#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6y h SER 2 N 0.00 0.00 -4.71 1.61 0.02 -2.10 -3.47 113.55 104.91 2k6y h SER 2 Ca 0.00 0.00 0.21 0.00 -0.84 0.00 0.00 61.79 61.16 2k6y h SER 2 Cb 0.00 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.38 2k6y h SER 2 CO 0.00 0.18 0.68 0.72 -1.14 0.00 0.00 176.83 177.27 2k6y s PHE 3 N -3.66 -0.19 0.00 3.45 -0.12 -1.26 -5.10 117.98 111.10 2k6y s PHE 3 Ca 0.01 0.07 0.00 0.00 -0.05 0.00 0.00 56.93 56.96 2k6y s PHE 3 Cb 0.10 0.54 0.00 0.00 -0.63 0.00 0.00 43.02 43.03 2k6y s PHE 3 CO 0.62 -0.39 0.00 0.25 -0.05 0.00 0.00 175.22 175.65 2k6y n THR 4 N -0.24 0.00 0.00 -4.49 -2.24 -1.26 -5.11 114.28 100.94 2k6y n THR 4 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2k6y n THR 4 Cb 0.60 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 2k6y n THR 4 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2k6y n GLU 5 N -0.79 1.08 -4.20 -0.78 2.13 -1.26 -4.80 120.64 112.03 2k6y n GLU 5 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 2k6y n GLU 5 Cb 0.10 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.71 2k6y n GLU 5 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2k6y s GLY 6 N 0.00 1.48 0.20 8.31 0.00 -1.26 -1.80 107.32 114.25 2k6y s GLY 6 Ca 0.00 -1.69 -0.17 0.00 0.00 0.00 0.00 44.72 42.86 2k6y s GLY 6 CO 0.00 -1.36 0.52 0.66 0.00 0.00 0.00 173.10 172.91 2k6y s TRP 7 N -4.07 -0.08 -0.14 1.90 -2.14 0.01 -4.13 118.94 110.28 2k6y s TRP 7 Ca 0.38 -0.26 0.00 0.00 2.66 0.00 0.00 56.10 58.88 2k6y s TRP 7 Cb 0.06 0.37 0.03 0.00 -3.10 0.00 0.00 33.47 30.83 2k6y s TRP 7 CO 0.13 -0.92 -0.11 0.08 -2.66 0.00 0.00 176.95 173.48 2k6y s VAL 8 N -3.88 1.35 -0.39 -0.66 1.01 -0.63 -2.32 120.40 114.88 2k6y s VAL 8 Ca 0.10 -0.55 -0.28 0.00 0.00 0.00 0.00 61.98 61.25 2k6y s VAL 8 Cb -0.01 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 35.06 2k6y s VAL 8 CO -0.02 0.37 1.07 0.00 0.00 0.00 0.00 175.10 176.52 2k6y s ARG 9 N 1.57 3.88 0.24 2.72 1.04 -1.19 -1.07 118.95 126.14 2k6y s ARG 9 Ca 0.04 0.77 -0.30 0.00 -1.04 0.00 0.00 55.73 55.20 2k6y s ARG 9 Cb -0.13 -3.82 -0.10 0.00 -2.04 0.00 0.00 34.95 28.86 2k6y s ARG 9 CO -0.09 -1.10 1.44 0.12 -0.04 0.00 0.00 175.30 175.62 2k6y s PHE 10 N 3.93 3.03 0.19 5.89 5.36 0.39 -4.48 117.98 132.29 2k6y s PHE 10 Ca 0.45 1.01 -0.16 0.00 -0.96 0.00 0.00 56.93 57.27 2k6y s PHE 10 Cb -0.10 -3.82 0.02 0.00 -0.34 0.00 0.00 43.02 38.78 2k6y s PHE 10 CO 0.22 -2.67 0.47 -1.12 -1.46 0.00 0.00 175.22 170.66 2k6y s SER 11 N 0.42 -0.20 0.03 6.13 0.01 -1.26 -2.03 113.70 116.81 2k6y s SER 11 Ca 0.60 -0.55 0.18 0.00 1.31 0.00 0.00 55.95 57.49 2k6y s SER 11 Cb -0.42 0.55 0.75 0.00 0.21 0.00 0.00 66.02 67.11 2k6y s SER 11 CO 0.42 -1.02 1.57 -0.81 0.41 0.00 0.00 173.24 173.81 2k6y n PRO 12 N -0.31 0.03 0.00 12.44 -0.04 -1.26 -4.98 135.00 140.87 2k6y n PRO 12 Ca -0.10 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2k6y n PRO 12 Cb 0.63 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.24 -1.67 0.00 0.55 0.00 -1.26 -4.88 105.19 98.16 2k6y n GLY 13 Ca 0.04 -1.66 0.08 0.00 0.00 0.00 0.00 46.02 44.48 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 0.00 0.19 -4.14 1.61 -0.04 -1.26 -4.95 135.00 126.42 2k6y n PRO 14 Ca 0.00 0.14 -0.10 0.00 -0.04 0.00 0.00 63.50 63.50 2k6y n PRO 14 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 2k6y n PRO 14 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k6y s ASN 15 N -2.66 0.94 0.00 3.54 2.20 -1.26 -1.60 114.94 116.10 2k6y s ASN 15 Ca 0.15 -0.95 0.00 0.00 -0.94 0.00 0.00 52.86 51.12 2k6y s ASN 15 Cb 0.11 0.11 0.00 0.00 -2.00 0.00 0.00 41.25 39.48 2k6y s ASN 15 CO 0.27 -0.47 0.00 0.00 -2.94 0.00 0.00 177.10 173.96 2k6y n ALA 16 N 0.17 0.00 -3.29 3.54 0.00 -0.25 -4.93 120.51 115.76 2k6y n ALA 16 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.20 2k6y n ALA 16 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.02 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 -1.06 -1.07 0.00 0.00 0.00 -1.26 -0.90 121.76 117.48 2k6y s ALA 17 Ca 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 51.96 51.82 2k6y s ALA 17 Cb 0.00 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.95 2k6y s ALA 17 CO 0.00 -0.77 0.16 0.00 0.00 0.00 0.00 175.76 175.14 2k6y s ALA 18 N -3.84 -0.37 -0.11 0.00 0.00 -0.42 -3.16 121.76 113.87 2k6y s ALA 18 Ca 0.06 -0.11 -0.07 0.00 0.00 0.00 0.00 51.96 51.84 2k6y s ALA 18 Cb -0.01 0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.28 2k6y s ALA 18 CO -0.06 -0.23 0.27 0.71 0.00 0.00 0.00 175.76 176.45 2k6y s TYR 19 N -1.48 -0.34 -0.27 0.00 2.02 -0.98 -1.63 117.35 114.67 2k6y s TYR 19 Ca -0.14 0.80 -0.23 0.00 -0.37 0.00 0.00 57.07 57.13 2k6y s TYR 19 Cb -0.07 0.09 0.08 0.00 -0.40 0.00 0.00 41.96 41.67 2k6y s TYR 19 CO 0.01 -0.20 0.77 -0.48 -1.57 0.00 0.00 175.55 174.08 2k6y s LEU 20 N 0.79 -0.73 0.25 -1.29 2.34 0.01 -0.81 118.68 119.24 2k6y s LEU 20 Ca -0.05 1.35 -0.30 0.00 0.06 0.00 0.00 54.13 55.19 2k6y s LEU 20 Cb -0.06 2.34 -0.10 0.00 -0.56 0.00 0.00 46.19 47.81 2k6y s LEU 20 CO -0.05 -0.23 1.37 -0.89 -1.06 0.00 0.00 176.35 175.49 2k6y s THR 21 N 0.62 2.83 0.16 5.48 2.01 -0.74 -0.39 115.64 125.61 2k6y s THR 21 Ca -0.02 0.72 0.09 0.00 0.31 0.00 0.00 61.69 62.80 2k6y s THR 21 Cb -0.05 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 2k6y s THR 21 CO -0.05 0.13 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.58 2k6y s LEU 22 N -0.65 2.40 0.04 4.42 0.20 0.01 -4.77 118.68 120.33 2k6y s LEU 22 Ca 0.56 -0.82 0.02 0.00 0.69 0.00 0.00 54.13 54.58 2k6y s LEU 22 Cb -0.40 -0.96 -0.02 0.00 -0.43 0.00 0.00 46.19 44.38 2k6y s LEU 22 CO 0.44 0.04 -0.07 -1.83 -0.29 0.00 0.00 176.35 174.64 2k6y s GLU 23 N -2.54 0.49 -0.60 1.98 -1.05 -1.26 -0.96 118.70 114.75 2k6y s GLU 23 Ca 0.15 -0.70 -0.09 0.00 -0.15 0.00 0.00 54.97 54.18 2k6y s GLU 23 Cb -0.07 -0.23 0.15 0.00 -0.44 0.00 0.00 34.13 33.54 2k6y s GLU 23 CO 0.07 0.04 0.48 1.21 0.95 0.00 0.00 175.26 178.01 2k6y s ASN 24 N -1.49 5.87 0.00 0.83 3.84 -0.13 -4.93 114.94 118.93 2k6y s ASN 24 Ca -0.10 -2.33 0.26 0.00 0.21 0.00 0.00 52.86 50.90 2k6y s ASN 24 Cb -0.10 -2.03 1.35 0.00 -0.55 0.00 0.00 41.25 39.92 2k6y s ASN 24 CO 0.00 -0.59 1.89 -0.81 -2.79 0.00 0.00 177.10 174.80 2k6y n PRO 25 N 4.35 0.42 -1.62 0.43 -0.04 -1.26 -0.48 135.00 136.80 2k6y n PRO 25 Ca 0.01 0.04 -0.31 0.00 -0.04 0.00 0.00 63.50 63.20 2k6y n PRO 25 Cb 0.41 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.44 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 -2.51 1.65 0.20 0.55 0.00 -1.26 -4.83 107.32 101.12 2k6y s GLY 26 Ca 0.26 -0.08 0.05 0.00 0.00 0.00 0.00 44.72 44.96 2k6y s GLY 26 CO 0.39 0.28 1.46 1.29 0.00 0.00 0.00 173.10 176.52 2k6y h ASP 27 N -0.82 0.19 -2.11 1.64 2.03 -1.97 -3.34 116.42 112.05 2k6y h ASP 27 Ca -0.45 -0.14 -0.45 0.00 -0.73 0.00 0.00 57.03 55.26 2k6y h ASP 27 Cb 1.23 -0.06 0.01 0.00 -0.83 0.00 0.00 39.33 39.69 2k6y h ASP 27 CO 0.59 0.88 -0.29 -1.48 -1.03 0.00 0.00 179.24 177.90 2k6y s LEU 28 N -7.54 3.95 0.45 0.15 0.05 -1.26 -4.72 118.68 109.77 2k6y s LEU 28 Ca -0.03 -0.02 -0.17 0.00 0.05 0.00 0.00 54.13 53.97 2k6y s LEU 28 Cb 0.11 -2.88 -0.09 0.00 -2.05 0.00 0.00 46.19 41.28 2k6y s LEU 28 CO 0.81 -0.43 0.91 -2.16 -0.55 0.00 0.00 176.35 174.93 2k6y s PRO 29 N -4.24 4.02 -0.26 1.48 0.04 -1.26 -4.21 135.00 130.57 2k6y s PRO 29 Ca 0.44 0.91 -0.04 0.00 0.04 0.00 0.00 61.00 62.34 2k6y s PRO 29 Cb -0.10 -2.22 0.01 0.00 0.04 0.00 0.00 34.50 32.24 2k6y s PRO 29 CO 0.32 -0.11 0.01 -0.51 0.04 0.00 0.00 177.00 176.75 2k6y s LEU 30 N -3.63 3.44 -0.45 -3.56 1.02 -0.16 -4.98 118.68 110.37 2k6y s LEU 30 Ca 0.58 -0.70 -0.16 0.00 0.02 0.00 0.00 54.13 53.88 2k6y s LEU 30 Cb -0.10 -1.78 0.05 0.00 0.02 0.00 0.00 46.19 44.38 2k6y s LEU 30 CO 0.24 -0.14 0.37 -0.60 0.02 0.00 0.00 176.35 176.24 2k6y s ARG 31 N 1.44 2.99 -0.28 1.70 3.52 -1.26 -0.16 118.95 126.89 2k6y s ARG 31 Ca 0.02 -1.18 -0.15 0.00 -0.13 0.00 0.00 55.73 54.29 2k6y s ARG 31 Cb -0.16 -4.07 -0.03 0.00 -1.56 0.00 0.00 34.95 29.13 2k6y s ARG 31 CO -0.01 -0.92 0.39 -1.17 -0.81 0.00 0.00 175.30 172.78 2k6y s LEU 32 N 1.72 4.09 -0.00 -0.88 2.96 -0.39 -1.26 118.68 124.92 2k6y s LEU 32 Ca 0.05 0.23 0.11 0.00 -0.22 0.00 0.00 54.13 54.31 2k6y s LEU 32 Cb -0.22 -2.44 -0.14 0.00 0.50 0.00 0.00 46.19 43.89 2k6y s LEU 32 CO 0.08 -0.22 0.42 1.33 -1.32 0.00 0.00 176.35 176.64 2k6y n VAL 33 N 5.15 0.00 -3.08 1.68 0.24 0.88 -0.62 118.33 122.58 2k6y n VAL 33 Ca -0.08 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 2k6y n VAL 33 Cb 0.50 0.77 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 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 1.43 -0.74 0.00 7.63 0.00 -1.11 -4.69 105.19 107.71 2k6y n GLY 34 Ca 0.01 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 -3.41 4.61 0.00 -1.26 -0.97 120.51 119.48 2k6y n ALA 35 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2k6y n ALA 35 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.39 1.30 0.09 0.00 3.52 -0.34 -4.80 118.95 117.34 2k6y s ARG 36 Ca 0.00 -0.56 -0.21 0.00 -0.13 0.00 0.00 55.73 54.84 2k6y s ARG 36 Cb 0.00 0.58 0.05 0.00 -1.56 0.00 0.00 34.95 34.02 2k6y s ARG 36 CO 0.00 -0.57 0.50 -0.08 -0.81 0.00 0.00 175.30 174.34 2k6y s THR 37 N -3.78 0.04 -0.40 4.11 -1.32 -1.26 -0.36 115.64 112.67 2k6y s THR 37 Ca 0.02 -0.29 0.26 0.00 -1.21 0.00 0.00 61.69 60.48 2k6y s THR 37 Cb -0.01 -1.03 0.33 0.00 -1.51 0.00 0.00 72.50 70.28 2k6y s THR 37 CO -0.11 -0.16 1.75 1.55 -2.21 0.00 0.00 174.62 175.44 2k6y h PRO 38 N 2.55 0.00 0.00 7.08 0.13 -2.00 -3.36 132.00 136.40 2k6y h PRO 38 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2k6y h PRO 38 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k6y h PRO 38 CO 0.42 0.00 -1.67 1.33 -0.23 0.00 0.00 178.00 177.85 2k6y n VAL 39 N -2.77 0.08 -4.14 1.56 0.24 -1.26 -4.59 118.33 107.46 2k6y n VAL 39 Ca 0.03 -0.42 -0.28 0.00 -2.04 0.00 0.00 64.34 61.64 2k6y n VAL 39 Cb 0.42 0.11 -0.07 0.00 -1.47 0.00 0.00 33.84 32.83 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 -3.40 3.34 0.00 2.33 0.00 -1.26 -2.32 121.76 120.45 2k6y s ALA 40 Ca -0.04 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.70 2k6y s ALA 40 Cb 0.14 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 22.08 2k6y s ALA 40 CO 0.88 0.58 0.00 -1.91 0.00 0.00 0.00 175.76 175.31 2k6y n GLU 41 N 0.10 0.00 -2.74 0.00 4.07 0.10 -4.31 120.64 117.86 2k6y n GLU 41 Ca -0.10 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.62 2k6y n GLU 41 Cb 0.54 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.86 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 0.01 4.72 -0.06 5.31 3.52 -0.32 -4.95 118.95 127.18 2k6y s ARG 42 Ca 0.00 1.45 -0.03 0.00 -0.13 0.00 0.00 55.73 57.02 2k6y s ARG 42 Cb 0.00 -3.07 0.03 0.00 -1.56 0.00 0.00 34.95 30.35 2k6y s ARG 42 CO 0.00 0.39 0.13 0.54 -0.81 0.00 0.00 175.30 175.55 2k6y s VAL 43 N -1.36 -0.05 -0.08 7.11 0.11 -1.26 -0.75 120.40 124.13 2k6y s VAL 43 Ca 0.45 0.17 -0.05 0.00 -2.93 0.00 0.00 61.98 59.62 2k6y s VAL 43 Cb -0.23 -0.22 0.04 0.00 -1.53 0.00 0.00 36.38 34.44 2k6y s VAL 43 CO 0.29 0.07 0.19 -1.61 -3.33 0.00 0.00 175.10 170.71 2k6y s GLU 44 N 1.05 0.16 -0.12 1.54 2.02 -0.64 -4.71 118.70 118.00 2k6y s GLU 44 Ca -0.08 0.41 -0.29 0.00 0.02 0.00 0.00 54.97 55.02 2k6y s GLU 44 Cb -0.11 -0.10 -0.01 0.00 0.10 0.00 0.00 34.13 34.02 2k6y s GLU 44 CO -0.05 -0.13 1.05 -1.17 0.02 0.00 0.00 175.26 174.98 2k6y s LEU 45 N 0.97 4.22 0.22 1.80 0.20 -1.26 -1.14 118.68 123.69 2k6y s LEU 45 Ca -0.07 1.55 0.09 0.00 0.69 0.00 0.00 54.13 56.39 2k6y s LEU 45 Cb -0.09 -3.55 -0.04 0.00 -0.43 0.00 0.00 46.19 42.08 2k6y s LEU 45 CO -0.06 -0.52 -0.02 -1.00 -0.29 0.00 0.00 176.35 174.46 2k6y s HIS 46 N 2.31 2.73 0.05 5.38 3.76 0.05 -1.03 115.29 128.54 2k6y s HIS 46 Ca 0.49 -0.20 0.01 0.00 -0.15 0.00 0.00 55.06 55.21 2k6y s HIS 46 Cb -0.19 -1.27 0.01 0.00 1.11 0.00 0.00 32.58 32.24 2k6y s HIS 46 CO 0.16 0.56 0.06 -0.85 -0.85 0.00 0.00 174.74 173.82 2k6y n GLU 47 N -0.45 1.12 -3.33 1.40 0.28 -0.19 -1.25 120.64 118.23 2k6y n GLU 47 Ca -0.08 -0.28 -0.18 0.00 -0.16 0.00 0.00 57.16 56.45 2k6y n GLU 47 Cb 0.57 -0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.36 2k6y n GLU 47 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2k6y s THR 48 N 0.37 -0.27 0.59 3.84 2.01 0.23 -3.56 115.64 118.85 2k6y s THR 48 Ca 0.04 -1.25 -0.14 0.00 0.31 0.00 0.00 61.69 60.65 2k6y s THR 48 Cb -0.00 -0.72 -0.05 0.00 0.01 0.00 0.00 72.50 71.74 2k6y s THR 48 CO 0.03 -0.65 1.02 0.72 -0.69 0.00 0.00 174.62 175.05 2k6y s PHE 49 N 1.17 3.40 -0.16 4.92 -0.12 0.11 -4.58 117.98 122.73 2k6y s PHE 49 Ca 0.20 1.40 -0.04 0.00 -0.05 0.00 0.00 56.93 58.44 2k6y s PHE 49 Cb -0.12 -2.81 -0.03 0.00 -0.63 0.00 0.00 43.02 39.42 2k6y s PHE 49 CO -0.04 -0.71 -0.01 -1.64 -0.05 0.00 0.00 175.22 172.76 2k6y s MET 50 N -4.60 3.69 -0.01 1.99 -1.94 -1.26 -1.29 119.30 115.88 2k6y s MET 50 Ca 0.58 -0.47 -0.11 0.00 -1.71 0.00 0.00 55.69 53.98 2k6y s MET 50 Cb -0.12 -2.97 0.01 0.00 2.01 0.00 0.00 34.83 33.76 2k6y s MET 50 CO 0.43 0.29 0.22 1.03 -0.01 0.00 0.00 175.02 176.98 2k6y s ARG 51 N 0.26 0.55 0.47 2.03 0.52 -0.89 -5.01 118.95 116.89 2k6y s ARG 51 Ca -0.01 -0.27 -0.23 0.00 -0.52 0.00 0.00 55.73 54.69 2k6y s ARG 51 Cb -0.14 0.24 -0.07 0.00 0.52 0.00 0.00 34.95 35.50 2k6y s ARG 51 CO 0.02 -0.14 1.24 -1.21 0.02 0.00 0.00 175.30 175.23 2k6y s GLU 52 N -1.28 3.67 0.00 3.54 8.01 -1.26 -0.56 118.70 130.83 2k6y s GLU 52 Ca -0.13 1.96 0.00 0.00 0.01 0.00 0.00 54.97 56.80 2k6y s GLU 52 Cb -0.06 -2.45 0.00 0.00 -4.31 0.00 0.00 34.13 27.30 2k6y s GLU 52 CO 0.03 -0.68 0.00 0.28 0.01 0.00 0.00 175.26 174.90 2k6y n VAL 53 N -0.46 0.00 -0.49 2.63 0.31 0.44 -4.90 118.33 115.86 2k6y n VAL 53 Ca 0.07 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.39 2k6y n VAL 53 Cb 0.46 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.37 2k6y n VAL 53 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2k6y n GLU 54 N 0.00 0.98 0.00 5.55 2.13 -1.26 -4.63 120.64 123.41 2k6y n GLU 54 Ca 0.00 -0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.71 2k6y n GLU 54 Cb 0.00 -1.18 0.00 0.00 0.27 0.00 0.00 31.44 30.53 2k6y n GLU 54 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k6y n GLY 55 N 1.69 1.19 3.89 8.31 0.00 -1.26 -4.96 105.19 114.06 2k6y n GLY 55 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 3.21 0.15 1.61 1.02 -1.26 -5.00 119.74 119.47 2k6y s LYS 56 Ca 0.00 -0.74 -0.13 0.00 0.02 0.00 0.00 55.97 55.11 2k6y s LYS 56 Cb 0.00 -2.81 -0.07 0.00 -0.52 0.00 0.00 37.83 34.43 2k6y s LYS 56 CO 0.00 0.49 0.54 -1.59 -0.92 0.00 0.00 175.35 173.87 2k6y s LYS 57 N -3.30 3.94 0.01 1.68 -2.85 -1.26 -0.42 119.74 117.54 2k6y s LYS 57 Ca 0.33 0.44 -0.02 0.00 -1.00 0.00 0.00 55.97 55.72 2k6y s LYS 57 Cb -0.10 -2.90 -0.01 0.00 -2.06 0.00 0.00 37.83 32.76 2k6y s LYS 57 CO 0.26 0.46 0.02 0.08 0.10 0.00 0.00 175.35 176.28 2k6y s VAL 58 N -1.51 0.08 -0.20 1.79 1.01 0.28 -4.94 120.40 116.91 2k6y s VAL 58 Ca 0.39 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.47 2k6y s VAL 58 Cb -0.14 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 2k6y s VAL 58 CO 0.19 -0.38 0.60 -0.04 0.00 0.00 0.00 175.10 175.47 2k6y s MET 59 N -1.17 4.20 -0.02 2.72 -1.94 -1.26 -2.09 119.30 119.74 2k6y s MET 59 Ca -0.13 0.56 0.05 0.00 -1.71 0.00 0.00 55.69 54.46 2k6y s MET 59 Cb -0.08 -3.58 -0.01 0.00 2.01 0.00 0.00 34.83 33.18 2k6y s MET 59 CO -0.00 -0.22 -0.17 0.20 -0.01 0.00 0.00 175.02 174.82 2k6y s GLY 60 N 1.21 0.85 0.37 -0.03 0.00 -0.41 -4.97 107.32 104.32 2k6y s GLY 60 Ca 0.27 -0.70 -0.05 0.00 0.00 0.00 0.00 44.72 44.24 2k6y s GLY 60 CO 0.10 -0.50 0.65 1.06 0.00 0.00 0.00 173.10 174.41 2k6y s MET 61 N -0.23 3.63 -0.09 2.90 -1.94 -1.26 -0.72 119.30 121.58 2k6y s MET 61 Ca 0.03 0.11 -0.30 0.00 -1.71 0.00 0.00 55.69 53.82 2k6y s MET 61 Cb -0.08 -2.53 0.11 0.00 2.01 0.00 0.00 34.83 34.34 2k6y s MET 61 CO 0.00 0.05 0.93 -0.98 -0.01 0.00 0.00 175.02 175.01 2k6y s ARG 62 N -3.99 0.72 0.72 2.03 1.70 -1.23 -4.98 118.95 113.92 2k6y s ARG 62 Ca 0.46 -0.01 -0.13 0.00 -0.47 0.00 0.00 55.73 55.58 2k6y s ARG 62 Cb -0.10 0.34 0.03 0.00 -0.57 0.00 0.00 34.95 34.64 2k6y s ARG 62 CO 0.34 -0.26 1.12 -1.25 -1.08 0.00 0.00 175.30 174.17 2k6y s PRO 63 N -1.85 2.43 0.08 3.89 0.05 -1.26 -1.02 135.00 137.32 2k6y s PRO 63 Ca -0.00 1.36 0.02 0.00 0.05 0.00 0.00 61.00 62.43 2k6y s PRO 63 Cb -0.01 -1.91 -0.04 0.00 0.05 0.00 0.00 34.50 32.60 2k6y s PRO 63 CO -0.01 -1.53 -0.08 0.14 0.05 0.00 0.00 177.00 175.57 2k6y s VAL 64 N -2.52 0.73 0.07 -0.36 -7.23 -0.20 -4.81 120.40 106.08 2k6y s VAL 64 Ca 0.66 -1.64 0.33 0.00 -1.81 0.00 0.00 61.98 59.52 2k6y s VAL 64 Cb -0.20 -1.32 0.39 0.00 0.56 0.00 0.00 36.38 35.80 2k6y s VAL 64 CO 0.48 -0.66 1.96 1.55 -0.31 0.00 0.00 175.10 178.12 2k6y h PRO 65 N 3.52 0.00 -1.54 4.82 0.13 -1.93 -3.44 132.00 133.56 2k6y h PRO 65 Ca -0.36 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 65.06 2k6y h PRO 65 Cb 1.18 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 2k6y h PRO 65 CO 0.55 0.00 0.79 -0.59 -0.23 0.00 0.00 178.00 178.53 2k6y s PHE 66 N -3.64 -0.08 0.52 1.56 -0.12 -1.26 -4.71 117.98 110.24 2k6y s PHE 66 Ca 0.02 -0.02 0.03 0.00 -0.05 0.00 0.00 56.93 56.90 2k6y s PHE 66 Cb 0.09 0.54 0.00 0.00 -0.63 0.00 0.00 43.02 43.02 2k6y s PHE 66 CO 0.55 -0.30 0.16 -0.51 -0.05 0.00 0.00 175.22 175.07 2k6y s LEU 67 N -2.74 2.49 0.11 -1.99 1.43 0.21 -5.01 118.68 113.17 2k6y s LEU 67 Ca 0.12 -1.47 -0.13 0.00 -1.03 0.00 0.00 54.13 51.62 2k6y s LEU 67 Cb 0.03 -0.94 0.02 0.00 0.03 0.00 0.00 46.19 45.33 2k6y s LEU 67 CO -0.04 -0.93 0.32 -1.83 0.23 0.00 0.00 176.35 174.10 2k6y s GLU 68 N -4.03 0.97 -0.07 1.70 -1.05 -1.26 -1.27 118.70 113.70 2k6y s GLU 68 Ca 0.18 -0.78 0.01 0.00 -0.15 0.00 0.00 54.97 54.23 2k6y s GLU 68 Cb 0.00 0.42 0.02 0.00 -0.44 0.00 0.00 34.13 34.13 2k6y s GLU 68 CO 0.11 -0.35 -0.06 0.08 0.95 0.00 0.00 175.26 175.98 2k6y s VAL 69 N -3.73 0.73 0.80 1.83 1.01 0.77 -4.96 120.40 116.86 2k6y s VAL 69 Ca 0.03 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 2k6y s VAL 69 Cb 0.03 -0.75 0.07 0.00 0.00 0.00 0.00 36.38 35.73 2k6y s VAL 69 CO -0.11 0.29 1.09 -2.16 0.00 0.00 0.00 175.10 174.20 2k6y s PRO 70 N 1.16 2.04 0.21 2.72 0.04 -1.26 -0.99 135.00 138.92 2k6y s PRO 70 Ca -0.07 0.93 -0.31 0.00 0.04 0.00 0.00 61.00 61.59 2k6y s PRO 70 Cb -0.14 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 2k6y s PRO 70 CO -0.01 -1.72 1.56 -1.25 0.04 0.00 0.00 177.00 175.62 2k6y s PRO 71 N -4.98 4.20 0.00 0.56 0.04 -1.26 -1.18 135.00 132.38 2k6y s PRO 71 Ca 0.61 2.41 0.00 0.00 0.04 0.00 0.00 61.00 64.06 2k6y s PRO 71 Cb -0.16 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.26 2k6y s PRO 71 CO 0.56 -0.59 0.00 1.63 0.04 0.00 0.00 177.00 178.64 2k6y n LYS 72 N 3.38 -0.12 -2.09 4.56 4.76 0.37 -5.00 118.16 124.02 2k6y n LYS 72 Ca 0.12 0.03 -0.43 0.00 -2.87 0.00 0.00 58.31 55.16 2k6y n LYS 72 Cb 0.38 -3.39 -0.03 0.00 -1.84 0.00 0.00 35.03 30.16 2k6y n LYS 72 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2k6y s GLY 73 N -2.00 1.48 -0.24 0.72 0.00 -0.32 -4.83 107.32 102.13 2k6y s GLY 73 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 44.72 45.48 2k6y s GLY 73 CO 0.00 2.95 -0.11 -1.60 0.00 0.00 0.00 173.10 174.34 2k6y s ARG 74 N 4.11 2.68 0.03 2.90 6.06 -1.26 -0.96 118.95 132.51 2k6y s ARG 74 Ca 0.70 -1.07 -0.14 0.00 -2.50 0.00 0.00 55.73 52.72 2k6y s ARG 74 Cb -0.30 -2.86 0.02 0.00 0.06 0.00 0.00 34.95 31.87 2k6y s ARG 74 CO 0.27 -0.41 0.31 0.14 -2.50 0.00 0.00 175.30 173.10 2k6y s VAL 75 N 1.25 0.08 -0.15 7.11 -7.23 -0.13 -5.00 120.40 116.32 2k6y s VAL 75 Ca -0.02 -0.64 -0.07 0.00 -1.81 0.00 0.00 61.98 59.45 2k6y s VAL 75 Cb -0.17 -0.88 -0.04 0.00 0.56 0.00 0.00 36.38 35.85 2k6y s VAL 75 CO -0.07 -0.35 0.08 -1.61 -0.31 0.00 0.00 175.10 172.84 2k6y s GLU 76 N -2.33 3.67 0.29 4.82 8.01 -1.26 -0.81 118.70 131.08 2k6y s GLU 76 Ca -0.06 -0.29 -0.29 0.00 0.01 0.00 0.00 54.97 54.33 2k6y s GLU 76 Cb -0.02 -3.15 -0.10 0.00 -4.31 0.00 0.00 34.13 26.55 2k6y s GLU 76 CO -0.02 0.49 1.41 -0.51 0.01 0.00 0.00 175.26 176.64 2k6y s LEU 77 N -0.24 4.39 -0.09 1.80 1.02 0.48 -4.84 118.68 121.19 2k6y s LEU 77 Ca 0.09 2.72 -0.14 0.00 0.02 0.00 0.00 54.13 56.82 2k6y s LEU 77 Cb -0.12 -3.64 0.03 0.00 0.02 0.00 0.00 46.19 42.49 2k6y s LEU 77 CO 0.01 -0.68 0.35 -1.59 0.02 0.00 0.00 176.35 174.47 2k6y s LYS 78 N -0.97 0.53 0.18 1.70 -2.85 0.13 -0.81 119.74 117.65 2k6y s LYS 78 Ca 0.56 0.26 -0.13 0.00 -1.00 0.00 0.00 55.97 55.65 2k6y s LYS 78 Cb -0.42 0.25 0.09 0.00 -2.06 0.00 0.00 37.83 35.68 2k6y s LYS 78 CO 0.48 -0.10 1.81 -1.00 0.10 0.00 0.00 175.35 176.64 2k6y h PRO 79 N 4.91 0.81 -5.15 1.78 0.13 -1.93 -2.49 132.00 130.07 2k6y h PRO 79 Ca -0.28 -0.08 -0.64 0.00 -0.87 0.00 0.00 66.00 64.14 2k6y h PRO 79 Cb 1.18 -0.17 -0.15 0.00 0.13 0.00 0.00 31.00 31.99 2k6y h PRO 79 CO 0.32 0.59 -0.19 0.20 -0.23 0.00 0.00 178.00 178.69 2k6y s GLY 80 N -2.87 1.87 0.00 1.56 0.00 -1.26 -4.71 107.32 101.92 2k6y s GLY 80 Ca -0.13 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.69 2k6y s GLY 80 CO 0.77 1.05 0.00 0.61 0.00 0.00 0.00 173.10 175.53 2k6y n GLY 81 N 4.72 1.76 3.40 0.20 0.00 -1.22 -5.04 105.19 109.02 2k6y n GLY 81 Ca -0.08 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.73 0.23 1.61 2.02 -0.94 -0.60 117.35 118.94 2k6y s TYR 82 Ca 0.00 1.55 -0.22 0.00 -0.37 0.00 0.00 57.07 58.03 2k6y s TYR 82 Cb 0.00 0.36 0.05 0.00 -0.40 0.00 0.00 41.96 41.97 2k6y s TYR 82 CO 0.00 -0.38 0.86 -3.38 -1.57 0.00 0.00 175.55 171.08 2k6y s HIS 83 N 1.26 -0.09 -0.23 2.71 -3.43 -0.38 0.23 115.29 115.34 2k6y s HIS 83 Ca -0.08 -0.33 -0.07 0.00 -0.80 0.00 0.00 55.06 53.78 2k6y s HIS 83 Cb -0.07 0.70 -0.03 0.00 -1.43 0.00 0.00 32.58 31.75 2k6y s HIS 83 CO -0.12 -1.08 0.06 -0.06 -2.00 0.00 0.00 174.74 171.54 2k6y s PHE 84 N -3.24 3.10 0.10 0.38 0.08 -0.64 -0.77 117.98 116.98 2k6y s PHE 84 Ca 0.13 -0.35 -0.30 0.00 0.12 0.00 0.00 56.93 56.53 2k6y s PHE 84 Cb -0.04 -2.19 -0.06 0.00 -0.57 0.00 0.00 43.02 40.17 2k6y s PHE 84 CO 0.05 -0.27 0.95 -1.64 -0.10 0.00 0.00 175.22 174.21 2k6y s MET 85 N 1.35 4.67 -0.27 0.44 -1.94 -0.29 -1.30 119.30 121.96 2k6y s MET 85 Ca 0.05 1.42 -0.08 0.00 -1.71 0.00 0.00 55.69 55.37 2k6y s MET 85 Cb -0.15 -3.38 -0.02 0.00 2.01 0.00 0.00 34.83 33.29 2k6y s MET 85 CO 0.03 0.20 0.10 -0.51 -0.01 0.00 0.00 175.02 174.83 2k6y s LEU 86 N 0.08 3.67 -0.30 -0.03 1.43 -0.07 -1.63 118.68 121.83 2k6y s LEU 86 Ca 0.47 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.28 2k6y s LEU 86 Cb -0.23 -1.95 0.08 0.00 0.03 0.00 0.00 46.19 44.12 2k6y s LEU 86 CO 0.29 -0.09 -0.01 -0.76 0.23 0.00 0.00 176.35 176.01 2k6y s LEU 87 N 1.61 3.82 0.12 1.79 1.43 0.07 -1.09 118.68 126.43 2k6y s LEU 87 Ca 0.06 -1.73 0.00 0.00 -1.03 0.00 0.00 54.13 51.43 2k6y s LEU 87 Cb -0.16 -1.48 0.00 0.00 0.03 0.00 0.00 46.19 44.59 2k6y s LEU 87 CO 0.05 -0.30 0.00 0.61 0.23 0.00 0.00 176.35 176.94 2k6y n GLY 88 N 4.42 -3.30 3.18 -3.19 0.00 -0.63 -1.17 105.19 104.50 2k6y n GLY 88 Ca -0.05 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.47 2.35 0.00 0.99 1.43 -1.26 -0.72 118.68 119.00 2k6y s LEU 89 Ca 0.00 -0.57 0.30 0.00 -1.03 0.00 0.00 54.13 52.83 2k6y s LEU 89 Cb 0.00 -1.55 1.55 0.00 0.03 0.00 0.00 46.19 46.22 2k6y s LEU 89 CO 0.00 0.00 2.06 2.29 0.23 0.00 0.00 176.35 180.93 2k6y n LYS 90 N 4.62 0.59 -3.74 1.70 2.85 -0.98 -4.72 118.16 118.47 2k6y n LYS 90 Ca -0.20 -0.04 -0.10 0.00 -1.05 0.00 0.00 58.31 56.92 2k6y n LYS 90 Cb 0.50 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.32 2k6y n LYS 90 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2k6y s ARG 91 N -2.44 0.94 0.80 -1.58 0.52 -1.24 -5.01 118.95 110.93 2k6y s ARG 91 Ca 0.33 -0.78 -0.11 0.00 -0.52 0.00 0.00 55.73 54.65 2k6y s ARG 91 Cb 0.21 0.40 0.07 0.00 0.52 0.00 0.00 34.95 36.15 2k6y s ARG 91 CO 0.44 -0.33 1.12 -1.25 0.02 0.00 0.00 175.30 175.30 2k6y s PRO 92 N -3.63 1.96 0.15 3.54 0.04 -1.26 -4.91 135.00 130.89 2k6y s PRO 92 Ca 0.03 1.33 -0.23 0.00 0.04 0.00 0.00 61.00 62.17 2k6y s PRO 92 Cb 0.03 -1.85 0.07 0.00 0.04 0.00 0.00 34.50 32.79 2k6y s PRO 92 CO -0.10 -1.89 0.63 -0.48 0.04 0.00 0.00 177.00 175.20 2k6y s LEU 93 N -5.95 -0.54 -0.20 -3.56 2.34 -1.26 -5.02 118.68 104.48 2k6y s LEU 93 Ca 0.64 -0.02 -0.11 0.00 0.06 0.00 0.00 54.13 54.70 2k6y s LEU 93 Cb -0.20 2.56 0.07 0.00 -0.56 0.00 0.00 46.19 48.06 2k6y s LEU 93 CO 0.54 -0.96 0.48 -0.75 -1.06 0.00 0.00 176.35 174.61 2k6y s LYS 94 N -3.71 0.47 0.00 1.48 2.36 -1.26 -4.94 119.74 114.14 2k6y s LYS 94 Ca 0.02 0.91 -0.30 0.00 -2.55 0.00 0.00 55.97 54.05 2k6y s LYS 94 Cb -0.01 0.04 -0.07 0.00 -1.05 0.00 0.00 37.83 36.73 2k6y s LYS 94 CO -0.12 -0.16 1.75 0.00 1.55 0.00 0.00 175.35 178.37 2k6y s ALA 95 N 1.52 3.62 0.00 3.13 0.00 -1.26 -2.33 121.76 126.44 2k6y s ALA 95 Ca -0.09 1.12 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2k6y s ALA 95 Cb -0.08 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.28 2k6y s ALA 95 CO -0.15 -1.38 0.00 0.41 0.00 0.00 0.00 175.76 174.64 2k6y n GLY 96 N 4.23 1.75 3.65 0.00 0.00 -1.08 -5.00 105.19 108.73 2k6y n GLY 96 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2k6y n GLY 96 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k6y s GLU 97 N -0.73 2.02 0.22 1.61 -1.05 -0.99 -5.03 118.70 114.75 2k6y s GLU 97 Ca 0.00 -2.21 -0.12 0.00 -0.15 0.00 0.00 54.97 52.48 2k6y s GLU 97 Cb 0.00 -1.41 -0.07 0.00 -0.44 0.00 0.00 34.13 32.21 2k6y s GLU 97 CO 0.00 -0.23 0.58 -1.83 0.95 0.00 0.00 175.26 174.73 2k6y s GLU 98 N -3.80 3.90 -0.17 -4.83 1.03 -1.26 -0.50 118.70 113.08 2k6y s GLU 98 Ca 0.22 0.42 -0.16 0.00 0.03 0.00 0.00 54.97 55.48 2k6y s GLU 98 Cb 0.06 -2.71 -0.04 0.00 -0.80 0.00 0.00 34.13 30.64 2k6y s GLU 98 CO 0.11 0.34 0.42 0.08 -1.33 0.00 0.00 175.26 174.88 2k6y s VAL 99 N -1.73 5.21 -0.24 1.83 1.01 0.10 -4.86 120.40 121.71 2k6y s VAL 99 Ca 0.45 0.78 -0.29 0.00 0.00 0.00 0.00 61.98 62.93 2k6y s VAL 99 Cb -0.12 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 2k6y s VAL 99 CO 0.20 0.29 1.89 -1.61 0.00 0.00 0.00 175.10 175.87 2k6y s GLU 100 N 0.98 3.44 -0.25 2.72 2.02 -1.26 -1.51 118.70 124.85 2k6y s GLU 100 Ca 0.21 1.75 -0.10 0.00 0.02 0.00 0.00 54.97 56.85 2k6y s GLU 100 Cb -0.15 -4.21 -0.05 0.00 0.10 0.00 0.00 34.13 29.83 2k6y s GLU 100 CO 0.08 -1.73 0.15 -1.17 0.02 0.00 0.00 175.26 172.61 2k6y s LEU 101 N 6.73 3.99 -0.91 1.80 1.98 0.27 -4.13 118.68 128.41 2k6y s LEU 101 Ca 0.85 0.04 -0.10 0.00 -2.89 0.00 0.00 54.13 52.03 2k6y s LEU 101 Cb -0.28 -2.08 0.23 0.00 0.66 0.00 0.00 46.19 44.73 2k6y s LEU 101 CO 0.34 0.03 0.85 -1.81 -1.89 0.00 0.00 176.35 173.86 2k6y s ASP 102 N 1.28 6.69 -0.04 3.68 1.11 0.51 -0.34 116.67 129.56 2k6y s ASP 102 Ca 0.07 -3.14 -0.30 0.00 0.18 0.00 0.00 52.55 49.36 2k6y s ASP 102 Cb -0.14 -2.13 -0.05 0.00 1.07 0.00 0.00 42.92 41.66 2k6y s ASP 102 CO 0.06 -0.41 1.57 -0.76 1.18 0.00 0.00 175.17 176.81 2k6y s LEU 103 N -0.53 4.31 -0.08 1.23 2.01 -0.01 -1.20 118.68 124.41 2k6y s LEU 103 Ca 0.23 2.18 -0.16 0.00 0.01 0.00 0.00 54.13 56.39 2k6y s LEU 103 Cb -0.11 -3.54 -0.05 0.00 0.01 0.00 0.00 46.19 42.50 2k6y s LEU 103 CO -0.08 -0.87 0.43 -0.76 1.01 0.00 0.00 176.35 176.08 2k6y s LEU 104 N 3.53 4.34 0.17 1.79 1.43 -0.14 -1.16 118.68 128.64 2k6y s LEU 104 Ca 0.70 0.82 0.10 0.00 -1.03 0.00 0.00 54.13 54.72 2k6y s LEU 104 Cb -0.32 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 2k6y s LEU 104 CO 0.28 0.13 -0.23 -0.36 0.23 0.00 0.00 176.35 176.40 2k6y s PHE 105 N -0.00 2.13 0.23 0.29 0.40 -0.19 -0.08 117.98 120.75 2k6y s PHE 105 Ca 0.24 -0.39 -0.32 0.00 -0.60 0.00 0.00 56.93 55.86 2k6y s PHE 105 Cb -0.15 -1.08 -0.13 0.00 0.51 0.00 0.00 43.02 42.17 2k6y s PHE 105 CO 0.10 0.40 1.60 0.00 0.70 0.00 0.00 175.22 178.03 2k6y n ALA 106 N 0.47 2.13 0.00 5.36 0.00 -0.39 -4.03 120.51 124.04 2k6y n ALA 106 Ca -0.14 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2k6y n ALA 106 Cb 0.55 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.58 2k6y n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k6y n GLY 107 N 2.99 0.51 1.45 0.00 0.00 -1.26 -4.51 105.19 104.38 2k6y n GLY 107 Ca 0.13 -1.40 0.11 0.00 0.00 0.00 0.00 46.02 44.86 2k6y n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6y n GLY 108 N 0.00 2.64 3.78 -0.02 0.00 -1.26 -4.99 105.19 105.33 2k6y n GLY 108 Ca 0.00 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.40 4.36 -0.05 1.61 -0.14 -1.26 -5.03 119.74 117.83 2k6y s LYS 109 Ca 0.50 0.87 -0.04 0.00 -1.36 0.00 0.00 55.97 55.94 2k6y s LYS 109 Cb 0.29 -3.30 0.02 0.00 -1.68 0.00 0.00 37.83 33.16 2k6y s LYS 109 CO 0.29 0.47 0.12 0.54 -0.76 0.00 0.00 175.35 176.02 2k6y s VAL 110 N -0.62 -0.01 -0.28 3.17 0.11 -1.26 -1.02 120.40 120.49 2k6y s VAL 110 Ca 0.33 0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 59.37 2k6y s VAL 110 Cb -0.20 -0.19 0.03 0.00 -1.53 0.00 0.00 36.38 34.49 2k6y s VAL 110 CO 0.20 0.01 -0.00 -0.76 -3.33 0.00 0.00 175.10 171.22 2k6y s LEU 111 N 0.23 3.60 -0.29 2.54 2.01 -0.31 -4.94 118.68 121.52 2k6y s LEU 111 Ca -0.01 -0.96 -0.29 0.00 0.01 0.00 0.00 54.13 52.88 2k6y s LEU 111 Cb -0.02 -1.74 0.01 0.00 0.01 0.00 0.00 46.19 44.44 2k6y s LEU 111 CO -0.01 -0.19 1.14 -0.75 1.01 0.00 0.00 176.35 177.55 2k6y s LYS 112 N 1.35 4.08 0.09 1.70 2.20 -1.26 -0.83 119.74 127.07 2k6y s LYS 112 Ca -0.01 1.20 0.08 0.00 -0.36 0.00 0.00 55.97 56.88 2k6y s LYS 112 Cb -0.18 -3.76 -0.03 0.00 -1.51 0.00 0.00 37.83 32.35 2k6y s LYS 112 CO -0.01 -0.89 -0.20 0.14 -0.36 0.00 0.00 175.35 174.02 2k6y s VAL 113 N 3.73 1.62 -0.07 4.02 -7.23 0.54 -4.99 120.40 118.03 2k6y s VAL 113 Ca 0.48 -1.47 -0.12 0.00 -1.81 0.00 0.00 61.98 59.06 2k6y s VAL 113 Cb -0.14 -1.48 -0.05 0.00 0.56 0.00 0.00 36.38 35.27 2k6y s VAL 113 CO 0.16 -0.06 0.31 0.68 -0.31 0.00 0.00 175.10 175.88 2k6y s VAL 114 N -1.14 5.22 -0.06 1.32 -7.23 -1.26 -0.57 120.40 116.69 2k6y s VAL 114 Ca 0.05 0.60 -0.06 0.00 -1.81 0.00 0.00 61.98 60.76 2k6y s VAL 114 Cb -0.10 -3.61 0.02 0.00 0.56 0.00 0.00 36.38 33.25 2k6y s VAL 114 CO 0.04 0.55 0.17 -0.76 -0.31 0.00 0.00 175.10 174.80 2k6y s LEU 115 N -0.76 1.34 0.43 1.32 1.43 -0.57 -4.97 118.68 116.90 2k6y s LEU 115 Ca 0.20 0.32 -0.25 0.00 -1.03 0.00 0.00 54.13 53.37 2k6y s LEU 115 Cb -0.15 0.61 -0.08 0.00 0.03 0.00 0.00 46.19 46.61 2k6y s LEU 115 CO 0.09 -0.08 1.22 -2.16 0.23 0.00 0.00 176.35 175.65 2k6y s PRO 116 N 0.00 3.88 -0.15 1.29 0.04 -1.26 0.01 135.00 138.82 2k6y s PRO 116 Ca -0.01 1.95 -0.22 0.00 0.04 0.00 0.00 61.00 62.77 2k6y s PRO 116 Cb -0.02 -2.60 -0.03 0.00 0.04 0.00 0.00 34.50 31.89 2k6y s PRO 116 CO 0.00 -0.50 0.66 0.08 0.04 0.00 0.00 177.00 177.28 2k6y s VAL 117 N -1.39 5.03 0.45 -0.36 1.01 0.35 -1.60 120.40 123.89 2k6y s VAL 117 Ca 0.60 1.29 0.05 0.00 0.00 0.00 0.00 61.98 63.91 2k6y s VAL 117 Cb -0.33 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.08 2k6y s VAL 117 CO 0.42 0.17 0.63 -0.70 0.00 0.00 0.00 175.10 175.61 2k6y s GLU 118 N 1.45 2.80 -0.23 2.72 2.12 -0.23 -2.63 118.70 124.71 2k6y s GLU 118 Ca 0.32 -1.00 -0.02 0.00 0.36 0.00 0.00 54.97 54.64 2k6y s GLU 118 Cb -0.16 -2.67 0.01 0.00 0.26 0.00 0.00 34.13 31.57 2k6y s GLU 118 CO 0.13 -0.36 -0.08 0.00 -0.54 0.00 0.00 175.26 174.41 2k6y s ALA 119 N -2.47 2.66 0.00 6.30 0.00 -1.26 -0.46 121.76 126.53 2k6y s ALA 119 Ca 0.54 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2k6y s ALA 119 Cb -0.10 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.43 2k6y s ALA 119 CO 0.35 -0.61 0.00 -2.13 0.00 0.00 0.00 175.76 173.37