#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6y n SER 2 N 0.00 0.00 -3.70 1.61 7.64 -1.26 -4.97 113.62 112.94 2k6y n SER 2 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 2k6y n SER 2 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 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 0.00 2.67 0.00 1.43 3.01 -1.26 -4.89 117.46 118.43 2k6y n PHE 3 Ca 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 57.45 55.89 2k6y n PHE 3 Cb 0.00 -1.22 0.00 0.00 -0.01 0.00 0.00 39.48 38.25 2k6y n PHE 3 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 2k6y n THR 4 N 0.22 0.00 -3.76 4.37 5.66 -1.26 -4.81 114.28 114.70 2k6y n THR 4 Ca 0.44 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.31 2k6y n THR 4 Cb 0.27 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.92 2k6y n THR 4 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2k6y s GLU 5 N -1.38 0.19 0.00 1.09 2.56 -1.26 -4.34 118.70 115.56 2k6y s GLU 5 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 54.97 55.39 2k6y s GLU 5 Cb 0.00 -0.06 0.00 0.00 2.00 0.00 0.00 34.13 36.07 2k6y s GLU 5 CO 0.00 -0.12 0.00 0.41 -0.56 0.00 0.00 175.26 174.99 2k6y n GLY 6 N 3.83 -0.81 3.51 -1.50 0.00 -1.26 -0.44 105.19 108.52 2k6y n GLY 6 Ca -0.22 -1.26 -0.16 0.00 0.00 0.00 0.00 46.02 44.38 2k6y n GLY 6 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2k6y s TRP 7 N -2.00 -0.61 0.02 1.61 -2.14 -0.46 -4.40 118.94 110.96 2k6y s TRP 7 Ca 0.00 0.97 0.03 0.00 2.66 0.00 0.00 56.10 59.76 2k6y s TRP 7 Cb 0.00 0.43 -0.04 0.00 -3.10 0.00 0.00 33.47 30.77 2k6y s TRP 7 CO 0.00 -0.61 -0.05 0.08 -2.66 0.00 0.00 176.95 173.71 2k6y s VAL 8 N -1.52 3.79 -0.19 -0.66 1.01 -0.16 -1.51 120.40 121.16 2k6y s VAL 8 Ca -0.08 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 2k6y s VAL 8 Cb -0.00 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 2k6y s VAL 8 CO 0.06 0.33 -0.08 -0.60 0.00 0.00 0.00 175.10 174.80 2k6y s ARG 9 N -1.65 3.34 0.95 2.72 3.00 -0.06 -0.69 118.95 126.56 2k6y s ARG 9 Ca 0.19 -0.66 -0.15 0.00 -1.00 0.00 0.00 55.73 54.11 2k6y s ARG 9 Cb -0.11 -2.86 0.17 0.00 0.00 0.00 0.00 34.95 32.15 2k6y s ARG 9 CO 0.10 -0.09 1.21 -0.59 0.00 0.00 0.00 175.30 175.94 2k6y s PHE 10 N 1.15 1.95 -0.12 5.12 -0.71 0.33 -3.51 117.98 122.20 2k6y s PHE 10 Ca 0.02 0.57 -0.32 0.00 -1.04 0.00 0.00 56.93 56.16 2k6y s PHE 10 Cb -0.14 -3.71 0.13 0.00 -1.21 0.00 0.00 43.02 38.09 2k6y s PHE 10 CO -0.02 -2.58 1.07 0.45 -1.34 0.00 0.00 175.22 172.80 2k6y s SER 11 N -4.46 -0.25 0.48 1.98 0.15 -1.26 -4.83 113.70 105.51 2k6y s SER 11 Ca 0.68 0.05 0.28 0.00 0.70 0.00 0.00 55.95 57.66 2k6y s SER 11 Cb -0.09 0.25 0.92 0.00 -1.71 0.00 0.00 66.02 65.39 2k6y s SER 11 CO 0.53 -0.39 1.82 1.55 1.20 0.00 0.00 173.24 177.95 2k6y h PRO 12 N 2.07 0.00 0.00 5.44 0.13 -1.89 -3.27 132.00 134.48 2k6y h PRO 12 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2k6y h PRO 12 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k6y h PRO 12 CO 0.27 0.08 0.00 0.41 -0.23 0.00 0.00 178.00 178.53 2k6y n GLY 13 N 0.41 1.81 0.13 1.56 0.00 -1.26 -4.49 105.19 103.36 2k6y n GLY 13 Ca 0.01 -2.02 0.14 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.58 0.73 -4.37 1.61 -0.04 -1.26 -5.01 135.00 125.07 2k6y n PRO 14 Ca 0.00 -0.26 -0.29 0.00 -0.04 0.00 0.00 63.50 62.91 2k6y n PRO 14 Cb 0.00 -1.49 -0.13 0.00 -0.04 0.00 0.00 33.50 31.84 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 -2.45 3.47 0.13 3.54 -0.87 -1.26 -0.75 114.94 116.74 2k6y s ASN 15 Ca 0.29 -0.70 -0.06 0.00 -1.57 0.00 0.00 52.86 50.83 2k6y s ASN 15 Cb 0.20 -0.31 0.02 0.00 -0.02 0.00 0.00 41.25 41.15 2k6y s ASN 15 CO 0.47 0.18 0.29 0.00 -2.57 0.00 0.00 177.10 175.47 2k6y n ALA 16 N 0.88 -0.68 -2.85 0.60 0.00 -0.86 -4.73 120.51 112.87 2k6y n ALA 16 Ca -0.17 -0.44 -0.10 0.00 0.00 0.00 0.00 53.44 52.73 2k6y n ALA 16 Cb 0.53 0.34 -0.11 0.00 0.00 0.00 0.00 19.45 20.21 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 -1.38 0.32 0.01 0.00 0.00 -1.23 -1.07 121.76 118.41 2k6y s ALA 17 Ca 0.06 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 2k6y s ALA 17 Cb -0.02 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 2k6y s ALA 17 CO 0.04 -0.13 0.06 0.00 0.00 0.00 0.00 175.76 175.73 2k6y s ALA 18 N -1.70 -0.12 0.03 0.00 0.00 -0.49 -0.88 121.76 118.60 2k6y s ALA 18 Ca -0.11 -0.34 -0.08 0.00 0.00 0.00 0.00 51.96 51.43 2k6y s ALA 18 Cb -0.08 0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.17 2k6y s ALA 18 CO -0.01 -0.19 0.15 0.71 0.00 0.00 0.00 175.76 176.42 2k6y s TYR 19 N -1.44 0.10 -0.25 0.00 2.02 -0.57 -1.79 117.35 115.42 2k6y s TYR 19 Ca -0.15 -0.32 -0.35 0.00 -0.37 0.00 0.00 57.07 55.87 2k6y s TYR 19 Cb -0.09 -0.07 0.16 0.00 -0.40 0.00 0.00 41.96 41.56 2k6y s TYR 19 CO 0.00 -0.38 1.31 -0.48 -1.57 0.00 0.00 175.55 174.43 2k6y s LEU 20 N -1.95 -0.07 0.16 -1.29 0.05 -1.26 -1.36 118.68 112.96 2k6y s LEU 20 Ca -0.07 0.02 -0.23 0.00 0.05 0.00 0.00 54.13 53.90 2k6y s LEU 20 Cb -0.02 1.19 -0.08 0.00 -2.05 0.00 0.00 46.19 45.23 2k6y s LEU 20 CO -0.03 -0.10 0.72 0.28 -0.55 0.00 0.00 176.35 176.67 2k6y s THR 21 N -1.91 4.48 -0.10 5.48 -1.32 0.41 -0.70 115.64 121.98 2k6y s THR 21 Ca 0.10 1.52 -0.17 0.00 -1.21 0.00 0.00 61.69 61.93 2k6y s THR 21 Cb -0.01 -4.03 -0.05 0.00 -1.51 0.00 0.00 72.50 66.90 2k6y s THR 21 CO -0.04 0.47 0.44 -0.22 -2.21 0.00 0.00 174.62 173.05 2k6y s LEU 22 N -1.31 4.31 -0.27 9.08 1.98 -0.32 -4.84 118.68 127.32 2k6y s LEU 22 Ca 0.36 0.80 -0.03 0.00 -2.89 0.00 0.00 54.13 52.37 2k6y s LEU 22 Cb -0.21 -2.63 0.10 0.00 0.66 0.00 0.00 46.19 44.11 2k6y s LEU 22 CO 0.24 0.08 0.18 -1.83 -1.89 0.00 0.00 176.35 173.12 2k6y s GLU 23 N 0.28 0.21 -0.40 1.98 -1.05 -1.26 -0.39 118.70 118.07 2k6y s GLU 23 Ca 0.24 -0.30 -0.18 0.00 -0.15 0.00 0.00 54.97 54.58 2k6y s GLU 23 Cb -0.15 -1.10 0.01 0.00 -0.44 0.00 0.00 34.13 32.45 2k6y s GLU 23 CO 0.10 -0.95 0.51 1.21 0.95 0.00 0.00 175.26 177.08 2k6y s ASN 24 N 2.20 6.26 0.00 0.83 2.47 -0.18 -4.95 114.94 121.58 2k6y s ASN 24 Ca 0.08 -0.35 0.27 0.00 0.42 0.00 0.00 52.86 53.28 2k6y s ASN 24 Cb -0.15 -2.26 0.88 0.00 -1.45 0.00 0.00 41.25 38.27 2k6y s ASN 24 CO -0.30 -0.58 1.67 -0.81 -3.72 0.00 0.00 177.10 173.36 2k6y n PRO 25 N 5.79 0.14 -1.78 0.43 -0.04 -1.26 -2.16 135.00 136.12 2k6y n PRO 25 Ca -0.05 -0.05 -0.30 0.00 -0.04 0.00 0.00 63.50 63.06 2k6y n PRO 25 Cb 0.48 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.61 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 -2.90 1.69 0.00 0.55 0.00 -1.26 -4.52 107.32 100.88 2k6y s GLY 26 Ca 0.15 -0.97 0.20 0.00 0.00 0.00 0.00 44.72 44.10 2k6y s GLY 26 CO 0.60 -0.27 1.13 1.22 0.00 0.00 0.00 173.10 175.78 2k6y n ASP 27 N -3.79 2.64 -4.60 1.64 9.92 -1.26 -1.74 116.55 119.37 2k6y n ASP 27 Ca 0.12 -1.82 -0.24 0.00 -0.53 0.00 0.00 54.79 52.33 2k6y n ASP 27 Cb 0.60 0.02 -0.08 0.00 -0.64 0.00 0.00 41.12 41.02 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 -1.71 2.98 0.59 0.64 0.05 -1.26 -4.81 118.68 115.17 2k6y s LEU 28 Ca 0.23 -0.85 -0.10 0.00 0.05 0.00 0.00 54.13 53.46 2k6y s LEU 28 Cb 0.17 -1.45 -0.04 0.00 -2.05 0.00 0.00 46.19 42.82 2k6y s LEU 28 CO 0.26 -0.07 0.99 -2.16 -0.55 0.00 0.00 176.35 174.83 2k6y s PRO 29 N -3.65 3.61 0.01 1.48 0.04 -1.26 -3.92 135.00 131.32 2k6y s PRO 29 Ca 0.32 0.68 0.02 0.00 0.04 0.00 0.00 61.00 62.06 2k6y s PRO 29 Cb -0.04 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 2k6y s PRO 29 CO 0.19 -0.50 0.01 -0.51 0.04 0.00 0.00 177.00 176.22 2k6y s LEU 30 N -5.05 3.53 -0.22 -3.56 1.43 0.04 -4.92 118.68 109.92 2k6y s LEU 30 Ca 0.54 -0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.61 2k6y s LEU 30 Cb -0.11 -2.06 0.06 0.00 0.03 0.00 0.00 46.19 44.11 2k6y s LEU 30 CO 0.51 0.26 -0.01 -0.60 0.23 0.00 0.00 176.35 176.75 2k6y s ARG 31 N -1.68 1.17 -0.26 1.70 3.52 -1.26 -0.26 118.95 121.88 2k6y s ARG 31 Ca 0.21 -0.78 -0.19 0.00 -0.13 0.00 0.00 55.73 54.84 2k6y s ARG 31 Cb -0.12 -2.37 -0.02 0.00 -1.56 0.00 0.00 34.95 30.88 2k6y s ARG 31 CO 0.12 -0.65 0.56 -1.17 -0.81 0.00 0.00 175.30 173.35 2k6y s LEU 32 N 1.59 4.06 0.00 -0.88 2.96 0.51 -0.94 118.68 125.97 2k6y s LEU 32 Ca -0.03 0.60 0.08 0.00 -0.22 0.00 0.00 54.13 54.56 2k6y s LEU 32 Cb -0.18 -2.74 -0.06 0.00 0.50 0.00 0.00 46.19 43.72 2k6y s LEU 32 CO -0.08 -0.31 0.40 1.33 -1.32 0.00 0.00 176.35 176.36 2k6y n VAL 33 N 5.15 0.00 -3.24 1.68 0.24 0.93 -0.80 118.33 122.30 2k6y n VAL 33 Ca -0.03 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 2k6y n VAL 33 Cb 0.49 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 2k6y n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k6y n GLY 34 N 1.06 -0.88 2.08 7.63 0.00 -1.15 -4.82 105.19 109.11 2k6y n GLY 34 Ca 0.02 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.46 4.61 0.00 -1.24 -1.66 120.51 118.85 2k6y n ALA 35 Ca 0.00 -1.11 -0.14 0.00 0.00 0.00 0.00 53.44 52.18 2k6y n ALA 35 Cb 0.00 0.90 -0.04 0.00 0.00 0.00 0.00 19.45 20.31 2k6y n ALA 35 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k6y s ARG 36 N -2.66 1.19 0.07 0.00 1.81 -0.72 -4.68 118.95 113.96 2k6y s ARG 36 Ca 0.21 -0.19 -0.24 0.00 -1.72 0.00 0.00 55.73 53.80 2k6y s ARG 36 Cb 0.00 0.55 0.06 0.00 -0.45 0.00 0.00 34.95 35.11 2k6y s ARG 36 CO 0.15 -0.47 0.56 -0.08 -0.68 0.00 0.00 175.30 174.79 2k6y s THR 37 N -2.76 0.02 0.17 0.02 -1.32 -1.26 -0.44 115.64 110.06 2k6y s THR 37 Ca -0.04 -0.15 -0.09 0.00 -1.21 0.00 0.00 61.69 60.21 2k6y s THR 37 Cb -0.01 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.99 2k6y s THR 37 CO -0.04 -0.08 1.56 1.55 -2.21 0.00 0.00 174.62 175.39 2k6y h PRO 38 N 2.56 0.96 0.00 7.08 0.13 -1.97 -3.35 132.00 137.41 2k6y h PRO 38 Ca -0.31 -0.42 -0.01 0.00 -0.87 0.00 0.00 66.00 64.39 2k6y h PRO 38 Cb 1.23 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k6y h PRO 38 CO 0.40 1.08 -0.26 -0.39 -0.23 0.00 0.00 178.00 178.60 2k6y h VAL 39 N 0.82 0.10 -1.58 1.56 -1.51 -1.90 -3.44 116.25 110.30 2k6y h VAL 39 Ca 0.10 -1.15 -0.42 0.00 -1.23 0.00 0.00 66.70 64.00 2k6y h VAL 39 Cb 0.81 1.96 0.02 0.00 -2.13 0.00 0.00 31.29 31.94 2k6y h VAL 39 CO 0.07 0.06 -0.26 0.00 -1.23 0.00 0.00 177.57 176.20 2k6y s ALA 40 N -3.21 4.43 0.00 5.19 0.00 -1.26 -2.93 121.76 124.00 2k6y s ALA 40 Ca 0.05 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.41 2k6y s ALA 40 Cb 0.06 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.51 2k6y s ALA 40 CO 0.70 -0.26 0.00 -1.91 0.00 0.00 0.00 175.76 174.29 2k6y n GLU 41 N -1.84 0.00 -1.55 0.00 0.00 -0.16 -4.30 120.64 112.79 2k6y n GLU 41 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.92 2k6y n GLU 41 Cb 0.59 -0.14 0.08 0.00 0.00 0.00 0.00 31.44 31.96 2k6y n GLU 41 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2k6y s ARG 42 N 0.00 2.36 -0.30 5.31 0.52 -1.04 -4.68 118.95 121.12 2k6y s ARG 42 Ca 0.00 0.76 -0.08 0.00 -0.52 0.00 0.00 55.73 55.89 2k6y s ARG 42 Cb 0.00 -1.94 0.18 0.00 0.52 0.00 0.00 34.95 33.71 2k6y s ARG 42 CO 0.00 -1.45 0.88 0.54 0.02 0.00 0.00 175.30 175.29 2k6y s VAL 43 N -3.11 -0.56 -0.10 3.52 0.11 -1.26 -1.46 120.40 117.54 2k6y s VAL 43 Ca 0.60 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.69 2k6y s VAL 43 Cb -0.14 -0.91 -0.00 0.00 -1.53 0.00 0.00 36.38 33.80 2k6y s VAL 43 CO 0.55 0.00 -0.23 -1.61 -3.33 0.00 0.00 175.10 170.48 2k6y s GLU 44 N 2.92 3.03 -0.11 1.54 8.01 -0.71 -3.64 118.70 129.74 2k6y s GLU 44 Ca 0.10 -0.86 -0.28 0.00 0.01 0.00 0.00 54.97 53.94 2k6y s GLU 44 Cb -0.11 -2.33 -0.02 0.00 -4.31 0.00 0.00 34.13 27.37 2k6y s GLU 44 CO -0.17 0.21 0.91 -1.17 0.01 0.00 0.00 175.26 175.06 2k6y s LEU 45 N 0.27 4.25 0.25 1.80 0.20 -1.26 -1.58 118.68 122.61 2k6y s LEU 45 Ca -0.16 1.40 0.09 0.00 0.69 0.00 0.00 54.13 56.16 2k6y s LEU 45 Cb -0.17 -3.40 -0.04 0.00 -0.43 0.00 0.00 46.19 42.14 2k6y s LEU 45 CO 0.08 -0.37 -0.03 -1.00 -0.29 0.00 0.00 176.35 174.74 2k6y s HIS 46 N 1.77 2.67 0.51 5.38 3.76 0.03 -0.87 115.29 128.54 2k6y s HIS 46 Ca 0.44 -0.22 0.05 0.00 -0.15 0.00 0.00 55.06 55.18 2k6y s HIS 46 Cb -0.18 -1.21 0.05 0.00 1.11 0.00 0.00 32.58 32.35 2k6y s HIS 46 CO 0.18 0.60 0.42 -0.85 -0.85 0.00 0.00 174.74 174.24 2k6y n GLU 47 N -0.68 0.73 -3.84 1.40 0.28 -0.08 -1.27 120.64 117.19 2k6y n GLU 47 Ca -0.07 -3.10 -0.25 0.00 -0.16 0.00 0.00 57.16 53.57 2k6y n GLU 47 Cb 0.58 0.26 -0.17 0.00 1.43 0.00 0.00 31.44 33.55 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 -2.47 0.72 0.29 3.84 2.01 -1.13 -3.43 115.64 115.47 2k6y s THR 48 Ca 0.32 -0.15 0.06 0.00 0.31 0.00 0.00 61.69 62.23 2k6y s THR 48 Cb -0.03 -0.84 -0.02 0.00 0.01 0.00 0.00 72.50 71.62 2k6y s THR 48 CO 0.20 0.27 0.34 0.72 -0.69 0.00 0.00 174.62 175.46 2k6y s PHE 49 N 1.83 3.15 0.08 4.92 -0.12 -0.23 -4.69 117.98 122.92 2k6y s PHE 49 Ca 0.04 -0.16 0.02 0.00 -0.05 0.00 0.00 56.93 56.78 2k6y s PHE 49 Cb -0.13 -1.70 -0.04 0.00 -0.63 0.00 0.00 43.02 40.52 2k6y s PHE 49 CO -0.07 0.27 0.12 -1.64 -0.05 0.00 0.00 175.22 173.86 2k6y s MET 50 N -4.00 3.06 -0.17 1.99 -1.94 -1.26 -2.13 119.30 114.85 2k6y s MET 50 Ca 0.38 -0.62 -0.28 0.00 -1.71 0.00 0.00 55.69 53.47 2k6y s MET 50 Cb -0.08 -2.82 0.07 0.00 2.01 0.00 0.00 34.83 34.01 2k6y s MET 50 CO 0.28 0.58 0.71 1.03 -0.01 0.00 0.00 175.02 177.60 2k6y s ARG 51 N -2.46 0.94 0.49 2.03 0.52 -0.56 -5.00 118.95 114.91 2k6y s ARG 51 Ca 0.31 0.64 -0.22 0.00 -0.52 0.00 0.00 55.73 55.94 2k6y s ARG 51 Cb -0.12 0.45 -0.08 0.00 0.52 0.00 0.00 34.95 35.71 2k6y s ARG 51 CO 0.24 -0.21 1.00 0.39 0.02 0.00 0.00 175.30 176.74 2k6y n GLU 52 N 1.83 1.23 0.00 3.54 4.71 -1.26 -0.07 120.64 130.62 2k6y n GLU 52 Ca -0.16 0.45 0.00 0.00 -0.01 0.00 0.00 57.16 57.44 2k6y n GLU 52 Cb 0.56 -2.11 0.00 0.00 -1.01 0.00 0.00 31.44 28.88 2k6y n GLU 52 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2k6y n VAL 53 N -0.93 0.00 0.85 2.62 0.31 -0.16 -4.83 118.33 116.18 2k6y n VAL 53 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 2k6y n VAL 53 Cb 0.42 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 2k6y n VAL 53 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k6y n GLU 54 N -0.99 0.85 0.00 5.55 1.02 -1.26 -4.76 120.64 121.05 2k6y n GLU 54 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2k6y n GLU 54 Cb 0.00 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 2k6y n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k6y n GLY 55 N 0.41 1.20 3.76 0.62 0.00 -1.26 -4.96 105.19 104.96 2k6y n GLY 55 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 3.51 0.00 1.61 1.02 -1.26 -4.74 119.74 119.88 2k6y s LYS 56 Ca 0.00 2.14 -0.20 0.00 0.02 0.00 0.00 55.97 57.93 2k6y s LYS 56 Cb 0.00 -2.44 -0.05 0.00 -0.52 0.00 0.00 37.83 34.82 2k6y s LYS 56 CO 0.00 -0.86 0.59 0.15 -0.92 0.00 0.00 175.35 174.31 2k6y s LYS 57 N -2.67 4.31 0.09 1.68 1.02 -1.26 -0.99 119.74 121.91 2k6y s LYS 57 Ca 0.66 0.73 0.08 0.00 0.02 0.00 0.00 55.97 57.47 2k6y s LYS 57 Cb -0.38 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 33.56 2k6y s LYS 57 CO 0.46 0.39 -0.20 0.08 -0.92 0.00 0.00 175.35 175.16 2k6y s VAL 58 N -0.25 2.71 -0.16 3.17 1.01 0.90 -4.94 120.40 122.84 2k6y s VAL 58 Ca 0.31 -1.41 -0.03 0.00 0.00 0.00 0.00 61.98 60.85 2k6y s VAL 58 Cb -0.18 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 2k6y s VAL 58 CO 0.17 0.20 -0.04 -0.04 0.00 0.00 0.00 175.10 175.39 2k6y s MET 59 N -1.81 3.64 0.11 2.72 -1.94 -1.26 -1.50 119.30 119.26 2k6y s MET 59 Ca 0.16 -0.54 -0.07 0.00 -1.71 0.00 0.00 55.69 53.53 2k6y s MET 59 Cb -0.10 -2.90 -0.01 0.00 2.01 0.00 0.00 34.83 33.82 2k6y s MET 59 CO 0.07 0.21 0.18 0.20 -0.01 0.00 0.00 175.02 175.68 2k6y s GLY 60 N 0.43 0.36 0.23 -0.03 0.00 -0.91 -5.00 107.32 102.41 2k6y s GLY 60 Ca -0.04 -0.86 0.07 0.00 0.00 0.00 0.00 44.72 43.89 2k6y s GLY 60 CO 0.03 -0.93 0.16 1.06 0.00 0.00 0.00 173.10 173.42 2k6y s MET 61 N -3.92 2.83 -0.12 2.90 -1.94 -1.26 -1.06 119.30 116.73 2k6y s MET 61 Ca 0.11 -1.06 -0.31 0.00 -1.71 0.00 0.00 55.69 52.73 2k6y s MET 61 Cb 0.05 -2.53 0.12 0.00 2.01 0.00 0.00 34.83 34.49 2k6y s MET 61 CO -0.06 0.41 1.02 -0.98 -0.01 0.00 0.00 175.02 175.40 2k6y s ARG 62 N -3.65 0.59 0.62 2.03 1.70 -1.22 -4.99 118.95 114.03 2k6y s ARG 62 Ca 0.32 -0.07 -0.16 0.00 -0.47 0.00 0.00 55.73 55.35 2k6y s ARG 62 Cb -0.08 0.28 -0.02 0.00 -0.57 0.00 0.00 34.95 34.56 2k6y s ARG 62 CO 0.24 -0.23 1.12 -1.25 -1.08 0.00 0.00 175.30 174.10 2k6y s PRO 63 N -2.06 2.96 0.20 3.89 0.05 -1.26 -0.90 135.00 137.88 2k6y s PRO 63 Ca 0.03 1.46 0.09 0.00 0.05 0.00 0.00 61.00 62.63 2k6y s PRO 63 Cb -0.01 -1.97 -0.04 0.00 0.05 0.00 0.00 34.50 32.53 2k6y s PRO 63 CO -0.04 -1.13 -0.17 0.14 0.05 0.00 0.00 177.00 175.84 2k6y s VAL 64 N -2.17 1.93 -0.17 -0.36 -7.23 -0.05 -4.83 120.40 107.52 2k6y s VAL 64 Ca 0.69 -2.11 0.29 0.00 -1.81 0.00 0.00 61.98 59.03 2k6y s VAL 64 Cb -0.22 -2.01 0.32 0.00 0.56 0.00 0.00 36.38 35.04 2k6y s VAL 64 CO 0.37 -0.42 1.86 1.55 -0.31 0.00 0.00 175.10 178.15 2k6y h PRO 65 N 2.83 0.00 0.00 4.82 0.13 -1.97 -3.44 132.00 134.37 2k6y h PRO 65 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2k6y h PRO 65 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2k6y h PRO 65 CO 0.56 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.30 2k6y n PHE 66 N -2.65 0.00 -4.50 1.56 1.16 -1.26 -4.85 117.46 106.92 2k6y n PHE 66 Ca 0.01 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.33 2k6y n PHE 66 Cb 0.25 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.02 2k6y n PHE 66 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2k6y s LEU 67 N 0.00 2.81 0.15 5.98 1.43 0.02 -5.01 118.68 124.05 2k6y s LEU 67 Ca 0.00 -1.17 -0.15 0.00 -1.03 0.00 0.00 54.13 51.78 2k6y s LEU 67 Cb 0.00 -1.07 0.03 0.00 0.03 0.00 0.00 46.19 45.17 2k6y s LEU 67 CO 0.00 -0.25 0.40 -1.83 0.23 0.00 0.00 176.35 174.90 2k6y s GLU 68 N -3.65 1.14 -0.14 1.70 -1.05 -1.26 -0.36 118.70 115.08 2k6y s GLU 68 Ca 0.33 -0.82 -0.11 0.00 -0.15 0.00 0.00 54.97 54.22 2k6y s GLU 68 Cb 0.03 0.46 0.04 0.00 -0.44 0.00 0.00 34.13 34.22 2k6y s GLU 68 CO 0.17 -0.45 0.36 0.08 0.95 0.00 0.00 175.26 176.37 2k6y s VAL 69 N -3.85 -0.01 1.02 1.83 1.01 0.65 -4.99 120.40 116.06 2k6y s VAL 69 Ca 0.06 0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.95 2k6y s VAL 69 Cb 0.01 -0.51 0.20 0.00 0.00 0.00 0.00 36.38 36.08 2k6y s VAL 69 CO -0.08 0.01 1.09 -2.16 0.00 0.00 0.00 175.10 173.97 2k6y s PRO 70 N 0.57 0.24 0.46 2.72 0.04 -1.26 -0.78 135.00 136.97 2k6y s PRO 70 Ca -0.03 0.47 -0.25 0.00 0.04 0.00 0.00 61.00 61.23 2k6y s PRO 70 Cb -0.05 -1.72 -0.08 0.00 0.04 0.00 0.00 34.50 32.69 2k6y s PRO 70 CO -0.03 -2.85 1.40 -0.35 0.04 0.00 0.00 177.00 175.21 2k6y n PRO 71 N -4.25 2.16 -0.71 0.56 -0.04 -1.25 -2.86 135.00 128.60 2k6y n PRO 71 Ca 0.05 0.77 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 2k6y n PRO 71 Cb 0.57 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 2k6y n PRO 71 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k6y n LYS 72 N -0.23 -0.18 -3.13 0.54 4.76 -0.71 -4.96 118.16 114.26 2k6y n LYS 72 Ca 0.06 0.04 -0.40 0.00 -2.87 0.00 0.00 58.31 55.14 2k6y n LYS 72 Cb 0.41 -3.91 -0.06 0.00 -1.84 0.00 0.00 35.03 29.63 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 2.14 -0.09 0.72 0.00 -1.07 -4.83 107.32 102.19 2k6y s GLY 73 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 44.72 44.46 2k6y s GLY 73 CO 0.00 1.25 0.09 1.09 0.00 0.00 0.00 173.10 175.52 2k6y s ARG 74 N 1.67 3.23 -0.12 2.90 1.04 -1.26 -1.01 118.95 125.41 2k6y s ARG 74 Ca 0.29 -0.27 -0.05 0.00 -1.04 0.00 0.00 55.73 54.66 2k6y s ARG 74 Cb -0.16 -3.01 0.06 0.00 -2.04 0.00 0.00 34.95 29.80 2k6y s ARG 74 CO 0.11 0.73 0.27 0.14 -0.04 0.00 0.00 175.30 176.52 2k6y s VAL 75 N -1.00 -0.23 0.01 4.99 -7.23 0.48 -4.99 120.40 112.42 2k6y s VAL 75 Ca 0.16 0.21 -0.27 0.00 -1.81 0.00 0.00 61.98 60.26 2k6y s VAL 75 Cb -0.12 -0.44 -0.04 0.00 0.56 0.00 0.00 36.38 36.34 2k6y s VAL 75 CO 0.05 0.09 0.84 -1.61 -0.31 0.00 0.00 175.10 174.16 2k6y s GLU 76 N 1.85 4.53 0.73 4.82 8.01 -1.26 -1.17 118.70 136.22 2k6y s GLU 76 Ca -0.04 1.18 -0.11 0.00 0.01 0.00 0.00 54.97 56.01 2k6y s GLU 76 Cb -0.11 -3.42 0.03 0.00 -4.31 0.00 0.00 34.13 26.33 2k6y s GLU 76 CO -0.09 0.11 1.08 -0.51 0.01 0.00 0.00 175.26 175.86 2k6y s LEU 77 N 0.50 3.09 -0.20 1.80 1.02 0.13 -4.89 118.68 120.12 2k6y s LEU 77 Ca 0.44 1.73 -0.28 0.00 0.02 0.00 0.00 54.13 56.04 2k6y s LEU 77 Cb -0.20 -4.51 0.12 0.00 0.02 0.00 0.00 46.19 41.61 2k6y s LEU 77 CO 0.24 -1.75 0.96 -1.59 0.02 0.00 0.00 176.35 174.24 2k6y s LYS 78 N -4.94 0.62 0.43 1.70 -2.85 0.36 -4.36 119.74 110.71 2k6y s LYS 78 Ca 0.60 0.39 0.22 0.00 -1.00 0.00 0.00 55.97 56.18 2k6y s LYS 78 Cb -0.16 0.30 0.97 0.00 -2.06 0.00 0.00 37.83 36.88 2k6y s LYS 78 CO 0.55 -0.14 1.86 -1.00 0.10 0.00 0.00 175.35 176.72 2k6y h PRO 79 N 3.40 0.00 -3.98 1.78 0.13 -1.95 -3.23 132.00 128.15 2k6y h PRO 79 Ca -0.24 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 64.14 2k6y h PRO 79 Cb 1.17 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.02 2k6y h PRO 79 CO 0.22 0.26 -0.16 0.20 -0.23 0.00 0.00 178.00 178.29 2k6y s GLY 80 N -4.28 2.35 0.00 1.56 0.00 -1.26 -4.93 107.32 100.75 2k6y s GLY 80 Ca -0.01 -2.92 0.00 0.00 0.00 0.00 0.00 44.72 41.79 2k6y s GLY 80 CO 0.65 1.19 0.00 0.61 0.00 0.00 0.00 173.10 175.55 2k6y n GLY 81 N 4.47 0.45 3.74 0.20 0.00 -1.22 -4.98 105.19 107.85 2k6y n GLY 81 Ca 0.01 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.96 3.84 0.18 1.61 1.51 -1.23 -2.85 117.35 118.44 2k6y s TYR 82 Ca 0.00 1.81 -0.24 0.00 -1.01 0.00 0.00 57.07 57.63 2k6y s TYR 82 Cb 0.00 -3.07 0.05 0.00 -0.11 0.00 0.00 41.96 38.84 2k6y s TYR 82 CO 0.00 0.16 0.82 -3.38 -1.11 0.00 0.00 175.55 172.04 2k6y s HIS 83 N -0.52 -0.23 -0.21 2.71 -3.43 -0.40 -0.48 115.29 112.74 2k6y s HIS 83 Ca 0.45 -0.10 -0.05 0.00 -0.80 0.00 0.00 55.06 54.57 2k6y s HIS 83 Cb -0.25 0.64 -0.02 0.00 -1.43 0.00 0.00 32.58 31.52 2k6y s HIS 83 CO 0.32 -0.93 -0.01 -0.06 -2.00 0.00 0.00 174.74 172.06 2k6y s PHE 84 N -3.54 3.01 -0.42 0.38 0.08 -0.74 -0.79 117.98 115.97 2k6y s PHE 84 Ca 0.09 -0.61 -0.24 0.00 0.12 0.00 0.00 56.93 56.30 2k6y s PHE 84 Cb -0.03 -2.10 0.02 0.00 -0.57 0.00 0.00 43.02 40.34 2k6y s PHE 84 CO 0.01 -0.35 0.85 -1.64 -0.10 0.00 0.00 175.22 173.99 2k6y s MET 85 N 1.20 3.60 0.20 0.44 -1.94 -0.62 -1.39 119.30 120.80 2k6y s MET 85 Ca 0.03 0.20 -0.29 0.00 -1.71 0.00 0.00 55.69 53.92 2k6y s MET 85 Cb -0.15 -3.88 -0.08 0.00 2.01 0.00 0.00 34.83 32.73 2k6y s MET 85 CO 0.01 -1.06 0.92 -0.51 -0.01 0.00 0.00 175.02 174.36 2k6y s LEU 86 N 3.43 4.61 0.09 -0.03 1.43 -0.23 -1.74 118.68 126.23 2k6y s LEU 86 Ca 0.34 1.86 0.04 0.00 -1.03 0.00 0.00 54.13 55.34 2k6y s LEU 86 Cb -0.12 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 2k6y s LEU 86 CO 0.22 0.12 -0.10 -0.76 0.23 0.00 0.00 176.35 176.06 2k6y s LEU 87 N -0.93 2.37 0.00 1.79 1.43 -0.53 -2.03 118.68 120.77 2k6y s LEU 87 Ca 0.41 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 2k6y s LEU 87 Cb -0.25 -0.31 0.00 0.00 0.03 0.00 0.00 46.19 45.66 2k6y s LEU 87 CO 0.31 -0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.26 2k6y n GLY 88 N 0.76 1.38 2.66 -3.19 0.00 0.07 -0.99 105.19 105.88 2k6y n GLY 88 Ca -0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 2k6y n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k6y n LEU 89 N 0.00 -7.38 0.03 0.99 4.77 -1.25 -4.52 117.00 109.63 2k6y n LEU 89 Ca 0.00 1.70 0.09 0.00 -0.03 0.00 0.00 56.01 57.77 2k6y n LEU 89 Cb 0.00 -3.31 0.37 0.00 -2.33 0.00 0.00 43.42 38.15 2k6y n LEU 89 CO 0.00 -3.46 0.77 2.29 -1.33 0.00 0.00 177.39 175.67 2k6y n LYS 90 N 1.01 0.04 -3.70 3.23 2.85 -1.15 -4.52 118.16 115.92 2k6y n LYS 90 Ca -0.14 0.26 -0.13 0.00 -1.05 0.00 0.00 58.31 57.25 2k6y n LYS 90 Cb 0.21 -1.57 -0.09 0.00 -0.65 0.00 0.00 35.03 32.92 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 -3.06 0.58 0.57 -1.58 1.81 -1.26 -5.07 118.95 110.95 2k6y s ARG 91 Ca 0.07 0.67 -0.16 0.00 -1.72 0.00 0.00 55.73 54.59 2k6y s ARG 91 Cb 0.10 0.28 -0.05 0.00 -0.45 0.00 0.00 34.95 34.84 2k6y s ARG 91 CO 0.32 -0.07 1.04 -1.25 -0.68 0.00 0.00 175.30 174.66 2k6y s PRO 92 N 0.23 3.46 -0.01 3.54 0.04 -1.26 -4.83 135.00 136.17 2k6y s PRO 92 Ca -0.00 1.18 -0.08 0.00 0.04 0.00 0.00 61.00 62.14 2k6y s PRO 92 Cb -0.03 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 2k6y s PRO 92 CO 0.01 -0.69 0.28 -0.51 0.04 0.00 0.00 177.00 176.13 2k6y s LEU 93 N -4.33 4.39 0.21 -3.56 2.01 -1.23 -5.02 118.68 111.15 2k6y s LEU 93 Ca 0.63 0.63 0.23 0.00 0.01 0.00 0.00 54.13 55.63 2k6y s LEU 93 Cb -0.15 -2.57 0.08 0.00 0.01 0.00 0.00 46.19 43.57 2k6y s LEU 93 CO 0.34 0.29 1.14 0.50 1.01 0.00 0.00 176.35 179.63 2k6y h LYS 94 N 4.27 0.00 0.00 1.70 3.11 -1.97 -3.45 116.57 120.23 2k6y h LYS 94 Ca -0.51 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.33 2k6y h LYS 94 Cb 1.21 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.44 2k6y h LYS 94 CO 0.64 0.00 0.00 0.00 -2.81 0.00 0.00 179.45 177.28 2k6y n ALA 95 N -2.11 -1.67 -2.41 5.00 0.00 -1.26 -5.01 120.51 113.05 2k6y n ALA 95 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.39 2k6y n ALA 95 Cb 0.53 -0.42 0.03 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.31 0.15 3.94 0.00 0.00 -1.26 -5.10 105.19 102.62 2k6y n GLY 96 Ca 0.00 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.20 2.36 0.30 1.61 0.41 -1.26 -5.02 118.70 112.89 2k6y s GLU 97 Ca 0.05 -1.77 0.06 0.00 -0.41 0.00 0.00 54.97 52.90 2k6y s GLU 97 Cb -0.01 -2.35 -0.02 0.00 -1.78 0.00 0.00 34.13 29.97 2k6y s GLU 97 CO 0.27 -0.58 0.42 -1.83 -0.49 0.00 0.00 175.26 173.05 2k6y s GLU 98 N -4.37 3.25 -0.09 1.61 -1.05 -1.26 -1.43 118.70 115.36 2k6y s GLU 98 Ca 0.46 -0.91 -0.01 0.00 -0.15 0.00 0.00 54.97 54.36 2k6y s GLU 98 Cb -0.04 -2.84 0.03 0.00 -0.44 0.00 0.00 34.13 30.83 2k6y s GLU 98 CO 0.28 0.21 -0.04 0.08 0.95 0.00 0.00 175.26 176.75 2k6y s VAL 99 N -2.10 0.70 0.38 1.83 1.01 0.11 -4.86 120.40 117.48 2k6y s VAL 99 Ca 0.40 -0.09 -0.24 0.00 0.00 0.00 0.00 61.98 62.06 2k6y s VAL 99 Cb -0.09 -0.79 -0.10 0.00 0.00 0.00 0.00 36.38 35.40 2k6y s VAL 99 CO 0.30 0.31 0.97 -0.70 0.00 0.00 0.00 175.10 175.98 2k6y s GLU 100 N 1.82 4.35 -0.19 2.72 -6.30 -1.26 -1.49 118.70 118.34 2k6y s GLU 100 Ca 0.05 1.28 -0.08 0.00 -2.50 0.00 0.00 54.97 53.71 2k6y s GLU 100 Cb -0.12 -2.49 0.08 0.00 0.00 0.00 0.00 34.13 31.60 2k6y s GLU 100 CO -0.07 0.06 0.43 -1.17 0.02 0.00 0.00 175.26 174.54 2k6y s LEU 101 N -2.64 -0.48 -0.37 2.70 1.98 -0.33 -4.03 118.68 115.51 2k6y s LEU 101 Ca 0.57 0.99 -0.25 0.00 -2.89 0.00 0.00 54.13 52.54 2k6y s LEU 101 Cb -0.15 1.41 0.01 0.00 0.66 0.00 0.00 46.19 48.12 2k6y s LEU 101 CO 0.20 -0.22 0.90 -1.81 -1.89 0.00 0.00 176.35 173.53 2k6y s ASP 102 N 2.17 6.64 -0.38 3.68 1.01 0.42 -0.44 116.67 129.77 2k6y s ASP 102 Ca -0.05 0.50 -0.28 0.00 0.71 0.00 0.00 52.55 53.43 2k6y s ASP 102 Cb -0.11 -2.45 0.02 0.00 1.01 0.00 0.00 42.92 41.40 2k6y s ASP 102 CO -0.13 -0.84 1.07 -0.76 0.21 0.00 0.00 175.17 174.71 2k6y s LEU 103 N 3.42 3.85 -0.17 1.23 1.43 -0.06 -1.76 118.68 126.62 2k6y s LEU 103 Ca 0.37 0.79 -0.20 0.00 -1.03 0.00 0.00 54.13 54.05 2k6y s LEU 103 Cb -0.12 -3.50 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 2k6y s LEU 103 CO 0.19 -0.99 0.57 -0.76 0.23 0.00 0.00 176.35 175.59 2k6y s LEU 104 N 3.87 4.19 0.33 1.79 1.43 -0.66 -2.22 118.68 127.40 2k6y s LEU 104 Ca 0.45 0.81 0.08 0.00 -1.03 0.00 0.00 54.13 54.44 2k6y s LEU 104 Cb -0.11 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 2k6y s LEU 104 CO 0.21 -0.18 0.16 -0.36 0.23 0.00 0.00 176.35 176.41 2k6y s PHE 105 N 1.47 2.77 -1.03 0.29 0.08 -0.88 -0.05 117.98 120.62 2k6y s PHE 105 Ca 0.28 -0.33 -0.09 0.00 0.12 0.00 0.00 56.93 56.90 2k6y s PHE 105 Cb -0.16 -1.60 -0.07 0.00 -0.57 0.00 0.00 43.02 40.62 2k6y s PHE 105 CO 0.11 0.35 2.22 0.00 -0.10 0.00 0.00 175.22 177.80 2k6y n ALA 106 N -1.16 4.98 0.00 5.36 0.00 -0.12 -4.65 120.51 124.92 2k6y n ALA 106 Ca -0.03 -2.53 0.00 0.00 0.00 0.00 0.00 53.44 50.87 2k6y n ALA 106 Cb 0.60 -3.18 0.00 0.00 0.00 0.00 0.00 19.45 16.87 2k6y n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k6y n GLY 107 N 3.87 0.64 1.49 0.00 0.00 -1.26 -4.96 105.19 104.98 2k6y n GLY 107 Ca 0.51 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 1.87 3.08 -0.02 0.00 -1.26 -4.73 105.19 104.13 2k6y n GLY 108 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 0.47 1.66 -0.05 1.61 3.01 -1.26 -5.12 119.74 120.06 2k6y s LYS 109 Ca 0.00 -0.51 -0.05 0.00 -1.01 0.00 0.00 55.97 54.40 2k6y s LYS 109 Cb 0.00 -1.42 0.01 0.00 -1.01 0.00 0.00 37.83 35.41 2k6y s LYS 109 CO 0.00 0.16 0.14 0.54 0.51 0.00 0.00 175.35 176.69 2k6y s VAL 110 N 0.25 0.00 -0.12 3.17 0.11 -1.26 -2.08 120.40 120.47 2k6y s VAL 110 Ca -0.07 -0.03 -0.04 0.00 -2.93 0.00 0.00 61.98 58.91 2k6y s VAL 110 Cb -0.12 -0.20 0.06 0.00 -1.53 0.00 0.00 36.38 34.58 2k6y s VAL 110 CO 0.03 -0.01 0.15 -0.76 -3.33 0.00 0.00 175.10 171.17 2k6y s LEU 111 N 0.02 0.01 0.13 2.54 1.43 -0.94 -4.96 118.68 116.91 2k6y s LEU 111 Ca -0.01 0.02 -0.18 0.00 -1.03 0.00 0.00 54.13 52.94 2k6y s LEU 111 Cb -0.01 0.16 -0.07 0.00 0.03 0.00 0.00 46.19 46.30 2k6y s LEU 111 CO 0.00 -0.28 0.60 -1.59 0.23 0.00 0.00 176.35 175.31 2k6y s LYS 112 N 2.26 4.16 0.33 1.70 -2.85 -1.26 -0.88 119.74 123.20 2k6y s LYS 112 Ca 0.04 0.71 0.10 0.00 -1.00 0.00 0.00 55.97 55.81 2k6y s LYS 112 Cb -0.14 -3.08 -0.06 0.00 -2.06 0.00 0.00 37.83 32.50 2k6y s LYS 112 CO -0.07 0.54 -0.09 0.14 0.10 0.00 0.00 175.35 175.96 2k6y s VAL 113 N -1.30 2.37 -0.06 1.79 -7.23 0.42 -4.96 120.40 111.43 2k6y s VAL 113 Ca 0.35 -2.20 0.05 0.00 -1.81 0.00 0.00 61.98 58.37 2k6y s VAL 113 Cb -0.18 -2.62 -0.01 0.00 0.56 0.00 0.00 36.38 34.14 2k6y s VAL 113 CO 0.20 -0.24 -0.21 0.54 -0.31 0.00 0.00 175.10 175.08 2k6y s VAL 114 N -2.57 1.75 -0.00 1.32 0.11 -1.26 -1.19 120.40 118.55 2k6y s VAL 114 Ca 0.32 -0.89 -0.02 0.00 -2.93 0.00 0.00 61.98 58.46 2k6y s VAL 114 Cb 0.01 -1.50 -0.00 0.00 -1.53 0.00 0.00 36.38 33.36 2k6y s VAL 114 CO 0.17 0.49 0.04 -0.76 -3.33 0.00 0.00 175.10 171.71 2k6y s LEU 115 N -0.00 1.90 0.56 2.54 1.43 -0.56 -4.89 118.68 119.66 2k6y s LEU 115 Ca -0.05 -0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 52.81 2k6y s LEU 115 Cb -0.13 0.25 -0.04 0.00 0.03 0.00 0.00 46.19 46.29 2k6y s LEU 115 CO 0.04 -0.18 0.92 -2.16 0.23 0.00 0.00 176.35 175.20 2k6y s PRO 116 N -0.73 3.58 -0.39 1.29 0.04 -1.26 0.07 135.00 137.60 2k6y s PRO 116 Ca -0.08 0.50 -0.19 0.00 0.04 0.00 0.00 61.00 61.27 2k6y s PRO 116 Cb -0.05 -2.22 0.01 0.00 0.04 0.00 0.00 34.50 32.28 2k6y s PRO 116 CO -0.00 -0.40 0.57 0.08 0.04 0.00 0.00 177.00 177.29 2k6y s VAL 117 N -2.97 4.94 0.34 -0.36 1.01 -0.51 -0.99 120.40 121.85 2k6y s VAL 117 Ca 0.52 0.24 -0.21 0.00 0.00 0.00 0.00 61.98 62.53 2k6y s VAL 117 Cb -0.11 -4.07 -0.10 0.00 0.00 0.00 0.00 36.38 32.10 2k6y s VAL 117 CO 0.50 -0.38 0.86 -0.70 0.00 0.00 0.00 175.10 175.37 2k6y s GLU 118 N 2.57 4.28 0.04 2.72 2.56 0.13 -4.06 118.70 126.94 2k6y s GLU 118 Ca 0.20 1.03 0.00 0.00 0.00 0.00 0.00 54.97 56.20 2k6y s GLU 118 Cb -0.15 -2.54 -0.00 0.00 2.00 0.00 0.00 34.13 33.44 2k6y s GLU 118 CO 0.15 0.18 0.05 0.00 -0.56 0.00 0.00 175.26 175.08 2k6y n ALA 119 N 0.01 -0.01 -0.23 6.30 0.00 -1.26 -0.52 120.51 124.82 2k6y n ALA 119 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2k6y n ALA 119 Cb 0.52 0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.12 2k6y n ALA 119 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39