 0.00 175.10 177.48 2k6y n GLU 100 N 4.47 2.74 -3.77 2.72 4.07 -1.25 -1.26 120.64 128.35 2k6y n GLU 100 Ca -0.04 0.98 -0.15 0.00 -0.06 0.00 0.00 57.16 57.89 2k6y n GLU 100 Cb 0.42 -2.78 -0.16 0.00 -0.06 0.00 0.00 31.44 28.87 2k6y n GLU 100 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2k6y s LEU 101 N -0.14 1.01 -0.72 4.31 1.43 -0.36 -4.23 118.68 119.97 2k6y s LEU 101 Ca 0.66 0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.76 2k6y s LEU 101 Cb -0.49 0.05 0.19 0.00 0.03 0.00 0.00 46.19 45.96 2k6y s LEU 101 CO 0.45 -0.13 0.62 -1.81 0.23 0.00 0.00 176.35 175.71 2k6y s ASP 102 N 1.07 6.25 -0.39 2.29 1.01 0.48 -2.57 116.67 124.81 2k6y s ASP 102 Ca -0.09 -2.56 -0.29 0.00 0.71 0.00 0.00 52.55 50.33 2k6y s ASP 102 Cb -0.12 -2.11 0.02 0.00 1.01 0.00 0.00 42.92 41.71 2k6y s ASP 102 CO -0.04 -0.57 1.24 -0.76 0.21 0.00 0.00 175.17 175.25 2k6y s LEU 103 N 0.38 3.73 -0.10 1.23 1.43 -0.15 -1.14 118.68 124.07 2k6y s LEU 103 Ca 0.15 0.84 -0.23 0.00 -1.03 0.00 0.00 54.13 53.85 2k6y s LEU 103 Cb -0.16 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 2k6y s LEU 103 CO -0.06 -1.20 0.72 -0.76 0.23 0.00 0.00 176.35 175.28 2k6y s LEU 104 N 4.56 4.27 0.02 1.79 1.43 -0.09 -2.05 118.68 128.61 2k6y s LEU 104 Ca 0.53 1.14 0.08 0.00 -1.03 0.00 0.00 54.13 54.85 2k6y s LEU 104 Cb -0.12 -3.09 -0.02 0.00 0.03 0.00 0.00 46.19 42.99 2k6y s LEU 104 CO 0.27 -0.18 -0.23 -0.36 0.23 0.00 0.00 176.35 176.07 2k6y s PHE 105 N 1.17 2.07 0.18 0.29 0.08 -0.10 -0.14 117.98 121.52 2k6y s PHE 105 Ca 0.37 -0.39 -0.33 0.00 0.12 0.00 0.00 56.93 56.69 2k6y s PHE 105 Cb -0.17 -1.27 -0.15 0.00 -0.57 0.00 0.00 43.02 40.86 2k6y s PHE 105 CO 0.16 0.05 1.34 0.00 -0.10 0.00 0.00 175.22 176.68 2k6y n ALA 106 N 2.08 0.16 0.00 5.36 0.00 0.06 -2.90 120.51 125.26 2k6y n ALA 106 Ca -0.16 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2k6y n ALA 106 Cb 0.52 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.80 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 2.38 0.15 2.91 0.00 0.00 -1.26 -4.52 105.19 104.85 2k6y n GLY 107 Ca 0.15 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.74 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 5.01 3.15 -0.02 0.00 -1.26 -5.01 105.19 107.06 2k6y n GLY 108 Ca 0.00 -2.68 -0.18 0.00 0.00 0.00 0.00 46.02 43.15 2k6y n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k6y s LYS 109 N -2.59 0.82 -0.17 1.61 3.01 -1.14 -5.06 119.74 116.21 2k6y s LYS 109 Ca 0.33 -0.87 -0.16 0.00 -1.01 0.00 0.00 55.97 54.26 2k6y s LYS 109 Cb 0.05 -0.81 0.05 0.00 -1.01 0.00 0.00 37.83 36.11 2k6y s LYS 109 CO 0.06 0.19 0.46 0.54 0.51 0.00 0.00 175.35 177.11 2k6y s VAL 110 N -1.14 -0.00 0.06 3.17 0.11 -1.26 -0.93 120.40 120.41 2k6y s VAL 110 Ca -0.02 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.12 2k6y s VAL 110 Cb -0.09 -0.65 -0.03 0.00 -1.53 0.00 0.00 36.38 34.08 2k6y s VAL 110 CO 0.02 0.00 -0.22 -0.76 -3.33 0.00 0.00 175.10 170.81 2k6y s LEU 111 N 0.28 2.19 0.00 2.54 1.43 -0.87 -4.94 118.68 119.31 2k6y s LEU 111 Ca -0.00 -0.57 0.04 0.00 -1.03 0.00 0.00 54.13 52.57 2k6y s LEU 111 Cb -0.03 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 2k6y s LEU 111 CO 0.00 0.16 -0.11 -0.54 0.23 0.00 0.00 176.35 176.10 2k6y s LYS 112 N -1.33 2.42 -0.27 1.70 1.02 -1.26 -0.98 119.74 121.05 2k6y s LYS 112 Ca 0.08 -0.78 -0.13 0.00 0.02 0.00 0.00 55.97 55.16 2k6y s LYS 112 Cb -0.09 -2.40 0.10 0.00 -0.52 0.00 0.00 37.83 34.92 2k6y s LYS 112 CO 0.02 0.59 0.63 0.14 -0.92 0.00 0.00 175.35 175.81 2k6y s VAL 113 N -0.93 -0.42 -0.24 3.17 -7.23 -1.06 -4.99 120.40 108.71 2k6y s VAL 113 Ca 0.15 0.02 -0.18 0.00 -1.81 0.00 0.00 61.98 60.17 2k6y s VAL 113 Cb -0.11 -0.94 -0.03 0.00 0.56 0.00 0.00 36.38 35.86 2k6y s VAL 113 CO 0.06 0.01 0.51 0.54 -0.31 0.00 0.00 175.10 175.90 2k6y s VAL 114 N 2.15 5.09 0.02 1.32 0.11 -1.26 -1.23 120.40 126.60 2k6y s VAL 114 Ca -0.08 0.89 0.04 0.00 -2.93 0.00 0.00 61.98 59.90 2k6y s VAL 114 Cb -0.08 -3.82 -0.01 0.00 -1.53 0.00 0.00 36.38 30.93 2k6y s VAL 114 CO -0.18 0.13 -0.11 -0.76 -3.33 0.00 0.00 175.10 170.84 2k6y s LEU 115 N 2.02 2.10 0.55 2.54 1.43 -0.39 -4.90 118.68 122.04 2k6y s LEU 115 Ca 0.22 -0.32 -0.19 0.00 -1.03 0.00 0.00 54.13 52.80 2k6y s LEU 115 Cb -0.15 -0.50 -0.05 0.00 0.03 0.00 0.00 46.19 45.51 2k6y s LEU 115 CO 0.09 0.05 1.14 -2.16 0.23 0.00 0.00 176.35 175.70 2k6y s PRO 116 N -0.72 3.30 -0.07 1.29 0.04 -1.26 0.05 135.00 137.63 2k6y s PRO 116 Ca 0.01 1.62 -0.30 0.00 0.04 0.00 0.00 61.00 62.38 2k6y s PRO 116 Cb -0.06 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 2k6y s PRO 116 CO 0.00 -0.89 0.99 0.08 0.04 0.00 0.00 177.00 177.22 2k6y s VAL 117 N -1.78 4.82 0.03 -0.36 1.01 -1.11 -1.38 120.40 121.62 2k6y s VAL 117 Ca 0.73 2.04 -0.12 0.00 0.00 0.00 0.00 61.98 64.63 2k6y s VAL 117 Cb -0.24 -4.31 -0.06 0.00 0.00 0.00 0.00 36.38 31.77 2k6y s VAL 117 CO 0.28 0.06 0.40 -0.70 0.00 0.00 0.00 175.10 175.14 2k6y s GLU 118 N 1.66 3.83 -0.21 2.72 -6.30 0.14 -4.72 118.70 115.81 2k6y s GLU 118 Ca 0.49 0.29 -0.15 0.00 -2.50 0.00 0.00 54.97 53.10 2k6y s GLU 118 Cb -0.19 -3.11 0.06 0.00 0.00 0.00 0.00 34.13 30.89 2k6y s GLU 118 CO 0.21 0.63 0.54 0.00 0.02 0.00 0.00 175.26 176.67 2k6y s ALA 119 N -1.23 -1.40 0.00 6.30 0.00 -1.26 -0.38 121.76 123.79 2k6y s ALA 119 Ca 0.28 1.76 0.00 0.00 0.00 0.00 0.00 51.96 54.00 2k6y s ALA 119 Cb -0.15 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 21.93 2k6y s ALA 119 CO 0.15 -0.29 0.00 -2.13 0.00 0.00 0.00 175.76 173.49