#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6y s SER 2 N 0.00 0.18 0.00 1.61 0.01 -1.26 -5.07 113.70 109.18 2k6y s SER 2 Ca 0.00 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.78 2k6y s SER 2 Cb 0.00 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.41 2k6y s SER 2 CO 0.00 -0.43 0.00 2.22 0.41 0.00 0.00 173.24 175.44 2k6y n PHE 3 N 1.11 0.00 -2.96 2.43 1.16 -1.26 -5.09 117.46 112.85 2k6y n PHE 3 Ca -0.21 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 54.94 2k6y n PHE 3 Cb 0.57 0.02 -0.05 0.00 -1.61 0.00 0.00 39.48 38.42 2k6y n PHE 3 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 2k6y s THR 4 N 0.00 4.55 -0.08 1.97 -4.23 -1.26 -5.03 115.64 111.55 2k6y s THR 4 Ca 0.00 -0.27 -0.25 0.00 -1.18 0.00 0.00 61.69 59.99 2k6y s THR 4 Cb 0.00 -4.51 -0.03 0.00 1.34 0.00 0.00 72.50 69.30 2k6y s THR 4 CO 0.00 -1.14 0.77 -1.61 -0.54 0.00 0.00 174.62 172.11 2k6y s GLU 5 N 3.48 4.42 -0.04 3.99 2.02 -1.26 -4.86 118.70 126.45 2k6y s GLU 5 Ca 0.22 0.99 -0.30 0.00 0.02 0.00 0.00 54.97 55.89 2k6y s GLU 5 Cb -0.17 -3.48 0.11 0.00 0.10 0.00 0.00 34.13 30.69 2k6y s GLU 5 CO 0.13 -0.06 1.32 0.20 0.02 0.00 0.00 175.26 176.88 2k6y s GLY 6 N 0.93 -0.28 -0.24 -1.39 0.00 -1.26 -0.49 107.32 104.58 2k6y s GLY 6 Ca 0.40 0.39 -0.10 0.00 0.00 0.00 0.00 44.72 45.40 2k6y s GLY 6 CO 0.18 3.30 0.55 0.66 0.00 0.00 0.00 173.10 177.79 2k6y s TRP 7 N -2.13 -1.00 0.48 1.90 -2.14 -0.04 -4.02 118.94 111.98 2k6y s TRP 7 Ca 0.23 1.88 -0.18 0.00 2.66 0.00 0.00 56.10 60.69 2k6y s TRP 7 Cb 0.02 0.53 -0.09 0.00 -3.10 0.00 0.00 33.47 30.84 2k6y s TRP 7 CO -0.03 -0.53 0.96 0.08 -2.66 0.00 0.00 176.95 174.77 2k6y s VAL 8 N 2.31 4.50 -0.05 -0.66 1.01 -0.17 -1.73 120.40 125.61 2k6y s VAL 8 Ca -0.06 1.27 0.11 0.00 0.00 0.00 0.00 61.98 63.30 2k6y s VAL 8 Cb -0.10 -3.68 -0.16 0.00 0.00 0.00 0.00 36.38 32.43 2k6y s VAL 8 CO -0.16 -0.56 0.25 -1.14 0.00 0.00 0.00 175.10 173.49 2k6y n ARG 9 N -1.26 0.59 -1.42 2.72 3.00 -0.52 -0.87 116.66 118.90 2k6y n ARG 9 Ca 0.06 -0.09 0.19 0.00 -0.00 0.00 0.00 57.85 58.01 2k6y n ARG 9 Cb 0.54 -1.23 -0.06 0.00 0.00 0.00 0.00 32.46 31.70 2k6y n ARG 9 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2k6y n PHE 10 N -1.82 -3.64 0.00 -0.14 7.35 -1.25 -2.44 117.46 115.52 2k6y n PHE 10 Ca -0.02 1.88 0.00 0.00 -0.76 0.00 0.00 57.45 58.55 2k6y n PHE 10 Cb 0.27 -3.31 0.00 0.00 0.35 0.00 0.00 39.48 36.79 2k6y n PHE 10 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2k6y n SER 11 N -4.25 0.00 0.00 -2.13 7.64 -1.26 -4.55 113.62 109.07 2k6y n SER 11 Ca -0.02 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.96 2k6y n SER 11 Cb 0.66 0.00 0.61 0.00 -1.01 0.00 0.00 64.21 64.46 2k6y n SER 11 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2k6y n PRO 12 N -0.04 0.62 0.00 1.43 -0.04 -1.26 -4.90 135.00 130.81 2k6y n PRO 12 Ca 0.00 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2k6y n PRO 12 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 0.30 0.64 0.00 0.55 0.00 -1.26 -4.96 105.19 100.46 2k6y n GLY 13 Ca 0.15 -1.99 0.14 0.00 0.00 0.00 0.00 46.02 44.32 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 0.80 0.42 -4.49 1.61 -0.04 -1.26 -4.99 135.00 127.05 2k6y n PRO 14 Ca 0.00 0.02 -0.25 0.00 -0.04 0.00 0.00 63.50 63.24 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 -2.54 2.67 0.00 3.54 2.20 -1.26 -1.32 114.94 118.23 2k6y s ASN 15 Ca 0.27 -1.65 0.00 0.00 -0.94 0.00 0.00 52.86 50.54 2k6y s ASN 15 Cb 0.19 0.46 0.00 0.00 -2.00 0.00 0.00 41.25 39.89 2k6y s ASN 15 CO 0.42 -0.91 0.00 0.00 -2.94 0.00 0.00 177.10 173.67 2k6y n ALA 16 N -0.87 0.00 -2.37 3.54 0.00 -0.30 -4.50 120.51 116.00 2k6y n ALA 16 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.20 2k6y n ALA 16 Cb 0.65 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.00 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 -1.00 2.01 -0.02 0.00 0.00 -1.26 -0.50 121.76 120.99 2k6y s ALA 17 Ca 0.00 -1.90 -0.14 0.00 0.00 0.00 0.00 51.96 49.92 2k6y s ALA 17 Cb 0.00 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.78 2k6y s ALA 17 CO 0.00 -0.30 0.30 0.00 0.00 0.00 0.00 175.76 175.75 2k6y s ALA 18 N -3.42 -0.75 0.01 0.00 0.00 -0.27 -1.44 121.76 115.89 2k6y s ALA 18 Ca 0.33 0.30 -0.09 0.00 0.00 0.00 0.00 51.96 52.50 2k6y s ALA 18 Cb 0.07 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.26 2k6y s ALA 18 CO 0.12 -0.25 0.18 0.71 0.00 0.00 0.00 175.76 176.52 2k6y s TYR 19 N -1.29 0.02 -0.14 0.00 2.02 -0.71 -1.60 117.35 115.65 2k6y s TYR 19 Ca -0.13 -0.14 -0.34 0.00 -0.37 0.00 0.00 57.07 56.09 2k6y s TYR 19 Cb -0.05 -0.03 0.13 0.00 -0.40 0.00 0.00 41.96 41.61 2k6y s TYR 19 CO 0.04 -0.35 1.16 -0.48 -1.57 0.00 0.00 175.55 174.35 2k6y s LEU 20 N -1.65 -0.17 0.35 -1.29 2.34 -1.26 -0.86 118.68 116.15 2k6y s LEU 20 Ca -0.11 -0.02 -0.16 0.00 0.06 0.00 0.00 54.13 53.90 2k6y s LEU 20 Cb -0.05 1.50 -0.09 0.00 -0.56 0.00 0.00 46.19 46.99 2k6y s LEU 20 CO -0.00 -0.31 0.79 -0.89 -1.06 0.00 0.00 176.35 174.88 2k6y s THR 21 N -2.54 4.61 0.30 5.48 2.01 0.35 -1.18 115.64 124.67 2k6y s THR 21 Ca 0.09 1.07 -0.01 0.00 0.31 0.00 0.00 61.69 63.15 2k6y s THR 21 Cb -0.01 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.88 2k6y s THR 21 CO -0.05 -0.24 0.36 -0.22 -0.69 0.00 0.00 174.62 173.78 2k6y s LEU 22 N -3.08 1.17 0.16 4.42 2.96 -0.17 -4.74 118.68 119.40 2k6y s LEU 22 Ca 0.56 -1.49 -0.17 0.00 -0.22 0.00 0.00 54.13 52.81 2k6y s LEU 22 Cb -0.10 1.05 0.03 0.00 0.50 0.00 0.00 46.19 47.67 2k6y s LEU 22 CO 0.17 -1.13 0.46 -1.83 -1.32 0.00 0.00 176.35 172.70 2k6y s GLU 23 N -3.46 1.21 -0.38 1.98 -1.05 -1.26 -0.76 118.70 114.97 2k6y s GLU 23 Ca 0.34 -0.76 -0.01 0.00 -0.15 0.00 0.00 54.97 54.38 2k6y s GLU 23 Cb 0.02 0.50 0.10 0.00 -0.44 0.00 0.00 34.13 34.30 2k6y s GLU 23 CO 0.20 -0.50 0.14 1.21 0.95 0.00 0.00 175.26 177.26 2k6y s ASN 24 N -2.83 5.11 0.00 0.83 2.47 0.20 -4.97 114.94 115.76 2k6y s ASN 24 Ca 0.06 -1.93 0.31 0.00 0.42 0.00 0.00 52.86 51.72 2k6y s ASN 24 Cb 0.01 -1.77 1.64 0.00 -1.45 0.00 0.00 41.25 39.68 2k6y s ASN 24 CO -0.08 -0.47 2.10 -0.81 -3.72 0.00 0.00 177.10 174.12 2k6y n PRO 25 N 4.54 0.79 -0.66 0.43 -0.04 -1.26 -2.00 135.00 136.80 2k6y n PRO 25 Ca -0.03 -0.08 -0.07 0.00 -0.04 0.00 0.00 63.50 63.29 2k6y n PRO 25 Cb 0.42 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.42 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 1.15 -0.61 0.04 0.55 0.00 -1.26 -4.68 105.19 100.38 2k6y n GLY 26 Ca 0.19 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.14 1.31 -4.54 1.61 8.00 -1.26 -2.32 116.55 116.22 2k6y n ASP 27 Ca 0.04 -1.26 -0.24 0.00 0.71 0.00 0.00 54.79 54.04 2k6y n ASP 27 Cb 0.14 -0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.14 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 -0.29 2.78 0.47 0.64 0.05 -1.26 -4.83 118.68 116.23 2k6y s LEU 28 Ca 0.01 -0.97 -0.14 0.00 0.05 0.00 0.00 54.13 53.08 2k6y s LEU 28 Cb 0.01 -1.24 -0.07 0.00 -2.05 0.00 0.00 46.19 42.84 2k6y s LEU 28 CO 0.01 -0.04 0.89 -2.16 -0.55 0.00 0.00 176.35 174.50 2k6y s PRO 29 N -3.58 3.87 0.22 1.48 0.04 -1.26 -3.98 135.00 131.78 2k6y s PRO 29 Ca 0.31 0.73 0.07 0.00 0.04 0.00 0.00 61.00 62.15 2k6y s PRO 29 Cb -0.04 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 2k6y s PRO 29 CO 0.17 -0.17 0.13 -0.51 0.04 0.00 0.00 177.00 176.66 2k6y s LEU 30 N -3.99 3.67 -0.15 -3.56 1.43 0.09 -4.96 118.68 111.21 2k6y s LEU 30 Ca 0.55 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 53.34 2k6y s LEU 30 Cb -0.10 -2.23 0.05 0.00 0.03 0.00 0.00 46.19 43.94 2k6y s LEU 30 CO 0.32 0.01 0.03 -0.60 0.23 0.00 0.00 176.35 176.34 2k6y s ARG 31 N -3.52 0.59 -0.34 1.70 3.52 -1.26 -0.45 118.95 119.19 2k6y s ARG 31 Ca 0.31 -0.21 -0.17 0.00 -0.13 0.00 0.00 55.73 55.53 2k6y s ARG 31 Cb -0.08 -1.70 -0.01 0.00 -1.56 0.00 0.00 34.95 31.59 2k6y s ARG 31 CO 0.23 -0.53 0.48 -1.17 -0.81 0.00 0.00 175.30 173.50 2k6y s LEU 32 N 1.92 4.35 0.00 -0.88 2.96 0.50 -1.66 118.68 125.88 2k6y s LEU 32 Ca 0.01 -0.04 0.08 0.00 -0.22 0.00 0.00 54.13 53.96 2k6y s LEU 32 Cb -0.15 -2.53 -0.06 0.00 0.50 0.00 0.00 46.19 43.94 2k6y s LEU 32 CO -0.07 -0.43 0.39 1.33 -1.32 0.00 0.00 176.35 176.24 2k6y n VAL 33 N 5.36 0.00 -3.27 1.68 0.24 0.59 -0.40 118.33 122.54 2k6y n VAL 33 Ca -0.06 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 2k6y n VAL 33 Cb 0.49 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 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 1.09 -0.71 1.88 7.63 0.00 -1.19 -4.72 105.19 109.19 2k6y n GLY 34 Ca 0.02 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.08 -3.48 4.61 0.00 -1.26 -0.98 120.51 119.33 2k6y n ALA 35 Ca 0.00 -0.95 -0.15 0.00 0.00 0.00 0.00 53.44 52.34 2k6y n ALA 35 Cb 0.00 0.77 -0.08 0.00 0.00 0.00 0.00 19.45 20.14 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 -2.51 0.81 0.05 0.00 3.52 -0.47 -4.84 118.95 115.51 2k6y s ARG 36 Ca 0.18 0.54 -0.17 0.00 -0.13 0.00 0.00 55.73 56.14 2k6y s ARG 36 Cb -0.00 0.39 0.03 0.00 -1.56 0.00 0.00 34.95 33.81 2k6y s ARG 36 CO 0.13 -0.17 0.40 -0.08 -0.81 0.00 0.00 175.30 174.76 2k6y s THR 37 N -0.34 0.06 0.02 4.11 -1.32 -1.26 -0.80 115.64 116.11 2k6y s THR 37 Ca -0.05 -0.50 0.29 0.00 -1.21 0.00 0.00 61.69 60.22 2k6y s THR 37 Cb -0.03 -0.97 0.33 0.00 -1.51 0.00 0.00 72.50 70.33 2k6y s THR 37 CO 0.04 -0.27 1.87 1.55 -2.21 0.00 0.00 174.62 175.60 2k6y h PRO 38 N 2.99 0.00 0.00 7.08 0.13 -2.00 -3.37 132.00 136.84 2k6y h PRO 38 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2k6y h PRO 38 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k6y h PRO 38 CO 0.44 0.07 -0.82 1.33 -0.23 0.00 0.00 178.00 178.79 2k6y n VAL 39 N -3.18 0.33 -3.59 1.56 0.24 -1.26 -4.44 118.33 107.99 2k6y n VAL 39 Ca 0.01 -0.31 -0.11 0.00 -2.04 0.00 0.00 64.34 61.89 2k6y n VAL 39 Cb 0.38 -0.05 -0.04 0.00 -1.47 0.00 0.00 33.84 32.66 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 -3.21 -1.09 0.00 2.33 0.00 -1.26 -2.03 121.76 116.50 2k6y s ALA 40 Ca 0.04 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.12 2k6y s ALA 40 Cb 0.13 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.94 2k6y s ALA 40 CO 0.76 -0.65 0.00 -1.91 0.00 0.00 0.00 175.76 173.96 2k6y n GLU 41 N -0.17 0.00 -2.75 0.00 4.07 0.15 -4.50 120.64 117.44 2k6y n GLU 41 Ca -0.17 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.51 2k6y n GLU 41 Cb 0.64 -0.06 -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 0.00 3.55 0.25 5.31 3.52 -0.28 -4.90 118.95 126.41 2k6y s ARG 42 Ca 0.00 -1.38 -0.30 0.00 -0.13 0.00 0.00 55.73 53.93 2k6y s ARG 42 Cb 0.00 -5.04 -0.09 0.00 -1.56 0.00 0.00 34.95 28.26 2k6y s ARG 42 CO 0.00 -1.98 1.06 0.54 -0.81 0.00 0.00 175.30 174.11 2k6y s VAL 43 N 3.86 3.71 -0.05 7.11 0.11 -1.26 -1.33 120.40 132.55 2k6y s VAL 43 Ca 0.38 1.67 -0.02 0.00 -2.93 0.00 0.00 61.98 61.09 2k6y s VAL 43 Cb -0.04 -4.07 0.03 0.00 -1.53 0.00 0.00 36.38 30.78 2k6y s VAL 43 CO -0.08 0.38 0.03 -1.61 -3.33 0.00 0.00 175.10 170.49 2k6y s GLU 44 N -1.16 0.21 -0.28 1.54 0.41 0.11 -4.73 118.70 114.80 2k6y s GLU 44 Ca 0.44 0.25 -0.28 0.00 -0.41 0.00 0.00 54.97 54.98 2k6y s GLU 44 Cb -0.30 -0.68 0.01 0.00 -1.78 0.00 0.00 34.13 31.38 2k6y s GLU 44 CO 0.38 -0.31 1.00 -1.17 -0.49 0.00 0.00 175.26 174.67 2k6y s LEU 45 N 2.01 4.03 0.14 1.80 0.20 -1.26 -0.40 118.68 125.20 2k6y s LEU 45 Ca 0.04 1.12 0.03 0.00 0.69 0.00 0.00 54.13 56.02 2k6y s LEU 45 Cb -0.12 -3.45 -0.04 0.00 -0.43 0.00 0.00 46.19 42.15 2k6y s LEU 45 CO -0.04 -0.73 0.18 -1.00 -0.29 0.00 0.00 176.35 174.47 2k6y s HIS 46 N 3.32 3.30 0.66 5.38 3.76 0.45 -0.76 115.29 131.41 2k6y s HIS 46 Ca 0.42 0.07 0.03 0.00 -0.15 0.00 0.00 55.06 55.43 2k6y s HIS 46 Cb -0.14 -1.60 0.11 0.00 1.11 0.00 0.00 32.58 32.06 2k6y s HIS 46 CO 0.11 0.53 0.91 -1.83 -0.85 0.00 0.00 174.74 173.61 2k6y s GLU 47 N -2.98 1.91 -0.19 1.40 -1.05 0.13 -1.04 118.70 116.89 2k6y s GLU 47 Ca 0.32 -1.34 -0.04 0.00 -0.15 0.00 0.00 54.97 53.77 2k6y s GLU 47 Cb -0.11 -2.46 0.09 0.00 -0.44 0.00 0.00 34.13 31.21 2k6y s GLU 47 CO 0.25 -1.22 0.23 0.99 0.95 0.00 0.00 175.26 176.46 2k6y s THR 48 N -2.95 -0.35 0.26 1.83 2.01 0.67 -3.49 115.64 113.62 2k6y s THR 48 Ca 0.65 -0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.63 2k6y s THR 48 Cb -0.05 -0.63 -0.03 0.00 0.01 0.00 0.00 72.50 71.79 2k6y s THR 48 CO 0.42 -0.14 0.43 0.72 -0.69 0.00 0.00 174.62 175.37 2k6y s PHE 49 N 2.35 3.48 0.03 4.92 -0.12 -0.09 -4.27 117.98 124.28 2k6y s PHE 49 Ca 0.06 0.21 -0.00 0.00 -0.05 0.00 0.00 56.93 57.15 2k6y s PHE 49 Cb -0.15 -1.76 -0.04 0.00 -0.63 0.00 0.00 43.02 40.44 2k6y s PHE 49 CO -0.11 0.31 0.15 -1.64 -0.05 0.00 0.00 175.22 173.88 2k6y s MET 50 N -3.89 3.25 -0.12 1.99 -1.94 -1.26 -2.58 119.30 114.76 2k6y s MET 50 Ca 0.37 -0.47 -0.27 0.00 -1.71 0.00 0.00 55.69 53.61 2k6y s MET 50 Cb -0.10 -2.96 0.07 0.00 2.01 0.00 0.00 34.83 33.85 2k6y s MET 50 CO 0.31 0.63 0.65 0.50 -0.01 0.00 0.00 175.02 177.11 2k6y s ARG 51 N -2.18 0.94 0.07 2.03 3.52 0.04 -4.99 118.95 118.39 2k6y s ARG 51 Ca 0.29 0.46 -0.08 0.00 -0.13 0.00 0.00 55.73 56.27 2k6y s ARG 51 Cb -0.13 0.45 -0.05 0.00 -1.56 0.00 0.00 34.95 33.66 2k6y s ARG 51 CO 0.21 -0.24 0.35 -1.21 -0.81 0.00 0.00 175.30 173.61 2k6y s GLU 52 N -0.68 3.68 -0.04 5.12 8.01 -1.26 0.08 118.70 133.61 2k6y s GLU 52 Ca -0.07 0.05 -0.02 0.00 0.01 0.00 0.00 54.97 54.94 2k6y s GLU 52 Cb -0.02 -3.00 0.03 0.00 -4.31 0.00 0.00 34.13 26.83 2k6y s GLU 52 CO 0.07 0.57 0.06 0.08 0.01 0.00 0.00 175.26 176.04 2k6y s VAL 53 N -1.41 -0.08 -1.52 2.63 1.01 -0.38 -4.82 120.40 115.82 2k6y s VAL 53 Ca 0.33 0.40 -0.04 0.00 0.00 0.00 0.00 61.98 62.67 2k6y s VAL 53 Cb -0.13 -0.17 0.01 0.00 0.00 0.00 0.00 36.38 36.09 2k6y s VAL 53 CO 0.19 0.18 0.40 1.21 0.00 0.00 0.00 175.10 177.08 2k6y n GLU 54 N 5.24 -3.72 -0.01 2.72 0.00 -1.26 -1.38 120.64 122.23 2k6y n GLU 54 Ca -0.04 0.84 0.00 0.00 0.00 0.00 0.00 57.16 57.96 2k6y n GLU 54 Cb 0.50 -5.61 0.00 0.00 0.00 0.00 0.00 31.44 26.33 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 -1.29 1.74 3.75 8.31 0.00 -1.26 -4.98 105.19 111.45 2k6y n GLY 55 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 4.80 0.13 1.61 -0.14 -0.48 -4.98 119.74 120.67 2k6y s LYS 56 Ca 0.00 1.58 -0.31 0.00 -1.36 0.00 0.00 55.97 55.88 2k6y s LYS 56 Cb 0.00 -3.25 -0.08 0.00 -1.68 0.00 0.00 37.83 32.82 2k6y s LYS 56 CO 0.00 0.43 1.34 0.15 -0.76 0.00 0.00 175.35 176.51 2k6y s LYS 57 N -1.25 4.35 0.03 1.68 -0.14 -1.26 -1.25 119.74 121.90 2k6y s LYS 57 Ca 0.42 2.02 0.03 0.00 -1.36 0.00 0.00 55.97 57.08 2k6y s LYS 57 Cb -0.28 -3.25 -0.02 0.00 -1.68 0.00 0.00 37.83 32.61 2k6y s LYS 57 CO 0.35 -0.36 -0.08 0.08 -0.76 0.00 0.00 175.35 174.57 2k6y s VAL 58 N 0.85 0.61 0.07 3.17 1.01 0.11 -4.92 120.40 121.31 2k6y s VAL 58 Ca 0.62 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.80 2k6y s VAL 58 Cb -0.36 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 2k6y s VAL 58 CO 0.32 -0.19 -0.17 -0.04 0.00 0.00 0.00 175.10 175.02 2k6y s MET 59 N -1.15 0.97 0.39 2.72 -1.94 -1.26 -0.78 119.30 118.25 2k6y s MET 59 Ca -0.05 -0.99 -0.14 0.00 -1.71 0.00 0.00 55.69 52.80 2k6y s MET 59 Cb -0.08 -1.07 0.06 0.00 2.01 0.00 0.00 34.83 35.76 2k6y s MET 59 CO 0.00 0.25 0.78 0.41 -0.01 0.00 0.00 175.02 176.45 2k6y n GLY 60 N 1.35 1.01 3.22 -0.03 0.00 -1.06 -5.00 105.19 104.68 2k6y n GLY 60 Ca -0.20 -1.27 -0.21 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.11 0.99 -0.00 1.61 -1.94 -1.26 -0.92 119.30 115.67 2k6y s MET 61 Ca 0.16 -1.02 -0.04 0.00 -1.71 0.00 0.00 55.69 53.08 2k6y s MET 61 Cb -0.05 -1.11 -0.00 0.00 2.01 0.00 0.00 34.83 35.68 2k6y s MET 61 CO 0.12 0.26 0.08 1.03 -0.01 0.00 0.00 175.02 176.49 2k6y s ARG 62 N -1.71 0.34 0.60 2.03 0.52 -1.23 -5.01 118.95 114.49 2k6y s ARG 62 Ca 0.02 -0.33 -0.18 0.00 -0.52 0.00 0.00 55.73 54.73 2k6y s ARG 62 Cb -0.10 0.14 -0.03 0.00 0.52 0.00 0.00 34.95 35.48 2k6y s ARG 62 CO 0.03 -0.07 1.15 -1.25 0.02 0.00 0.00 175.30 175.18 2k6y s PRO 63 N -1.05 3.00 0.13 3.54 0.04 -1.26 -0.69 135.00 138.70 2k6y s PRO 63 Ca -0.11 1.63 0.07 0.00 0.04 0.00 0.00 61.00 62.62 2k6y s PRO 63 Cb -0.07 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2k6y s PRO 63 CO 0.00 -1.14 -0.15 0.14 0.04 0.00 0.00 177.00 175.89 2k6y s VAL 64 N -1.88 1.47 -0.80 -0.36 -7.23 0.06 -4.85 120.40 106.81 2k6y s VAL 64 Ca 0.73 -1.76 0.18 0.00 -1.81 0.00 0.00 61.98 59.32 2k6y s VAL 64 Cb -0.25 -1.61 0.17 0.00 0.56 0.00 0.00 36.38 35.25 2k6y s VAL 64 CO 0.34 -0.37 1.57 -0.81 -0.31 0.00 0.00 175.10 175.51 2k6y n PRO 65 N 0.50 0.08 -3.61 4.82 -0.04 -1.26 -4.64 135.00 130.85 2k6y n PRO 65 Ca -0.15 0.31 -0.01 0.00 -0.04 0.00 0.00 63.50 63.61 2k6y n PRO 65 Cb 0.57 -1.64 -0.01 0.00 -0.04 0.00 0.00 33.50 32.37 2k6y n PRO 65 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2k6y s PHE 66 N -3.12 -0.05 0.47 0.54 -0.12 -1.26 -4.75 117.98 109.68 2k6y s PHE 66 Ca 0.06 0.02 0.06 0.00 -0.05 0.00 0.00 56.93 57.01 2k6y s PHE 66 Cb 0.10 0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 42.98 2k6y s PHE 66 CO 0.32 -0.12 0.23 -0.51 -0.05 0.00 0.00 175.22 175.09 2k6y s LEU 67 N -2.40 2.86 0.23 -1.99 1.43 0.47 -5.00 118.68 114.28 2k6y s LEU 67 Ca 0.12 -1.21 -0.16 0.00 -1.03 0.00 0.00 54.13 51.85 2k6y s LEU 67 Cb 0.01 -1.28 0.01 0.00 0.03 0.00 0.00 46.19 44.97 2k6y s LEU 67 CO -0.04 -0.78 0.54 -1.83 0.23 0.00 0.00 176.35 174.47 2k6y s GLU 68 N -4.03 1.51 -0.10 1.70 -1.05 -1.26 -0.37 118.70 115.10 2k6y s GLU 68 Ca 0.33 -1.04 -0.07 0.00 -0.15 0.00 0.00 54.97 54.05 2k6y s GLU 68 Cb 0.01 0.52 0.03 0.00 -0.44 0.00 0.00 34.13 34.25 2k6y s GLU 68 CO 0.19 -0.65 0.25 0.08 0.95 0.00 0.00 175.26 176.08 2k6y s VAL 69 N -3.94 -0.02 0.83 1.83 1.01 0.41 -4.94 120.40 115.59 2k6y s VAL 69 Ca 0.14 0.07 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 2k6y s VAL 69 Cb -0.02 -0.36 0.09 0.00 0.00 0.00 0.00 36.38 36.09 2k6y s VAL 69 CO 0.03 0.03 1.12 -2.16 0.00 0.00 0.00 175.10 174.12 2k6y s PRO 70 N 0.65 1.79 0.46 2.72 0.04 -1.26 -0.73 135.00 138.66 2k6y s PRO 70 Ca -0.04 0.46 -0.24 0.00 0.04 0.00 0.00 61.00 61.21 2k6y s PRO 70 Cb -0.06 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 2k6y s PRO 70 CO -0.04 -1.79 1.29 -1.25 0.04 0.00 0.00 177.00 175.25 2k6y s PRO 71 N -5.25 3.69 -1.29 0.56 0.04 -1.26 -3.32 135.00 128.17 2k6y s PRO 71 Ca 0.62 2.09 -0.14 0.00 0.04 0.00 0.00 61.00 63.61 2k6y s PRO 71 Cb -0.14 -2.53 0.01 0.00 0.04 0.00 0.00 34.50 31.87 2k6y s PRO 71 CO 0.53 -0.70 0.56 1.63 0.04 0.00 0.00 177.00 179.06 2k6y n LYS 72 N -0.35 -1.80 -3.85 4.56 4.01 -0.85 -4.99 118.16 114.89 2k6y n LYS 72 Ca 0.06 0.33 -0.23 0.00 -0.51 0.00 0.00 58.31 57.97 2k6y n LYS 72 Cb 0.45 -3.94 -0.17 0.00 -0.51 0.00 0.00 35.03 30.86 2k6y n LYS 72 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2k6y s GLY 73 N -3.91 0.53 0.31 0.72 0.00 -0.96 -5.01 107.32 99.00 2k6y s GLY 73 Ca 0.26 -0.19 -0.20 0.00 0.00 0.00 0.00 44.72 44.59 2k6y s GLY 73 CO 0.90 0.99 0.81 -1.60 0.00 0.00 0.00 173.10 174.20 2k6y s ARG 74 N 1.78 4.25 -0.05 2.90 3.52 -1.26 -0.62 118.95 129.46 2k6y s ARG 74 Ca 0.03 0.95 -0.04 0.00 -0.13 0.00 0.00 55.73 56.54 2k6y s ARG 74 Cb -0.13 -2.61 0.02 0.00 -1.56 0.00 0.00 34.95 30.67 2k6y s ARG 74 CO -0.05 0.23 0.12 0.14 -0.81 0.00 0.00 175.30 174.93 2k6y s VAL 75 N -1.79 -0.01 -0.06 7.11 -7.23 0.06 -4.96 120.40 113.51 2k6y s VAL 75 Ca 0.51 0.05 0.02 0.00 -1.81 0.00 0.00 61.98 60.75 2k6y s VAL 75 Cb -0.14 -0.18 -0.03 0.00 0.56 0.00 0.00 36.38 36.59 2k6y s VAL 75 CO 0.19 0.02 -0.10 -1.61 -0.31 0.00 0.00 175.10 173.29 2k6y s GLU 76 N 0.37 2.64 -1.35 4.82 8.01 -1.26 -1.00 118.70 130.92 2k6y s GLU 76 Ca -0.03 -0.62 -0.12 0.00 0.01 0.00 0.00 54.97 54.22 2k6y s GLU 76 Cb -0.04 -2.50 -0.06 0.00 -4.31 0.00 0.00 34.13 27.23 2k6y s GLU 76 CO -0.01 0.65 2.49 1.28 0.01 0.00 0.00 175.26 179.67 2k6y n LEU 77 N 2.22 7.01 -4.67 1.80 4.32 -0.33 -4.82 117.00 122.52 2k6y n LEU 77 Ca -0.17 -3.86 -0.44 0.00 -0.02 0.00 0.00 56.01 51.52 2k6y n LEU 77 Cb 0.53 -1.45 -0.04 0.00 -1.62 0.00 0.00 43.42 40.84 2k6y n LEU 77 CO 0.26 1.27 1.54 2.29 -1.22 0.00 0.00 177.39 181.53 2k6y n LYS 78 N 4.75 2.64 -0.24 3.23 2.85 -1.13 -4.33 118.16 125.93 2k6y n LYS 78 Ca 0.62 0.97 -0.10 0.00 -1.05 0.00 0.00 58.31 58.74 2k6y n LYS 78 Cb 0.27 -2.88 -0.06 0.00 -0.65 0.00 0.00 35.03 31.71 2k6y n LYS 78 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 2k6y h PRO 79 N 9.67 -0.21 -2.11 -1.58 0.13 -1.93 -0.80 132.00 135.18 2k6y h PRO 79 Ca -0.49 0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 64.51 2k6y h PRO 79 Cb 1.25 0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 2k6y h PRO 79 CO 0.94 -0.14 -0.24 0.41 -0.23 0.00 0.00 178.00 178.74 2k6y n GLY 80 N -1.37 2.68 1.45 1.56 0.00 -1.26 -3.70 105.19 104.55 2k6y n GLY 80 Ca 0.01 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 2.43 -0.69 3.48 -0.02 0.00 -0.42 -4.88 105.19 105.09 2k6y n GLY 81 Ca 0.33 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.64 0.18 1.61 2.02 -0.54 -0.24 117.35 117.74 2k6y s TYR 82 Ca 0.00 1.56 -0.23 0.00 -0.37 0.00 0.00 57.07 58.02 2k6y s TYR 82 Cb 0.00 0.23 0.07 0.00 -0.40 0.00 0.00 41.96 41.86 2k6y s TYR 82 CO 0.00 -0.31 0.98 -3.38 -1.57 0.00 0.00 175.55 171.27 2k6y s HIS 83 N 0.37 -0.04 -0.12 2.71 -3.43 -0.20 -2.81 115.29 111.76 2k6y s HIS 83 Ca -0.01 -0.32 -0.02 0.00 -0.80 0.00 0.00 55.06 53.92 2k6y s HIS 83 Cb -0.04 0.67 -0.03 0.00 -1.43 0.00 0.00 32.58 31.75 2k6y s HIS 83 CO -0.00 -0.90 -0.06 -0.06 -2.00 0.00 0.00 174.74 171.72 2k6y s PHE 84 N -2.82 2.97 0.23 0.38 0.08 -0.63 -0.41 117.98 117.78 2k6y s PHE 84 Ca 0.16 -0.21 -0.21 0.00 0.12 0.00 0.00 56.93 56.79 2k6y s PHE 84 Cb -0.02 -1.85 -0.08 0.00 -0.57 0.00 0.00 43.02 40.50 2k6y s PHE 84 CO 0.04 0.10 0.76 -1.64 -0.10 0.00 0.00 175.22 174.38 2k6y s MET 85 N -0.12 4.33 -0.23 0.44 -1.94 0.47 -1.11 119.30 121.13 2k6y s MET 85 Ca 0.02 0.96 -0.01 0.00 -1.71 0.00 0.00 55.69 54.95 2k6y s MET 85 Cb -0.13 -2.91 0.02 0.00 2.01 0.00 0.00 34.83 33.82 2k6y s MET 85 CO 0.03 0.40 -0.08 -0.51 -0.01 0.00 0.00 175.02 174.84 2k6y s LEU 86 N -1.90 2.99 -0.11 -0.03 1.43 0.34 -0.71 118.68 120.70 2k6y s LEU 86 Ca 0.43 -0.78 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 2k6y s LEU 86 Cb -0.18 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 2k6y s LEU 86 CO 0.22 -0.09 -0.05 -0.76 0.23 0.00 0.00 176.35 175.89 2k6y s LEU 87 N 1.34 3.22 -0.11 1.79 1.43 -0.44 -1.15 118.68 124.76 2k6y s LEU 87 Ca 0.01 -0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.01 2k6y s LEU 87 Cb -0.16 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.33 2k6y s LEU 87 CO -0.06 0.27 0.14 0.61 0.23 0.00 0.00 176.35 177.54 2k6y n GLY 88 N 2.88 -0.81 3.55 -3.19 0.00 -0.44 -1.12 105.19 106.06 2k6y n GLY 88 Ca -0.18 0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2k6y n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k6y s LEU 89 N -1.47 3.27 0.13 0.99 1.43 -1.19 -0.68 118.68 121.16 2k6y s LEU 89 Ca 0.05 0.17 0.25 0.00 -1.03 0.00 0.00 54.13 53.57 2k6y s LEU 89 Cb -0.02 -2.59 0.94 0.00 0.03 0.00 0.00 46.19 44.56 2k6y s LEU 89 CO 0.18 -2.20 1.77 2.29 0.23 0.00 0.00 176.35 178.62 2k6y n LYS 90 N 9.19 0.14 -3.81 1.70 2.85 -0.86 -4.76 118.16 122.60 2k6y n LYS 90 Ca 0.16 0.20 -0.12 0.00 -1.05 0.00 0.00 58.31 57.49 2k6y n LYS 90 Cb 0.51 -1.69 -0.09 0.00 -0.65 0.00 0.00 35.03 33.11 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 -3.10 0.55 0.54 -1.58 0.52 -1.21 -4.99 118.95 109.68 2k6y s ARG 91 Ca 0.10 -0.20 -0.20 0.00 -0.52 0.00 0.00 55.73 54.91 2k6y s ARG 91 Cb 0.13 0.24 -0.05 0.00 0.52 0.00 0.00 34.95 35.79 2k6y s ARG 91 CO 0.49 -0.14 1.18 -1.25 0.02 0.00 0.00 175.30 175.61 2k6y s PRO 92 N -1.15 3.33 -0.03 3.54 0.04 -1.26 -4.83 135.00 134.63 2k6y s PRO 92 Ca -0.12 1.78 0.05 0.00 0.04 0.00 0.00 61.00 62.74 2k6y s PRO 92 Cb -0.06 -2.11 0.10 0.00 0.04 0.00 0.00 34.50 32.47 2k6y s PRO 92 CO 0.03 -0.91 1.07 1.47 0.04 0.00 0.00 177.00 178.70 2k6y n LEU 93 N -1.14 -0.73 -4.31 -3.56 -0.00 -1.26 -5.05 117.00 100.95 2k6y n LEU 93 Ca 0.11 -2.11 -0.39 0.00 -0.00 0.00 0.00 56.01 53.61 2k6y n LEU 93 Cb 0.49 0.01 0.01 0.00 -0.00 0.00 0.00 43.42 43.94 2k6y n LEU 93 CO 0.45 1.37 -0.42 1.17 -0.00 0.00 0.00 177.39 179.96 2k6y n LYS 94 N -0.06 0.14 -1.63 1.47 4.81 -1.26 -4.61 118.16 117.02 2k6y n LYS 94 Ca -0.22 0.05 -0.46 0.00 -0.87 0.00 0.00 58.31 56.81 2k6y n LYS 94 Cb 0.78 -1.17 -0.03 0.00 0.02 0.00 0.00 35.03 34.62 2k6y n LYS 94 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k6y n ALA 95 N -1.42 0.23 0.00 3.14 0.00 -1.26 -1.20 120.51 119.99 2k6y n ALA 95 Ca 0.09 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.97 2k6y n ALA 95 Cb 0.46 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.75 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 2.03 1.05 3.78 0.00 0.00 -0.75 -5.00 105.19 106.30 2k6y n GLY 96 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.82 2.60 0.04 1.61 8.01 -0.34 -4.88 118.70 124.91 2k6y s GLU 97 Ca 0.00 1.21 0.02 0.00 0.01 0.00 0.00 54.97 56.22 2k6y s GLU 97 Cb 0.00 -1.94 -0.04 0.00 -4.31 0.00 0.00 34.13 27.85 2k6y s GLU 97 CO 0.00 -1.39 0.03 -1.21 0.01 0.00 0.00 175.26 172.71 2k6y s GLU 98 N -4.60 2.80 -0.10 1.61 0.41 -1.26 -0.25 118.70 117.30 2k6y s GLU 98 Ca 0.63 -0.67 0.00 0.00 -0.41 0.00 0.00 54.97 54.52 2k6y s GLU 98 Cb -0.18 -2.68 0.02 0.00 -1.78 0.00 0.00 34.13 29.51 2k6y s GLU 98 CO 0.50 0.59 -0.09 0.08 -0.49 0.00 0.00 175.26 175.85 2k6y s VAL 99 N -1.24 1.07 -0.12 2.63 1.01 0.12 -4.90 120.40 118.97 2k6y s VAL 99 Ca 0.24 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.57 2k6y s VAL 99 Cb -0.12 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 2k6y s VAL 99 CO 0.16 0.37 1.30 -1.61 0.00 0.00 0.00 175.10 175.32 2k6y s GLU 100 N 1.38 4.25 -0.11 2.72 0.41 -1.26 -1.13 118.70 124.97 2k6y s GLU 100 Ca -0.01 1.74 0.02 0.00 -0.41 0.00 0.00 54.97 56.32 2k6y s GLU 100 Cb -0.14 -3.73 0.01 0.00 -1.78 0.00 0.00 34.13 28.50 2k6y s GLU 100 CO -0.05 -0.66 -0.17 -0.51 -0.49 0.00 0.00 175.26 173.38 2k6y s LEU 101 N 3.21 1.83 -0.70 1.80 1.43 -0.15 -4.15 118.68 121.94 2k6y s LEU 101 Ca 0.58 -0.46 -0.17 0.00 -1.03 0.00 0.00 54.13 53.05 2k6y s LEU 101 Cb -0.24 -1.16 0.14 0.00 0.03 0.00 0.00 46.19 44.96 2k6y s LEU 101 CO 0.19 0.05 0.75 -1.81 0.23 0.00 0.00 176.35 175.76 2k6y s ASP 102 N 0.82 6.40 0.02 2.29 1.11 0.02 -0.62 116.67 126.72 2k6y s ASP 102 Ca -0.09 -1.92 -0.30 0.00 0.18 0.00 0.00 52.55 50.41 2k6y s ASP 102 Cb -0.16 -2.28 -0.06 0.00 1.07 0.00 0.00 42.92 41.50 2k6y s ASP 102 CO 0.01 -0.92 1.38 -0.76 1.18 0.00 0.00 175.17 176.05 2k6y s LEU 103 N 1.85 4.33 -0.06 1.23 1.43 -0.88 -1.37 118.68 125.20 2k6y s LEU 103 Ca 0.15 2.12 -0.13 0.00 -1.03 0.00 0.00 54.13 55.24 2k6y s LEU 103 Cb -0.18 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.42 2k6y s LEU 103 CO -0.01 -0.69 0.34 -0.76 0.23 0.00 0.00 176.35 175.46 2k6y s LEU 104 N 2.12 4.41 0.04 1.79 1.43 -0.15 -0.88 118.68 127.45 2k6y s LEU 104 Ca 0.63 0.78 0.03 0.00 -1.03 0.00 0.00 54.13 54.54 2k6y s LEU 104 Cb -0.32 -2.45 -0.02 0.00 0.03 0.00 0.00 46.19 43.43 2k6y s LEU 104 CO 0.27 0.29 -0.10 -0.36 0.23 0.00 0.00 176.35 176.69 2k6y s PHE 105 N -0.75 0.84 0.91 0.29 0.40 -0.97 -0.30 117.98 118.39 2k6y s PHE 105 Ca 0.21 -0.43 -0.11 0.00 -0.60 0.00 0.00 56.93 56.00 2k6y s PHE 105 Cb -0.15 -0.49 0.14 0.00 0.51 0.00 0.00 43.02 43.02 2k6y s PHE 105 CO 0.10 -0.03 1.10 0.00 0.70 0.00 0.00 175.22 177.09 2k6y s ALA 106 N -1.17 1.43 -0.33 5.36 0.00 -0.66 -3.03 121.76 123.36 2k6y s ALA 106 Ca -0.06 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.12 2k6y s ALA 106 Cb -0.09 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2k6y s ALA 106 CO 0.01 -2.53 0.00 0.41 0.00 0.00 0.00 175.76 173.65 2k6y n GLY 107 N -0.48 0.44 2.37 0.00 0.00 -1.26 -4.13 105.19 102.13 2k6y n GLY 107 Ca 0.08 -0.84 -0.07 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.81 -0.17 3.24 -0.02 0.00 -1.26 -5.06 105.19 100.11 2k6y n GLY 108 Ca -0.04 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.65 1.03 -0.24 1.61 -0.14 -1.17 -5.09 119.74 112.09 2k6y s LYS 109 Ca 0.22 -1.31 -0.27 0.00 -1.36 0.00 0.00 55.97 53.25 2k6y s LYS 109 Cb -0.03 0.31 0.13 0.00 -1.68 0.00 0.00 37.83 36.56 2k6y s LYS 109 CO 0.37 -0.33 1.08 0.54 -0.76 0.00 0.00 175.35 176.25 2k6y s VAL 110 N -4.01 0.00 -0.32 3.17 0.11 -1.26 -2.30 120.40 115.79 2k6y s VAL 110 Ca 0.20 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.23 2k6y s VAL 110 Cb 0.05 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 34.02 2k6y s VAL 110 CO 0.01 0.00 0.15 -0.76 -3.33 0.00 0.00 175.10 171.17 2k6y s LEU 111 N -0.38 1.18 0.28 2.54 1.43 -0.06 -4.97 118.68 118.71 2k6y s LEU 111 Ca 0.02 -1.67 -0.25 0.00 -1.03 0.00 0.00 54.13 51.19 2k6y s LEU 111 Cb -0.03 -0.53 -0.09 0.00 0.03 0.00 0.00 46.19 45.57 2k6y s LEU 111 CO -0.04 -0.39 0.89 -1.59 0.23 0.00 0.00 176.35 175.44 2k6y s LYS 112 N 1.62 4.57 -0.05 1.70 -2.85 -1.26 -2.08 119.74 121.39 2k6y s LYS 112 Ca 0.12 1.25 -0.05 0.00 -1.00 0.00 0.00 55.97 56.29 2k6y s LYS 112 Cb -0.19 -2.94 0.01 0.00 -2.06 0.00 0.00 37.83 32.66 2k6y s LYS 112 CO -0.23 0.37 0.15 0.14 0.10 0.00 0.00 175.35 175.89 2k6y s VAL 113 N -1.48 0.00 0.17 1.79 -7.23 0.21 -4.96 120.40 108.90 2k6y s VAL 113 Ca 0.46 -0.04 -0.14 0.00 -1.81 0.00 0.00 61.98 60.45 2k6y s VAL 113 Cb -0.20 -0.24 -0.07 0.00 0.56 0.00 0.00 36.38 36.43 2k6y s VAL 113 CO 0.25 -0.02 0.57 0.54 -0.31 0.00 0.00 175.10 176.12 2k6y s VAL 114 N 0.00 4.84 -0.04 1.32 0.11 -1.26 -0.98 120.40 124.40 2k6y s VAL 114 Ca -0.01 0.82 -0.29 0.00 -2.93 0.00 0.00 61.98 59.57 2k6y s VAL 114 Cb -0.01 -3.73 0.09 0.00 -1.53 0.00 0.00 36.38 31.20 2k6y s VAL 114 CO 0.00 0.19 0.78 -1.48 -3.33 0.00 0.00 175.10 171.27 2k6y s LEU 115 N -2.10 -0.52 0.75 2.54 0.05 -0.28 -4.88 118.68 114.23 2k6y s LEU 115 Ca 0.40 0.40 -0.11 0.00 0.05 0.00 0.00 54.13 54.87 2k6y s LEU 115 Cb -0.14 2.29 0.04 0.00 -2.05 0.00 0.00 46.19 46.32 2k6y s LEU 115 CO 0.19 -0.60 1.08 -2.16 -0.55 0.00 0.00 176.35 174.31 2k6y s PRO 116 N -1.89 2.52 -0.13 1.48 0.04 -1.26 0.12 135.00 135.89 2k6y s PRO 116 Ca -0.04 0.88 -0.16 0.00 0.04 0.00 0.00 61.00 61.72 2k6y s PRO 116 Cb -0.00 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 2k6y s PRO 116 CO 0.01 -1.38 0.41 0.08 0.04 0.00 0.00 177.00 176.16 2k6y s VAL 117 N -3.05 5.22 0.33 -0.36 1.01 0.66 -1.00 120.40 123.20 2k6y s VAL 117 Ca 0.59 0.80 0.08 0.00 0.00 0.00 0.00 61.98 63.45 2k6y s VAL 117 Cb -0.15 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 2k6y s VAL 117 CO 0.55 0.36 0.26 -1.61 0.00 0.00 0.00 175.10 174.66 2k6y s GLU 118 N 0.47 2.69 -0.23 2.72 2.02 -0.04 -1.81 118.70 124.51 2k6y s GLU 118 Ca 0.22 -1.31 -0.01 0.00 0.02 0.00 0.00 54.97 53.90 2k6y s GLU 118 Cb -0.14 -2.44 0.03 0.00 0.10 0.00 0.00 34.13 31.67 2k6y s GLU 118 CO 0.08 0.13 -0.09 0.00 0.02 0.00 0.00 175.26 175.40 2k6y s ALA 119 N -2.30 2.62 0.00 5.21 0.00 -1.26 -3.87 121.76 122.17 2k6y s ALA 119 Ca 0.39 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.92 2k6y s ALA 119 Cb -0.06 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.48 2k6y s ALA 119 CO 0.26 -0.74 0.00 -2.13 0.00 0.00 0.00 175.76 173.14