#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f21 s ALA 2 N 0.00 3.26 0.00 3.04 0.00 -1.26 -4.57 121.76 122.23 2f21 s ALA 2 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.89 2f21 s ALA 2 Cb 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.99 2f21 s ALA 2 CO 0.00 -0.40 0.00 -3.47 0.00 0.00 0.00 175.76 171.89 2f21 n ASP 3 N 4.75 -2.75 -3.75 0.00 -0.08 -1.26 -4.85 116.55 108.62 2f21 n ASP 3 Ca -0.16 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 52.99 2f21 n ASP 3 Cb 0.52 -2.13 -0.09 0.00 2.34 0.00 0.00 41.12 41.76 2f21 n ASP 3 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 2f21 s GLU 4 N -1.07 0.60 -0.29 -0.67 2.12 -1.26 -5.05 118.70 113.08 2f21 s GLU 4 Ca 0.00 0.09 0.15 0.00 0.36 0.00 0.00 54.97 55.56 2f21 s GLU 4 Cb 0.00 0.27 0.48 0.00 0.26 0.00 0.00 34.13 35.14 2f21 s GLU 4 CO 0.00 -0.14 1.13 -0.85 -0.54 0.00 0.00 175.26 174.86 2f21 n GLU 5 N 1.85 2.62 -1.76 4.30 0.28 -1.26 -2.92 120.64 123.76 2f21 n GLU 5 Ca -0.18 -3.85 -0.39 0.00 -0.16 0.00 0.00 57.16 52.58 2f21 n GLU 5 Cb 0.57 -1.92 0.03 0.00 1.43 0.00 0.00 31.44 31.55 2f21 n GLU 5 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2f21 n LYS 6 N -0.60 1.99 -2.21 3.44 5.02 -1.26 -4.62 118.16 119.91 2f21 n LYS 6 Ca 0.25 0.72 -0.37 0.00 -2.02 0.00 0.00 58.31 56.89 2f21 n LYS 6 Cb 0.86 -2.62 -0.00 0.00 -0.02 0.00 0.00 35.03 33.25 2f21 n LYS 6 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2f21 s LEU 7 N -3.13 3.96 1.00 -0.35 1.43 -1.26 -4.80 118.68 115.53 2f21 s LEU 7 Ca 0.67 2.33 -0.12 0.00 -1.03 0.00 0.00 54.13 55.97 2f21 s LEU 7 Cb -0.43 -4.29 0.19 0.00 0.03 0.00 0.00 46.19 41.68 2f21 s LEU 7 CO 0.53 -1.02 1.08 -2.84 0.23 0.00 0.00 176.35 174.33 2f21 s PRO 8 N -2.80 0.45 -0.02 1.29 0.02 -1.26 -4.84 135.00 127.83 2f21 s PRO 8 Ca 0.66 0.71 -0.38 0.00 0.02 0.00 0.00 61.00 62.01 2f21 s PRO 8 Cb -0.29 -1.72 -0.16 0.00 0.02 0.00 0.00 34.50 32.35 2f21 s PRO 8 CO 0.35 -2.77 1.49 -2.30 -0.33 0.00 0.00 177.00 173.44 2f21 n PRO 9 N -4.23 1.23 0.00 5.54 -0.02 -1.26 -1.62 135.00 134.64 2f21 n PRO 9 Ca 0.06 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2f21 n PRO 9 Cb 0.56 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2f21 n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2f21 n GLY 10 N 3.12 2.61 3.78 -1.23 0.00 -1.26 -4.94 105.19 107.27 2f21 n GLY 10 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2f21 n GLY 10 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2f21 s TRP 11 N -2.17 3.83 0.02 1.61 0.52 -0.64 -0.66 118.94 121.45 2f21 s TRP 11 Ca 0.00 1.66 -0.10 0.00 0.02 0.00 0.00 56.10 57.68 2f21 s TRP 11 Cb 0.00 -2.80 0.01 0.00 -1.15 0.00 0.00 33.47 29.53 2f21 s TRP 11 CO 0.00 0.41 0.21 -2.00 0.02 0.00 0.00 176.95 175.59 2f21 s GLU 12 N -1.50 0.65 -0.10 4.98 2.12 0.36 -4.82 118.70 120.40 2f21 s GLU 12 Ca 0.41 -0.50 -0.20 0.00 0.36 0.00 0.00 54.97 55.04 2f21 s GLU 12 Cb -0.21 0.27 -0.04 0.00 0.26 0.00 0.00 34.13 34.41 2f21 s GLU 12 CO 0.26 -0.18 0.57 0.21 -0.54 0.00 0.00 175.26 175.58 2f21 s LYS 13 N -2.10 4.38 0.36 4.30 2.20 -1.26 -1.09 119.74 126.53 2f21 s LYS 13 Ca -0.09 0.63 0.04 0.00 -0.36 0.00 0.00 55.97 56.19 2f21 s LYS 13 Cb -0.03 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 32.81 2f21 s LYS 13 CO -0.01 0.11 0.13 1.03 -0.36 0.00 0.00 175.35 176.24 2f21 s ARG 14 N 0.74 1.79 -0.14 4.03 1.81 0.03 -4.97 118.95 122.24 2f21 s ARG 14 Ca 0.31 -2.05 0.01 0.00 -1.72 0.00 0.00 55.73 52.27 2f21 s ARG 14 Cb -0.16 -0.49 -0.00 0.00 -0.45 0.00 0.00 34.95 33.85 2f21 s ARG 14 CO 0.13 -0.43 -0.17 1.41 -0.68 0.00 0.00 175.30 175.57 2f21 s MET 15 N -3.77 3.18 0.76 3.54 -2.45 -1.26 -1.16 119.30 118.15 2f21 s MET 15 Ca 0.30 -0.77 -0.11 0.00 -1.25 0.00 0.00 55.69 53.85 2f21 s MET 15 Cb 0.04 -2.55 0.05 0.00 1.25 0.00 0.00 34.83 33.62 2f21 s MET 15 CO 0.16 0.06 1.08 -1.54 1.05 0.00 0.00 175.02 175.83 2f21 s SER 16 N 0.69 4.67 0.55 1.11 1.04 0.04 -4.92 113.70 116.88 2f21 s SER 16 Ca -0.08 1.72 0.21 0.00 0.48 0.00 0.00 55.95 58.28 2f21 s SER 16 Cb -0.16 -2.47 1.48 0.00 0.10 0.00 0.00 66.02 64.97 2f21 s SER 16 CO 0.02 -1.92 2.19 0.00 0.98 0.00 0.00 173.24 174.51 2f21 h ALA 17 N -1.05 1.82 -0.61 5.32 0.00 -2.00 -1.95 119.26 120.79 2f21 h ALA 17 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2f21 h ALA 17 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2f21 h ALA 17 CO 0.53 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.38 2f21 n ASP 18 N -4.28 3.85 0.00 0.00 5.68 -1.26 -4.96 116.55 115.58 2f21 n ASP 18 Ca -0.03 -2.20 0.00 0.00 -0.50 0.00 0.00 54.79 52.06 2f21 n ASP 18 Cb 0.09 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 39.58 2f21 n ASP 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2f21 n GLY 20 N 1.29 0.83 3.24 6.12 0.00 -0.73 -5.10 105.19 110.83 2f21 n GLY 20 Ca 0.22 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 2f21 n GLY 20 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2f21 s ARG 21 N -0.58 1.59 0.42 1.61 3.52 -1.26 -4.89 118.95 119.35 2f21 s ARG 21 Ca 0.00 -0.82 -0.25 0.00 -0.13 0.00 0.00 55.73 54.53 2f21 s ARG 21 Cb 0.00 -1.60 -0.08 0.00 -1.56 0.00 0.00 34.95 31.71 2f21 s ARG 21 CO 0.00 0.43 1.26 0.08 -0.81 0.00 0.00 175.30 176.26 2f21 s VAL 22 N -0.60 2.74 0.31 7.11 1.01 -1.26 -0.78 120.40 128.92 2f21 s VAL 22 Ca 0.08 0.64 -0.02 0.00 0.00 0.00 0.00 61.98 62.68 2f21 s VAL 22 Cb -0.08 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 2f21 s VAL 22 CO 0.00 0.07 0.39 -0.72 0.00 0.00 0.00 175.10 174.84 2f21 s TYR 23 N -1.33 1.13 -0.04 5.22 1.13 -0.31 -4.85 117.35 118.30 2f21 s TYR 23 Ca 0.59 -1.31 0.06 0.00 -1.41 0.00 0.00 57.07 55.00 2f21 s TYR 23 Cb -0.36 -0.25 -0.01 0.00 -1.10 0.00 0.00 41.96 40.25 2f21 s TYR 23 CO 0.45 -0.99 -0.23 0.71 -2.51 0.00 0.00 175.55 172.98 2f21 s TYR 24 N -3.41 2.19 -0.03 -3.49 1.51 0.17 -0.79 117.35 113.50 2f21 s TYR 24 Ca 0.33 -0.59 0.05 0.00 -1.01 0.00 0.00 57.07 55.84 2f21 s TYR 24 Cb 0.01 -1.44 -0.01 0.00 -0.11 0.00 0.00 41.96 40.42 2f21 s TYR 24 CO 0.19 -0.16 -0.18 0.12 -1.11 0.00 0.00 175.55 174.41 2f21 s PHE 25 N -0.21 1.75 -0.29 2.71 5.36 -0.25 -1.10 117.98 125.95 2f21 s PHE 25 Ca -0.01 -0.44 -0.08 0.00 -0.96 0.00 0.00 56.93 55.44 2f21 s PHE 25 Cb -0.12 -1.16 -0.01 0.00 -0.34 0.00 0.00 43.02 41.40 2f21 s PHE 25 CO 0.02 -0.12 0.11 1.21 -1.46 0.00 0.00 175.22 174.99 2f21 s ASN 26 N -0.16 5.33 0.00 6.13 3.84 -0.27 -0.49 114.94 129.32 2f21 s ASN 26 Ca 0.00 -0.52 0.27 0.00 0.21 0.00 0.00 52.86 52.82 2f21 s ASN 26 Cb -0.10 -1.95 1.52 0.00 -0.55 0.00 0.00 41.25 40.17 2f21 s ASN 26 CO 0.01 -0.16 1.93 0.00 -2.79 0.00 0.00 177.10 176.09 2f21 n HIS 27 N 4.93 0.00 -0.12 0.43 1.44 0.16 0.07 115.22 122.13 2f21 n HIS 27 Ca -0.15 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.37 2f21 n HIS 27 Cb 0.49 -0.08 -0.11 0.00 0.12 0.00 0.00 29.99 30.41 2f21 n HIS 27 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 2f21 n ILE 28 N -1.08 1.40 0.60 0.61 5.41 -1.26 -4.56 119.36 120.47 2f21 n ILE 28 Ca 0.18 -0.49 0.11 0.00 1.00 0.00 0.00 62.75 63.55 2f21 n ILE 28 Cb 0.13 -1.49 -0.04 0.00 -0.71 0.00 0.00 39.64 37.52 2f21 n ILE 28 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2f21 n THR 29 N -3.46 0.09 -1.35 1.39 -2.24 -1.22 -4.14 114.28 103.35 2f21 n THR 29 Ca -0.45 -0.21 -0.12 0.00 -2.27 0.00 0.00 64.05 60.99 2f21 n THR 29 Cb 0.93 0.38 -0.05 0.00 -2.10 0.00 0.00 70.33 69.49 2f21 n THR 29 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2f21 n ASN 30 N -1.88 -4.63 -4.80 3.42 3.02 0.11 -0.85 115.26 109.66 2f21 n ASN 30 Ca 0.02 0.30 -0.35 0.00 -0.03 0.00 0.00 54.58 54.52 2f21 n ASN 30 Cb 0.43 -3.20 -0.06 0.00 -0.61 0.00 0.00 39.78 36.34 2f21 n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2f21 s ALA 31 N -2.40 3.09 -0.03 5.41 0.00 -1.21 -3.81 121.76 122.81 2f21 s ALA 31 Ca 0.00 0.53 0.03 0.00 0.00 0.00 0.00 51.96 52.52 2f21 s ALA 31 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.92 2f21 s ALA 31 CO 0.00 0.02 -0.11 -1.12 0.00 0.00 0.00 175.76 174.55 2f21 s SER 32 N -1.83 1.49 -0.01 0.00 0.01 -1.26 -1.12 113.70 110.98 2f21 s SER 32 Ca 0.58 -0.24 -0.22 0.00 1.31 0.00 0.00 55.95 57.38 2f21 s SER 32 Cb -0.16 -0.44 0.04 0.00 0.21 0.00 0.00 66.02 65.68 2f21 s SER 32 CO 0.21 0.08 0.47 0.00 0.41 0.00 0.00 173.24 174.41 2f21 s GLN 33 N 0.21 0.88 0.18 12.44 -2.07 -0.26 -5.00 119.66 126.04 2f21 s GLN 33 Ca -0.04 -0.06 -0.02 0.00 -1.82 0.00 0.00 55.36 53.41 2f21 s GLN 33 Cb -0.10 0.40 0.06 0.00 -1.09 0.00 0.00 33.01 32.28 2f21 s GLN 33 CO 0.01 -0.27 1.44 -1.49 -1.32 0.00 0.00 175.29 173.66 2f21 h TRP 34 N 3.34 0.59 -3.20 9.60 -0.00 -1.90 0.51 115.95 124.90 2f21 h TRP 34 Ca -0.29 -0.25 -0.53 0.00 -0.00 0.00 0.00 58.89 57.82 2f21 h TRP 34 Cb 1.17 -0.09 0.01 0.00 -0.00 0.00 0.00 29.16 30.25 2f21 h TRP 34 CO 0.44 1.01 0.60 -1.21 -0.00 0.00 0.00 178.44 179.28 2f21 s GLU 35 N -3.68 4.41 0.18 0.49 8.01 -1.26 -4.61 118.70 122.24 2f21 s GLU 35 Ca -0.06 1.87 -0.33 0.00 0.01 0.00 0.00 54.97 56.46 2f21 s GLU 35 Cb 0.10 -3.30 -0.13 0.00 -4.31 0.00 0.00 34.13 26.50 2f21 s GLU 35 CO 0.84 -0.27 1.68 -2.13 0.01 0.00 0.00 175.26 175.38 2f21 n ARG 36 N 3.66 2.54 0.00 1.61 0.63 -1.26 -4.76 116.66 119.09 2f21 n ARG 36 Ca 0.09 0.92 0.08 0.00 -0.92 0.00 0.00 57.85 58.01 2f21 n ARG 36 Cb 0.45 -2.74 0.40 0.00 0.45 0.00 0.00 32.46 31.02 2f21 n ARG 36 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2f21 n PRO 37 N 3.85 0.23 -3.87 -0.14 -0.04 -1.26 -4.86 135.00 128.91 2f21 n PRO 37 Ca 0.17 0.13 -0.09 0.00 -0.04 0.00 0.00 63.50 63.67 2f21 n PRO 37 Cb 0.33 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.28 2f21 n PRO 37 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2f21 s SER 38 N -2.56 -0.03 0.00 3.54 1.04 -1.26 -4.84 113.70 109.59 2f21 s SER 38 Ca 0.15 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.63 2f21 s SER 38 Cb 0.11 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.99 2f21 s SER 38 CO 0.24 -1.47 0.00 0.61 0.98 0.00 0.00 173.24 173.60 2f21 n GLY 39 N -0.49 0.88 0.00 7.32 0.00 -1.26 -5.01 105.19 106.62 2f21 n GLY 39 Ca -0.05 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2f21 n GLY 39 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2f21 n GLN 49 N 0.00 0.00 -1.98 1.61 7.27 -1.26 -4.95 117.38 118.07 2f21 n GLN 49 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.78 2f21 n GLN 49 Cb 0.00 0.00 0.12 0.00 2.41 0.00 0.00 30.24 32.77 2f21 n GLN 49 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 2f21 s GLY 50 N 0.00 1.68 0.87 1.69 0.00 -1.26 -5.08 107.32 105.22 2f21 s GLY 50 Ca 0.00 -0.92 -0.13 0.00 0.00 0.00 0.00 44.72 43.67 2f21 s GLY 50 CO 0.00 -0.34 1.20 -1.83 0.00 0.00 0.00 173.10 172.13 2f21 s GLU 51 N -5.63 1.45 0.70 2.90 -1.05 -1.26 -5.02 118.70 110.78 2f21 s GLU 51 Ca 0.66 0.02 -0.14 0.00 -0.15 0.00 0.00 54.97 55.36 2f21 s GLU 51 Cb -0.08 -1.90 0.02 0.00 -0.44 0.00 0.00 34.13 31.73 2f21 s GLU 51 CO 0.50 -1.94 1.14 -1.25 0.95 0.00 0.00 175.26 174.66 2f21 s PRO 52 N -5.60 2.49 0.29 -4.83 0.04 -1.26 -4.93 135.00 121.20 2f21 s PRO 52 Ca 0.65 1.49 0.15 0.00 0.04 0.00 0.00 61.00 63.33 2f21 s PRO 52 Cb -0.10 -1.90 0.23 0.00 0.04 0.00 0.00 34.50 32.76 2f21 s PRO 52 CO 0.51 -1.51 1.52 0.00 0.04 0.00 0.00 177.00 177.55 2f21 h ALA 53 N -0.24 0.73 -2.27 8.56 0.00 -1.97 -3.46 119.26 120.61 2f21 h ALA 53 Ca -0.47 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 53.89 2f21 h ALA 53 Cb 1.26 -0.08 -0.19 0.00 0.00 0.00 0.00 17.79 18.78 2f21 h ALA 53 CO 0.52 0.65 -0.01 0.50 0.00 0.00 0.00 179.25 180.91 2f21 s ARG 54 N -3.13 0.91 0.05 0.00 3.52 -1.26 -4.61 118.95 114.42 2f21 s ARG 54 Ca 0.02 0.01 -0.00 0.00 -0.13 0.00 0.00 55.73 55.63 2f21 s ARG 54 Cb 0.09 0.42 -0.04 0.00 -1.56 0.00 0.00 34.95 33.86 2f21 s ARG 54 CO 0.74 -0.28 -0.04 0.14 -0.81 0.00 0.00 175.30 175.05 2f21 s VAL 55 N -1.45 0.29 -0.11 7.11 -7.23 -0.94 -4.97 120.40 113.09 2f21 s VAL 55 Ca -0.11 -1.68 0.03 0.00 -1.81 0.00 0.00 61.98 58.40 2f21 s VAL 55 Cb -0.02 -1.34 -0.00 0.00 0.56 0.00 0.00 36.38 35.57 2f21 s VAL 55 CO 0.06 -0.89 -0.20 -0.60 -0.31 0.00 0.00 175.10 173.15 2f21 s ARG 56 N -3.50 3.14 0.07 4.82 3.52 -1.26 -1.02 118.95 124.73 2f21 s ARG 56 Ca 0.04 -0.82 0.01 0.00 -0.13 0.00 0.00 55.73 54.84 2f21 s ARG 56 Cb 0.05 -2.42 -0.04 0.00 -1.56 0.00 0.00 34.95 30.98 2f21 s ARG 56 CO -0.08 0.16 -0.06 0.00 -0.81 0.00 0.00 175.30 174.51 2f21 s SER 58 N -2.50 3.72 0.13 0.00 1.04 -0.08 -1.03 113.70 114.99 2f21 s SER 58 Ca 0.03 -0.89 -0.12 0.00 0.48 0.00 0.00 55.95 55.45 2f21 s SER 58 Cb 0.00 -0.39 0.01 0.00 0.10 0.00 0.00 66.02 65.74 2f21 s SER 58 CO -0.04 0.07 0.32 -1.38 0.98 0.00 0.00 173.24 173.19 2f21 s HIS 59 N -2.14 0.04 -0.17 5.02 -3.43 0.01 -0.98 115.29 113.64 2f21 s HIS 59 Ca 0.27 -0.41 0.00 0.00 -0.80 0.00 0.00 55.06 54.12 2f21 s HIS 59 Cb -0.06 0.11 0.03 0.00 -1.43 0.00 0.00 32.58 31.22 2f21 s HIS 59 CO 0.14 -0.67 -0.12 -1.17 -2.00 0.00 0.00 174.74 170.92 2f21 s LEU 60 N -2.86 1.89 -0.13 5.38 0.20 -0.23 -4.50 118.68 118.43 2f21 s LEU 60 Ca 0.07 -0.64 -0.04 0.00 0.69 0.00 0.00 54.13 54.21 2f21 s LEU 60 Cb 0.03 -1.17 -0.03 0.00 -0.43 0.00 0.00 46.19 44.58 2f21 s LEU 60 CO -0.08 -0.10 0.01 -0.22 -0.29 0.00 0.00 176.35 175.67 2f21 s LEU 61 N 1.47 3.57 -0.24 -0.68 2.96 -1.26 -1.49 118.68 123.01 2f21 s LEU 61 Ca 0.02 0.06 0.03 0.00 -0.22 0.00 0.00 54.13 54.02 2f21 s LEU 61 Cb -0.14 -1.85 0.05 0.00 0.50 0.00 0.00 46.19 44.75 2f21 s LEU 61 CO -0.10 0.26 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.39 2f21 s VAL 62 N -0.20 2.12 0.70 1.68 1.01 -0.13 0.21 120.40 125.79 2f21 s VAL 62 Ca 0.05 -1.50 -0.08 0.00 0.00 0.00 0.00 61.98 60.45 2f21 s VAL 62 Cb -0.12 -2.19 0.04 0.00 0.00 0.00 0.00 36.38 34.11 2f21 s VAL 62 CO 0.02 0.07 1.04 -0.54 0.00 0.00 0.00 175.10 175.68 2f21 s LYS 63 N 1.15 2.48 0.26 2.72 1.02 -1.26 -1.68 119.74 124.41 2f21 s LYS 63 Ca -0.06 0.03 -0.05 0.00 0.02 0.00 0.00 55.97 55.91 2f21 s LYS 63 Cb -0.19 -2.12 -0.02 0.00 -0.52 0.00 0.00 37.83 34.98 2f21 s LYS 63 CO -0.06 -1.13 0.34 -3.38 -0.92 0.00 0.00 175.35 170.20 2f21 s HIS 64 N -3.27 0.90 0.65 3.18 -3.43 -1.26 -4.81 115.29 107.25 2f21 s HIS 64 Ca 0.58 -1.15 0.33 0.00 -0.80 0.00 0.00 55.06 54.02 2f21 s HIS 64 Cb -0.11 -0.20 1.81 0.00 -1.43 0.00 0.00 32.58 32.66 2f21 s HIS 64 CO 0.47 -0.89 2.06 0.66 -2.00 0.00 0.00 174.74 175.04 2f21 h SER 65 N 2.34 0.00 -0.70 7.38 4.64 -0.80 -0.33 113.55 126.07 2f21 h SER 65 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2f21 h SER 65 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2f21 h SER 65 CO 0.42 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.38 2f21 n GLN 66 N -3.17 2.82 -1.80 4.77 1.13 -1.26 -4.85 117.38 115.01 2f21 n GLN 66 Ca -0.01 -2.60 -0.34 0.00 -1.94 0.00 0.00 57.00 52.11 2f21 n GLN 66 Cb 0.32 -1.61 0.05 0.00 0.11 0.00 0.00 30.24 29.11 2f21 n GLN 66 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2f21 s SER 67 N -0.98 5.02 0.35 1.08 0.01 -0.14 -4.92 113.70 114.13 2f21 s SER 67 Ca 0.48 2.15 0.05 0.00 1.31 0.00 0.00 55.95 59.94 2f21 s SER 67 Cb 0.26 -2.57 0.70 0.00 0.21 0.00 0.00 66.02 64.62 2f21 s SER 67 CO 0.31 -1.69 1.97 0.08 0.41 0.00 0.00 173.24 174.32 2f21 h ARG 68 N 0.26 0.78 -2.89 12.44 0.11 -1.35 -3.26 114.38 120.47 2f21 h ARG 68 Ca -0.48 -0.05 -0.61 0.00 0.10 0.00 0.00 59.98 58.95 2f21 h ARG 68 Cb 1.27 -0.18 -0.40 0.00 1.11 0.00 0.00 29.97 31.77 2f21 h ARG 68 CO 0.54 0.52 -0.75 1.03 0.10 0.00 0.00 179.97 181.40 2f21 s ARG 69 N -5.70 1.41 -0.61 0.08 0.52 -1.26 -5.03 118.95 108.36 2f21 s ARG 69 Ca -0.10 -2.25 -0.05 0.00 -0.52 0.00 0.00 55.73 52.82 2f21 s ARG 69 Cb 0.19 -2.35 -0.07 0.00 0.52 0.00 0.00 34.95 33.24 2f21 s ARG 69 CO 0.77 -1.22 2.01 -0.35 0.02 0.00 0.00 175.30 176.53 2f21 n PRO 70 N 3.15 1.65 -3.49 3.54 -0.04 -1.23 -4.73 135.00 133.86 2f21 n PRO 70 Ca 0.14 -1.14 -0.16 0.00 -0.04 0.00 0.00 63.50 62.31 2f21 n PRO 70 Cb 0.37 -2.24 -0.05 0.00 -0.04 0.00 0.00 33.50 31.55 2f21 n PRO 70 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2f21 s SER 71 N 3.30 -0.61 0.30 3.54 0.15 -1.26 -1.32 113.70 117.79 2f21 s SER 71 Ca 0.35 0.45 -0.18 0.00 0.70 0.00 0.00 55.95 57.26 2f21 s SER 71 Cb 0.11 0.55 0.02 0.00 -1.71 0.00 0.00 66.02 64.99 2f21 s SER 71 CO -0.02 -0.73 0.70 -0.94 1.20 0.00 0.00 173.24 173.45 2f21 s SER 72 N -1.76 -0.14 0.65 5.45 1.04 -0.22 -4.97 113.70 113.74 2f21 s SER 72 Ca -0.06 -0.80 0.40 0.00 0.48 0.00 0.00 55.95 55.97 2f21 s SER 72 Cb -0.00 0.74 2.24 0.00 0.10 0.00 0.00 66.02 69.10 2f21 s SER 72 CO 0.01 -1.40 2.34 4.11 0.98 0.00 0.00 173.24 179.28 2f21 h TRP 73 N 2.03 0.00 -0.32 5.02 5.08 -1.92 -1.57 115.95 124.27 2f21 h TRP 73 Ca -0.23 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.74 2f21 h TRP 73 Cb 1.25 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.41 2f21 h TRP 73 CO 0.68 0.00 0.00 2.89 -1.28 0.00 0.00 178.44 180.73 2f21 n ARG 74 N -3.32 2.20 -3.15 0.12 1.85 -1.26 -4.88 116.66 108.23 2f21 n ARG 74 Ca -0.03 -2.01 0.05 0.00 -1.00 0.00 0.00 57.85 54.86 2f21 n ARG 74 Cb 0.08 -1.39 -0.01 0.00 -1.05 0.00 0.00 32.46 30.09 2f21 n ARG 74 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2f21 s GLN 75 N -1.22 0.24 0.44 2.89 0.74 -0.59 -5.04 119.66 117.12 2f21 s GLN 75 Ca 0.30 0.32 0.13 0.00 0.05 0.00 0.00 55.36 56.17 2f21 s GLN 75 Cb 0.17 0.17 1.03 0.00 1.10 0.00 0.00 33.01 35.48 2f21 s GLN 75 CO 0.24 -0.37 2.00 1.49 -0.55 0.00 0.00 175.29 178.09 2f21 h GLU 76 N 7.68 0.38 -3.92 1.67 4.57 -1.90 -0.58 114.58 122.49 2f21 h GLU 76 Ca -0.11 -0.02 -0.60 0.00 -1.18 0.00 0.00 59.36 57.45 2f21 h GLU 76 Cb 1.18 -0.09 -0.40 0.00 -0.16 0.00 0.00 28.75 29.28 2f21 h GLU 76 CO -0.04 0.25 -0.75 0.21 -1.18 0.00 0.00 179.01 177.51 2f21 s LYS 77 N -5.37 0.99 -0.12 1.92 2.47 -1.26 -4.44 119.74 113.92 2f21 s LYS 77 Ca -0.08 -1.25 -0.30 0.00 -1.56 0.00 0.00 55.97 52.78 2f21 s LYS 77 Cb 0.19 -2.36 -0.02 0.00 -1.46 0.00 0.00 37.83 34.18 2f21 s LYS 77 CO 0.74 -0.93 1.15 0.42 0.16 0.00 0.00 175.35 176.89 2f21 s ILE 78 N 1.42 4.44 0.00 5.43 -1.09 -0.44 -4.90 121.20 126.06 2f21 s ILE 78 Ca 0.08 1.74 0.00 0.00 -2.23 0.00 0.00 60.65 60.25 2f21 s ILE 78 Cb -0.18 -4.12 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 2f21 s ILE 78 CO -0.19 -0.06 0.27 0.35 -1.23 0.00 0.00 174.94 174.08 2f21 n THR 79 N 4.89 0.00 -2.13 2.92 -2.24 -1.26 -4.20 114.28 112.26 2f21 n THR 79 Ca 0.11 -0.44 -0.36 0.00 -2.27 0.00 0.00 64.05 61.09 2f21 n THR 79 Cb 0.46 1.07 0.01 0.00 -2.10 0.00 0.00 70.33 69.78 2f21 n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f21 s ARG 80 N -0.35 3.31 0.81 -0.78 1.70 -1.26 -4.59 118.95 117.79 2f21 s ARG 80 Ca 0.00 1.78 -0.12 0.00 -0.47 0.00 0.00 55.73 56.92 2f21 s ARG 80 Cb 0.00 -2.10 0.08 0.00 -0.57 0.00 0.00 34.95 32.36 2f21 s ARG 80 CO 0.00 -0.92 1.15 0.95 -1.08 0.00 0.00 175.30 175.40 2f21 s THR 81 N -1.61 2.31 0.31 4.99 -4.23 -1.26 -0.27 115.64 115.87 2f21 s THR 81 Ca 0.72 0.10 0.02 0.00 -1.18 0.00 0.00 61.69 61.35 2f21 s THR 81 Cb -0.29 -3.04 0.16 0.00 1.34 0.00 0.00 72.50 70.67 2f21 s THR 81 CO 0.33 -0.13 1.85 0.11 -0.54 0.00 0.00 174.62 176.24 2f21 h LYS 82 N -1.07 0.67 -0.37 3.99 1.57 -1.94 -1.00 116.57 118.41 2f21 h LYS 82 Ca -0.47 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.17 2f21 h LYS 82 Cb 1.31 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 2f21 h LYS 82 CO 0.65 0.65 0.23 0.93 -0.57 0.00 0.00 179.45 181.33 2f21 h GLU 83 N 0.64 0.50 -0.62 3.15 4.39 -1.99 -0.28 114.58 120.38 2f21 h GLU 83 Ca 0.14 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 2f21 h GLU 83 Cb 0.32 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 2f21 h GLU 83 CO 0.01 0.37 0.14 0.93 -1.16 0.00 0.00 179.01 179.30 2f21 h GLU 84 N 0.49 0.97 -0.51 2.33 5.08 -1.80 -1.60 114.58 119.54 2f21 h GLU 84 Ca 0.13 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2f21 h GLU 84 Cb -0.01 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2f21 h GLU 84 CO -0.03 0.87 0.22 0.00 -1.00 0.00 0.00 179.01 179.08 2f21 h ALA 85 N 1.23 0.66 -0.66 3.43 0.00 -0.69 -1.76 119.26 121.46 2f21 h ALA 85 Ca 0.20 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2f21 h ALA 85 Cb 0.34 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2f21 h ALA 85 CO 0.00 0.24 0.19 1.25 0.00 0.00 0.00 179.25 180.94 2f21 h LEU 86 N 0.68 0.96 -0.59 0.00 5.85 -0.76 -0.89 115.31 120.56 2f21 h LEU 86 Ca 0.17 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2f21 h LEU 86 Cb 0.16 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 2f21 h LEU 86 CO -0.02 0.91 0.37 -0.33 -0.34 0.00 0.00 178.44 179.02 2f21 h GLU 87 N 0.99 0.71 -0.38 1.25 4.39 -0.93 0.10 114.58 120.71 2f21 h GLU 87 Ca 0.22 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.83 2f21 h GLU 87 Cb 0.30 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2f21 h GLU 87 CO -0.01 0.47 0.07 -0.07 -1.16 0.00 0.00 179.01 178.31 2f21 h LEU 88 N 0.73 0.59 -0.24 1.33 3.38 -0.87 -1.32 115.31 118.91 2f21 h LEU 88 Ca 0.23 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2f21 h LEU 88 Cb -0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2f21 h LEU 88 CO -0.09 0.70 0.09 0.40 0.09 0.00 0.00 178.44 179.63 2f21 h ILE 89 N 0.47 0.95 -0.68 1.22 1.08 -0.71 0.08 117.51 119.91 2f21 h ILE 89 Ca 0.12 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.52 2f21 h ILE 89 Cb 0.35 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 34.79 2f21 h ILE 89 CO 0.01 0.04 0.45 0.78 -0.69 0.00 0.00 178.15 178.73 2f21 h ASN 90 N 0.20 0.79 -0.39 1.72 2.35 -0.69 -1.03 115.58 118.53 2f21 h ASN 90 Ca 0.10 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 2f21 h ASN 90 Cb 0.06 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2f21 h ASN 90 CO -0.10 0.58 0.08 1.23 -1.65 0.00 0.00 177.43 177.58 2f21 h GLY 91 N 0.94 0.69 1.10 2.83 0.00 -0.28 -1.37 103.07 106.97 2f21 h GLY 91 Ca 0.25 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 2f21 h GLY 91 CO -0.05 0.41 0.17 -0.97 0.00 0.00 0.00 176.54 176.10 2f21 h TYR 92 N 0.50 1.17 -0.38 5.60 0.05 -0.47 -0.57 116.97 122.86 2f21 h TYR 92 Ca 0.12 -0.14 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 2f21 h TYR 92 Cb 0.33 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 2f21 h TYR 92 CO 0.02 0.95 0.20 0.82 -1.05 0.00 0.00 178.16 179.10 2f21 h ILE 93 N 1.06 1.16 -0.75 -2.88 2.04 -1.06 -0.89 117.51 116.19 2f21 h ILE 93 Ca 0.22 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 2f21 h ILE 93 Cb 0.37 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 2f21 h ILE 93 CO 0.00 0.16 0.27 -0.61 0.00 0.00 0.00 178.15 177.98 2f21 h GLN 94 N 0.49 1.13 -0.61 2.37 4.15 -0.95 -1.05 115.11 120.63 2f21 h GLN 94 Ca 0.13 -0.22 -0.09 0.00 0.77 0.00 0.00 58.65 59.25 2f21 h GLN 94 Cb 0.08 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 2f21 h GLN 94 CO -0.02 0.94 0.03 0.87 -1.93 0.00 0.00 178.83 178.71 2f21 h LYS 95 N 1.10 1.06 -0.22 1.69 1.57 -0.78 -1.24 116.57 119.74 2f21 h LYS 95 Ca 0.25 -0.32 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 2f21 h LYS 95 Cb 0.25 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2f21 h LYS 95 CO -0.02 1.01 -0.13 0.82 -0.57 0.00 0.00 179.45 180.57 2f21 h ILE 96 N 0.97 1.31 -0.10 1.86 2.04 -0.94 -2.74 117.51 119.92 2f21 h ILE 96 Ca 0.18 -1.22 -0.06 0.00 1.00 0.00 0.00 64.86 64.76 2f21 h ILE 96 Cb 0.52 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 2f21 h ILE 96 CO 0.03 0.37 -0.21 0.11 0.00 0.00 0.00 178.15 178.45 2f21 h LYS 97 N 0.19 0.16 0.00 2.37 1.57 -1.11 -2.68 116.57 117.07 2f21 h LYS 97 Ca 0.05 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2f21 h LYS 97 Cb 0.64 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 2f21 h LYS 97 CO 0.04 0.37 -0.53 0.66 -0.57 0.00 0.00 179.45 179.41 2f21 h SER 98 N 0.15 0.00 0.00 0.86 4.64 -1.18 -3.47 113.55 114.55 2f21 h SER 98 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2f21 h SER 98 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2f21 h SER 98 CO 0.03 0.53 0.00 0.61 -0.87 0.00 0.00 176.83 177.13 2f21 n GLY 99 N 0.22 0.31 0.22 -0.77 0.00 -1.01 -4.96 105.19 99.21 2f21 n GLY 99 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.11 2f21 n GLY 99 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2f21 h GLU 100 N 4.35 0.00 -4.47 1.61 4.11 -1.77 -3.45 114.58 114.96 2f21 h GLU 100 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.25 2f21 h GLU 100 Cb 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.10 2f21 h GLU 100 CO 0.00 0.21 -0.68 -1.21 0.07 0.00 0.00 179.01 177.40 2f21 s GLU 101 N -3.58 0.76 0.12 1.06 0.41 -1.05 -5.04 118.70 111.37 2f21 s GLU 101 Ca 0.01 -1.30 0.09 0.00 -0.41 0.00 0.00 54.97 53.36 2f21 s GLU 101 Cb 0.10 -0.00 -0.04 0.00 -1.78 0.00 0.00 34.13 32.41 2f21 s GLU 101 CO 0.64 -0.08 -0.20 0.16 -0.49 0.00 0.00 175.26 175.29 2f21 s ASP 102 N -3.00 3.78 0.17 -0.19 1.47 -1.26 -4.18 116.67 113.46 2f21 s ASP 102 Ca 0.11 -0.59 -0.20 0.00 1.18 0.00 0.00 52.55 53.06 2f21 s ASP 102 Cb 0.07 -0.49 0.08 0.00 -0.34 0.00 0.00 42.92 42.24 2f21 s ASP 102 CO -0.06 0.18 1.63 0.15 0.68 0.00 0.00 175.17 177.75 2f21 h PHE 103 N 3.80 -0.53 -0.57 2.11 3.04 -1.96 -2.36 116.94 120.47 2f21 h PHE 103 Ca -0.50 0.04 0.06 0.00 3.98 0.00 0.00 57.97 61.56 2f21 h PHE 103 Cb 1.17 0.29 -0.05 0.00 2.56 0.00 0.00 35.95 39.91 2f21 h PHE 103 CO 0.60 -0.29 0.27 0.93 -2.02 0.00 0.00 178.31 177.81 2f21 h GLU 104 N -0.15 0.50 -0.42 1.11 3.07 -1.97 -0.31 114.58 116.41 2f21 h GLU 104 Ca 0.18 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.00 2f21 h GLU 104 Cb 0.43 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 2f21 h GLU 104 CO -0.46 0.33 0.20 0.77 -1.40 0.00 0.00 179.01 178.46 2f21 h SER 105 N 0.52 0.54 -0.35 1.42 0.02 -1.82 -1.21 113.55 112.67 2f21 h SER 105 Ca 0.26 -0.13 -0.11 0.00 -0.84 0.00 0.00 61.79 60.98 2f21 h SER 105 Cb 0.21 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 2f21 h SER 105 CO -0.20 0.52 -0.16 -0.07 -1.14 0.00 0.00 176.83 175.78 2f21 h LEU 106 N 0.53 0.82 -0.30 5.07 3.38 -1.16 -2.52 115.31 121.13 2f21 h LEU 106 Ca 0.14 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 2f21 h LEU 106 Cb 0.12 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2f21 h LEU 106 CO -0.02 0.97 0.04 0.00 0.09 0.00 0.00 178.44 179.53 2f21 h ALA 107 N 1.10 0.40 0.00 1.53 0.00 -0.83 0.23 119.26 121.68 2f21 h ALA 107 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2f21 h ALA 107 Cb 0.66 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2f21 h ALA 107 CO 0.05 0.09 -0.11 0.66 0.00 0.00 0.00 179.25 179.94 2f21 h SER 108 N 0.32 0.00 0.03 0.00 4.64 -1.13 -2.20 113.55 115.21 2f21 h SER 108 Ca 0.09 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.03 2f21 h SER 108 Cb 0.35 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.37 2f21 h SER 108 CO 0.01 0.11 -2.39 1.67 -0.87 0.00 0.00 176.83 175.36 2f21 n GLN 109 N -3.96 0.67 0.00 4.77 7.27 -0.96 -4.77 117.38 120.41 2f21 n GLN 109 Ca -0.02 0.10 0.02 0.00 0.07 0.00 0.00 57.00 57.17 2f21 n GLN 109 Cb 0.20 -1.54 -0.01 0.00 2.41 0.00 0.00 30.24 31.30 2f21 n GLN 109 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 2f21 n PHE 110 N -3.07 0.00 -2.27 3.69 3.72 0.78 -5.02 117.46 115.29 2f21 n PHE 110 Ca -0.39 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.60 2f21 n PHE 110 Cb 1.06 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.57 2f21 n PHE 110 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2f21 s SER 111 N -1.03 6.96 0.00 4.37 0.15 -0.83 -4.84 113.70 118.48 2f21 s SER 111 Ca 0.03 2.34 0.13 0.00 0.70 0.00 0.00 55.95 59.15 2f21 s SER 111 Cb 0.03 -2.61 0.70 0.00 -1.71 0.00 0.00 66.02 62.44 2f21 s SER 111 CO 0.13 -0.48 1.47 0.47 1.20 0.00 0.00 173.24 176.02 2f21 n ASP 112 N 2.65 0.41 -4.88 5.45 8.00 0.13 -4.76 116.55 123.56 2f21 n ASP 112 Ca 0.06 -1.66 -0.36 0.00 0.71 0.00 0.00 54.79 53.54 2f21 n ASP 112 Cb 0.43 -0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.44 2f21 n ASP 112 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2f21 h SER 114 N 4.46 0.00 0.14 0.00 0.02 -1.99 -0.35 113.55 115.83 2f21 h SER 114 Ca -0.52 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 2f21 h SER 114 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2f21 h SER 114 CO 0.63 0.00 0.00 -0.24 -1.14 0.00 0.00 176.83 176.08 2f21 n SER 115 N -2.62 0.00 0.03 3.07 2.88 -1.26 -1.83 113.62 113.89 2f21 n SER 115 Ca -0.02 0.47 0.13 0.00 -1.33 0.00 0.00 58.87 58.12 2f21 n SER 115 Cb 0.10 -0.48 0.58 0.00 -0.75 0.00 0.00 64.21 63.66 2f21 n SER 115 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2f21 h ALA 116 N 2.15 2.13 -0.01 -1.46 0.00 -1.31 0.93 119.26 121.70 2f21 h ALA 116 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2f21 h ALA 116 Cb 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2f21 h ALA 116 CO 0.00 -0.23 0.01 0.87 0.00 0.00 0.00 179.25 179.90 2f21 h LYS 117 N 0.21 0.00 -0.69 0.00 1.79 -1.62 -0.81 116.57 115.45 2f21 h LYS 117 Ca 0.20 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.35 2f21 h LYS 117 Cb 0.51 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 30.97 2f21 h LYS 117 CO -0.03 0.00 0.30 0.00 -1.08 0.00 0.00 179.45 178.64 2f21 n ALA 118 N -2.48 4.81 -2.74 3.86 0.00 0.12 -4.90 120.51 119.17 2f21 n ALA 118 Ca -0.03 -2.82 -0.21 0.00 0.00 0.00 0.00 53.44 50.38 2f21 n ALA 118 Cb 0.10 -1.14 0.01 0.00 0.00 0.00 0.00 19.45 18.42 2f21 n ALA 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2f21 n ARG 119 N -0.89 -3.30 0.00 0.00 1.74 -0.31 -2.03 116.66 111.88 2f21 n ARG 119 Ca 0.45 0.90 0.00 0.00 -0.77 0.00 0.00 57.85 58.43 2f21 n ARG 119 Cb 1.37 -5.66 0.00 0.00 -1.02 0.00 0.00 32.46 27.15 2f21 n ARG 119 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f21 n GLY 120 N -1.24 1.72 3.71 -0.13 0.00 -0.03 -4.64 105.19 104.58 2f21 n GLY 120 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2f21 n GLY 120 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2f21 s ASP 121 N -2.80 6.51 0.00 1.61 2.15 -0.86 -0.81 116.67 122.47 2f21 s ASP 121 Ca 0.00 2.69 0.13 0.00 0.43 0.00 0.00 52.55 55.80 2f21 s ASP 121 Cb 0.00 -2.59 0.03 0.00 -0.30 0.00 0.00 42.92 40.07 2f21 s ASP 121 CO 0.00 -0.90 0.81 0.18 -0.17 0.00 0.00 175.17 175.10 2f21 n LEU 122 N 4.41 1.67 0.00 -1.34 4.77 -0.20 -4.83 117.00 121.49 2f21 n LEU 122 Ca 0.15 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 2f21 n LEU 122 Cb 0.38 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2f21 n LEU 122 CO 0.63 0.32 -0.00 0.61 -1.33 0.00 0.00 177.39 177.61 2f21 n GLY 123 N 0.95 -2.03 3.86 -0.72 0.00 -1.25 -4.89 105.19 101.12 2f21 n GLY 123 Ca 0.06 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.35 2f21 n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f21 s ALA 124 N -1.09 3.47 0.17 4.61 0.00 -1.26 -3.15 121.76 124.50 2f21 s ALA 124 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 51.96 51.69 2f21 s ALA 124 Cb 0.00 -2.59 0.02 0.00 0.00 0.00 0.00 23.12 20.55 2f21 s ALA 124 CO 0.00 0.43 0.44 -0.59 0.00 0.00 0.00 175.76 176.04 2f21 s PHE 125 N -1.83 -0.03 0.49 0.00 -0.12 -0.19 -4.98 117.98 111.32 2f21 s PHE 125 Ca 0.49 -0.31 0.05 0.00 -0.05 0.00 0.00 56.93 57.11 2f21 s PHE 125 Cb -0.11 0.27 -0.01 0.00 -0.63 0.00 0.00 43.02 42.53 2f21 s PHE 125 CO 0.19 -0.83 0.21 -1.12 -0.05 0.00 0.00 175.22 173.63 2f21 s SER 126 N -2.88 4.40 0.61 1.98 0.01 -1.26 -2.22 113.70 114.34 2f21 s SER 126 Ca 0.09 -1.30 -0.19 0.00 1.31 0.00 0.00 55.95 55.86 2f21 s SER 126 Cb 0.01 0.11 -0.03 0.00 0.21 0.00 0.00 66.02 66.32 2f21 s SER 126 CO -0.04 -0.82 1.25 -0.13 0.41 0.00 0.00 173.24 173.91 2f21 s ARG 127 N -4.03 2.83 0.00 12.44 1.81 -1.26 -3.19 118.95 127.56 2f21 s ARG 127 Ca 0.29 1.95 0.00 0.00 -1.72 0.00 0.00 55.73 56.25 2f21 s ARG 127 Cb 0.01 -1.93 0.00 0.00 -0.45 0.00 0.00 34.95 32.58 2f21 s ARG 127 CO 0.17 -1.35 0.00 0.41 -0.68 0.00 0.00 175.30 173.84 2f21 n GLY 128 N 0.68 0.61 0.00 -3.53 0.00 -1.26 -4.91 105.19 96.78 2f21 n GLY 128 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.18 2f21 n GLY 128 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2f21 n GLN 129 N -2.78 2.51 -4.48 1.61 6.02 -1.19 -5.04 117.38 114.03 2f21 n GLN 129 Ca 0.00 -0.02 -0.23 0.00 -0.01 0.00 0.00 57.00 56.73 2f21 n GLN 129 Cb 0.00 -0.93 -0.10 0.00 1.02 0.00 0.00 30.24 30.23 2f21 n GLN 129 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2f21 s MET 130 N -1.90 1.68 0.38 -1.09 -1.94 -1.26 -5.07 119.30 110.09 2f21 s MET 130 Ca -0.00 -1.85 -0.27 0.00 -1.71 0.00 0.00 55.69 51.85 2f21 s MET 130 Cb 0.03 -1.42 -0.11 0.00 2.01 0.00 0.00 34.83 35.34 2f21 s MET 130 CO 0.17 0.09 1.38 1.04 -0.01 0.00 0.00 175.02 177.70 2f21 n GLN 131 N -0.68 2.33 -0.24 2.03 6.02 -1.26 -4.64 117.38 120.94 2f21 n GLN 131 Ca -0.05 0.82 -0.01 0.00 -0.01 0.00 0.00 57.00 57.74 2f21 n GLN 131 Cb 0.63 -2.51 0.05 0.00 1.02 0.00 0.00 30.24 29.44 2f21 n GLN 131 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 2f21 h LYS 132 N 2.61 -0.07 -0.71 -1.09 1.63 -1.98 -0.16 116.57 116.80 2f21 h LYS 132 Ca -0.49 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.33 2f21 h LYS 132 Cb 1.27 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.88 2f21 h LYS 132 CO 0.63 -0.04 0.47 -1.35 -3.45 0.00 0.00 179.45 175.70 2f21 h PRO 133 N -0.07 0.92 -0.24 1.90 0.11 -1.90 0.14 132.00 132.86 2f21 h PRO 133 Ca 0.31 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.28 2f21 h PRO 133 Cb 0.55 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 2f21 h PRO 133 CO -0.75 0.61 -0.17 0.35 -0.21 0.00 0.00 178.00 177.83 2f21 h PHE 134 N 0.95 0.63 -0.23 0.65 3.04 -1.55 -2.39 116.94 118.04 2f21 h PHE 134 Ca 0.26 -0.17 -0.00 0.00 3.98 0.00 0.00 57.97 62.04 2f21 h PHE 134 Cb -0.09 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.27 2f21 h PHE 134 CO -0.00 0.84 0.13 1.49 -2.02 0.00 0.00 178.31 178.74 2f21 h GLU 135 N 0.24 0.32 -0.35 1.11 4.81 -0.59 -0.34 114.58 119.77 2f21 h GLU 135 Ca 0.05 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2f21 h GLU 135 Cb 0.70 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 2f21 h GLU 135 CO 0.05 0.28 0.17 -0.44 -0.73 0.00 0.00 179.01 178.34 2f21 h ASP 136 N 0.26 0.24 -0.27 1.04 3.32 -0.73 -1.23 116.42 119.05 2f21 h ASP 136 Ca 0.08 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2f21 h ASP 136 Cb 0.06 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2f21 h ASP 136 CO -0.01 0.18 0.11 0.00 -1.72 0.00 0.00 179.24 177.80 2f21 h ALA 137 N 1.19 0.35 -0.63 3.45 0.00 -1.28 -2.73 119.26 119.61 2f21 h ALA 137 Ca 0.15 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2f21 h ALA 137 Cb 0.07 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2f21 h ALA 137 CO -0.11 -0.06 0.33 0.77 0.00 0.00 0.00 179.25 180.19 2f21 h SER 138 N 0.29 0.48 0.77 0.00 0.02 -0.69 -1.97 113.55 112.45 2f21 h SER 138 Ca 0.09 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2f21 h SER 138 Cb 0.17 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2f21 h SER 138 CO -0.01 0.31 0.00 0.49 -1.14 0.00 0.00 176.83 176.49 2f21 n PHE 139 N -4.83 0.00 1.00 3.45 3.01 -0.50 -2.83 117.46 116.77 2f21 n PHE 139 Ca 0.08 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.64 2f21 n PHE 139 Cb 0.17 -0.42 -0.01 0.00 -0.01 0.00 0.00 39.48 39.22 2f21 n PHE 139 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2f21 n ALA 140 N -1.42 4.41 -2.01 4.37 0.00 -0.79 -4.58 120.51 120.49 2f21 n ALA 140 Ca 0.09 -0.53 -0.34 0.00 0.00 0.00 0.00 53.44 52.66 2f21 n ALA 140 Cb 0.28 -0.87 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 2f21 n ALA 140 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2f21 s LEU 141 N -3.00 4.16 0.31 0.00 1.43 -0.93 -4.95 118.68 115.70 2f21 s LEU 141 Ca 0.09 1.48 0.06 0.00 -1.03 0.00 0.00 54.13 54.73 2f21 s LEU 141 Cb 0.16 -4.01 -0.01 0.00 0.03 0.00 0.00 46.19 42.36 2f21 s LEU 141 CO 0.82 -0.14 0.45 -0.13 0.23 0.00 0.00 176.35 177.57 2f21 s ARG 142 N -2.59 3.21 0.15 1.70 0.52 -1.26 -4.98 118.95 115.70 2f21 s ARG 142 Ca 0.52 -0.92 -0.34 0.00 -0.52 0.00 0.00 55.73 54.46 2f21 s ARG 142 Cb -0.13 -2.83 -0.15 0.00 0.52 0.00 0.00 34.95 32.36 2f21 s ARG 142 CO 0.19 0.15 1.49 2.41 0.02 0.00 0.00 175.30 179.56 2f21 n THR 143 N -1.59 0.12 -0.01 0.02 -1.04 -1.26 -1.19 114.28 109.33 2f21 n THR 143 Ca -0.02 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 2f21 n THR 143 Cb 0.58 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 2f21 n THR 143 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2f21 n GLY 144 N 3.03 1.74 3.85 3.41 0.00 0.49 -5.03 105.19 112.68 2f21 n GLY 144 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2f21 n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2f21 s GLU 145 N -0.42 3.94 -0.04 1.61 2.02 -0.33 -4.83 118.70 120.66 2f21 s GLU 145 Ca 0.00 0.69 0.07 0.00 0.02 0.00 0.00 54.97 55.75 2f21 s GLU 145 Cb 0.00 -2.35 -0.02 0.00 0.10 0.00 0.00 34.13 31.86 2f21 s GLU 145 CO 0.00 0.01 -0.24 1.41 0.02 0.00 0.00 175.26 176.46 2f21 s MET 146 N -3.45 2.30 0.93 1.61 -2.45 -1.26 -1.50 119.30 115.47 2f21 s MET 146 Ca 0.55 -0.88 -0.15 0.00 -1.25 0.00 0.00 55.69 53.96 2f21 s MET 146 Cb -0.10 -2.14 0.16 0.00 1.25 0.00 0.00 34.83 34.01 2f21 s MET 146 CO 0.24 0.53 1.25 -1.54 1.05 0.00 0.00 175.02 176.54 2f21 s SER 147 N -0.52 3.43 0.01 1.11 1.04 0.88 -4.80 113.70 114.85 2f21 s SER 147 Ca 0.07 0.50 0.00 0.00 0.48 0.00 0.00 55.95 57.00 2f21 s SER 147 Cb -0.11 -0.73 0.00 0.00 0.10 0.00 0.00 66.02 65.28 2f21 s SER 147 CO 0.00 -2.56 0.00 0.61 0.98 0.00 0.00 173.24 172.28 2f21 n GLY 148 N -3.34 1.60 3.68 7.32 0.00 -0.03 -4.58 105.19 109.85 2f21 n GLY 148 Ca 0.12 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 2f21 n GLY 148 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2f21 s PRO 149 N 2.44 4.21 -0.17 1.61 0.02 -1.26 -4.55 135.00 137.28 2f21 s PRO 149 Ca 0.00 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.24 2f21 s PRO 149 Cb 0.00 -3.74 0.01 0.00 0.02 0.00 0.00 34.50 30.79 2f21 s PRO 149 CO 0.00 -0.75 -0.17 0.08 -0.33 0.00 0.00 177.00 175.83 2f21 s VAL 150 N 3.12 2.38 -0.14 3.83 1.01 -0.24 -4.77 120.40 125.60 2f21 s VAL 150 Ca 0.72 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.71 2f21 s VAL 150 Cb -0.36 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 2f21 s VAL 150 CO 0.30 0.52 0.35 -0.36 0.00 0.00 0.00 175.10 175.91 2f21 s PHE 151 N 1.15 3.49 0.33 5.22 0.40 -1.26 0.03 117.98 127.34 2f21 s PHE 151 Ca 0.01 0.70 0.05 0.00 -0.60 0.00 0.00 56.93 57.09 2f21 s PHE 151 Cb -0.14 -2.39 -0.03 0.00 0.51 0.00 0.00 43.02 40.97 2f21 s PHE 151 CO -0.07 0.25 0.20 0.95 0.70 0.00 0.00 175.22 177.25 2f21 s THR 152 N 0.40 0.21 0.00 0.64 -4.23 -0.36 -4.76 115.64 107.55 2f21 s THR 152 Ca 0.20 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.02 2f21 s THR 152 Cb -0.14 -2.47 0.33 0.00 1.34 0.00 0.00 72.50 71.57 2f21 s THR 152 CO 0.06 0.00 1.93 0.44 -0.54 0.00 0.00 174.62 176.51 2f21 h ASP 153 N 2.11 0.00 0.79 3.99 3.32 -1.98 -2.53 116.42 122.13 2f21 h ASP 153 Ca -0.30 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.53 2f21 h ASP 153 Cb 1.25 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 2f21 h ASP 153 CO 0.46 0.00 -1.00 0.28 -1.72 0.00 0.00 179.24 177.26 2f21 h SER 154 N 0.00 0.16 0.00 6.45 0.02 -1.95 -0.74 113.55 117.49 2f21 h SER 154 Ca 0.00 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2f21 h SER 154 Cb 0.27 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2f21 h SER 154 CO 0.00 1.06 0.00 0.61 -1.14 0.00 0.00 176.83 177.36 2f21 n GLY 155 N 1.21 -0.11 3.35 -3.77 0.00 -0.96 -4.48 105.19 100.43 2f21 n GLY 155 Ca -0.03 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 2f21 n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2f21 s ILE 156 N -4.00 2.73 0.24 -0.61 1.01 -0.68 -1.22 121.20 118.67 2f21 s ILE 156 Ca 0.00 -0.80 0.11 0.00 0.00 0.00 0.00 60.65 59.96 2f21 s ILE 156 Cb 0.00 -2.09 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 2f21 s ILE 156 CO 0.00 0.55 -0.15 -1.00 0.00 0.00 0.00 174.94 174.34 2f21 s HIS 157 N 0.08 2.44 -0.13 3.97 3.76 0.10 -0.96 115.29 124.57 2f21 s HIS 157 Ca -0.07 -0.29 0.02 0.00 -0.15 0.00 0.00 55.06 54.56 2f21 s HIS 157 Cb -0.15 -1.12 0.01 0.00 1.11 0.00 0.00 32.58 32.43 2f21 s HIS 157 CO 0.05 0.62 -0.19 0.42 -0.85 0.00 0.00 174.74 174.79 2f21 s ILE 158 N -2.16 1.79 -0.09 0.60 1.01 -0.55 -1.07 121.20 120.73 2f21 s ILE 158 Ca 0.28 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 60.14 2f21 s ILE 158 Cb -0.07 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 2f21 s ILE 158 CO 0.15 0.50 -0.15 -0.63 0.00 0.00 0.00 174.94 174.81 2f21 s ILE 159 N 0.95 2.92 -0.18 2.92 1.01 -1.26 -1.06 121.20 126.48 2f21 s ILE 159 Ca -0.06 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.86 2f21 s ILE 159 Cb -0.15 -2.17 0.02 0.00 0.01 0.00 0.00 42.46 40.17 2f21 s ILE 159 CO -0.03 0.56 -0.18 -0.22 0.00 0.00 0.00 174.94 175.07 2f21 s LEU 160 N -0.17 2.16 -0.23 2.97 2.96 -0.15 -0.08 118.68 126.14 2f21 s LEU 160 Ca -0.01 -0.68 -0.23 0.00 -0.22 0.00 0.00 54.13 52.99 2f21 s LEU 160 Cb -0.13 -1.44 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 2f21 s LEU 160 CO 0.03 -0.02 0.75 -0.60 -1.32 0.00 0.00 176.35 175.19 2f21 s ARG 161 N 1.31 4.19 -0.06 1.98 3.52 -0.56 -0.90 118.95 128.42 2f21 s ARG 161 Ca 0.04 0.81 0.20 0.00 -0.13 0.00 0.00 55.73 56.65 2f21 s ARG 161 Cb -0.14 -3.63 -0.30 0.00 -1.56 0.00 0.00 34.95 29.33 2f21 s ARG 161 CO -0.12 -0.43 0.38 0.25 -0.81 0.00 0.00 175.30 174.57 2f21 n THR 162 N 5.09 0.25 -1.43 4.11 -2.24 0.30 -0.38 114.28 119.98 2f21 n THR 162 Ca 0.03 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2f21 n THR 162 Cb 0.48 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 2f21 n THR 162 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88