#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 -1.25 0.19 1.61 3.41 -1.26 -4.99 113.62 111.33 2k6y n SER 2 Ca 0.00 -0.53 0.04 0.00 -0.26 0.00 0.00 58.87 58.11 2k6y n SER 2 Cb 0.00 -0.13 0.37 0.00 -0.26 0.00 0.00 64.21 64.19 2k6y n SER 2 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 2k6y h PHE 3 N -1.71 0.00 0.00 7.33 0.04 -2.06 -3.45 116.94 117.09 2k6y h PHE 3 Ca -0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2k6y h PHE 3 Cb 0.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.31 2k6y h PHE 3 CO 0.00 0.38 0.00 0.25 -0.60 0.00 0.00 178.31 178.34 2k6y n THR 4 N -3.85 0.00 -3.75 -1.55 -2.24 -1.26 -5.19 114.28 96.44 2k6y n THR 4 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2k6y n THR 4 Cb 0.45 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 2k6y n THR 4 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2k6y n GLU 5 N -3.30 1.00 -2.68 -0.78 2.13 -1.26 -4.74 120.64 111.02 2k6y n GLU 5 Ca 0.00 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.61 2k6y n GLU 5 Cb 0.00 0.00 0.03 0.00 0.27 0.00 0.00 31.44 31.74 2k6y n GLU 5 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2k6y s GLY 6 N -0.75 1.84 -0.21 8.31 0.00 -1.26 -4.45 107.32 110.79 2k6y s GLY 6 Ca 0.00 -1.36 -0.15 0.00 0.00 0.00 0.00 44.72 43.21 2k6y s GLY 6 CO 0.00 -1.09 0.53 0.66 0.00 0.00 0.00 173.10 173.21 2k6y s TRP 7 N -2.72 -0.72 -0.26 1.90 -2.14 -0.43 -4.30 118.94 110.28 2k6y s TRP 7 Ca 0.57 1.57 -0.11 0.00 2.66 0.00 0.00 56.10 60.79 2k6y s TRP 7 Cb -0.10 0.34 -0.05 0.00 -3.10 0.00 0.00 33.47 30.55 2k6y s TRP 7 CO 0.38 -0.37 0.17 0.08 -2.66 0.00 0.00 176.95 174.55 2k6y s VAL 8 N 1.03 5.34 -0.84 -0.66 1.01 -0.63 -2.37 120.40 123.27 2k6y s VAL 8 Ca -0.06 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.00 2k6y s VAL 8 Cb -0.06 -3.51 0.22 0.00 0.00 0.00 0.00 36.38 33.03 2k6y s VAL 8 CO -0.09 0.31 0.76 -0.60 0.00 0.00 0.00 175.10 175.47 2k6y s ARG 9 N 1.35 3.46 0.47 2.72 3.52 -0.13 -0.91 118.95 129.42 2k6y s ARG 9 Ca 0.07 -2.70 -0.24 0.00 -0.13 0.00 0.00 55.73 52.73 2k6y s ARG 9 Cb -0.15 -4.25 -0.08 0.00 -1.56 0.00 0.00 34.95 28.91 2k6y s ARG 9 CO 0.07 -1.25 1.28 0.34 -0.81 0.00 0.00 175.30 174.93 2k6y n PHE 10 N 3.46 2.11 -4.05 5.12 7.35 -0.02 -3.45 117.46 127.97 2k6y n PHE 10 Ca 0.15 0.47 -0.10 0.00 -0.76 0.00 0.00 57.45 57.22 2k6y n PHE 10 Cb 0.43 -2.36 -0.11 0.00 0.35 0.00 0.00 39.48 37.79 2k6y n PHE 10 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2k6y s SER 11 N -0.68 0.58 0.00 -2.13 0.15 -1.26 -4.33 113.70 106.04 2k6y s SER 11 Ca 0.65 -0.68 0.08 0.00 0.70 0.00 0.00 55.95 56.70 2k6y s SER 11 Cb -0.47 0.10 0.36 0.00 -1.71 0.00 0.00 66.02 64.30 2k6y s SER 11 CO 0.55 -0.36 1.25 -0.81 1.20 0.00 0.00 173.24 175.08 2k6y n PRO 12 N 1.04 0.01 0.00 5.44 -0.04 -1.26 -4.95 135.00 135.24 2k6y n PRO 12 Ca -0.20 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2k6y n PRO 12 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.64 1.11 0.00 0.55 0.00 -1.26 -4.96 105.19 99.99 2k6y n GLY 13 Ca 0.02 -2.25 0.13 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.69 0.20 -4.32 1.61 -0.04 -1.26 -5.01 135.00 125.48 2k6y n PRO 14 Ca 0.00 0.04 -0.17 0.00 -0.04 0.00 0.00 63.50 63.33 2k6y n PRO 14 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 2k6y n PRO 14 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2k6y s ASN 15 N -2.78 2.28 0.16 3.54 0.02 -1.26 -2.97 114.94 113.93 2k6y s ASN 15 Ca 0.19 -1.04 -0.04 0.00 -1.02 0.00 0.00 52.86 50.95 2k6y s ASN 15 Cb 0.17 -0.09 0.02 0.00 0.02 0.00 0.00 41.25 41.37 2k6y s ASN 15 CO 0.44 -0.25 0.29 0.00 0.02 0.00 0.00 177.10 177.60 2k6y n ALA 16 N -0.33 -0.54 -2.56 0.60 0.00 -1.03 -4.65 120.51 112.00 2k6y n ALA 16 Ca -0.08 -0.60 -0.10 0.00 0.00 0.00 0.00 53.44 52.66 2k6y n ALA 16 Cb 0.61 0.48 -0.11 0.00 0.00 0.00 0.00 19.45 20.43 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 -1.69 0.50 0.03 0.00 0.00 -1.22 -1.53 121.76 117.85 2k6y s ALA 17 Ca 0.09 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.13 2k6y s ALA 17 Cb -0.02 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 2k6y s ALA 17 CO 0.06 -0.20 -0.09 0.00 0.00 0.00 0.00 175.76 175.54 2k6y s ALA 18 N -2.52 0.73 0.05 0.00 0.00 -0.67 -0.96 121.76 118.39 2k6y s ALA 18 Ca -0.03 -0.65 -0.06 0.00 0.00 0.00 0.00 51.96 51.22 2k6y s ALA 18 Cb -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 2k6y s ALA 18 CO -0.04 0.09 0.10 0.71 0.00 0.00 0.00 175.76 176.62 2k6y s TYR 19 N -0.91 0.23 -0.03 0.00 2.02 -1.00 -1.96 117.35 115.70 2k6y s TYR 19 Ca -0.03 -0.59 -0.30 0.00 -0.37 0.00 0.00 57.07 55.78 2k6y s TYR 19 Cb -0.07 -0.16 0.11 0.00 -0.40 0.00 0.00 41.96 41.43 2k6y s TYR 19 CO 0.01 -0.40 0.94 -0.48 -1.57 0.00 0.00 175.55 174.04 2k6y s LEU 20 N -2.37 -0.32 0.35 -1.29 2.34 -1.26 -1.31 118.68 114.81 2k6y s LEU 20 Ca -0.01 -0.01 -0.21 0.00 0.06 0.00 0.00 54.13 53.96 2k6y s LEU 20 Cb 0.01 1.92 -0.10 0.00 -0.56 0.00 0.00 46.19 47.47 2k6y s LEU 20 CO -0.07 -0.56 0.88 -0.89 -1.06 0.00 0.00 176.35 174.65 2k6y s THR 21 N -3.01 4.42 -0.22 5.48 2.01 -1.26 -1.31 115.64 121.76 2k6y s THR 21 Ca 0.06 1.44 -0.13 0.00 0.31 0.00 0.00 61.69 63.37 2k6y s THR 21 Cb -0.01 -3.74 0.07 0.00 0.01 0.00 0.00 72.50 68.82 2k6y s THR 21 CO -0.08 -0.10 0.53 -0.22 -0.69 0.00 0.00 174.62 174.06 2k6y s LEU 22 N -2.69 -0.40 0.03 4.42 1.98 -0.72 -4.89 118.68 116.41 2k6y s LEU 22 Ca 0.55 1.15 0.05 0.00 -2.89 0.00 0.00 54.13 52.99 2k6y s LEU 22 Cb -0.13 1.81 -0.03 0.00 0.66 0.00 0.00 46.19 48.50 2k6y s LEU 22 CO 0.18 -0.21 -0.12 -1.83 -1.89 0.00 0.00 176.35 172.48 2k6y s GLU 23 N 1.30 2.31 -0.67 1.98 1.03 -1.26 -0.20 118.70 123.20 2k6y s GLU 23 Ca -0.08 -0.86 -0.18 0.00 0.03 0.00 0.00 54.97 53.88 2k6y s GLU 23 Cb -0.06 -2.35 0.13 0.00 -0.80 0.00 0.00 34.13 31.04 2k6y s GLU 23 CO -0.13 0.57 0.76 1.21 -1.33 0.00 0.00 175.26 176.33 2k6y s ASN 24 N -1.50 6.32 0.00 0.83 2.47 0.04 -4.92 114.94 118.18 2k6y s ASN 24 Ca 0.16 -1.71 0.24 0.00 0.42 0.00 0.00 52.86 51.97 2k6y s ASN 24 Cb -0.11 -2.30 1.12 0.00 -1.45 0.00 0.00 41.25 38.51 2k6y s ASN 24 CO 0.07 -1.02 1.79 -0.81 -3.72 0.00 0.00 177.10 173.42 2k6y n PRO 25 N 5.96 0.15 -2.21 0.43 -0.04 -1.26 -0.87 135.00 137.16 2k6y n PRO 25 Ca -0.02 0.07 -0.27 0.00 -0.04 0.00 0.00 63.50 63.24 2k6y n PRO 25 Cb 0.44 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.53 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 -2.82 1.75 0.00 0.55 0.00 -1.26 -4.67 107.32 100.87 2k6y s GLY 26 Ca 0.17 -1.34 0.22 0.00 0.00 0.00 0.00 44.72 43.77 2k6y s GLY 26 CO 0.41 -0.71 1.05 1.22 0.00 0.00 0.00 173.10 175.08 2k6y n ASP 27 N -3.29 1.89 -4.47 1.64 9.92 -1.26 -2.47 116.55 118.51 2k6y n ASP 27 Ca 0.14 -1.44 -0.24 0.00 -0.53 0.00 0.00 54.79 52.72 2k6y n ASP 27 Cb 0.60 0.54 -0.10 0.00 -0.64 0.00 0.00 41.12 41.52 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 -2.51 2.60 0.63 0.64 0.05 -1.26 -4.80 118.68 114.02 2k6y s LEU 28 Ca 0.17 -1.04 -0.12 0.00 0.05 0.00 0.00 54.13 53.19 2k6y s LEU 28 Cb 0.18 -1.07 -0.03 0.00 -2.05 0.00 0.00 46.19 43.21 2k6y s LEU 28 CO 0.60 0.01 1.04 -2.16 -0.55 0.00 0.00 176.35 175.29 2k6y s PRO 29 N -3.52 3.42 0.02 1.48 0.04 -1.26 -4.33 135.00 130.83 2k6y s PRO 29 Ca 0.30 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.22 2k6y s PRO 29 Cb -0.04 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2k6y s PRO 29 CO 0.15 -0.71 0.09 -0.51 0.04 0.00 0.00 177.00 176.05 2k6y s LEU 30 N -5.07 3.92 -0.18 -3.56 1.43 -0.19 -4.98 118.68 110.05 2k6y s LEU 30 Ca 0.57 0.13 -0.02 0.00 -1.03 0.00 0.00 54.13 53.79 2k6y s LEU 30 Cb -0.12 -2.37 0.05 0.00 0.03 0.00 0.00 46.19 43.78 2k6y s LEU 30 CO 0.50 0.25 -0.00 -0.60 0.23 0.00 0.00 176.35 176.72 2k6y s ARG 31 N -1.92 1.01 -0.34 1.70 3.52 -1.26 -0.17 118.95 121.48 2k6y s ARG 31 Ca 0.25 -0.48 -0.14 0.00 -0.13 0.00 0.00 55.73 55.22 2k6y s ARG 31 Cb -0.12 -2.05 -0.02 0.00 -1.56 0.00 0.00 34.95 31.21 2k6y s ARG 31 CO 0.17 -0.55 0.33 -1.17 -0.81 0.00 0.00 175.30 173.27 2k6y s LEU 32 N 1.74 4.44 0.00 -0.88 2.96 0.43 -0.85 118.68 126.52 2k6y s LEU 32 Ca -0.01 -0.26 0.07 0.00 -0.22 0.00 0.00 54.13 53.72 2k6y s LEU 32 Cb -0.16 -2.28 -0.08 0.00 0.50 0.00 0.00 46.19 44.16 2k6y s LEU 32 CO -0.07 -0.30 0.32 1.33 -1.32 0.00 0.00 176.35 176.31 2k6y n VAL 33 N 5.20 0.00 -3.16 1.68 0.24 0.66 -0.55 118.33 122.40 2k6y n VAL 33 Ca -0.10 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 2k6y n VAL 33 Cb 0.50 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.87 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 1.17 -1.18 2.99 7.63 0.00 -1.14 -4.84 105.19 109.83 2k6y n GLY 34 Ca 0.01 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.12 -3.30 4.61 0.00 -1.26 -1.33 120.51 119.11 2k6y n ALA 35 Ca 0.00 -1.51 -0.13 0.00 0.00 0.00 0.00 53.44 51.80 2k6y n ALA 35 Cb 0.00 1.22 -0.10 0.00 0.00 0.00 0.00 19.45 20.57 2k6y n ALA 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k6y s ARG 36 N -2.81 0.48 0.05 0.00 3.52 -0.18 -4.84 118.95 115.16 2k6y s ARG 36 Ca 0.28 0.57 -0.10 0.00 -0.13 0.00 0.00 55.73 56.34 2k6y s ARG 36 Cb -0.00 0.23 0.01 0.00 -1.56 0.00 0.00 34.95 33.62 2k6y s ARG 36 CO 0.20 -0.06 0.22 -0.08 -0.81 0.00 0.00 175.30 174.77 2k6y s THR 37 N 0.22 0.11 0.33 4.11 -1.32 -1.26 -0.89 115.64 116.94 2k6y s THR 37 Ca -0.00 -0.88 0.12 0.00 -1.21 0.00 0.00 61.69 59.72 2k6y s THR 37 Cb -0.03 -0.96 0.05 0.00 -1.51 0.00 0.00 72.50 70.05 2k6y s THR 37 CO 0.01 -0.49 1.74 1.55 -2.21 0.00 0.00 174.62 175.22 2k6y h PRO 38 N 3.33 0.00 0.00 7.08 0.13 -1.98 -3.35 132.00 137.21 2k6y h PRO 38 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 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 0.49 0.47 -0.54 -0.39 -0.23 0.00 0.00 178.00 177.80 2k6y h VAL 39 N 0.00 0.00 -2.35 1.56 -1.51 -1.89 -3.35 116.25 108.70 2k6y h VAL 39 Ca -0.00 -1.00 -0.59 0.00 -1.23 0.00 0.00 66.70 63.88 2k6y h VAL 39 Cb 0.83 1.73 -0.12 0.00 -2.13 0.00 0.00 31.29 31.60 2k6y h VAL 39 CO 0.06 0.00 -0.70 0.00 -1.23 0.00 0.00 177.57 175.70 2k6y s ALA 40 N -3.29 2.97 0.00 5.19 0.00 -1.26 -2.25 121.76 123.11 2k6y s ALA 40 Ca 0.03 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.28 2k6y s ALA 40 Cb 0.07 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.62 2k6y s ALA 40 CO 0.73 0.30 0.00 -1.91 0.00 0.00 0.00 175.76 174.89 2k6y n GLU 41 N -0.63 0.00 -2.54 0.00 4.07 0.43 -4.62 120.64 117.35 2k6y n GLU 41 Ca -0.07 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.60 2k6y n GLU 41 Cb 0.59 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.95 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 0.18 3.71 0.29 5.31 3.52 -0.05 -4.88 118.95 127.02 2k6y s ARG 42 Ca 0.00 0.70 -0.28 0.00 -0.13 0.00 0.00 55.73 56.02 2k6y s ARG 42 Cb 0.00 -3.93 -0.09 0.00 -1.56 0.00 0.00 34.95 29.37 2k6y s ARG 42 CO 0.00 -1.40 0.95 0.54 -0.81 0.00 0.00 175.30 174.58 2k6y s VAL 43 N 4.66 4.10 -0.05 7.11 0.11 -1.26 -0.58 120.40 134.49 2k6y s VAL 43 Ca 0.51 1.91 -0.02 0.00 -2.93 0.00 0.00 61.98 61.46 2k6y s VAL 43 Cb -0.09 -4.14 0.04 0.00 -1.53 0.00 0.00 36.38 30.66 2k6y s VAL 43 CO 0.31 0.30 0.10 -1.61 -3.33 0.00 0.00 175.10 170.88 2k6y s GLU 44 N -1.66 0.03 -0.32 1.54 2.02 -0.74 -4.98 118.70 114.59 2k6y s GLU 44 Ca 0.46 0.33 -0.29 0.00 0.02 0.00 0.00 54.97 55.49 2k6y s GLU 44 Cb -0.23 -0.23 0.02 0.00 0.10 0.00 0.00 34.13 33.79 2k6y s GLU 44 CO 0.28 -0.19 1.06 -1.17 0.02 0.00 0.00 175.26 175.26 2k6y s LEU 45 N 1.30 3.94 0.17 1.80 0.20 -1.26 -0.72 118.68 124.12 2k6y s LEU 45 Ca -0.07 1.03 0.06 0.00 0.69 0.00 0.00 54.13 55.84 2k6y s LEU 45 Cb -0.12 -3.51 -0.04 0.00 -0.43 0.00 0.00 46.19 42.08 2k6y s LEU 45 CO -0.05 -0.86 0.08 -1.00 -0.29 0.00 0.00 176.35 174.23 2k6y s HIS 46 N 3.61 3.01 0.07 5.38 3.76 0.08 -1.00 115.29 130.20 2k6y s HIS 46 Ca 0.45 -0.07 0.01 0.00 -0.15 0.00 0.00 55.06 55.29 2k6y s HIS 46 Cb -0.12 -1.45 0.01 0.00 1.11 0.00 0.00 32.58 32.13 2k6y s HIS 46 CO 0.15 0.52 0.07 -0.85 -0.85 0.00 0.00 174.74 173.79 2k6y n GLU 47 N -0.30 1.20 -3.54 1.40 0.28 -0.03 -0.73 120.64 118.92 2k6y n GLU 47 Ca -0.09 -0.41 -0.15 0.00 -0.16 0.00 0.00 57.16 56.34 2k6y n GLU 47 Cb 0.55 0.01 -0.13 0.00 1.43 0.00 0.00 31.44 33.31 2k6y n GLU 47 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2k6y s THR 48 N 0.04 -0.39 0.49 3.84 2.01 -0.07 -3.65 115.64 117.91 2k6y s THR 48 Ca 0.05 0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.19 2k6y s THR 48 Cb -0.00 -0.59 0.03 0.00 0.01 0.00 0.00 72.50 71.94 2k6y s THR 48 CO 0.03 -0.06 0.56 0.72 -0.69 0.00 0.00 174.62 175.19 2k6y s PHE 49 N 2.39 2.15 0.19 4.92 -0.12 -0.18 -4.38 117.98 122.94 2k6y s PHE 49 Ca 0.05 -0.60 0.11 0.00 -0.05 0.00 0.00 56.93 56.44 2k6y s PHE 49 Cb -0.14 -2.20 -0.04 0.00 -0.63 0.00 0.00 43.02 40.01 2k6y s PHE 49 CO -0.11 -0.59 -0.19 0.00 -0.05 0.00 0.00 175.22 174.28 2k6y s MET 50 N -4.38 1.70 0.19 1.99 0.23 -1.26 -2.04 119.30 115.72 2k6y s MET 50 Ca 0.52 -1.45 -0.18 0.00 -1.03 0.00 0.00 55.69 53.56 2k6y s MET 50 Cb -0.06 -1.95 0.03 0.00 -1.53 0.00 0.00 34.83 31.33 2k6y s MET 50 CO 0.32 0.41 0.53 -0.98 -2.03 0.00 0.00 175.02 173.26 2k6y s ARG 51 N -2.74 1.37 0.19 3.16 1.70 0.32 -4.99 118.95 117.96 2k6y s ARG 51 Ca 0.22 -0.84 -0.21 0.00 -0.47 0.00 0.00 55.73 54.43 2k6y s ARG 51 Cb -0.08 0.52 -0.08 0.00 -0.57 0.00 0.00 34.95 34.74 2k6y s ARG 51 CO 0.12 -0.58 0.72 -2.00 -1.08 0.00 0.00 175.30 172.47 2k6y s GLU 52 N -3.87 4.33 0.00 3.89 2.56 -1.26 -0.49 118.70 123.86 2k6y s GLU 52 Ca 0.09 0.93 0.00 0.00 0.00 0.00 0.00 54.97 55.99 2k6y s GLU 52 Cb -0.01 -3.04 0.00 0.00 2.00 0.00 0.00 34.13 33.08 2k6y s GLU 52 CO -0.03 0.48 0.00 0.28 -0.56 0.00 0.00 175.26 175.42 2k6y n VAL 53 N 1.10 0.00 -0.09 3.70 0.31 -0.30 -4.89 118.33 118.16 2k6y n VAL 53 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 2k6y n VAL 53 Cb 0.50 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 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 0.00 0.83 -0.62 5.55 2.13 -1.26 -4.54 120.64 122.73 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 -1.08 0.00 0.00 0.27 0.00 0.00 31.44 30.63 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 1.32 0.21 3.86 8.31 0.00 -1.26 -4.98 105.19 112.65 2k6y n GLY 55 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.82 3.74 0.22 1.61 1.02 -1.26 -5.03 119.74 119.22 2k6y s LYS 56 Ca 0.00 0.19 -0.30 0.00 0.02 0.00 0.00 55.97 55.89 2k6y s LYS 56 Cb 0.00 -3.16 -0.09 0.00 -0.52 0.00 0.00 37.83 34.06 2k6y s LYS 56 CO 0.00 0.69 1.17 0.15 -0.92 0.00 0.00 175.35 176.44 2k6y s LYS 57 N -1.27 4.53 0.01 1.68 -0.14 -1.26 -1.14 119.74 122.14 2k6y s LYS 57 Ca 0.24 1.86 0.00 0.00 -1.36 0.00 0.00 55.97 56.71 2k6y s LYS 57 Cb -0.15 -3.22 -0.01 0.00 -1.68 0.00 0.00 37.83 32.78 2k6y s LYS 57 CO 0.12 0.01 -0.01 0.08 -0.76 0.00 0.00 175.35 174.79 2k6y s VAL 58 N -0.46 0.06 0.04 3.17 1.01 0.35 -4.90 120.40 119.67 2k6y s VAL 58 Ca 0.50 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 62.24 2k6y s VAL 58 Cb -0.33 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 2k6y s VAL 58 CO 0.39 -0.15 -0.14 -0.04 0.00 0.00 0.00 175.10 175.15 2k6y s MET 59 N -0.47 2.18 0.26 2.72 -1.94 -1.26 -0.52 119.30 120.26 2k6y s MET 59 Ca -0.05 -0.93 -0.19 0.00 -1.71 0.00 0.00 55.69 52.81 2k6y s MET 59 Cb -0.03 -2.27 0.02 0.00 2.01 0.00 0.00 34.83 34.55 2k6y s MET 59 CO -0.00 0.55 0.63 0.20 -0.01 0.00 0.00 175.02 176.38 2k6y s GLY 60 N -1.55 0.05 0.27 -0.03 0.00 -0.87 -5.01 107.32 100.18 2k6y s GLY 60 Ca 0.16 -0.41 0.06 0.00 0.00 0.00 0.00 44.72 44.54 2k6y s GLY 60 CO 0.07 -0.24 0.29 1.06 0.00 0.00 0.00 173.10 174.29 2k6y s MET 61 N -3.93 3.11 -0.08 2.90 -1.94 -1.26 -1.01 119.30 117.08 2k6y s MET 61 Ca 0.13 -0.97 -0.30 0.00 -1.71 0.00 0.00 55.69 52.85 2k6y s MET 61 Cb -0.04 -2.70 0.11 0.00 2.01 0.00 0.00 34.83 34.21 2k6y s MET 61 CO 0.05 0.34 0.91 -0.98 -0.01 0.00 0.00 175.02 175.34 2k6y s ARG 62 N -3.94 0.74 0.55 2.03 1.70 -1.24 -4.97 118.95 113.82 2k6y s ARG 62 Ca 0.35 -0.04 -0.19 0.00 -0.47 0.00 0.00 55.73 55.38 2k6y s ARG 62 Cb -0.08 0.35 -0.05 0.00 -0.57 0.00 0.00 34.95 34.59 2k6y s ARG 62 CO 0.27 -0.28 1.14 -1.25 -1.08 0.00 0.00 175.30 174.11 2k6y s PRO 63 N -2.01 3.29 0.25 3.89 0.04 -1.26 -0.85 135.00 138.34 2k6y s PRO 63 Ca 0.00 1.65 0.10 0.00 0.04 0.00 0.00 61.00 62.79 2k6y s PRO 63 Cb -0.01 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 2k6y s PRO 63 CO -0.02 -0.91 -0.08 0.14 0.04 0.00 0.00 177.00 176.17 2k6y s VAL 64 N -1.74 3.14 -0.19 -0.36 -7.23 -0.17 -4.84 120.40 109.01 2k6y s VAL 64 Ca 0.74 -1.96 0.28 0.00 -1.81 0.00 0.00 61.98 59.23 2k6y s VAL 64 Cb -0.25 -2.64 0.31 0.00 0.56 0.00 0.00 36.38 34.36 2k6y s VAL 64 CO 0.28 -0.31 1.85 1.55 -0.31 0.00 0.00 175.10 178.16 2k6y h PRO 65 N 2.27 0.00 0.00 4.82 0.13 -1.98 -3.44 132.00 133.80 2k6y h PRO 65 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2k6y h PRO 65 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k6y h PRO 65 CO 0.58 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.32 2k6y n PHE 66 N -2.60 0.00 -3.44 1.56 1.16 -1.26 -4.85 117.46 108.04 2k6y n PHE 66 Ca 0.01 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.39 2k6y n PHE 66 Cb 0.24 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.09 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 3.40 0.10 5.98 1.43 0.28 -4.99 118.68 124.89 2k6y s LEU 67 Ca 0.00 -0.71 -0.18 0.00 -1.03 0.00 0.00 54.13 52.22 2k6y s LEU 67 Cb 0.00 -2.12 0.04 0.00 0.03 0.00 0.00 46.19 44.14 2k6y s LEU 67 CO 0.00 -0.73 0.43 -1.83 0.23 0.00 0.00 176.35 174.45 2k6y s GLU 68 N -4.21 1.04 -0.03 1.70 -1.05 -1.26 -0.42 118.70 114.47 2k6y s GLU 68 Ca 0.50 -0.55 -0.00 0.00 -0.15 0.00 0.00 54.97 54.76 2k6y s GLU 68 Cb -0.05 0.46 0.03 0.00 -0.44 0.00 0.00 34.13 34.13 2k6y s GLU 68 CO 0.29 -0.39 0.03 0.08 0.95 0.00 0.00 175.26 176.22 2k6y s VAL 69 N -3.31 -0.01 0.79 1.83 1.01 0.76 -4.97 120.40 116.49 2k6y s VAL 69 Ca -0.00 0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.09 2k6y s VAL 69 Cb 0.01 -0.14 0.06 0.00 0.00 0.00 0.00 36.38 36.31 2k6y s VAL 69 CO -0.08 0.12 1.08 -2.16 0.00 0.00 0.00 175.10 174.06 2k6y s PRO 70 N 1.24 2.18 0.37 2.72 0.04 -1.26 -1.03 135.00 139.27 2k6y s PRO 70 Ca -0.07 0.86 -0.28 0.00 0.04 0.00 0.00 61.00 61.55 2k6y s PRO 70 Cb -0.13 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.39 2k6y s PRO 70 CO -0.03 -1.61 1.51 -1.25 0.04 0.00 0.00 177.00 175.67 2k6y s PRO 71 N -5.04 4.09 0.00 0.56 0.04 -1.26 -2.72 135.00 130.67 2k6y s PRO 71 Ca 0.61 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 0.00 177.00 178.65 2k6y n LYS 72 N 0.62 -0.31 -3.58 4.56 4.76 -0.05 -4.99 118.16 119.18 2k6y n LYS 72 Ca 0.02 0.08 -0.35 0.00 -2.87 0.00 0.00 58.31 55.18 2k6y n LYS 72 Cb 0.39 -3.73 -0.06 0.00 -1.84 0.00 0.00 35.03 29.79 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 2.35 0.13 0.72 0.00 -1.10 -4.92 107.32 102.50 2k6y s GLY 73 Ca 0.00 -0.37 0.10 0.00 0.00 0.00 0.00 44.72 44.44 2k6y s GLY 73 CO 0.00 -0.13 -0.20 1.09 0.00 0.00 0.00 173.10 173.86 2k6y s ARG 74 N -1.74 1.70 0.36 2.90 1.70 -1.26 -0.78 118.95 121.82 2k6y s ARG 74 Ca 0.31 -1.25 0.07 0.00 -0.47 0.00 0.00 55.73 54.38 2k6y s ARG 74 Cb -0.14 -2.05 -0.07 0.00 -0.57 0.00 0.00 34.95 32.12 2k6y s ARG 74 CO 0.17 0.46 -0.01 0.14 -1.08 0.00 0.00 175.30 174.98 2k6y s VAL 75 N -1.21 1.81 -0.03 4.99 -7.23 0.72 -4.98 120.40 114.48 2k6y s VAL 75 Ca 0.18 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.30 2k6y s VAL 75 Cb -0.10 -2.81 0.01 0.00 0.56 0.00 0.00 36.38 34.05 2k6y s VAL 75 CO 0.10 -0.08 -0.04 -1.61 -0.31 0.00 0.00 175.10 173.15 2k6y s GLU 76 N -3.73 0.66 -1.20 4.82 2.02 -1.26 -1.76 118.70 118.25 2k6y s GLU 76 Ca 0.34 -0.12 -0.20 0.00 0.02 0.00 0.00 54.97 55.01 2k6y s GLU 76 Cb 0.07 -0.68 -0.03 0.00 0.10 0.00 0.00 34.13 33.59 2k6y s GLU 76 CO 0.16 -0.02 1.90 1.28 0.02 0.00 0.00 175.26 178.60 2k6y n LEU 77 N 3.71 4.31 -4.68 1.80 4.32 -0.42 -4.94 117.00 121.08 2k6y n LEU 77 Ca -0.22 -3.50 -0.42 0.00 -0.02 0.00 0.00 56.01 51.84 2k6y n LEU 77 Cb 0.53 -1.64 -0.03 0.00 -1.62 0.00 0.00 43.42 40.66 2k6y n LEU 77 CO 0.24 -0.59 1.38 -1.59 -1.22 0.00 0.00 177.39 175.60 2k6y s LYS 78 N 5.10 4.18 0.14 3.23 -2.85 -1.20 -4.54 119.74 123.80 2k6y s LYS 78 Ca 0.59 2.36 -0.28 0.00 -1.00 0.00 0.00 55.97 57.64 2k6y s LYS 78 Cb 0.05 -3.72 -0.03 0.00 -2.06 0.00 0.00 37.83 32.07 2k6y s LYS 78 CO 0.09 -0.78 1.57 -1.00 0.10 0.00 0.00 175.35 175.33 2k6y h PRO 79 N 8.77 -0.38 -2.76 1.78 0.13 -1.93 -0.27 132.00 137.33 2k6y h PRO 79 Ca -0.43 0.03 -0.48 0.00 -0.87 0.00 0.00 66.00 64.24 2k6y h PRO 79 Cb 1.20 0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 2k6y h PRO 79 CO 0.94 -0.25 2.40 0.41 -0.23 0.00 0.00 178.00 181.27 2k6y n GLY 80 N -1.42 3.68 0.75 1.56 0.00 -1.26 -3.79 105.19 104.70 2k6y n GLY 80 Ca -0.02 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 3.27 -0.78 3.36 -0.02 0.00 -0.60 -4.81 105.19 105.62 2k6y n GLY 81 Ca 0.63 0.22 -0.13 0.00 0.00 0.00 0.00 46.02 46.74 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 -2.00 -0.50 0.17 1.61 2.02 -0.21 -0.89 117.35 117.55 2k6y s TYR 82 Ca 0.00 1.22 -0.24 0.00 -0.37 0.00 0.00 57.07 57.68 2k6y s TYR 82 Cb 0.00 0.18 0.07 0.00 -0.40 0.00 0.00 41.96 41.80 2k6y s TYR 82 CO 0.00 -0.26 0.97 -3.38 -1.57 0.00 0.00 175.55 171.31 2k6y s HIS 83 N 0.18 -0.07 -0.20 2.71 -3.43 0.09 -3.27 115.29 111.30 2k6y s HIS 83 Ca -0.01 -0.28 -0.07 0.00 -0.80 0.00 0.00 55.06 53.91 2k6y s HIS 83 Cb -0.03 0.66 -0.04 0.00 -1.43 0.00 0.00 32.58 31.75 2k6y s HIS 83 CO 0.01 -0.89 0.05 -0.06 -2.00 0.00 0.00 174.74 171.85 2k6y s PHE 84 N -3.00 3.17 0.07 0.38 0.08 -0.83 -0.74 117.98 117.11 2k6y s PHE 84 Ca 0.14 -0.12 -0.23 0.00 0.12 0.00 0.00 56.93 56.85 2k6y s PHE 84 Cb -0.02 -2.12 -0.06 0.00 -0.57 0.00 0.00 43.02 40.25 2k6y s PHE 84 CO 0.03 -0.03 0.68 -1.64 -0.10 0.00 0.00 175.22 174.16 2k6y s MET 85 N 0.78 4.40 -0.62 0.44 -1.94 0.10 -1.67 119.30 120.80 2k6y s MET 85 Ca 0.03 0.93 0.00 0.00 -1.71 0.00 0.00 55.69 54.94 2k6y s MET 85 Cb -0.14 -3.30 0.16 0.00 2.01 0.00 0.00 34.83 33.56 2k6y s MET 85 CO 0.02 0.47 0.41 -0.51 -0.01 0.00 0.00 175.02 175.41 2k6y s LEU 86 N -0.66 4.92 -0.64 -0.03 1.43 -0.58 -1.79 118.68 121.33 2k6y s LEU 86 Ca 0.34 -3.05 -0.23 0.00 -1.03 0.00 0.00 54.13 50.15 2k6y s LEU 86 Cb -0.20 -1.77 0.06 0.00 0.03 0.00 0.00 46.19 44.30 2k6y s LEU 86 CO 0.22 -0.29 0.98 -0.76 0.23 0.00 0.00 176.35 176.73 2k6y s LEU 87 N -0.35 4.20 0.00 1.79 1.43 0.25 -2.45 118.68 123.55 2k6y s LEU 87 Ca 0.18 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 2k6y s LEU 87 Cb -0.20 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.48 2k6y s LEU 87 CO -0.04 -1.42 0.00 0.61 0.23 0.00 0.00 176.35 175.74 2k6y n GLY 88 N 5.28 -0.81 3.23 -3.19 0.00 -1.16 -0.87 105.19 107.66 2k6y n GLY 88 Ca -0.02 -1.23 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.68 3.72 0.00 0.99 1.43 -1.25 -0.43 118.68 122.45 2k6y s LEU 89 Ca 0.00 -1.02 0.25 0.00 -1.03 0.00 0.00 54.13 52.33 2k6y s LEU 89 Cb 0.00 -1.75 0.49 0.00 0.03 0.00 0.00 46.19 44.96 2k6y s LEU 89 CO 0.00 -0.21 1.40 2.29 0.23 0.00 0.00 176.35 180.06 2k6y n LYS 90 N 4.71 0.07 -3.84 1.70 2.85 -0.96 -4.90 118.16 117.80 2k6y n LYS 90 Ca -0.14 -0.04 -0.12 0.00 -1.05 0.00 0.00 58.31 56.96 2k6y n LYS 90 Cb 0.46 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 33.24 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 -2.96 0.58 0.96 -1.58 1.81 -1.23 -5.02 118.95 111.52 2k6y s ARG 91 Ca 0.12 -0.39 -0.15 0.00 -1.72 0.00 0.00 55.73 53.59 2k6y s ARG 91 Cb 0.18 0.24 0.18 0.00 -0.45 0.00 0.00 34.95 35.10 2k6y s ARG 91 CO 0.69 -0.15 1.22 -1.25 -0.68 0.00 0.00 175.30 175.13 2k6y s PRO 92 N -1.60 0.67 -0.22 3.54 0.04 -1.26 -4.69 135.00 131.47 2k6y s PRO 92 Ca -0.13 -0.10 -0.35 0.00 0.04 0.00 0.00 61.00 60.47 2k6y s PRO 92 Cb -0.06 -1.82 0.15 0.00 0.04 0.00 0.00 34.50 32.81 2k6y s PRO 92 CO 0.01 -2.44 1.26 -0.48 0.04 0.00 0.00 177.00 175.39 2k6y s LEU 93 N -6.05 -0.11 0.27 -3.56 2.34 -1.26 -4.91 118.68 105.41 2k6y s LEU 93 Ca 0.69 0.02 -0.19 0.00 0.06 0.00 0.00 54.13 54.71 2k6y s LEU 93 Cb -0.09 1.28 0.06 0.00 -0.56 0.00 0.00 46.19 46.89 2k6y s LEU 93 CO 0.53 -0.16 0.92 -1.59 -1.06 0.00 0.00 176.35 174.98 2k6y s LYS 94 N -2.07 1.73 0.16 1.48 0.00 -1.26 -5.02 119.74 114.76 2k6y s LYS 94 Ca 0.09 -1.10 -0.33 0.00 0.00 0.00 0.00 55.97 54.63 2k6y s LYS 94 Cb -0.01 0.49 -0.16 0.00 0.00 0.00 0.00 37.83 38.15 2k6y s LYS 94 CO -0.04 -0.81 1.18 0.00 0.00 0.00 0.00 175.35 175.68 2k6y n ALA 95 N -0.61 -0.80 -0.78 0.59 0.00 -1.26 -3.08 120.51 114.57 2k6y n ALA 95 Ca -0.05 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2k6y n ALA 95 Cb 0.60 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 18.01 2k6y n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k6y n GLY 96 N 2.06 0.95 3.85 0.00 0.00 -1.20 -5.05 105.19 105.81 2k6y n GLY 96 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.20 2.05 0.12 1.61 0.41 -1.18 -4.87 118.70 116.65 2k6y s GLU 97 Ca 0.00 0.36 0.03 0.00 -0.41 0.00 0.00 54.97 54.95 2k6y s GLU 97 Cb 0.00 -1.94 -0.04 0.00 -1.78 0.00 0.00 34.13 30.37 2k6y s GLU 97 CO 0.00 -1.58 0.18 -1.21 -0.49 0.00 0.00 175.26 172.15 2k6y s GLU 98 N -5.36 3.13 -0.03 1.61 2.02 -1.26 -0.43 118.70 118.38 2k6y s GLU 98 Ca 0.61 -0.68 -0.01 0.00 0.02 0.00 0.00 54.97 54.91 2k6y s GLU 98 Cb -0.13 -2.82 0.03 0.00 0.10 0.00 0.00 34.13 31.32 2k6y s GLU 98 CO 0.52 0.53 0.04 0.08 0.02 0.00 0.00 175.26 176.45 2k6y s VAL 99 N -1.62 -0.06 0.43 2.63 1.01 0.82 -4.86 120.40 118.74 2k6y s VAL 99 Ca 0.32 0.28 -0.26 0.00 0.00 0.00 0.00 61.98 62.32 2k6y s VAL 99 Cb -0.11 -0.12 -0.09 0.00 0.00 0.00 0.00 36.38 36.06 2k6y s VAL 99 CO 0.25 0.12 1.39 -1.61 0.00 0.00 0.00 175.10 175.26 2k6y s GLU 100 N 1.42 3.84 -0.04 2.72 2.02 -1.26 -0.78 118.70 126.62 2k6y s GLU 100 Ca -0.05 2.35 -0.01 0.00 0.02 0.00 0.00 54.97 57.29 2k6y s GLU 100 Cb -0.13 -2.73 0.03 0.00 0.10 0.00 0.00 34.13 31.40 2k6y s GLU 100 CO -0.03 -0.67 0.07 -1.17 0.02 0.00 0.00 175.26 173.48 2k6y s LEU 101 N -2.53 0.73 -0.35 1.80 0.20 -0.30 -4.14 118.68 114.08 2k6y s LEU 101 Ca 0.58 0.13 -0.14 0.00 0.69 0.00 0.00 54.13 55.39 2k6y s LEU 101 Cb -0.42 0.04 -0.01 0.00 -0.43 0.00 0.00 46.19 45.37 2k6y s LEU 101 CO 0.55 -0.17 0.29 -1.81 -0.29 0.00 0.00 176.35 174.93 2k6y s ASP 102 N 1.40 6.11 -0.09 3.68 1.11 -0.07 -0.40 116.67 128.40 2k6y s ASP 102 Ca -0.06 -0.42 -0.30 0.00 0.18 0.00 0.00 52.55 51.96 2k6y s ASP 102 Cb -0.12 -2.16 -0.01 0.00 1.07 0.00 0.00 42.92 41.69 2k6y s ASP 102 CO -0.04 -0.30 1.03 -0.76 1.18 0.00 0.00 175.17 176.27 2k6y s LEU 103 N 1.83 4.26 -0.19 1.23 1.02 0.09 -1.01 118.68 125.90 2k6y s LEU 103 Ca 0.08 1.57 -0.12 0.00 0.02 0.00 0.00 54.13 55.68 2k6y s LEU 103 Cb -0.17 -3.56 -0.05 0.00 0.02 0.00 0.00 46.19 42.43 2k6y s LEU 103 CO 0.11 -0.45 0.22 -0.76 0.02 0.00 0.00 176.35 175.49 2k6y s LEU 104 N 1.97 4.20 0.22 1.79 1.43 -0.44 -1.78 118.68 126.06 2k6y s LEU 104 Ca 0.49 0.33 0.11 0.00 -1.03 0.00 0.00 54.13 54.04 2k6y s LEU 104 Cb -0.19 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.75 2k6y s LEU 104 CO 0.19 0.10 -0.21 -0.36 0.23 0.00 0.00 176.35 176.30 2k6y s PHE 105 N 0.62 2.18 0.42 0.29 0.08 -0.29 -0.24 117.98 121.04 2k6y s PHE 105 Ca 0.12 -0.38 -0.25 0.00 0.12 0.00 0.00 56.93 56.53 2k6y s PHE 105 Cb -0.12 -1.03 -0.08 0.00 -0.57 0.00 0.00 43.02 41.22 2k6y s PHE 105 CO 0.02 0.54 1.29 0.00 -0.10 0.00 0.00 175.22 176.97 2k6y s ALA 106 N -2.11 3.19 0.00 5.36 0.00 -0.03 -4.22 121.76 123.96 2k6y s ALA 106 Ca 0.23 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.40 2k6y s ALA 106 Cb -0.06 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2k6y s ALA 106 CO 0.11 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.43 2k6y n GLY 107 N 0.65 -1.91 1.54 0.00 0.00 -1.26 -4.47 105.19 99.74 2k6y n GLY 107 Ca 0.05 -1.38 -0.01 0.00 0.00 0.00 0.00 46.02 44.68 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 2.47 3.24 -0.02 0.00 -1.26 -4.87 105.19 104.75 2k6y n GLY 108 Ca 0.00 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 0.11 3.21 -0.02 1.61 1.02 -1.26 -5.09 119.74 119.33 2k6y s LYS 109 Ca 0.04 -0.73 0.01 0.00 0.02 0.00 0.00 55.97 55.31 2k6y s LYS 109 Cb 0.02 -2.74 0.01 0.00 -0.52 0.00 0.00 37.83 34.60 2k6y s LYS 109 CO 0.00 -0.12 -0.02 0.54 -0.92 0.00 0.00 175.35 174.83 2k6y s VAL 110 N 1.18 0.24 -0.07 3.17 0.11 -1.26 -1.13 120.40 122.63 2k6y s VAL 110 Ca 0.02 -0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.03 2k6y s VAL 110 Cb -0.14 -0.26 0.02 0.00 -1.53 0.00 0.00 36.38 34.47 2k6y s VAL 110 CO -0.05 0.11 -0.10 -0.76 -3.33 0.00 0.00 175.10 170.96 2k6y s LEU 111 N 0.40 1.53 -0.00 2.54 1.43 -0.73 -4.97 118.68 118.87 2k6y s LEU 111 Ca -0.04 -0.27 -0.21 0.00 -1.03 0.00 0.00 54.13 52.58 2k6y s LEU 111 Cb -0.07 -0.76 -0.05 0.00 0.03 0.00 0.00 46.19 45.34 2k6y s LEU 111 CO -0.01 -0.00 0.62 -0.75 0.23 0.00 0.00 176.35 176.44 2k6y s LYS 112 N 0.85 4.34 0.38 1.70 2.20 -1.26 -0.73 119.74 127.21 2k6y s LYS 112 Ca -0.11 0.77 0.08 0.00 -0.36 0.00 0.00 55.97 56.35 2k6y s LYS 112 Cb -0.15 -3.35 -0.06 0.00 -1.51 0.00 0.00 37.83 32.76 2k6y s LYS 112 CO 0.02 0.35 0.03 0.14 -0.36 0.00 0.00 175.35 175.53 2k6y s VAL 113 N -0.15 2.32 0.00 4.02 -7.23 0.46 -4.99 120.40 114.84 2k6y s VAL 113 Ca 0.32 -1.96 0.07 0.00 -1.81 0.00 0.00 61.98 58.60 2k6y s VAL 113 Cb -0.18 -2.87 -0.02 0.00 0.56 0.00 0.00 36.38 33.86 2k6y s VAL 113 CO 0.18 -0.10 -0.23 0.54 -0.31 0.00 0.00 175.10 175.18 2k6y s VAL 114 N -2.60 1.80 0.04 1.32 0.11 -1.26 -1.15 120.40 118.65 2k6y s VAL 114 Ca 0.36 -1.06 0.01 0.00 -2.93 0.00 0.00 61.98 58.36 2k6y s VAL 114 Cb 0.04 -1.51 -0.03 0.00 -1.53 0.00 0.00 36.38 33.35 2k6y s VAL 114 CO 0.19 0.43 -0.06 -0.76 -3.33 0.00 0.00 175.10 171.57 2k6y s LEU 115 N -0.75 2.30 0.60 2.54 1.43 0.04 -4.93 118.68 119.92 2k6y s LEU 115 Ca 0.09 -0.62 -0.15 0.00 -1.03 0.00 0.00 54.13 52.41 2k6y s LEU 115 Cb -0.09 -0.05 -0.03 0.00 0.03 0.00 0.00 46.19 46.05 2k6y s LEU 115 CO 0.00 -0.29 1.05 -2.16 0.23 0.00 0.00 176.35 175.18 2k6y s PRO 116 N -2.00 3.30 -0.21 1.29 0.04 -1.26 -0.13 135.00 136.03 2k6y s PRO 116 Ca -0.08 1.15 -0.18 0.00 0.04 0.00 0.00 61.00 61.93 2k6y s PRO 116 Cb -0.07 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 2k6y s PRO 116 CO -0.01 -0.82 0.52 0.08 0.04 0.00 0.00 177.00 176.80 2k6y s VAL 117 N -2.56 5.10 0.24 -0.36 1.01 0.42 -1.60 120.40 122.65 2k6y s VAL 117 Ca 0.62 0.94 -0.12 0.00 0.00 0.00 0.00 61.98 63.43 2k6y s VAL 117 Cb -0.15 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 2k6y s VAL 117 CO 0.39 0.16 0.59 -0.70 0.00 0.00 0.00 175.10 175.54 2k6y s GLU 118 N 1.78 3.88 -0.17 2.72 2.56 -0.09 -3.25 118.70 126.13 2k6y s GLU 118 Ca 0.23 0.40 0.16 0.00 0.00 0.00 0.00 54.97 55.76 2k6y s GLU 118 Cb -0.15 -2.65 0.38 0.00 2.00 0.00 0.00 34.13 33.71 2k6y s GLU 118 CO 0.09 0.31 1.24 0.00 -0.56 0.00 0.00 175.26 176.34 2k6y n ALA 119 N -0.04 2.87 -1.03 6.30 0.00 -1.26 -0.84 120.51 126.51 2k6y n ALA 119 Ca 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 53.44 50.66 2k6y n ALA 119 Cb 0.52 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2k6y n ALA 119 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37