#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6z s SER 2 N 0.00 -0.15 -1.22 1.61 0.15 -0.58 -4.99 113.70 108.52 2k6z s SER 2 Ca 0.00 -0.23 -0.20 0.00 0.70 0.00 0.00 55.95 56.22 2k6z s SER 2 Cb 0.00 0.33 -0.02 0.00 -1.71 0.00 0.00 66.02 64.62 2k6z s SER 2 CO 0.00 -0.60 1.88 2.22 1.20 0.00 0.00 173.24 177.94 2k6z n PHE 3 N -0.43 3.53 0.00 3.44 -1.74 -1.26 -1.42 117.46 119.59 2k6z n PHE 3 Ca -0.07 -2.22 0.00 0.00 -0.56 0.00 0.00 57.45 54.61 2k6z n PHE 3 Cb 0.61 -2.53 0.00 0.00 1.52 0.00 0.00 39.48 39.08 2k6z n PHE 3 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 2k6z n THR 4 N 6.78 0.00 -3.64 1.97 -2.24 -1.26 -5.13 114.28 110.77 2k6z n THR 4 Ca 0.48 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 62.17 2k6z n THR 4 Cb 0.45 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.61 2k6z n THR 4 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2k6z s GLU 5 N 0.00 0.68 0.24 -0.78 4.04 -0.50 -4.76 118.70 117.62 2k6z s GLU 5 Ca 0.00 0.99 0.11 0.00 0.04 0.00 0.00 54.97 56.11 2k6z s GLU 5 Cb 0.00 0.24 -0.05 0.00 0.02 0.00 0.00 34.13 34.34 2k6z s GLU 5 CO 0.00 -0.11 -0.21 0.20 -1.84 0.00 0.00 175.26 173.30 2k6z s GLY 6 N 0.96 1.78 0.43 -3.83 0.00 -1.23 -0.70 107.32 104.73 2k6z s GLY 6 Ca -0.04 -1.76 -0.01 0.00 0.00 0.00 0.00 44.72 42.91 2k6z s GLY 6 CO -0.10 -1.82 0.66 0.66 0.00 0.00 0.00 173.10 172.50 2k6z s TRP 7 N -2.18 3.35 0.05 1.90 -2.14 -1.26 -4.21 118.94 114.45 2k6z s TRP 7 Ca 0.25 0.36 -0.30 0.00 2.66 0.00 0.00 56.10 59.08 2k6z s TRP 7 Cb -0.06 -2.21 -0.04 0.00 -3.10 0.00 0.00 33.47 28.06 2k6z s TRP 7 CO 0.12 -0.23 0.96 0.08 -2.66 0.00 0.00 176.95 175.22 2k6z s VAL 8 N -2.53 4.70 0.65 -0.66 1.01 0.53 -0.55 120.40 123.54 2k6z s VAL 8 Ca 0.46 2.03 0.40 0.00 0.00 0.00 0.00 61.98 64.87 2k6z s VAL 8 Cb -0.10 -4.31 0.41 0.00 0.00 0.00 0.00 36.38 32.39 2k6z s VAL 8 CO 0.39 0.24 2.30 -0.09 0.00 0.00 0.00 175.10 177.94 2k6z h ARG 9 N 6.19 0.00 0.00 2.72 1.12 -1.42 -2.69 114.38 120.30 2k6z h ARG 9 Ca -0.42 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.45 2k6z h ARG 9 Cb 1.21 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.17 2k6z h ARG 9 CO 0.73 0.00 0.00 0.34 -3.11 0.00 0.00 179.97 177.93 2k6z n PHE 10 N -3.24 0.00 -3.59 2.20 7.35 -1.26 -3.76 117.46 115.17 2k6z n PHE 10 Ca -0.03 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.58 2k6z n PHE 10 Cb 0.12 -0.57 -0.05 0.00 0.35 0.00 0.00 39.48 39.33 2k6z n PHE 10 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2k6z s SER 11 N -1.71 -0.28 0.35 -2.13 0.15 -1.26 -4.93 113.70 103.88 2k6z s SER 11 Ca 0.00 0.29 0.24 0.00 0.70 0.00 0.00 55.95 57.17 2k6z s SER 11 Cb 0.00 0.24 0.42 0.00 -1.71 0.00 0.00 66.02 64.97 2k6z s SER 11 CO 0.00 -0.28 1.58 1.55 1.20 0.00 0.00 173.24 177.29 2k6z h PRO 12 N 2.40 0.00 0.00 5.44 0.13 -1.89 -1.24 132.00 136.84 2k6z h PRO 12 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2k6z h PRO 12 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2k6z h PRO 12 CO 0.29 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.47 2k6z n GLY 13 N 1.17 0.11 0.00 1.56 0.00 -1.26 -4.25 105.19 102.51 2k6z n GLY 13 Ca 0.04 -2.30 0.12 0.00 0.00 0.00 0.00 46.02 43.88 2k6z n GLY 13 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k6z n PRO 14 N -0.02 0.51 -4.36 1.61 -0.04 -1.26 -4.95 135.00 126.49 2k6z n PRO 14 Ca 0.00 0.04 -0.20 0.00 -0.04 0.00 0.00 63.50 63.29 2k6z n PRO 14 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 2k6z n PRO 14 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2k6z s ASN 15 N -2.35 1.85 0.18 3.54 0.02 -1.26 -2.18 114.94 114.73 2k6z s ASN 15 Ca 0.28 -1.65 -0.05 0.00 -1.02 0.00 0.00 52.86 50.42 2k6z s ASN 15 Cb 0.16 0.48 0.02 0.00 0.02 0.00 0.00 41.25 41.94 2k6z s ASN 15 CO 0.33 -0.96 0.32 0.00 0.02 0.00 0.00 177.10 176.82 2k6z n ALA 16 N -0.67 -0.62 -3.32 0.60 0.00 0.71 -4.84 120.51 112.37 2k6z n ALA 16 Ca 0.02 -0.64 -0.15 0.00 0.00 0.00 0.00 53.44 52.67 2k6z n ALA 16 Cb 0.64 0.51 -0.08 0.00 0.00 0.00 0.00 19.45 20.52 2k6z n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k6z s ALA 17 N -1.69 -1.06 -0.02 0.00 0.00 -1.26 -0.69 121.76 117.04 2k6z s ALA 17 Ca 0.09 0.65 0.01 0.00 0.00 0.00 0.00 51.96 52.72 2k6z s ALA 17 Cb -0.02 -0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.10 2k6z s ALA 17 CO 0.07 -0.29 -0.05 0.00 0.00 0.00 0.00 175.76 175.49 2k6z s ALA 18 N -1.18 0.51 -0.57 0.00 0.00 -0.20 -1.38 121.76 118.95 2k6z s ALA 18 Ca -0.12 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.69 2k6z s ALA 18 Cb -0.04 -0.21 0.44 0.00 0.00 0.00 0.00 23.12 23.32 2k6z s ALA 18 CO 0.05 0.07 1.76 0.66 0.00 0.00 0.00 175.76 178.30 2k6z n TYR 19 N 3.32 3.09 -1.42 0.00 4.01 0.28 -2.39 117.16 124.06 2k6z n TYR 19 Ca -0.17 -2.75 -0.33 0.00 -0.16 0.00 0.00 57.90 54.48 2k6z n TYR 19 Cb 0.55 -1.07 0.09 0.00 -0.31 0.00 0.00 39.34 38.61 2k6z n TYR 19 CO 0.00 0.00 0.00 -0.48 -0.46 0.00 0.00 176.86 175.92 2k6z s LEU 20 N -3.77 3.24 -0.06 7.72 0.05 -1.25 -3.56 118.68 121.05 2k6z s LEU 20 Ca 0.59 2.16 -0.05 0.00 0.05 0.00 0.00 54.13 56.88 2k6z s LEU 20 Cb 0.47 -4.57 -0.04 0.00 -2.05 0.00 0.00 46.19 40.01 2k6z s LEU 20 CO -0.03 -2.15 0.17 -0.89 -0.55 0.00 0.00 176.35 172.90 2k6z s THR 21 N -2.30 5.45 -0.17 5.48 2.01 -1.26 -1.23 115.64 123.63 2k6z s THR 21 Ca 0.69 0.04 -0.00 0.00 0.31 0.00 0.00 61.69 62.73 2k6z s THR 21 Cb -0.24 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 68.79 2k6z s THR 21 CO 0.47 0.46 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.95 2k6z s LEU 22 N -1.52 2.46 -0.09 4.42 2.01 0.19 -4.98 118.68 121.17 2k6z s LEU 22 Ca 0.22 -0.49 -0.04 0.00 0.01 0.00 0.00 54.13 53.82 2k6z s LEU 22 Cb -0.12 -1.57 -0.04 0.00 0.01 0.00 0.00 46.19 44.47 2k6z s LEU 22 CO 0.12 0.05 0.09 -1.61 1.01 0.00 0.00 176.35 176.01 2k6z s GLU 23 N 1.00 3.23 -0.84 1.70 0.41 -1.26 -0.62 118.70 122.32 2k6z s GLU 23 Ca -0.02 -0.28 -0.05 0.00 -0.41 0.00 0.00 54.97 54.21 2k6z s GLU 23 Cb -0.15 -3.00 0.21 0.00 -1.78 0.00 0.00 34.13 29.41 2k6z s GLU 23 CO -0.03 0.73 0.73 1.21 -0.49 0.00 0.00 175.26 177.41 2k6z s ASN 24 N -1.12 6.06 0.00 -0.19 3.84 0.02 -4.93 114.94 118.63 2k6z s ASN 24 Ca 0.16 -3.34 0.19 0.00 0.21 0.00 0.00 52.86 50.07 2k6z s ASN 24 Cb -0.12 -1.97 0.80 0.00 -0.55 0.00 0.00 41.25 39.40 2k6z s ASN 24 CO 0.06 -0.30 1.60 -0.81 -2.79 0.00 0.00 177.10 174.86 2k6z n PRO 25 N 2.90 0.00 -2.30 0.43 -0.04 -1.26 -0.60 135.00 134.13 2k6z n PRO 25 Ca 0.17 0.18 -0.26 0.00 -0.04 0.00 0.00 63.50 63.55 2k6z n PRO 25 Cb 0.39 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.47 2k6z n PRO 25 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k6z s GLY 26 N -3.01 1.76 0.00 0.55 0.00 -1.26 -4.71 107.32 100.65 2k6z s GLY 26 Ca 0.09 -1.41 0.19 0.00 0.00 0.00 0.00 44.72 43.59 2k6z s GLY 26 CO 0.34 -0.80 0.86 1.22 0.00 0.00 0.00 173.10 174.72 2k6z n ASP 27 N -3.16 1.16 -4.17 1.64 9.92 -1.26 -2.22 116.55 118.46 2k6z n ASP 27 Ca 0.14 -1.08 -0.16 0.00 -0.53 0.00 0.00 54.79 53.16 2k6z n ASP 27 Cb 0.60 0.86 -0.11 0.00 -0.64 0.00 0.00 41.12 41.83 2k6z n ASP 27 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2k6z s LEU 28 N -2.75 2.34 0.83 0.64 1.43 -1.26 -4.82 118.68 115.09 2k6z s LEU 28 Ca 0.10 -0.71 -0.12 0.00 -1.03 0.00 0.00 54.13 52.37 2k6z s LEU 28 Cb 0.15 -0.40 0.09 0.00 0.03 0.00 0.00 46.19 46.06 2k6z s LEU 28 CO 0.71 -0.17 1.13 -2.16 0.23 0.00 0.00 176.35 176.09 2k6z s PRO 29 N -2.23 1.84 0.08 1.29 0.04 -1.26 -4.66 135.00 130.10 2k6z s PRO 29 Ca 0.01 0.37 0.07 0.00 0.04 0.00 0.00 61.00 61.50 2k6z s PRO 29 Cb -0.07 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2k6z s PRO 29 CO 0.01 -1.73 -0.15 -0.51 0.04 0.00 0.00 177.00 174.66 2k6z s LEU 30 N -5.76 2.79 -0.30 -3.56 1.02 -0.57 -4.78 118.68 107.51 2k6z s LEU 30 Ca 0.62 -0.45 -0.01 0.00 0.02 0.00 0.00 54.13 54.31 2k6z s LEU 30 Cb -0.13 -1.62 0.12 0.00 0.02 0.00 0.00 46.19 44.58 2k6z s LEU 30 CO 0.52 0.21 0.24 -0.60 0.02 0.00 0.00 176.35 176.74 2k6z s ARG 31 N -1.88 0.30 -0.65 1.70 3.52 -1.26 -0.64 118.95 120.04 2k6z s ARG 31 Ca 0.18 -0.39 -0.25 0.00 -0.13 0.00 0.00 55.73 55.14 2k6z s ARG 31 Cb -0.11 -0.88 0.04 0.00 -1.56 0.00 0.00 34.95 32.45 2k6z s ARG 31 CO 0.09 -1.05 1.10 -1.17 -0.81 0.00 0.00 175.30 173.47 2k6z s LEU 32 N 2.15 3.76 -0.02 -0.88 2.96 0.89 -1.18 118.68 126.35 2k6z s LEU 32 Ca 0.10 -0.48 0.18 0.00 -0.22 0.00 0.00 54.13 53.71 2k6z s LEU 32 Cb -0.15 -2.68 -0.20 0.00 0.50 0.00 0.00 46.19 43.65 2k6z s LEU 32 CO -0.31 -1.53 0.57 1.33 -1.32 0.00 0.00 176.35 175.09 2k6z n VAL 33 N 6.26 0.96 -3.58 1.68 0.24 -0.23 -1.04 118.33 122.62 2k6z n VAL 33 Ca 0.02 -0.69 -0.07 0.00 -2.04 0.00 0.00 64.34 61.57 2k6z n VAL 33 Cb 0.48 -0.49 0.02 0.00 -1.47 0.00 0.00 33.84 32.37 2k6z n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k6z n GLY 34 N 1.44 1.38 2.68 7.63 0.00 -0.92 -4.76 105.19 112.64 2k6z n GLY 34 Ca -0.14 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.53 2k6z n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k6z n ALA 35 N -1.32 0.16 -3.55 4.61 0.00 -1.26 -0.80 120.51 118.35 2k6z n ALA 35 Ca -0.11 -1.45 -0.09 0.00 0.00 0.00 0.00 53.44 51.78 2k6z n ALA 35 Cb 0.41 1.18 -0.01 0.00 0.00 0.00 0.00 19.45 21.03 2k6z n ALA 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k6z s ARG 36 N -2.88 1.96 -0.04 0.00 6.06 -0.26 -4.85 118.95 118.95 2k6z s ARG 36 Ca 0.28 -1.36 -0.30 0.00 -2.50 0.00 0.00 55.73 51.86 2k6z s ARG 36 Cb 0.00 0.56 0.09 0.00 0.06 0.00 0.00 34.95 35.67 2k6z s ARG 36 CO 0.20 -0.88 0.76 -0.08 -2.50 0.00 0.00 175.30 172.80 2k6z s THR 37 N -3.10 0.00 0.38 4.11 -1.32 -1.26 -0.52 115.64 113.92 2k6z s THR 37 Ca 0.18 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.80 2k6z s THR 37 Cb -0.04 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.06 2k6z s THR 37 CO 0.12 0.00 1.85 1.55 -2.21 0.00 0.00 174.62 175.93 2k6z h PRO 38 N 2.68 0.00 -0.53 7.08 0.13 -2.02 -3.18 132.00 136.15 2k6z h PRO 38 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2k6z h PRO 38 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k6z h PRO 38 CO 0.36 0.34 0.00 1.33 -0.23 0.00 0.00 178.00 179.80 2k6z n VAL 39 N -4.08 0.62 -3.79 1.56 0.24 -1.26 -4.80 118.33 106.82 2k6z n VAL 39 Ca -0.02 -0.40 -0.13 0.00 -2.04 0.00 0.00 64.34 61.75 2k6z n VAL 39 Cb 0.39 -0.11 -0.12 0.00 -1.47 0.00 0.00 33.84 32.53 2k6z n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k6z s ALA 40 N -1.63 -0.54 -0.04 2.33 0.00 -1.20 -1.44 121.76 119.23 2k6z s ALA 40 Ca 0.18 0.67 0.12 0.00 0.00 0.00 0.00 51.96 52.93 2k6z s ALA 40 Cb 0.11 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.84 2k6z s ALA 40 CO 0.09 -0.12 1.40 1.49 0.00 0.00 0.00 175.76 178.62 2k6z h GLU 41 N 6.01 0.00 -3.96 0.00 4.57 -1.60 -3.42 114.58 116.19 2k6z h GLU 41 Ca -0.28 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 57.79 2k6z h GLU 41 Cb 1.19 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 29.65 2k6z h GLU 41 CO 0.37 0.67 -0.36 1.03 -1.18 0.00 0.00 179.01 179.54 2k6z s ARG 42 N -2.91 1.15 -0.11 1.92 0.52 -1.17 -5.03 118.95 113.32 2k6z s ARG 42 Ca 0.03 -1.23 -0.16 0.00 -0.52 0.00 0.00 55.73 53.85 2k6z s ARG 42 Cb 0.09 0.36 0.04 0.00 0.52 0.00 0.00 34.95 35.96 2k6z s ARG 42 CO 0.77 -0.42 0.41 0.54 0.02 0.00 0.00 175.30 176.63 2k6z s VAL 43 N -3.99 0.02 0.25 3.52 0.11 -1.26 -0.99 120.40 118.06 2k6z s VAL 43 Ca 0.19 -0.14 0.11 0.00 -2.93 0.00 0.00 61.98 59.21 2k6z s VAL 43 Cb 0.04 -0.64 -0.05 0.00 -1.53 0.00 0.00 36.38 34.20 2k6z s VAL 43 CO 0.01 -0.08 -0.17 -1.61 -3.33 0.00 0.00 175.10 169.92 2k6z s GLU 44 N -0.37 1.75 -0.27 1.54 2.02 0.13 -4.96 118.70 118.55 2k6z s GLU 44 Ca -0.05 -1.62 -0.07 0.00 0.02 0.00 0.00 54.97 53.25 2k6z s GLU 44 Cb -0.03 -1.88 -0.01 0.00 0.10 0.00 0.00 34.13 32.31 2k6z s GLU 44 CO 0.03 0.36 0.08 -1.17 0.02 0.00 0.00 175.26 174.58 2k6z s LEU 45 N -3.26 3.65 0.35 1.80 2.96 -1.26 -0.78 118.68 122.14 2k6z s LEU 45 Ca 0.27 -0.44 0.09 0.00 -0.22 0.00 0.00 54.13 53.84 2k6z s LEU 45 Cb -0.06 -1.91 -0.06 0.00 0.50 0.00 0.00 46.19 44.65 2k6z s LEU 45 CO 0.14 -0.11 -0.09 -1.00 -1.32 0.00 0.00 176.35 173.97 2k6z s HIS 46 N 1.57 2.41 0.30 5.38 3.76 -0.19 -0.82 115.29 127.70 2k6z s HIS 46 Ca 0.05 -0.50 0.10 0.00 -0.15 0.00 0.00 55.06 54.56 2k6z s HIS 46 Cb -0.16 -1.40 -0.06 0.00 1.11 0.00 0.00 32.58 32.08 2k6z s HIS 46 CO 0.03 0.58 -0.13 -1.83 -0.85 0.00 0.00 174.74 172.54 2k6z s GLU 47 N -3.62 1.67 -0.03 1.40 -1.05 -0.00 -1.41 118.70 115.66 2k6z s GLU 47 Ca 0.33 -1.82 0.06 0.00 -0.15 0.00 0.00 54.97 53.39 2k6z s GLU 47 Cb 0.03 -1.58 -0.02 0.00 -0.44 0.00 0.00 34.13 32.11 2k6z s GLU 47 CO 0.17 0.20 -0.22 0.99 0.95 0.00 0.00 175.26 177.35 2k6z s THR 48 N -2.67 2.39 0.23 1.83 2.01 -0.44 -1.37 115.64 117.61 2k6z s THR 48 Ca 0.30 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.33 2k6z s THR 48 Cb -0.00 -1.87 -0.05 0.00 0.01 0.00 0.00 72.50 70.59 2k6z s THR 48 CO 0.14 0.58 0.10 0.72 -0.69 0.00 0.00 174.62 175.47 2k6z s PHE 49 N -0.61 1.36 0.06 4.92 -0.12 0.05 -4.19 117.98 119.44 2k6z s PHE 49 Ca 0.09 -1.23 0.05 0.00 -0.05 0.00 0.00 56.93 55.79 2k6z s PHE 49 Cb -0.11 -0.76 -0.04 0.00 -0.63 0.00 0.00 43.02 41.49 2k6z s PHE 49 CO -0.00 -0.43 -0.07 1.41 -0.05 0.00 0.00 175.22 176.08 2k6z s MET 50 N -4.06 2.37 0.03 1.99 -2.45 -1.26 -1.09 119.30 114.82 2k6z s MET 50 Ca 0.36 -0.86 -0.13 0.00 -1.25 0.00 0.00 55.69 53.82 2k6z s MET 50 Cb 0.07 -2.42 0.02 0.00 1.25 0.00 0.00 34.83 33.75 2k6z s MET 50 CO 0.12 0.55 0.27 0.50 1.05 0.00 0.00 175.02 177.51 2k6z s ARG 51 N -1.85 0.73 -0.11 4.11 3.00 -0.21 -4.93 118.95 119.70 2k6z s ARG 51 Ca 0.20 -0.46 -0.04 0.00 -1.00 0.00 0.00 55.73 54.43 2k6z s ARG 51 Cb -0.11 0.31 -0.04 0.00 0.00 0.00 0.00 34.95 35.12 2k6z s ARG 51 CO 0.11 -0.22 0.04 -2.00 0.00 0.00 0.00 175.30 173.23 2k6z s GLU 52 N -2.23 3.21 -0.13 5.12 2.56 -1.26 -0.40 118.70 125.57 2k6z s GLU 52 Ca -0.07 -0.35 -0.03 0.00 0.00 0.00 0.00 54.97 54.52 2k6z s GLU 52 Cb -0.02 -2.92 0.05 0.00 2.00 0.00 0.00 34.13 33.23 2k6z s GLU 52 CO -0.02 0.66 0.05 0.08 -0.56 0.00 0.00 175.26 175.47 2k6z s VAL 53 N -0.74 0.21 -0.63 3.70 1.01 0.37 -4.85 120.40 119.46 2k6z s VAL 53 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2k6z s VAL 53 Cb -0.12 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.63 2k6z s VAL 53 CO 0.02 -0.06 0.00 -0.62 0.00 0.00 0.00 175.10 174.45 2k6z n GLU 54 N 5.18 -1.18 -0.81 2.72 1.02 -1.26 -1.10 120.64 125.21 2k6z n GLU 54 Ca -0.07 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 2k6z n GLU 54 Cb 0.49 -4.65 0.00 0.00 -0.02 0.00 0.00 31.44 27.25 2k6z n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k6z n GLY 55 N -0.73 0.53 3.20 0.62 0.00 -1.26 -5.08 105.19 102.47 2k6z n GLY 55 Ca -0.06 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 2k6z n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k6z s LYS 56 N -1.63 3.06 -0.20 1.61 1.02 -0.26 -5.12 119.74 118.23 2k6z s LYS 56 Ca 0.00 -0.84 -0.22 0.00 0.02 0.00 0.00 55.97 54.93 2k6z s LYS 56 Cb 0.00 -2.45 -0.02 0.00 -0.52 0.00 0.00 37.83 34.84 2k6z s LYS 56 CO 0.00 0.02 0.68 0.15 -0.92 0.00 0.00 175.35 175.28 2k6z s LYS 57 N 0.73 4.22 -0.02 1.68 1.02 -1.26 -0.48 119.74 125.63 2k6z s LYS 57 Ca -0.09 0.70 -0.02 0.00 0.02 0.00 0.00 55.97 56.59 2k6z s LYS 57 Cb -0.16 -3.59 0.00 0.00 -0.52 0.00 0.00 37.83 33.57 2k6z s LYS 57 CO 0.00 -0.28 0.06 0.08 -0.92 0.00 0.00 175.35 174.29 2k6z s VAL 58 N 2.05 0.01 0.52 3.17 1.01 0.47 -4.99 120.40 122.64 2k6z s VAL 58 Ca 0.31 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.21 2k6z s VAL 58 Cb -0.16 -0.12 0.02 0.00 0.00 0.00 0.00 36.38 36.13 2k6z s VAL 58 CO 0.10 -0.05 0.74 -0.04 0.00 0.00 0.00 175.10 175.85 2k6z s MET 59 N -0.12 2.70 0.34 2.72 -1.94 -1.26 -1.04 119.30 120.69 2k6z s MET 59 Ca -0.02 -0.72 -0.10 0.00 -1.71 0.00 0.00 55.69 53.14 2k6z s MET 59 Cb -0.01 -2.52 0.04 0.00 2.01 0.00 0.00 34.83 34.35 2k6z s MET 59 CO 0.00 -0.57 0.63 0.41 -0.01 0.00 0.00 175.02 175.48 2k6z n GLY 60 N -2.25 1.38 3.32 -0.03 0.00 -0.25 -4.89 105.19 102.47 2k6z n GLY 60 Ca 0.06 -1.32 -0.15 0.00 0.00 0.00 0.00 46.02 44.61 2k6z n GLY 60 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2k6z s MET 61 N -2.25 0.79 0.04 1.61 1.75 -1.26 -0.77 119.30 119.21 2k6z s MET 61 Ca 0.17 -0.07 -0.25 0.00 -1.25 0.00 0.00 55.69 54.29 2k6z s MET 61 Cb -0.03 0.36 0.06 0.00 2.84 0.00 0.00 34.83 38.05 2k6z s MET 61 CO 0.13 -0.23 0.59 -0.98 -0.65 0.00 0.00 175.02 173.87 2k6z s ARG 62 N -1.32 1.09 0.64 4.11 1.70 -0.47 -4.99 118.95 119.72 2k6z s ARG 62 Ca -0.13 -0.12 -0.15 0.00 -0.47 0.00 0.00 55.73 54.86 2k6z s ARG 62 Cb -0.04 0.50 -0.01 0.00 -0.57 0.00 0.00 34.95 34.84 2k6z s ARG 62 CO 0.06 -0.40 1.10 -1.25 -1.08 0.00 0.00 175.30 173.73 2k6z s PRO 63 N -2.30 2.93 0.02 3.89 0.04 -1.26 -0.82 135.00 137.50 2k6z s PRO 63 Ca -0.06 1.34 -0.01 0.00 0.04 0.00 0.00 61.00 62.31 2k6z s PRO 63 Cb -0.01 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 2k6z s PRO 63 CO -0.00 -1.14 -0.01 0.14 0.04 0.00 0.00 177.00 176.03 2k6z s VAL 64 N -2.37 0.12 0.12 -0.36 -7.23 -0.00 -4.80 120.40 105.88 2k6z s VAL 64 Ca 0.66 -1.02 0.13 0.00 -1.81 0.00 0.00 61.98 59.94 2k6z s VAL 64 Cb -0.19 -0.49 -0.00 0.00 0.56 0.00 0.00 36.38 36.26 2k6z s VAL 64 CO 0.40 -0.56 1.54 1.55 -0.31 0.00 0.00 175.10 177.72 2k6z h PRO 65 N 4.35 0.00 -1.38 4.82 0.13 -1.95 -3.43 132.00 134.53 2k6z h PRO 65 Ca -0.32 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 65.10 2k6z h PRO 65 Cb 1.20 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.16 2k6z h PRO 65 CO 0.45 0.61 0.85 -0.59 -0.23 0.00 0.00 178.00 179.09 2k6z s PHE 66 N -3.27 -0.08 0.14 1.56 -0.12 -1.26 -4.63 117.98 110.31 2k6z s PHE 66 Ca 0.01 0.03 0.04 0.00 -0.05 0.00 0.00 56.93 56.96 2k6z s PHE 66 Cb 0.11 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.98 2k6z s PHE 66 CO 0.75 -0.19 0.13 -0.51 -0.05 0.00 0.00 175.22 175.35 2k6z s LEU 67 N -2.41 3.83 -0.02 -1.99 1.43 -0.20 -4.94 118.68 114.38 2k6z s LEU 67 Ca 0.11 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 2k6z s LEU 67 Cb 0.01 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 2k6z s LEU 67 CO -0.04 0.10 0.01 -0.70 0.23 0.00 0.00 176.35 175.95 2k6z s GLU 68 N -2.90 2.86 -0.04 1.70 2.56 -1.26 -0.08 118.70 121.53 2k6z s GLU 68 Ca 0.31 -0.56 -0.02 0.00 0.00 0.00 0.00 54.97 54.70 2k6z s GLU 68 Cb -0.11 -2.72 0.03 0.00 2.00 0.00 0.00 34.13 33.34 2k6z s GLU 68 CO 0.23 0.64 0.07 0.08 -0.56 0.00 0.00 175.26 175.72 2k6z s VAL 69 N -1.07 -0.12 0.74 3.70 1.01 0.18 -4.96 120.40 119.88 2k6z s VAL 69 Ca 0.19 0.38 -0.11 0.00 0.00 0.00 0.00 61.98 62.44 2k6z s VAL 69 Cb -0.12 -0.16 0.04 0.00 0.00 0.00 0.00 36.38 36.15 2k6z s VAL 69 CO 0.09 0.16 1.08 -2.16 0.00 0.00 0.00 175.10 174.27 2k6z s PRO 70 N 1.97 2.50 0.45 2.72 0.04 -1.26 -1.51 135.00 139.91 2k6z s PRO 70 Ca 0.02 1.12 -0.25 0.00 0.04 0.00 0.00 61.00 61.93 2k6z s PRO 70 Cb -0.12 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 2k6z s PRO 70 CO -0.03 -1.45 1.42 -1.25 0.04 0.00 0.00 177.00 175.72 2k6z s PRO 71 N -4.88 3.67 0.00 0.56 0.04 -1.26 -2.65 135.00 130.47 2k6z s PRO 71 Ca 0.61 2.40 0.00 0.00 0.04 0.00 0.00 61.00 64.05 2k6z s PRO 71 Cb -0.16 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.74 2k6z s PRO 71 CO 0.55 -0.82 0.00 1.63 0.04 0.00 0.00 177.00 178.39 2k6z n LYS 72 N -0.23 0.00 -1.90 4.56 4.76 0.23 -4.99 118.16 120.60 2k6z n LYS 72 Ca 0.05 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.19 2k6z n LYS 72 Cb 0.42 -3.40 0.05 0.00 -1.84 0.00 0.00 35.03 30.26 2k6z n LYS 72 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2k6z s GLY 73 N -2.00 1.62 0.00 0.72 0.00 -1.09 -4.87 107.32 101.71 2k6z s GLY 73 Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 44.72 44.31 2k6z s GLY 73 CO 0.00 -0.01 0.02 1.09 0.00 0.00 0.00 173.10 174.20 2k6z s ARG 74 N -5.39 0.22 0.09 2.90 1.04 -1.26 -0.80 118.95 115.75 2k6z s ARG 74 Ca 0.59 -0.29 -0.11 0.00 -1.04 0.00 0.00 55.73 54.88 2k6z s ARG 74 Cb -0.11 0.08 0.01 0.00 -2.04 0.00 0.00 34.95 32.89 2k6z s ARG 74 CO 0.51 -0.04 0.26 0.08 -0.04 0.00 0.00 175.30 176.07 2k6z s VAL 75 N -0.79 0.11 0.01 4.99 1.01 0.21 -5.01 120.40 120.94 2k6z s VAL 75 Ca -0.09 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 60.97 2k6z s VAL 75 Cb -0.05 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 2k6z s VAL 75 CO -0.00 -0.52 -0.07 -1.61 0.00 0.00 0.00 175.10 172.90 2k6z s GLU 76 N -3.56 0.54 -1.22 2.72 2.02 -1.26 -0.64 118.70 117.30 2k6z s GLU 76 Ca 0.02 -0.38 -0.20 0.00 0.02 0.00 0.00 54.97 54.43 2k6z s GLU 76 Cb 0.03 -0.48 -0.03 0.00 0.10 0.00 0.00 34.13 33.76 2k6z s GLU 76 CO -0.10 0.12 1.87 1.28 0.02 0.00 0.00 175.26 178.45 2k6z n LEU 77 N 2.53 4.01 -4.74 1.80 4.32 -0.36 -4.81 117.00 119.75 2k6z n LEU 77 Ca -0.15 -3.49 -0.36 0.00 -0.02 0.00 0.00 56.01 51.98 2k6z n LEU 77 Cb 0.57 -1.71 0.05 0.00 -1.62 0.00 0.00 43.42 40.72 2k6z n LEU 77 CO 0.24 -0.86 0.86 -1.59 -1.22 0.00 0.00 177.39 174.83 2k6z s LYS 78 N 5.38 2.70 0.11 3.23 -2.85 -0.98 -3.97 119.74 123.37 2k6z s LYS 78 Ca 0.61 1.91 -0.21 0.00 -1.00 0.00 0.00 55.97 57.28 2k6z s LYS 78 Cb 0.03 -1.88 -0.08 0.00 -2.06 0.00 0.00 37.83 33.83 2k6z s LYS 78 CO 0.10 -1.44 1.73 -1.00 0.10 0.00 0.00 175.35 174.85 2k6z h PRO 79 N 0.60 0.04 -2.85 1.78 0.13 -1.90 -2.75 132.00 127.05 2k6z h PRO 79 Ca -0.50 -0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.05 2k6z h PRO 79 Cb 1.31 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.45 2k6z h PRO 79 CO 0.54 0.03 3.09 0.41 -0.23 0.00 0.00 178.00 181.83 2k6z n GLY 80 N -1.14 3.98 0.00 1.56 0.00 -1.26 -4.74 105.19 103.58 2k6z n GLY 80 Ca -0.04 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.56 2k6z n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6z n GLY 81 N 3.41 -0.52 3.76 -0.02 0.00 -1.05 -4.93 105.19 105.83 2k6z n GLY 81 Ca 0.71 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 46.30 2k6z n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k6z s TYR 82 N 0.00 3.48 -0.05 1.61 2.02 -1.14 -1.33 117.35 121.94 2k6z s TYR 82 Ca 0.00 1.60 -0.30 0.00 -0.37 0.00 0.00 57.07 58.01 2k6z s TYR 82 Cb 0.00 -3.37 0.09 0.00 -0.40 0.00 0.00 41.96 38.28 2k6z s TYR 82 CO 0.00 -0.86 0.76 -3.38 -1.57 0.00 0.00 175.55 170.50 2k6z s HIS 83 N -0.91 -0.55 0.30 2.71 -3.43 -0.50 -2.32 115.29 110.59 2k6z s HIS 83 Ca 0.47 0.84 -0.26 0.00 -0.80 0.00 0.00 55.06 55.31 2k6z s HIS 83 Cb -0.33 0.45 -0.10 0.00 -1.43 0.00 0.00 32.58 31.17 2k6z s HIS 83 CO 0.42 -0.57 0.92 -0.06 -2.00 0.00 0.00 174.74 173.44 2k6z s PHE 84 N -1.64 3.74 -0.23 0.38 0.08 -1.00 -1.02 117.98 118.29 2k6z s PHE 84 Ca -0.06 1.77 -0.14 0.00 0.12 0.00 0.00 56.93 58.62 2k6z s PHE 84 Cb -0.00 -2.90 -0.04 0.00 -0.57 0.00 0.00 43.02 39.50 2k6z s PHE 84 CO 0.04 0.26 0.32 1.41 -0.10 0.00 0.00 175.22 177.15 2k6z s MET 85 N -1.91 4.11 -0.23 0.44 1.75 0.04 -1.03 119.30 122.47 2k6z s MET 85 Ca 0.48 0.03 -0.05 0.00 -1.25 0.00 0.00 55.69 54.89 2k6z s MET 85 Cb -0.20 -3.56 -0.02 0.00 2.84 0.00 0.00 34.83 33.89 2k6z s MET 85 CO 0.25 -0.06 0.01 -0.51 -0.65 0.00 0.00 175.02 174.05 2k6z s LEU 86 N 1.41 3.16 0.16 4.11 1.02 0.13 -0.69 118.68 127.98 2k6z s LEU 86 Ca 0.15 -0.30 0.05 0.00 0.02 0.00 0.00 54.13 54.05 2k6z s LEU 86 Cb -0.15 -1.82 -0.04 0.00 0.02 0.00 0.00 46.19 44.20 2k6z s LEU 86 CO 0.07 -0.02 0.11 -0.76 0.02 0.00 0.00 176.35 175.78 2k6z s LEU 87 N 1.50 3.73 0.00 1.79 2.01 -0.16 -0.21 118.68 127.34 2k6z s LEU 87 Ca 0.06 -0.17 0.00 0.00 0.01 0.00 0.00 54.13 54.03 2k6z s LEU 87 Cb -0.15 -2.35 0.00 0.00 0.01 0.00 0.00 46.19 43.71 2k6z s LEU 87 CO 0.00 0.08 0.00 0.61 1.01 0.00 0.00 176.35 178.05 2k6z n GLY 88 N -0.28 1.29 1.22 -3.19 0.00 -0.92 -1.73 105.19 101.57 2k6z n GLY 88 Ca -0.09 -0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.07 2k6z n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k6z n LEU 89 N 0.00 -0.68 -0.01 0.99 4.77 -1.24 -4.72 117.00 116.12 2k6z n LEU 89 Ca 0.00 1.56 0.01 0.00 -0.03 0.00 0.00 56.01 57.54 2k6z n LEU 89 Cb 0.00 -3.69 -0.03 0.00 -2.33 0.00 0.00 43.42 37.37 2k6z n LEU 89 CO 0.00 -2.14 -0.56 0.29 -1.33 0.00 0.00 177.39 173.64 2k6z n LYS 90 N -3.77 1.32 -4.04 3.23 4.76 -0.52 -4.63 118.16 114.51 2k6z n LYS 90 Ca -0.04 -0.02 -0.12 0.00 -2.87 0.00 0.00 58.31 55.27 2k6z n LYS 90 Cb 0.62 -1.08 -0.11 0.00 -1.84 0.00 0.00 35.03 32.61 2k6z n LYS 90 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2k6z s ARG 91 N -2.18 0.45 0.39 1.97 1.70 -1.26 -5.11 118.95 114.91 2k6z s ARG 91 Ca -0.01 -0.70 -0.26 0.00 -0.47 0.00 0.00 55.73 54.28 2k6z s ARG 91 Cb 0.02 -0.16 -0.09 0.00 -0.57 0.00 0.00 34.95 34.15 2k6z s ARG 91 CO 0.14 0.02 1.24 -1.25 -1.08 0.00 0.00 175.30 174.37 2k6z s PRO 92 N -1.52 4.09 0.84 3.89 0.04 -1.26 -4.83 135.00 136.25 2k6z s PRO 92 Ca -0.12 2.02 -0.09 0.00 0.04 0.00 0.00 61.00 62.85 2k6z s PRO 92 Cb -0.10 -2.80 0.16 0.00 0.04 0.00 0.00 34.50 31.80 2k6z s PRO 92 CO -0.00 -0.34 1.17 -0.51 0.04 0.00 0.00 177.00 177.35 2k6z s LEU 93 N -2.31 2.82 0.48 -3.56 2.01 -0.47 -5.02 118.68 112.63 2k6z s LEU 93 Ca 0.55 0.06 0.03 0.00 0.01 0.00 0.00 54.13 54.78 2k6z s LEU 93 Cb -0.35 -2.28 -0.03 0.00 0.01 0.00 0.00 46.19 43.53 2k6z s LEU 93 CO 0.45 -2.28 0.01 -0.54 1.01 0.00 0.00 176.35 175.00 2k6z s LYS 94 N -5.54 2.12 -0.10 1.70 -0.14 -1.26 -4.86 119.74 111.65 2k6z s LYS 94 Ca 0.69 -2.32 -0.26 0.00 -1.36 0.00 0.00 55.97 52.73 2k6z s LYS 94 Cb -0.05 -1.50 -0.02 0.00 -1.68 0.00 0.00 37.83 34.58 2k6z s LYS 94 CO 0.49 -0.29 0.82 0.00 -0.76 0.00 0.00 175.35 175.61 2k6z s ALA 95 N -2.86 3.39 0.00 5.17 0.00 -1.26 -4.26 121.76 121.94 2k6z s ALA 95 Ca 0.14 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.27 2k6z s ALA 95 Cb 0.04 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2k6z s ALA 95 CO 0.07 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.85 2k6z n GLY 96 N 3.23 0.81 2.51 0.00 0.00 -0.16 -5.02 105.19 106.56 2k6z n GLY 96 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 2k6z n GLY 96 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k6z n GLU 97 N -2.01 -1.25 -4.60 1.61 1.02 -1.26 -4.89 120.64 109.27 2k6z n GLU 97 Ca 0.00 -1.32 -0.27 0.00 -0.02 0.00 0.00 57.16 55.55 2k6z n GLU 97 Cb 0.00 -0.96 -0.11 0.00 -0.02 0.00 0.00 31.44 30.36 2k6z n GLU 97 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2k6z s GLU 98 N -4.87 1.93 -0.12 3.49 1.03 -1.26 0.14 118.70 119.04 2k6z s GLU 98 Ca 0.50 -2.10 -0.14 0.00 0.03 0.00 0.00 54.97 53.26 2k6z s GLU 98 Cb -0.02 -1.52 0.03 0.00 -0.80 0.00 0.00 34.13 31.82 2k6z s GLU 98 CO 0.35 -0.09 0.37 0.08 -1.33 0.00 0.00 175.26 174.65 2k6z s VAL 99 N -2.80 0.01 -0.20 1.83 1.01 0.15 -4.74 120.40 115.66 2k6z s VAL 99 Ca 0.34 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.18 2k6z s VAL 99 Cb 0.09 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 2k6z s VAL 99 CO 0.17 -0.04 0.03 -1.83 0.00 0.00 0.00 175.10 173.43 2k6z s GLU 100 N -0.07 3.77 -0.03 2.72 4.04 -1.26 -1.46 118.70 126.41 2k6z s GLU 100 Ca -0.02 -0.45 0.05 0.00 0.04 0.00 0.00 54.97 54.59 2k6z s GLU 100 Cb -0.03 -3.16 -0.03 0.00 0.02 0.00 0.00 34.13 30.93 2k6z s GLU 100 CO 0.01 0.10 -0.17 -0.51 -1.84 0.00 0.00 175.26 172.85 2k6z s LEU 101 N 0.82 2.61 0.12 1.83 1.02 -0.35 -4.44 118.68 120.29 2k6z s LEU 101 Ca 0.02 -0.27 -0.23 0.00 0.02 0.00 0.00 54.13 53.67 2k6z s LEU 101 Cb -0.14 -1.52 -0.07 0.00 0.02 0.00 0.00 46.19 44.48 2k6z s LEU 101 CO 0.02 0.33 0.70 -1.81 0.02 0.00 0.00 176.35 175.62 2k6z s ASP 102 N -0.82 7.26 -0.10 2.29 1.01 0.32 -0.70 116.67 125.93 2k6z s ASP 102 Ca 0.12 1.49 0.04 0.00 0.71 0.00 0.00 52.55 54.91 2k6z s ASP 102 Cb -0.10 -2.45 -0.00 0.00 1.01 0.00 0.00 42.92 41.37 2k6z s ASP 102 CO 0.01 0.21 -0.22 -0.76 0.21 0.00 0.00 175.17 174.62 2k6z s LEU 103 N -0.99 2.21 -0.25 1.23 1.02 0.11 -1.10 118.68 120.91 2k6z s LEU 103 Ca 0.34 -0.50 -0.04 0.00 0.02 0.00 0.00 54.13 53.95 2k6z s LEU 103 Cb -0.22 -1.44 0.01 0.00 0.02 0.00 0.00 46.19 44.56 2k6z s LEU 103 CO 0.23 0.18 -0.02 -0.76 0.02 0.00 0.00 176.35 176.00 2k6z s LEU 104 N 0.23 3.23 -0.09 1.79 1.43 0.02 -1.88 118.68 123.40 2k6z s LEU 104 Ca -0.14 -0.66 0.03 0.00 -1.03 0.00 0.00 54.13 52.33 2k6z s LEU 104 Cb -0.17 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 2k6z s LEU 104 CO 0.07 -0.10 -0.18 -0.36 0.23 0.00 0.00 176.35 176.01 2k6z s PHE 105 N 1.42 2.65 0.53 0.29 0.08 -0.84 -1.07 117.98 121.05 2k6z s PHE 105 Ca 0.03 -0.67 0.32 0.00 0.12 0.00 0.00 56.93 56.72 2k6z s PHE 105 Cb -0.16 -1.72 1.80 0.00 -0.57 0.00 0.00 43.02 42.36 2k6z s PHE 105 CO -0.02 -0.20 2.21 0.00 -0.10 0.00 0.00 175.22 177.11 2k6z h ALA 106 N 6.34 1.34 0.00 5.36 0.00 -1.44 -3.19 119.26 127.67 2k6z h ALA 106 Ca -0.29 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2k6z h ALA 106 Cb 1.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2k6z h ALA 106 CO 0.51 0.05 -0.06 0.41 0.00 0.00 0.00 179.25 180.15 2k6z n GLY 107 N -1.03 2.48 2.20 0.00 0.00 -1.26 -4.75 105.19 102.83 2k6z n GLY 107 Ca -0.02 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 2k6z n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6z n GLY 108 N 1.72 0.64 3.02 -0.02 0.00 -1.22 -4.97 105.19 104.36 2k6z n GLY 108 Ca 0.08 -0.64 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 2k6z n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k6z s LYS 109 N -3.30 0.51 0.01 1.61 1.02 -1.21 -5.09 119.74 113.29 2k6z s LYS 109 Ca 0.00 -0.51 0.05 0.00 0.02 0.00 0.00 55.97 55.53 2k6z s LYS 109 Cb 0.00 -0.38 -0.01 0.00 -0.52 0.00 0.00 37.83 36.92 2k6z s LYS 109 CO 0.00 0.09 -0.14 0.08 -0.92 0.00 0.00 175.35 174.45 2k6z s VAL 110 N -0.80 1.14 0.23 3.17 1.01 -1.26 -1.99 120.40 121.89 2k6z s VAL 110 Ca -0.04 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.20 2k6z s VAL 110 Cb -0.06 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 2k6z s VAL 110 CO 0.00 0.22 0.18 -0.22 0.00 0.00 0.00 175.10 175.28 2k6z s LEU 111 N -0.60 1.25 0.07 3.92 2.96 -0.79 -4.99 118.68 120.49 2k6z s LEU 111 Ca 0.04 -1.46 0.04 0.00 -0.22 0.00 0.00 54.13 52.54 2k6z s LEU 111 Cb -0.06 0.47 -0.03 0.00 0.50 0.00 0.00 46.19 47.07 2k6z s LEU 111 CO 0.00 -0.90 -0.11 -0.54 -1.32 0.00 0.00 176.35 173.47 2k6z s LYS 112 N -3.99 0.73 0.08 1.98 3.01 -1.26 -0.71 119.74 119.57 2k6z s LYS 112 Ca 0.39 -0.93 0.01 0.00 -1.01 0.00 0.00 55.97 54.43 2k6z s LYS 112 Cb 0.06 -0.61 -0.04 0.00 -1.01 0.00 0.00 37.83 36.23 2k6z s LYS 112 CO 0.15 0.12 -0.06 0.08 0.51 0.00 0.00 175.35 176.16 2k6z s VAL 113 N -1.51 0.56 -0.17 3.17 1.01 0.12 -4.97 120.40 118.61 2k6z s VAL 113 Ca -0.03 -1.71 0.01 0.00 0.00 0.00 0.00 61.98 60.25 2k6z s VAL 113 Cb -0.09 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.92 2k6z s VAL 113 CO 0.01 -0.79 -0.20 -0.69 0.00 0.00 0.00 175.10 173.44 2k6z s VAL 114 N -3.16 2.04 0.05 2.92 1.01 -1.26 -1.21 120.40 120.78 2k6z s VAL 114 Ca 0.06 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.19 2k6z s VAL 114 Cb 0.02 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 2k6z s VAL 114 CO -0.05 0.54 -0.23 -0.76 0.00 0.00 0.00 175.10 174.60 2k6z s LEU 115 N 1.22 2.18 0.77 3.92 2.01 -0.53 -5.00 118.68 123.26 2k6z s LEU 115 Ca 0.03 -0.57 -0.11 0.00 0.01 0.00 0.00 54.13 53.49 2k6z s LEU 115 Cb -0.13 -1.08 0.06 0.00 0.01 0.00 0.00 46.19 45.04 2k6z s LEU 115 CO -0.11 0.19 1.09 -2.16 1.01 0.00 0.00 176.35 176.37 2k6z s PRO 116 N -1.29 2.28 -0.28 1.29 0.04 -1.26 -0.68 135.00 135.10 2k6z s PRO 116 Ca 0.09 0.67 -0.11 0.00 0.04 0.00 0.00 61.00 61.69 2k6z s PRO 116 Cb -0.09 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2k6z s PRO 116 CO 0.02 -1.49 0.18 0.08 0.04 0.00 0.00 177.00 175.83 2k6z s VAL 117 N -3.16 5.16 -0.02 -0.36 1.01 0.12 -0.35 120.40 122.81 2k6z s VAL 117 Ca 0.60 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.71 2k6z s VAL 117 Cb -0.14 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 2k6z s VAL 117 CO 0.54 0.24 -0.13 -1.61 0.00 0.00 0.00 175.10 174.14 2k6z s GLU 118 N 1.74 1.18 -1.33 2.72 2.02 -1.01 -0.98 118.70 123.03 2k6z s GLU 118 Ca 0.07 -0.47 -0.10 0.00 0.02 0.00 0.00 54.97 54.49 2k6z s GLU 118 Cb -0.16 -1.11 0.13 0.00 0.10 0.00 0.00 34.13 33.09 2k6z s GLU 118 CO 0.10 0.25 2.03 0.00 0.02 0.00 0.00 175.26 177.65 2k6z n ALA 119 N 2.93 5.62 -0.67 5.21 0.00 -1.26 -4.00 120.51 128.34 2k6z n ALA 119 Ca -0.16 -4.19 0.00 0.00 0.00 0.00 0.00 53.44 49.09 2k6z n ALA 119 Cb 0.55 -3.07 0.00 0.00 0.00 0.00 0.00 19.45 16.92 2k6z n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04