#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 -6.05 -0.96 1.61 7.64 -1.26 -4.73 113.62 109.88 2k6y n SER 2 Ca 0.00 -0.58 0.12 0.00 1.01 0.00 0.00 58.87 59.43 2k6y n SER 2 Cb 0.00 -4.55 -0.05 0.00 -1.01 0.00 0.00 64.21 58.60 2k6y n SER 2 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2k6y n PHE 3 N -2.91 -2.49 -3.63 1.43 3.01 -1.26 -5.14 117.46 106.46 2k6y n PHE 3 Ca -0.06 1.31 -0.03 0.00 1.01 0.00 0.00 57.45 59.69 2k6y n PHE 3 Cb 0.60 -2.27 -0.02 0.00 -0.01 0.00 0.00 39.48 37.78 2k6y n PHE 3 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2k6y s THR 4 N -2.91 0.00 0.00 4.37 -4.23 -1.26 -5.18 115.64 106.43 2k6y s THR 4 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 2k6y s THR 4 Cb 0.00 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.84 2k6y s THR 4 CO 0.00 0.00 0.00 -1.84 -0.54 0.00 0.00 174.62 172.24 2k6y n GLU 5 N 0.01 0.00 -3.85 3.99 0.28 -1.26 -5.00 120.64 114.80 2k6y n GLU 5 Ca 0.04 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.95 2k6y n GLU 5 Cb 0.57 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.36 2k6y n GLU 5 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2k6y s GLY 6 N -1.64 0.07 0.02 -1.84 0.00 -1.26 -0.14 107.32 102.52 2k6y s GLY 6 Ca 0.00 -0.46 0.02 0.00 0.00 0.00 0.00 44.72 44.28 2k6y s GLY 6 CO 0.00 -0.64 -0.06 0.66 0.00 0.00 0.00 173.10 173.05 2k6y s TRP 7 N -3.24 0.55 -0.13 1.90 -2.14 -0.97 -3.84 118.94 111.07 2k6y s TRP 7 Ca 0.00 -0.28 -0.06 0.00 2.66 0.00 0.00 56.10 58.42 2k6y s TRP 7 Cb 0.02 -0.34 -0.04 0.00 -3.10 0.00 0.00 33.47 30.01 2k6y s TRP 7 CO -0.08 -0.04 0.09 0.08 -2.66 0.00 0.00 176.95 174.34 2k6y s VAL 8 N -0.70 5.09 -0.42 -0.66 1.01 -0.53 -1.57 120.40 122.62 2k6y s VAL 8 Ca -0.04 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 2k6y s VAL 8 Cb -0.06 -3.23 0.06 0.00 0.00 0.00 0.00 36.38 33.16 2k6y s VAL 8 CO 0.00 0.56 0.28 -0.60 0.00 0.00 0.00 175.10 175.34 2k6y s ARG 9 N -0.56 2.77 0.58 2.72 3.52 0.42 -0.52 118.95 127.88 2k6y s ARG 9 Ca 0.11 -1.31 -0.20 0.00 -0.13 0.00 0.00 55.73 54.20 2k6y s ARG 9 Cb -0.12 -3.86 -0.04 0.00 -1.56 0.00 0.00 34.95 29.37 2k6y s ARG 9 CO 0.02 -0.89 1.23 0.34 -0.81 0.00 0.00 175.30 175.19 2k6y n PHE 10 N 5.02 1.81 -3.72 5.12 7.35 0.11 -2.62 117.46 130.52 2k6y n PHE 10 Ca -0.11 0.44 -0.10 0.00 -0.76 0.00 0.00 57.45 56.91 2k6y n PHE 10 Cb 0.44 -2.28 -0.06 0.00 0.35 0.00 0.00 39.48 37.93 2k6y n PHE 10 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2k6y s SER 11 N -1.10 -0.11 0.29 -2.13 0.01 -1.26 -4.57 113.70 104.83 2k6y s SER 11 Ca 0.75 -0.38 0.25 0.00 1.31 0.00 0.00 55.95 57.88 2k6y s SER 11 Cb -0.41 0.41 0.99 0.00 0.21 0.00 0.00 66.02 67.22 2k6y s SER 11 CO 0.47 -0.76 1.75 1.55 0.41 0.00 0.00 173.24 176.65 2k6y h PRO 12 N 2.66 0.00 0.00 12.44 0.13 -1.96 -3.46 132.00 141.81 2k6y h PRO 12 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2k6y h PRO 12 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2k6y h PRO 12 CO 0.49 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.67 2k6y n GLY 13 N 0.19 2.48 0.00 1.56 0.00 -1.26 -4.92 105.19 103.24 2k6y n GLY 13 Ca 0.02 -2.15 0.10 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.91 0.29 -4.56 1.61 -0.04 -1.26 -5.00 135.00 125.13 2k6y n PRO 14 Ca 0.00 0.10 -0.26 0.00 -0.04 0.00 0.00 63.50 63.30 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 -2.56 3.38 0.24 3.54 2.20 -1.26 -1.69 114.94 118.79 2k6y s ASN 15 Ca 0.19 -1.37 -0.12 0.00 -0.94 0.00 0.00 52.86 50.61 2k6y s ASN 15 Cb 0.13 -0.29 0.05 0.00 -2.00 0.00 0.00 41.25 39.14 2k6y s ASN 15 CO 0.30 -0.50 0.63 0.00 -2.94 0.00 0.00 177.10 174.58 2k6y n ALA 16 N -0.88 -1.50 -2.56 3.54 0.00 -0.71 -4.48 120.51 113.93 2k6y n ALA 16 Ca -0.04 -0.87 -0.12 0.00 0.00 0.00 0.00 53.44 52.40 2k6y n ALA 16 Cb 0.67 0.64 -0.11 0.00 0.00 0.00 0.00 19.45 20.65 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 -1.78 0.81 0.06 0.00 0.00 -1.08 -1.05 121.76 118.73 2k6y s ALA 17 Ca 0.13 -1.04 -0.10 0.00 0.00 0.00 0.00 51.96 50.95 2k6y s ALA 17 Cb -0.03 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.17 2k6y s ALA 17 CO 0.07 -0.09 0.22 0.00 0.00 0.00 0.00 175.76 175.96 2k6y s ALA 18 N -2.31 -0.37 0.13 0.00 0.00 -0.53 -0.43 121.76 118.24 2k6y s ALA 18 Ca 0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 51.96 51.47 2k6y s ALA 18 Cb -0.04 0.39 0.01 0.00 0.00 0.00 0.00 23.12 23.48 2k6y s ALA 18 CO -0.01 -0.44 0.30 0.71 0.00 0.00 0.00 175.76 176.31 2k6y s TYR 19 N -3.15 0.10 0.09 0.00 2.02 -0.61 -1.24 117.35 114.57 2k6y s TYR 19 Ca -0.01 -0.48 -0.25 0.00 -0.37 0.00 0.00 57.07 55.96 2k6y s TYR 19 Cb 0.02 0.06 0.08 0.00 -0.40 0.00 0.00 41.96 41.72 2k6y s TYR 19 CO -0.07 -0.67 0.71 -0.48 -1.57 0.00 0.00 175.55 173.47 2k6y s LEU 20 N -2.88 -0.50 -0.25 -1.29 2.34 -1.26 -2.30 118.68 112.54 2k6y s LEU 20 Ca 0.08 0.05 -0.26 0.00 0.06 0.00 0.00 54.13 54.06 2k6y s LEU 20 Cb 0.03 2.40 0.00 0.00 -0.56 0.00 0.00 46.19 48.06 2k6y s LEU 20 CO -0.08 -0.83 0.89 -0.89 -1.06 0.00 0.00 176.35 174.39 2k6y s THR 21 N -3.36 4.78 -0.15 5.48 2.01 0.79 -0.81 115.64 124.38 2k6y s THR 21 Ca 0.02 1.68 -0.07 0.00 0.31 0.00 0.00 61.69 63.62 2k6y s THR 21 Cb -0.01 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 2k6y s THR 21 CO -0.10 -0.13 0.10 -0.22 -0.69 0.00 0.00 174.62 173.58 2k6y s LEU 22 N 2.98 4.09 -0.11 4.42 1.98 -0.18 -4.65 118.68 127.21 2k6y s LEU 22 Ca 0.38 0.26 0.00 0.00 -2.89 0.00 0.00 54.13 51.88 2k6y s LEU 22 Cb -0.15 -2.02 0.02 0.00 0.66 0.00 0.00 46.19 44.71 2k6y s LEU 22 CO 0.08 0.28 -0.10 -1.61 -1.89 0.00 0.00 176.35 173.11 2k6y s GLU 23 N -0.25 1.71 -0.40 1.98 2.02 -1.26 -0.62 118.70 121.88 2k6y s GLU 23 Ca 0.10 -0.34 -0.18 0.00 0.02 0.00 0.00 54.97 54.57 2k6y s GLU 23 Cb -0.12 -1.66 0.01 0.00 0.10 0.00 0.00 34.13 32.47 2k6y s GLU 23 CO 0.01 -0.21 0.47 1.21 0.02 0.00 0.00 175.26 176.76 2k6y s ASN 24 N 1.48 6.23 0.06 -0.19 2.47 -0.18 -4.95 114.94 119.87 2k6y s ASN 24 Ca 0.01 -0.42 0.26 0.00 0.42 0.00 0.00 52.86 53.13 2k6y s ASN 24 Cb -0.13 -2.24 0.62 0.00 -1.45 0.00 0.00 41.25 38.05 2k6y s ASN 24 CO -0.07 -0.55 1.52 -0.81 -3.72 0.00 0.00 177.10 173.48 2k6y n PRO 25 N 5.69 0.13 -2.01 0.43 -0.04 -1.26 -1.67 135.00 136.26 2k6y n PRO 25 Ca -0.06 0.05 -0.30 0.00 -0.04 0.00 0.00 63.50 63.15 2k6y n PRO 25 Cb 0.48 -1.60 0.01 0.00 -0.04 0.00 0.00 33.50 32.36 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 -3.29 1.63 0.00 0.55 0.00 -1.26 -4.56 107.32 100.38 2k6y s GLY 26 Ca 0.10 -0.20 0.17 0.00 0.00 0.00 0.00 44.72 44.79 2k6y s GLY 26 CO 0.66 0.06 1.43 1.22 0.00 0.00 0.00 173.10 176.48 2k6y n ASP 27 N -2.69 1.95 -4.44 1.64 9.92 -1.26 -2.15 116.55 119.52 2k6y n ASP 27 Ca 0.05 -1.85 -0.24 0.00 -0.53 0.00 0.00 54.79 52.22 2k6y n ASP 27 Cb 0.55 -0.18 -0.11 0.00 -0.64 0.00 0.00 41.12 40.74 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 -1.32 2.53 0.66 0.64 0.05 -1.26 -4.84 118.68 115.14 2k6y s LEU 28 Ca 0.30 -0.97 -0.11 0.00 0.05 0.00 0.00 54.13 53.40 2k6y s LEU 28 Cb 0.16 -1.08 -0.01 0.00 -2.05 0.00 0.00 46.19 43.21 2k6y s LEU 28 CO 0.23 0.05 1.05 -2.16 -0.55 0.00 0.00 176.35 174.96 2k6y s PRO 29 N -3.22 3.25 -0.12 1.48 0.04 -1.26 -4.16 135.00 131.00 2k6y s PRO 29 Ca 0.26 0.80 0.02 0.00 0.04 0.00 0.00 61.00 62.11 2k6y s PRO 29 Cb -0.06 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.46 2k6y s PRO 29 CO 0.12 -0.84 -0.16 -1.17 0.04 0.00 0.00 177.00 175.00 2k6y s LEU 30 N -5.35 1.76 -0.25 -3.56 2.96 -0.16 -4.93 118.68 109.15 2k6y s LEU 30 Ca 0.57 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 54.03 2k6y s LEU 30 Cb -0.12 -1.15 0.05 0.00 0.50 0.00 0.00 46.19 45.47 2k6y s LEU 30 CO 0.54 0.01 -0.10 -0.60 -1.32 0.00 0.00 176.35 174.88 2k6y s ARG 31 N 1.06 2.44 -0.41 1.98 3.52 -1.26 -0.12 118.95 126.16 2k6y s ARG 31 Ca -0.05 -1.22 -0.15 0.00 -0.13 0.00 0.00 55.73 54.18 2k6y s ARG 31 Cb -0.15 -2.89 0.02 0.00 -1.56 0.00 0.00 34.95 30.37 2k6y s ARG 31 CO -0.03 -0.51 0.30 -1.17 -0.81 0.00 0.00 175.30 173.08 2k6y s LEU 32 N 1.17 5.08 0.00 -0.88 2.96 0.45 -0.96 118.68 126.51 2k6y s LEU 32 Ca -0.05 -0.88 0.22 0.00 -0.22 0.00 0.00 54.13 53.19 2k6y s LEU 32 Cb -0.19 -2.16 -0.13 0.00 0.50 0.00 0.00 46.19 44.22 2k6y s LEU 32 CO -0.06 -0.44 0.92 1.33 -1.32 0.00 0.00 176.35 176.78 2k6y n VAL 33 N 5.16 0.02 -3.31 1.68 0.24 0.70 -1.23 118.33 121.59 2k6y n VAL 33 Ca -0.11 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 2k6y n VAL 33 Cb 0.47 0.68 0.00 0.00 -1.47 0.00 0.00 33.84 33.52 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 1.45 -0.54 0.41 7.63 0.00 -1.15 -4.81 105.19 108.18 2k6y n GLY 34 Ca 0.03 -0.78 -0.01 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.09 -3.56 4.61 0.00 -1.26 -1.32 120.51 118.89 2k6y n ALA 35 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 53.44 53.25 2k6y n ALA 35 Cb 0.00 0.14 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.07 0.43 0.10 0.00 3.52 0.28 -4.82 118.95 116.40 2k6y s ARG 36 Ca 0.03 0.92 -0.00 0.00 -0.13 0.00 0.00 55.73 56.55 2k6y s ARG 36 Cb -0.00 0.37 -0.04 0.00 -1.56 0.00 0.00 34.95 33.72 2k6y s ARG 36 CO 0.02 -0.12 -0.01 -0.08 -0.81 0.00 0.00 175.30 174.30 2k6y s THR 37 N 2.09 0.36 -0.24 4.11 -1.32 -1.26 -0.28 115.64 119.09 2k6y s THR 37 Ca -0.06 -1.89 0.19 0.00 -1.21 0.00 0.00 61.69 58.72 2k6y s THR 37 Cb -0.06 -1.78 0.08 0.00 -1.51 0.00 0.00 72.50 69.23 2k6y s THR 37 CO -0.17 -0.75 1.28 1.55 -2.21 0.00 0.00 174.62 174.31 2k6y h PRO 38 N 2.97 0.00 -0.01 7.08 0.13 -1.99 -3.39 132.00 136.78 2k6y h PRO 38 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2k6y h PRO 38 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2k6y h PRO 38 CO 0.63 0.21 -0.03 1.33 -0.23 0.00 0.00 178.00 179.92 2k6y n VAL 39 N -3.01 0.00 -3.83 1.56 0.24 -1.26 -4.19 118.33 107.85 2k6y n VAL 39 Ca -0.00 -0.16 -0.08 0.00 -2.04 0.00 0.00 64.34 62.06 2k6y n VAL 39 Cb 0.66 0.18 -0.03 0.00 -1.47 0.00 0.00 33.84 33.18 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 -2.08 -1.02 0.00 2.33 0.00 -1.26 -4.34 121.76 115.39 2k6y s ALA 40 Ca 0.39 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.02 2k6y s ALA 40 Cb 0.21 0.90 0.00 0.00 0.00 0.00 0.00 23.12 24.23 2k6y s ALA 40 CO 0.37 -0.94 0.00 -1.91 0.00 0.00 0.00 175.76 173.28 2k6y n GLU 41 N -0.42 0.00 -2.34 0.00 4.07 -0.85 -4.54 120.64 116.56 2k6y n GLU 41 Ca -0.06 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.63 2k6y n GLU 41 Cb 0.61 -0.03 -0.03 0.00 -0.06 0.00 0.00 31.44 31.93 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 -0.08 3.27 -0.13 5.31 3.52 0.05 -4.84 118.95 126.05 2k6y s ARG 42 Ca 0.00 0.55 -0.08 0.00 -0.13 0.00 0.00 55.73 56.07 2k6y s ARG 42 Cb 0.00 -4.14 -0.04 0.00 -1.56 0.00 0.00 34.95 29.21 2k6y s ARG 42 CO 0.00 -1.97 0.15 0.54 -0.81 0.00 0.00 175.30 173.22 2k6y s VAL 43 N 6.29 5.46 -0.05 7.11 0.11 -1.26 -0.55 120.40 137.50 2k6y s VAL 43 Ca 0.56 0.24 0.01 0.00 -2.93 0.00 0.00 61.98 59.86 2k6y s VAL 43 Cb -0.12 -3.43 0.02 0.00 -1.53 0.00 0.00 36.38 31.32 2k6y s VAL 43 CO 0.26 0.58 -0.07 -1.61 -3.33 0.00 0.00 175.10 170.92 2k6y s GLU 44 N -0.71 1.17 -0.30 1.54 2.02 -0.13 -4.86 118.70 117.42 2k6y s GLU 44 Ca 0.14 -0.22 -0.27 0.00 0.02 0.00 0.00 54.97 54.64 2k6y s GLU 44 Cb -0.12 -1.07 0.01 0.00 0.10 0.00 0.00 34.13 33.05 2k6y s GLU 44 CO 0.03 -0.05 0.95 -1.17 0.02 0.00 0.00 175.26 175.05 2k6y s LEU 45 N 0.84 4.02 0.12 1.80 0.20 -1.26 -0.71 118.68 123.69 2k6y s LEU 45 Ca -0.12 0.93 0.04 0.00 0.69 0.00 0.00 54.13 55.66 2k6y s LEU 45 Cb -0.15 -3.35 -0.04 0.00 -0.43 0.00 0.00 46.19 42.23 2k6y s LEU 45 CO 0.01 -0.74 0.12 -1.00 -0.29 0.00 0.00 176.35 174.45 2k6y s HIS 46 N 3.31 3.20 0.59 5.38 3.76 -0.01 -1.05 115.29 130.48 2k6y s HIS 46 Ca 0.40 0.04 0.02 0.00 -0.15 0.00 0.00 55.06 55.37 2k6y s HIS 46 Cb -0.13 -1.58 0.06 0.00 1.11 0.00 0.00 32.58 32.04 2k6y s HIS 46 CO 0.13 0.52 0.83 -1.83 -0.85 0.00 0.00 174.74 173.54 2k6y s GLU 47 N -2.78 2.30 -0.28 1.40 -1.05 0.04 -1.19 118.70 117.14 2k6y s GLU 47 Ca 0.31 -0.95 -0.00 0.00 -0.15 0.00 0.00 54.97 54.17 2k6y s GLU 47 Cb -0.11 -2.47 0.14 0.00 -0.44 0.00 0.00 34.13 31.25 2k6y s GLU 47 CO 0.23 -0.91 0.33 0.99 0.95 0.00 0.00 175.26 176.86 2k6y s THR 48 N -2.84 -0.49 0.30 1.83 2.01 0.62 -2.91 115.64 114.16 2k6y s THR 48 Ca 0.60 -0.34 0.07 0.00 0.31 0.00 0.00 61.69 62.33 2k6y s THR 48 Cb -0.09 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 2k6y s THR 48 CO 0.40 -0.34 0.26 0.72 -0.69 0.00 0.00 174.62 174.97 2k6y s PHE 49 N 2.44 3.01 0.09 4.92 -0.12 -0.17 -2.49 117.98 125.66 2k6y s PHE 49 Ca 0.10 -0.21 0.02 0.00 -0.05 0.00 0.00 56.93 56.78 2k6y s PHE 49 Cb -0.14 -1.64 -0.04 0.00 -0.63 0.00 0.00 43.02 40.57 2k6y s PHE 49 CO -0.28 0.32 0.16 0.00 -0.05 0.00 0.00 175.22 175.36 2k6y s MET 50 N -3.94 3.15 -0.15 1.99 0.23 -1.26 -1.91 119.30 117.40 2k6y s MET 50 Ca 0.38 -0.61 -0.27 0.00 -1.03 0.00 0.00 55.69 54.16 2k6y s MET 50 Cb -0.07 -2.86 0.07 0.00 -1.53 0.00 0.00 34.83 30.44 2k6y s MET 50 CO 0.26 0.57 0.66 0.50 -2.03 0.00 0.00 175.02 174.98 2k6y s ARG 51 N -2.61 0.91 0.13 3.16 3.52 0.08 -4.99 118.95 119.15 2k6y s ARG 51 Ca 0.32 0.58 -0.09 0.00 -0.13 0.00 0.00 55.73 56.40 2k6y s ARG 51 Cb -0.12 0.43 -0.06 0.00 -1.56 0.00 0.00 34.95 33.64 2k6y s ARG 51 CO 0.25 -0.21 0.44 -1.21 -0.81 0.00 0.00 175.30 173.77 2k6y s GLU 52 N -0.43 3.77 -0.28 5.12 8.01 -1.26 -0.22 118.70 133.41 2k6y s GLU 52 Ca -0.06 0.19 -0.21 0.00 0.01 0.00 0.00 54.97 54.90 2k6y s GLU 52 Cb -0.03 -2.90 0.09 0.00 -4.31 0.00 0.00 34.13 26.98 2k6y s GLU 52 CO 0.05 0.49 0.79 0.54 0.01 0.00 0.00 175.26 177.14 2k6y s VAL 53 N -1.53 0.00 -2.21 2.63 0.11 -0.24 -4.91 120.40 114.26 2k6y s VAL 53 Ca 0.38 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.43 2k6y s VAL 53 Cb -0.13 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.72 2k6y s VAL 53 CO 0.20 0.00 0.00 1.21 -3.33 0.00 0.00 175.10 173.18 2k6y n GLU 54 N 3.22 -1.45 -0.62 1.54 0.00 -1.26 -1.07 120.64 121.00 2k6y n GLU 54 Ca -0.16 1.23 0.00 0.00 0.00 0.00 0.00 57.16 58.23 2k6y n GLU 54 Cb 0.57 -5.62 0.00 0.00 0.00 0.00 0.00 31.44 26.39 2k6y n GLU 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k6y n GLY 55 N -0.42 1.76 3.90 8.31 0.00 -1.26 -5.03 105.19 112.45 2k6y n GLY 55 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 3.47 0.05 1.61 -0.14 -0.23 -5.07 119.74 119.43 2k6y s LYS 56 Ca 0.00 -0.28 -0.30 0.00 -1.36 0.00 0.00 55.97 54.03 2k6y s LYS 56 Cb 0.00 -3.08 -0.05 0.00 -1.68 0.00 0.00 37.83 33.02 2k6y s LYS 56 CO 0.00 0.66 1.08 0.15 -0.76 0.00 0.00 175.35 176.48 2k6y s LYS 57 N -1.97 4.52 0.12 1.68 1.02 -1.26 -1.08 119.74 122.78 2k6y s LYS 57 Ca 0.28 1.59 0.06 0.00 0.02 0.00 0.00 55.97 57.93 2k6y s LYS 57 Cb -0.13 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 2k6y s LYS 57 CO 0.19 -0.10 -0.15 0.08 -0.92 0.00 0.00 175.35 174.45 2k6y s VAL 58 N 0.81 1.40 0.08 3.17 1.01 0.69 -4.97 120.40 122.59 2k6y s VAL 58 Ca 0.54 -1.69 0.09 0.00 0.00 0.00 0.00 61.98 60.93 2k6y s VAL 58 Cb -0.25 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 2k6y s VAL 58 CO 0.29 -0.35 -0.25 -0.04 0.00 0.00 0.00 175.10 174.75 2k6y s MET 59 N -2.53 1.56 0.29 2.72 -1.94 -1.26 -0.74 119.30 117.40 2k6y s MET 59 Ca 0.08 -1.17 -0.10 0.00 -1.71 0.00 0.00 55.69 52.80 2k6y s MET 59 Cb -0.06 -1.84 0.04 0.00 2.01 0.00 0.00 34.83 34.98 2k6y s MET 59 CO 0.03 0.46 0.55 0.41 -0.01 0.00 0.00 175.02 176.47 2k6y n GLY 60 N 1.45 1.39 3.17 -0.03 0.00 -0.80 -5.01 105.19 105.36 2k6y n GLY 60 Ca -0.17 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.13 0.87 -0.18 1.61 -1.94 -1.26 -1.00 119.30 115.27 2k6y s MET 61 Ca 0.13 -1.38 -0.30 0.00 -1.71 0.00 0.00 55.69 52.43 2k6y s MET 61 Cb -0.03 -0.06 0.14 0.00 2.01 0.00 0.00 34.83 36.89 2k6y s MET 61 CO 0.10 -0.11 1.09 -0.98 -0.01 0.00 0.00 175.02 175.11 2k6y s ARG 62 N -3.91 0.47 0.51 2.03 1.70 -1.14 -5.00 118.95 113.60 2k6y s ARG 62 Ca 0.16 0.05 -0.22 0.00 -0.47 0.00 0.00 55.73 55.25 2k6y s ARG 62 Cb 0.06 0.22 -0.06 0.00 -0.57 0.00 0.00 34.95 34.60 2k6y s ARG 62 CO -0.03 -0.16 1.25 -1.25 -1.08 0.00 0.00 175.30 174.04 2k6y s PRO 63 N -1.39 3.43 0.21 3.89 0.04 -1.26 -0.78 135.00 139.14 2k6y s PRO 63 Ca 0.02 1.97 0.11 0.00 0.04 0.00 0.00 61.00 63.14 2k6y s PRO 63 Cb -0.01 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 2k6y s PRO 63 CO -0.02 -0.88 -0.19 0.14 0.04 0.00 0.00 177.00 176.09 2k6y s VAL 64 N -1.45 2.61 0.04 -0.36 -7.23 -0.21 -4.84 120.40 108.96 2k6y s VAL 64 Ca 0.68 -2.03 0.33 0.00 -1.81 0.00 0.00 61.98 59.15 2k6y s VAL 64 Cb -0.34 -2.29 0.36 0.00 0.56 0.00 0.00 36.38 34.67 2k6y s VAL 64 CO 0.40 -0.19 1.97 1.55 -0.31 0.00 0.00 175.10 178.52 2k6y h PRO 65 N 2.87 0.00 -1.09 4.82 0.13 -1.96 -3.44 132.00 133.33 2k6y h PRO 65 Ca -0.45 0.00 0.37 0.00 -0.87 0.00 0.00 66.00 65.05 2k6y h PRO 65 Cb 1.22 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.20 2k6y h PRO 65 CO 0.52 0.00 0.97 -0.59 -0.23 0.00 0.00 178.00 178.67 2k6y s PHE 66 N -3.65 -0.01 0.39 1.56 -0.12 -1.26 -4.76 117.98 110.12 2k6y s PHE 66 Ca 0.01 -0.00 0.08 0.00 -0.05 0.00 0.00 56.93 56.96 2k6y s PHE 66 Cb 0.09 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.95 2k6y s PHE 66 CO 0.48 -0.05 0.23 -0.51 -0.05 0.00 0.00 175.22 175.32 2k6y s LEU 67 N -2.73 3.27 0.14 -1.99 1.43 -0.36 -5.00 118.68 113.44 2k6y s LEU 67 Ca 0.14 -0.86 -0.14 0.00 -1.03 0.00 0.00 54.13 52.24 2k6y s LEU 67 Cb 0.05 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.54 2k6y s LEU 67 CO -0.05 -0.49 0.37 -1.83 0.23 0.00 0.00 176.35 174.58 2k6y s GLU 68 N -3.96 1.12 -0.03 1.70 -1.05 -1.26 -0.41 118.70 114.81 2k6y s GLU 68 Ca 0.42 -0.87 0.02 0.00 -0.15 0.00 0.00 54.97 54.40 2k6y s GLU 68 Cb -0.01 0.44 0.01 0.00 -0.44 0.00 0.00 34.13 34.14 2k6y s GLU 68 CO 0.24 -0.43 -0.07 0.08 0.95 0.00 0.00 175.26 176.03 2k6y s VAL 69 N -3.86 0.67 0.91 1.83 1.01 0.83 -4.98 120.40 116.80 2k6y s VAL 69 Ca 0.07 -0.28 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 2k6y s VAL 69 Cb 0.02 -0.61 0.14 0.00 0.00 0.00 0.00 36.38 35.92 2k6y s VAL 69 CO -0.08 0.22 1.09 -2.16 0.00 0.00 0.00 175.10 174.18 2k6y s PRO 70 N 0.34 1.16 0.58 2.72 0.04 -1.26 -0.99 135.00 137.59 2k6y s PRO 70 Ca -0.05 0.97 -0.21 0.00 0.04 0.00 0.00 61.00 61.76 2k6y s PRO 70 Cb -0.09 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 2k6y s PRO 70 CO 0.00 -2.35 1.34 -1.25 0.04 0.00 0.00 177.00 174.79 2k6y s PRO 71 N -4.85 2.95 0.00 0.56 0.04 -1.26 -2.84 135.00 129.60 2k6y s PRO 71 Ca 0.64 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.87 2k6y s PRO 71 Cb -0.19 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.22 2k6y s PRO 71 CO 0.58 -1.33 0.00 1.63 0.04 0.00 0.00 177.00 177.92 2k6y n LYS 72 N -1.31 0.00 -3.33 4.56 4.76 -0.67 -4.96 118.16 117.20 2k6y n LYS 72 Ca 0.12 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.18 2k6y n LYS 72 Cb 0.46 -3.65 -0.07 0.00 -1.84 0.00 0.00 35.03 29.94 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 2.23 -0.14 0.72 0.00 -1.05 -4.81 107.32 102.28 2k6y s GLY 73 Ca 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 44.72 44.28 2k6y s GLY 73 CO 0.00 0.83 0.21 1.09 0.00 0.00 0.00 173.10 175.23 2k6y s ARG 74 N 1.01 3.92 -0.01 2.90 1.70 -1.26 -1.01 118.95 126.19 2k6y s ARG 74 Ca 0.23 -0.03 -0.00 0.00 -0.47 0.00 0.00 55.73 55.46 2k6y s ARG 74 Cb -0.15 -3.32 0.01 0.00 -0.57 0.00 0.00 34.95 30.92 2k6y s ARG 74 CO 0.09 0.49 0.02 0.14 -1.08 0.00 0.00 175.30 174.97 2k6y s VAL 75 N -0.26 -0.02 -0.32 4.99 -7.23 0.20 -4.99 120.40 112.78 2k6y s VAL 75 Ca 0.14 0.08 -0.11 0.00 -1.81 0.00 0.00 61.98 60.29 2k6y s VAL 75 Cb -0.13 -0.05 -0.01 0.00 0.56 0.00 0.00 36.38 36.75 2k6y s VAL 75 CO 0.03 0.03 0.18 -1.83 -0.31 0.00 0.00 175.10 173.21 2k6y s GLU 76 N 0.41 3.40 -1.00 4.82 -1.05 -1.26 -1.01 118.70 123.01 2k6y s GLU 76 Ca -0.03 -0.68 -0.24 0.00 -0.15 0.00 0.00 54.97 53.87 2k6y s GLU 76 Cb -0.05 -3.64 -0.14 0.00 -0.44 0.00 0.00 34.13 29.86 2k6y s GLU 76 CO -0.01 -0.42 1.93 1.28 0.95 0.00 0.00 175.26 178.99 2k6y n LEU 77 N 5.02 2.97 -4.75 1.83 4.32 0.01 -4.93 117.00 121.47 2k6y n LEU 77 Ca -0.13 -2.92 -0.41 0.00 -0.02 0.00 0.00 56.01 52.52 2k6y n LEU 77 Cb 0.49 -1.51 -0.04 0.00 -1.62 0.00 0.00 43.42 40.74 2k6y n LEU 77 CO 0.35 -1.72 0.82 -1.59 -1.22 0.00 0.00 177.39 174.02 2k6y s LYS 78 N 6.40 4.59 0.23 3.23 -2.85 -1.20 -4.37 119.74 125.77 2k6y s LYS 78 Ca 0.67 1.81 -0.06 0.00 -1.00 0.00 0.00 55.97 57.39 2k6y s LYS 78 Cb 0.03 -3.21 0.33 0.00 -2.06 0.00 0.00 37.83 32.92 2k6y s LYS 78 CO 0.15 0.11 1.80 -1.00 0.10 0.00 0.00 175.35 176.52 2k6y h PRO 79 N 4.37 0.69 -6.04 1.78 0.13 -1.93 0.33 132.00 131.33 2k6y h PRO 79 Ca -0.46 -0.04 -0.55 0.00 -0.87 0.00 0.00 66.00 64.08 2k6y h PRO 79 Cb 1.21 -0.15 -0.09 0.00 0.13 0.00 0.00 31.00 32.10 2k6y h PRO 79 CO 0.70 0.45 1.39 0.20 -0.23 0.00 0.00 178.00 180.51 2k6y s GLY 80 N -3.18 1.09 0.00 1.56 0.00 -1.26 -4.15 107.32 101.38 2k6y s GLY 80 Ca -0.13 -2.15 0.00 0.00 0.00 0.00 0.00 44.72 42.44 2k6y s GLY 80 CO 0.77 2.82 0.00 0.61 0.00 0.00 0.00 173.10 177.30 2k6y n GLY 81 N 6.84 0.62 3.42 0.20 0.00 -1.01 -5.01 105.19 110.25 2k6y n GLY 81 Ca 0.35 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.54 0.21 1.61 2.02 0.08 -0.28 117.35 120.45 2k6y s TYR 82 Ca 0.00 1.25 -0.23 0.00 -0.37 0.00 0.00 57.07 57.72 2k6y s TYR 82 Cb 0.00 0.21 0.04 0.00 -0.40 0.00 0.00 41.96 41.81 2k6y s TYR 82 CO 0.00 -0.33 0.77 -3.38 -1.57 0.00 0.00 175.55 171.04 2k6y s HIS 83 N -0.09 -0.23 -0.21 2.71 -3.43 -0.33 -3.26 115.29 110.44 2k6y s HIS 83 Ca -0.03 -0.13 -0.10 0.00 -0.80 0.00 0.00 55.06 54.00 2k6y s HIS 83 Cb -0.03 0.66 -0.05 0.00 -1.43 0.00 0.00 32.58 31.73 2k6y s HIS 83 CO 0.02 -1.04 0.14 -0.06 -2.00 0.00 0.00 174.74 171.80 2k6y s PHE 84 N -3.69 3.36 -0.07 0.38 0.08 -0.37 -0.83 117.98 116.83 2k6y s PHE 84 Ca 0.10 0.26 -0.18 0.00 0.12 0.00 0.00 56.93 57.22 2k6y s PHE 84 Cb -0.04 -2.20 -0.05 0.00 -0.57 0.00 0.00 43.02 40.17 2k6y s PHE 84 CO 0.02 0.19 0.49 -1.64 -0.10 0.00 0.00 175.22 174.18 2k6y s MET 85 N 0.64 4.26 0.06 0.44 -1.94 0.11 -1.45 119.30 121.43 2k6y s MET 85 Ca 0.07 0.50 0.05 0.00 -1.71 0.00 0.00 55.69 54.61 2k6y s MET 85 Cb -0.12 -3.38 -0.04 0.00 2.01 0.00 0.00 34.83 33.30 2k6y s MET 85 CO 0.01 0.30 -0.08 -0.51 -0.01 0.00 0.00 175.02 174.73 2k6y s LEU 86 N 0.15 3.13 0.10 -0.03 2.01 -0.21 -0.96 118.68 122.87 2k6y s LEU 86 Ca 0.27 -0.26 -0.08 0.00 0.01 0.00 0.00 54.13 54.06 2k6y s LEU 86 Cb -0.16 -1.87 -0.01 0.00 0.01 0.00 0.00 46.19 44.17 2k6y s LEU 86 CO 0.12 0.22 0.18 -0.76 1.01 0.00 0.00 176.35 177.13 2k6y s LEU 87 N -1.88 1.44 -0.79 1.79 1.43 0.29 -1.73 118.68 119.23 2k6y s LEU 87 Ca 0.20 -0.72 -0.03 0.00 -1.03 0.00 0.00 54.13 52.55 2k6y s LEU 87 Cb -0.11 0.98 -0.04 0.00 0.03 0.00 0.00 46.19 47.05 2k6y s LEU 87 CO 0.12 -0.74 0.68 0.61 0.23 0.00 0.00 176.35 177.25 2k6y n GLY 88 N -0.07 -0.49 3.55 -3.19 0.00 -0.68 -0.77 105.19 103.54 2k6y n GLY 88 Ca -0.14 0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.84 3.33 0.28 0.99 1.43 -1.24 -2.01 118.68 116.61 2k6y s LEU 89 Ca 0.25 0.56 0.25 0.00 -1.03 0.00 0.00 54.13 54.16 2k6y s LEU 89 Cb -0.03 -2.53 0.99 0.00 0.03 0.00 0.00 46.19 44.64 2k6y s LEU 89 CO 0.54 -2.52 1.74 0.07 0.23 0.00 0.00 176.35 176.40 2k6y h LYS 90 N 16.29 0.00 -5.59 1.70 2.10 -1.81 -3.43 116.57 125.82 2k6y h LYS 90 Ca -0.26 0.00 -0.48 0.00 -2.00 0.00 0.00 60.65 57.91 2k6y h LYS 90 Cb 1.19 0.00 -0.24 0.00 -0.90 0.00 0.00 32.23 32.28 2k6y h LYS 90 CO 1.20 0.00 -0.80 1.03 -2.00 0.00 0.00 179.45 178.88 2k6y s ARG 91 N -3.32 1.03 0.39 0.07 0.52 -1.26 -5.00 118.95 111.37 2k6y s ARG 91 Ca 0.05 -0.89 -0.25 0.00 -0.52 0.00 0.00 55.73 54.12 2k6y s ARG 91 Cb 0.10 -1.09 -0.09 0.00 0.52 0.00 0.00 34.95 34.39 2k6y s ARG 91 CO 0.43 0.26 1.08 -1.25 0.02 0.00 0.00 175.30 175.84 2k6y s PRO 92 N -1.37 4.16 0.15 3.54 0.04 -1.26 -4.84 135.00 135.42 2k6y s PRO 92 Ca 0.03 1.61 -0.10 0.00 0.04 0.00 0.00 61.00 62.58 2k6y s PRO 92 Cb -0.09 -2.61 -0.00 0.00 0.04 0.00 0.00 34.50 31.83 2k6y s PRO 92 CO 0.02 -0.17 0.28 -0.48 0.04 0.00 0.00 177.00 176.69 2k6y s LEU 93 N -2.53 1.00 0.18 -3.56 2.34 -1.26 -5.07 118.68 109.77 2k6y s LEU 93 Ca 0.57 -0.78 -0.24 0.00 0.06 0.00 0.00 54.13 53.74 2k6y s LEU 93 Cb -0.25 1.23 0.05 0.00 -0.56 0.00 0.00 46.19 46.66 2k6y s LEU 93 CO 0.31 -0.86 0.85 -0.54 -1.06 0.00 0.00 176.35 175.04 2k6y s LYS 94 N -3.93 1.36 0.18 1.48 1.02 -1.26 -4.95 119.74 113.64 2k6y s LYS 94 Ca 0.14 -0.72 -0.33 0.00 0.02 0.00 0.00 55.97 55.08 2k6y s LYS 94 Cb 0.03 0.48 -0.15 0.00 -0.52 0.00 0.00 37.83 37.68 2k6y s LYS 94 CO -0.03 -0.62 1.26 0.00 -0.92 0.00 0.00 175.35 175.04 2k6y n ALA 95 N -0.44 -0.21 -1.00 5.17 0.00 -1.26 -2.25 120.51 120.52 2k6y n ALA 95 Ca -0.07 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2k6y n ALA 95 Cb 0.61 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 2.16 0.88 3.88 0.00 0.00 -1.22 -5.05 105.19 105.84 2k6y n GLY 96 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.01 3.60 -0.17 1.61 2.02 -0.95 -4.90 118.70 119.89 2k6y s GLU 97 Ca 0.00 0.63 -0.04 0.00 0.02 0.00 0.00 54.97 55.58 2k6y s GLU 97 Cb 0.00 -2.15 -0.03 0.00 0.10 0.00 0.00 34.13 32.05 2k6y s GLU 97 CO 0.00 -0.48 -0.02 -1.21 0.02 0.00 0.00 175.26 173.57 2k6y s GLU 98 N -5.05 3.67 -0.49 1.61 2.02 -1.26 -0.34 118.70 118.86 2k6y s GLU 98 Ca 0.53 -0.51 -0.15 0.00 0.02 0.00 0.00 54.97 54.86 2k6y s GLU 98 Cb -0.11 -2.98 0.09 0.00 0.10 0.00 0.00 34.13 31.23 2k6y s GLU 98 CO 0.51 0.17 0.42 0.08 0.02 0.00 0.00 175.26 176.46 2k6y s VAL 99 N 0.57 5.17 0.12 2.63 1.01 0.96 -4.93 120.40 125.92 2k6y s VAL 99 Ca -0.02 -1.21 -0.31 0.00 0.00 0.00 0.00 61.98 60.44 2k6y s VAL 99 Cb -0.14 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 31.99 2k6y s VAL 99 CO 0.02 -0.66 1.68 -0.70 0.00 0.00 0.00 175.10 175.44 2k6y s GLU 100 N 1.62 4.18 -0.07 2.72 2.56 -1.26 -1.34 118.70 127.11 2k6y s GLU 100 Ca 0.04 2.42 -0.12 0.00 0.00 0.00 0.00 54.97 57.31 2k6y s GLU 100 Cb -0.26 -3.42 0.03 0.00 2.00 0.00 0.00 34.13 32.47 2k6y s GLU 100 CO 0.05 -0.72 0.30 -1.17 -0.56 0.00 0.00 175.26 173.16 2k6y s LEU 101 N 2.11 0.86 -0.03 2.70 0.20 -0.31 -4.09 118.68 120.11 2k6y s LEU 101 Ca 0.74 0.35 -0.14 0.00 0.69 0.00 0.00 54.13 55.77 2k6y s LEU 101 Cb -0.43 1.14 -0.05 0.00 -0.43 0.00 0.00 46.19 46.42 2k6y s LEU 101 CO 0.33 -0.27 0.38 -0.62 -0.29 0.00 0.00 176.35 175.88 2k6y s ASP 102 N -0.57 6.74 -0.18 3.68 2.15 0.61 -0.04 116.67 129.05 2k6y s ASP 102 Ca -0.07 0.88 -0.03 0.00 0.43 0.00 0.00 52.55 53.76 2k6y s ASP 102 Cb -0.04 -2.23 -0.02 0.00 -0.30 0.00 0.00 42.92 40.33 2k6y s ASP 102 CO 0.02 0.30 -0.05 -0.76 -0.17 0.00 0.00 175.17 174.51 2k6y s LEU 103 N -0.85 3.04 -0.24 -1.34 1.43 -0.12 -0.56 118.68 120.03 2k6y s LEU 103 Ca 0.23 -0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 52.94 2k6y s LEU 103 Cb -0.16 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 2k6y s LEU 103 CO 0.12 0.08 0.22 -0.76 0.23 0.00 0.00 176.35 176.24 2k6y s LEU 104 N 0.88 4.11 0.01 1.79 1.43 -0.43 -2.04 118.68 124.42 2k6y s LEU 104 Ca -0.01 0.19 0.08 0.00 -1.03 0.00 0.00 54.13 53.36 2k6y s LEU 104 Cb -0.15 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.84 2k6y s LEU 104 CO 0.01 0.01 -0.26 -0.36 0.23 0.00 0.00 176.35 175.98 2k6y s PHE 105 N 1.26 2.34 -0.95 0.29 0.40 -0.10 -0.22 117.98 121.00 2k6y s PHE 105 Ca 0.10 -0.42 -0.24 0.00 -0.60 0.00 0.00 56.93 55.77 2k6y s PHE 105 Cb -0.14 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 41.88 2k6y s PHE 105 CO 0.06 0.04 1.91 0.00 0.70 0.00 0.00 175.22 177.93 2k6y s ALA 106 N -0.70 1.78 0.00 5.36 0.00 -0.14 -3.90 121.76 124.16 2k6y s ALA 106 Ca 0.11 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.41 2k6y s ALA 106 Cb -0.10 -4.57 0.00 0.00 0.00 0.00 0.00 23.12 18.45 2k6y s ALA 106 CO 0.00 -4.76 0.00 0.41 0.00 0.00 0.00 175.76 171.41 2k6y n GLY 107 N 6.71 0.25 2.38 0.00 0.00 -1.26 -4.81 105.19 108.46 2k6y n GLY 107 Ca 0.40 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 0.98 3.02 -0.02 0.00 -1.25 -4.99 105.19 102.93 2k6y n GLY 108 Ca 0.00 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.47 2.17 -0.05 1.61 3.01 -1.25 -5.08 119.74 117.68 2k6y s LYS 109 Ca 0.00 -0.94 -0.15 0.00 -1.01 0.00 0.00 55.97 53.87 2k6y s LYS 109 Cb 0.00 -2.53 -0.05 0.00 -1.01 0.00 0.00 37.83 34.24 2k6y s LYS 109 CO 0.00 -0.43 0.41 0.54 0.51 0.00 0.00 175.35 176.37 2k6y s VAL 110 N 1.33 5.10 -0.11 3.17 0.11 -1.26 -0.93 120.40 127.81 2k6y s VAL 110 Ca -0.02 0.83 -0.04 0.00 -2.93 0.00 0.00 61.98 59.81 2k6y s VAL 110 Cb -0.17 -3.72 0.06 0.00 -1.53 0.00 0.00 36.38 31.02 2k6y s VAL 110 CO -0.08 0.50 0.21 -0.76 -3.33 0.00 0.00 175.10 171.64 2k6y s LEU 111 N -0.51 -0.17 0.18 2.54 1.43 -0.86 -4.97 118.68 116.31 2k6y s LEU 111 Ca 0.23 0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 53.63 2k6y s LEU 111 Cb -0.16 0.46 -0.07 0.00 0.03 0.00 0.00 46.19 46.45 2k6y s LEU 111 CO 0.11 -0.25 0.56 -1.59 0.23 0.00 0.00 176.35 175.42 2k6y s LYS 112 N 2.35 3.93 0.06 1.70 -2.85 -1.26 -0.95 119.74 122.72 2k6y s LYS 112 Ca 0.02 0.43 0.03 0.00 -1.00 0.00 0.00 55.97 55.45 2k6y s LYS 112 Cb -0.12 -2.83 -0.03 0.00 -2.06 0.00 0.00 37.83 32.79 2k6y s LYS 112 CO -0.07 0.42 -0.08 0.14 0.10 0.00 0.00 175.35 175.85 2k6y s VAL 113 N -1.59 0.66 -0.15 1.79 -7.23 0.94 -4.97 120.40 109.85 2k6y s VAL 113 Ca 0.41 -1.30 -0.05 0.00 -1.81 0.00 0.00 61.98 59.24 2k6y s VAL 113 Cb -0.14 -0.90 -0.03 0.00 0.56 0.00 0.00 36.38 35.87 2k6y s VAL 113 CO 0.20 -0.47 0.01 0.54 -0.31 0.00 0.00 175.10 175.07 2k6y s VAL 114 N -1.85 4.33 -0.02 1.32 0.11 -1.26 -1.17 120.40 121.86 2k6y s VAL 114 Ca -0.04 -0.21 0.01 0.00 -2.93 0.00 0.00 61.98 58.81 2k6y s VAL 114 Cb -0.07 -2.90 0.01 0.00 -1.53 0.00 0.00 36.38 31.89 2k6y s VAL 114 CO -0.00 0.51 -0.05 -0.76 -3.33 0.00 0.00 175.10 171.47 2k6y s LEU 115 N 0.06 1.66 0.60 2.54 1.43 -0.45 -4.92 118.68 119.60 2k6y s LEU 115 Ca 0.03 -0.11 -0.18 0.00 -1.03 0.00 0.00 54.13 52.83 2k6y s LEU 115 Cb -0.13 -0.37 -0.03 0.00 0.03 0.00 0.00 46.19 45.69 2k6y s LEU 115 CO 0.02 0.01 1.16 -2.16 0.23 0.00 0.00 176.35 175.61 2k6y s PRO 116 N 0.38 3.02 -0.25 1.29 0.04 -1.25 -0.03 135.00 138.20 2k6y s PRO 116 Ca -0.05 1.66 -0.24 0.00 0.04 0.00 0.00 61.00 62.41 2k6y s PRO 116 Cb -0.08 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 2k6y s PRO 116 CO -0.00 -1.12 0.79 0.08 0.04 0.00 0.00 177.00 176.78 2k6y s VAL 117 N -1.83 4.86 0.23 -0.36 1.01 0.54 -1.45 120.40 123.40 2k6y s VAL 117 Ca 0.73 1.45 -0.11 0.00 0.00 0.00 0.00 61.98 64.06 2k6y s VAL 117 Cb -0.26 -4.08 -0.07 0.00 0.00 0.00 0.00 36.38 31.96 2k6y s VAL 117 CO 0.33 -0.07 0.57 -0.70 0.00 0.00 0.00 175.10 175.23 2k6y s GLU 118 N 2.79 3.84 0.00 2.72 2.56 0.32 -3.40 118.70 127.54 2k6y s GLU 118 Ca 0.33 0.34 0.00 0.00 0.00 0.00 0.00 54.97 55.64 2k6y s GLU 118 Cb -0.15 -2.66 0.00 0.00 2.00 0.00 0.00 34.13 33.32 2k6y s GLU 118 CO 0.08 0.32 0.43 0.00 -0.56 0.00 0.00 175.26 175.53 2k6y n ALA 119 N -0.04 1.16 0.54 6.30 0.00 -1.26 -0.71 120.51 126.50 2k6y n ALA 119 Ca 0.00 -0.43 0.06 0.00 0.00 0.00 0.00 53.44 53.08 2k6y n ALA 119 Cb 0.52 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.03 2k6y n ALA 119 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37