#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p2k s ASP 2 N 0.00 3.41 -0.22 0.00 1.01 -1.26 -5.01 116.67 114.60 2p2k s ASP 2 Ca 0.00 2.08 -0.09 0.00 0.71 0.00 0.00 52.55 55.25 2p2k s ASP 2 Cb 0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 2p2k s ASP 2 CO 0.00 -2.77 0.11 -0.89 0.21 0.00 0.00 175.17 171.83 2p2k s THR 3 N -2.73 4.96 -0.08 -1.27 2.01 -1.26 -5.01 115.64 112.26 2p2k s THR 3 Ca 0.65 0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.73 2p2k s THR 3 Cb -0.21 -3.29 -0.00 0.00 0.01 0.00 0.00 72.50 69.01 2p2k s THR 3 CO 0.57 0.38 -0.22 -0.63 -0.69 0.00 0.00 174.62 174.03 2p2k s ILE 4 N 0.97 1.91 -0.12 1.82 -1.09 -1.26 -3.18 121.20 120.25 2p2k s ILE 4 Ca 0.06 -0.95 0.03 0.00 -2.23 0.00 0.00 60.65 57.56 2p2k s ILE 4 Cb -0.14 -1.65 0.00 0.00 -1.58 0.00 0.00 42.46 39.09 2p2k s ILE 4 CO 0.03 0.53 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.36 2p2k s VAL 5 N 0.27 2.20 0.01 2.92 1.01 -0.52 0.40 120.40 126.69 2p2k s VAL 5 Ca -0.15 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.81 2p2k s VAL 5 Cb -0.17 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.35 2p2k s VAL 5 CO 0.07 0.55 0.13 0.00 0.00 0.00 0.00 175.10 175.85 2p2k s ALA 6 N 0.47 -0.27 -0.33 5.51 0.00 -0.12 0.88 121.76 127.90 2p2k s ALA 6 Ca -0.15 -0.23 -0.09 0.00 0.00 0.00 0.00 51.96 51.49 2p2k s ALA 6 Cb -0.17 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.11 2p2k s ALA 6 CO 0.06 -0.23 0.14 0.08 0.00 0.00 0.00 175.76 175.81 2p2k s VAL 7 N -1.66 4.27 -0.04 0.00 1.01 0.01 -0.09 120.40 123.90 2p2k s VAL 7 Ca -0.13 -0.77 -0.13 0.00 0.00 0.00 0.00 61.98 60.95 2p2k s VAL 7 Cb -0.06 -3.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 2p2k s VAL 7 CO 0.00 -0.08 0.34 -1.83 0.00 0.00 0.00 175.10 173.54 2p2k s GLU 8 N 1.52 3.85 -0.51 2.72 -1.05 -0.33 -1.21 118.70 123.69 2p2k s GLU 8 Ca 0.02 0.28 -0.12 0.00 -0.15 0.00 0.00 54.97 54.99 2p2k s GLU 8 Cb -0.18 -3.23 0.13 0.00 -0.44 0.00 0.00 34.13 30.40 2p2k s GLU 8 CO 0.05 0.67 0.43 -0.51 0.95 0.00 0.00 175.26 176.84 2p2k s LEU 9 N -0.93 5.95 -0.39 1.83 1.02 0.23 -0.88 118.68 125.51 2p2k s LEU 9 Ca 0.21 -1.89 -0.12 0.00 0.02 0.00 0.00 54.13 52.35 2p2k s LEU 9 Cb -0.15 -2.11 0.03 0.00 0.02 0.00 0.00 46.19 43.98 2p2k s LEU 9 CO 0.11 -0.76 0.25 -0.62 0.02 0.00 0.00 176.35 175.34 2p2k s ASP 10 N 3.07 5.86 0.01 2.29 -1.08 0.19 -1.40 116.67 125.60 2p2k s ASP 10 Ca 0.05 -1.02 0.26 0.00 -0.52 0.00 0.00 52.55 51.32 2p2k s ASP 10 Cb -0.28 -2.07 0.74 0.00 -1.46 0.00 0.00 42.92 39.85 2p2k s ASP 10 CO 0.01 -0.43 1.58 0.35 0.52 0.00 0.00 175.17 177.20 2p2k n THR 11 N 5.05 0.02 -3.88 1.71 -2.24 -0.92 -0.41 114.28 113.61 2p2k n THR 11 Ca -0.11 -0.02 -0.29 0.00 -2.27 0.00 0.00 64.05 61.36 2p2k n THR 11 Cb 0.46 -0.02 -0.16 0.00 -2.10 0.00 0.00 70.33 68.51 2p2k n THR 11 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2p2k s TYR 12 N -3.01 1.86 -0.50 4.78 6.14 -1.24 -4.50 117.35 120.87 2p2k s TYR 12 Ca 0.12 -1.32 -0.27 0.00 0.64 0.00 0.00 57.07 56.23 2p2k s TYR 12 Cb 0.18 -1.37 -0.02 0.00 0.42 0.00 0.00 41.96 41.16 2p2k s TYR 12 CO 0.65 -0.68 1.89 -2.14 0.64 0.00 0.00 175.55 175.91 2p2k s PRO 13 N 1.58 2.81 -1.06 4.97 0.02 -1.26 -4.89 135.00 137.17 2p2k s PRO 13 Ca -0.02 0.97 -0.11 0.00 0.02 0.00 0.00 61.00 61.85 2p2k s PRO 13 Cb -0.17 -4.34 0.25 0.00 0.02 0.00 0.00 34.50 30.26 2p2k s PRO 13 CO -0.07 -2.49 1.07 -0.80 -0.33 0.00 0.00 177.00 174.38 2p2k s ASN 14 N 7.83 7.16 0.57 2.53 -0.87 -1.26 -4.86 114.94 126.03 2p2k s ASN 14 Ca 0.74 -3.30 0.34 0.00 -1.57 0.00 0.00 52.86 49.08 2p2k s ASN 14 Cb -0.16 -2.24 1.62 0.00 -0.02 0.00 0.00 41.25 40.45 2p2k s ASN 14 CO 0.26 -0.42 2.09 0.71 -2.57 0.00 0.00 177.10 177.17 2p2k h THR 15 N 4.07 0.16 0.00 1.60 1.35 -1.85 -1.83 112.91 116.41 2p2k h THR 15 Ca 0.18 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 2p2k h THR 15 Cb 0.91 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 2p2k h THR 15 CO 0.99 0.04 -0.04 -0.90 -0.25 0.00 0.00 175.52 175.36 2p2k n ASP 16 N -3.22 0.36 -0.54 5.36 5.75 -1.26 -2.08 116.55 120.92 2p2k n ASP 16 Ca -0.01 0.49 0.06 0.00 -0.01 0.00 0.00 54.79 55.32 2p2k n ASP 16 Cb 0.24 -0.57 0.20 0.00 -1.03 0.00 0.00 41.12 39.96 2p2k n ASP 16 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 2p2k n ILE 17 N -1.82 2.18 -0.17 2.12 -5.35 -0.76 -4.97 119.36 110.59 2p2k n ILE 17 Ca 0.06 -3.04 0.00 0.00 -0.27 0.00 0.00 62.75 59.50 2p2k n ILE 17 Cb 0.38 -0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.03 2p2k n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2p2k n GLY 18 N -1.17 0.63 3.76 3.28 0.00 -0.88 -4.67 105.19 106.13 2p2k n GLY 18 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2p2k n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2p2k s ASP 19 N -2.86 5.68 1.00 1.61 1.01 -0.76 -4.90 116.67 117.45 2p2k s ASP 19 Ca 0.00 2.55 -0.12 0.00 0.71 0.00 0.00 52.55 55.69 2p2k s ASP 19 Cb 0.00 -2.62 0.19 0.00 1.01 0.00 0.00 42.92 41.50 2p2k s ASP 19 CO 0.00 -1.27 1.09 -2.16 0.21 0.00 0.00 175.17 173.03 2p2k s PRO 20 N -2.82 0.44 -0.83 8.23 0.04 -1.26 -4.12 135.00 134.68 2p2k s PRO 20 Ca 0.68 0.62 -0.05 0.00 0.04 0.00 0.00 61.00 62.30 2p2k s PRO 20 Cb -0.35 -1.73 0.08 0.00 0.04 0.00 0.00 34.50 32.55 2p2k s PRO 20 CO 0.42 -2.75 2.61 -1.71 0.04 0.00 0.00 177.00 175.60 2p2k n ASN 21 N -4.21 7.16 -3.59 6.66 2.85 -1.26 -4.62 115.26 118.25 2p2k n ASN 21 Ca 0.05 -3.17 -0.05 0.00 -0.11 0.00 0.00 54.58 51.30 2p2k n ASN 21 Cb 0.56 -1.29 -0.02 0.00 1.24 0.00 0.00 39.78 40.27 2p2k n ASN 21 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 2p2k s TYR 22 N -1.46 -0.14 0.49 1.20 -0.85 -1.26 -5.02 117.35 110.31 2p2k s TYR 22 Ca 0.57 0.10 -0.23 0.00 -0.52 0.00 0.00 57.07 56.99 2p2k s TYR 22 Cb 0.29 0.51 -0.08 0.00 0.38 0.00 0.00 41.96 43.07 2p2k s TYR 22 CO -0.16 -0.21 1.23 -2.30 -1.52 0.00 0.00 175.55 172.58 2p2k n PRO 23 N -0.03 1.65 -3.61 -3.49 -0.02 -1.26 -4.49 135.00 123.75 2p2k n PRO 23 Ca -0.00 0.60 -0.13 0.00 -2.02 0.00 0.00 63.50 61.94 2p2k n PRO 23 Cb 0.58 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.63 2p2k n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2p2k s HIS 24 N -1.28 -0.37 0.02 6.00 -3.43 0.45 -0.37 115.29 116.31 2p2k s HIS 24 Ca 0.67 0.39 -0.07 0.00 -0.80 0.00 0.00 55.06 55.25 2p2k s HIS 24 Cb -0.47 0.30 -0.05 0.00 -1.43 0.00 0.00 32.58 30.93 2p2k s HIS 24 CO 0.54 -0.61 0.28 0.96 -2.00 0.00 0.00 174.74 173.90 2p2k s ILE 25 N -2.43 5.28 0.12 -5.38 -4.36 -0.01 0.55 121.20 114.97 2p2k s ILE 25 Ca -0.05 0.18 -0.10 0.00 -0.26 0.00 0.00 60.65 60.41 2p2k s ILE 25 Cb -0.01 -3.58 0.00 0.00 1.25 0.00 0.00 42.46 40.13 2p2k s ILE 25 CO -0.02 0.35 0.27 -0.83 0.24 0.00 0.00 174.94 174.95 2p2k s GLY 26 N -1.74 0.15 -0.19 6.27 0.00 -0.06 -0.40 107.32 111.35 2p2k s GLY 26 Ca 0.28 -0.60 -0.02 0.00 0.00 0.00 0.00 44.72 44.38 2p2k s GLY 26 CO 0.17 -0.72 -0.11 -0.42 0.00 0.00 0.00 173.10 172.02 2p2k s ILE 27 N -3.89 2.91 -0.26 0.90 1.01 -0.11 -1.18 121.20 120.58 2p2k s ILE 27 Ca 0.09 -0.66 -0.06 0.00 0.00 0.00 0.00 60.65 60.02 2p2k s ILE 27 Cb 0.04 -2.28 -0.00 0.00 0.01 0.00 0.00 42.46 40.22 2p2k s ILE 27 CO -0.07 0.48 0.03 -1.81 0.00 0.00 0.00 174.94 173.57 2p2k s ASP 28 N 1.23 4.85 -0.41 3.58 1.01 0.87 0.15 116.67 127.93 2p2k s ASP 28 Ca 0.02 -0.49 -0.01 0.00 0.71 0.00 0.00 52.55 52.78 2p2k s ASP 28 Cb -0.14 -1.84 0.11 0.00 1.01 0.00 0.00 42.92 42.06 2p2k s ASP 28 CO -0.05 -0.10 0.19 -0.63 0.21 0.00 0.00 175.17 174.80 2p2k s ILE 29 N 1.51 3.07 -1.81 0.77 -1.09 -1.26 -0.95 121.20 121.45 2p2k s ILE 29 Ca 0.04 -2.23 0.00 0.00 -2.23 0.00 0.00 60.65 56.24 2p2k s ILE 29 Cb -0.16 -3.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.59 2p2k s ILE 29 CO 0.01 -0.69 0.00 0.29 -1.23 0.00 0.00 174.94 173.32 2p2k n LYS 30 N 4.39 -1.62 -3.64 2.79 5.02 0.16 -4.93 118.16 120.34 2p2k n LYS 30 Ca 0.00 1.02 -0.09 0.00 -2.02 0.00 0.00 58.31 57.22 2p2k n LYS 30 Cb 0.41 -5.53 -0.07 0.00 -0.02 0.00 0.00 35.03 29.82 2p2k n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2p2k s SER 31 N -2.32 -0.57 0.40 4.39 0.15 -1.26 -4.91 113.70 109.58 2p2k s SER 31 Ca 0.00 1.05 0.28 0.00 0.70 0.00 0.00 55.95 57.98 2p2k s SER 31 Cb 0.00 1.10 1.44 0.00 -1.71 0.00 0.00 66.02 66.85 2p2k s SER 31 CO 0.00 -0.18 1.85 1.62 1.20 0.00 0.00 173.24 177.73 2p2k h VAL 32 N 3.99 0.00 -1.42 4.45 3.04 -1.84 -3.37 116.25 121.10 2p2k h VAL 32 Ca -0.29 -0.08 -0.64 0.00 -1.01 0.00 0.00 66.70 64.69 2p2k h VAL 32 Cb 1.18 0.75 -0.12 0.00 -2.01 0.00 0.00 31.29 31.09 2p2k h VAL 32 CO 0.11 0.00 1.46 -0.13 -1.01 0.00 0.00 177.57 178.00 2p2k s ARG 33 N -3.65 3.69 0.25 4.17 0.52 -1.26 -4.98 118.95 117.69 2p2k s ARG 33 Ca -0.02 -1.50 -0.26 0.00 -0.52 0.00 0.00 55.73 53.43 2p2k s ARG 33 Cb 0.08 -5.27 -0.16 0.00 0.52 0.00 0.00 34.95 30.12 2p2k s ARG 33 CO 0.30 -2.09 0.45 0.43 0.02 0.00 0.00 175.30 174.41 2p2k n SER 34 N 8.08 -1.47 0.07 0.23 7.64 -1.26 -4.77 113.62 122.13 2p2k n SER 34 Ca 0.34 1.06 -0.04 0.00 1.01 0.00 0.00 58.87 61.24 2p2k n SER 34 Cb 0.49 -0.95 -0.08 0.00 -1.01 0.00 0.00 64.21 62.66 2p2k n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2p2k h LYS 35 N 0.89 0.00 -3.31 1.43 1.79 0.96 -3.45 116.57 114.89 2p2k h LYS 35 Ca -0.31 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.01 2p2k h LYS 35 Cb 1.44 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.86 2p2k h LYS 35 CO 0.55 0.74 -0.45 0.15 -1.08 0.00 0.00 179.45 179.36 2p2k s LYS 36 N -2.78 0.41 0.15 3.15 1.02 -1.23 -5.00 119.74 115.46 2p2k s LYS 36 Ca 0.01 -0.06 0.02 0.00 0.02 0.00 0.00 55.97 55.96 2p2k s LYS 36 Cb 0.09 0.18 -0.04 0.00 -0.52 0.00 0.00 37.83 37.54 2p2k s LYS 36 CO 0.80 -0.09 -0.04 0.95 -0.92 0.00 0.00 175.35 176.05 2p2k s THR 37 N -0.72 0.81 0.01 2.17 -4.23 -1.26 -0.93 115.64 111.49 2p2k s THR 37 Ca -0.08 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 58.46 2p2k s THR 37 Cb -0.05 -1.94 -0.01 0.00 1.34 0.00 0.00 72.50 71.84 2p2k s THR 37 CO 0.01 -0.64 -0.06 0.00 -0.54 0.00 0.00 174.62 173.39 2p2k s ALA 38 N -3.56 0.50 0.36 3.99 0.00 0.46 -4.95 121.76 118.56 2p2k s ALA 38 Ca 0.19 -0.39 -0.28 0.00 0.00 0.00 0.00 51.96 51.48 2p2k s ALA 38 Cb 0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 23.12 22.99 2p2k s ALA 38 CO 0.01 0.08 1.44 0.21 0.00 0.00 0.00 175.76 177.50 2p2k s LYS 39 N -0.54 4.18 -0.08 0.00 2.20 -1.26 -0.83 119.74 123.41 2p2k s LYS 39 Ca -0.01 2.47 0.01 0.00 -0.36 0.00 0.00 55.97 58.08 2p2k s LYS 39 Cb -0.04 -3.00 0.02 0.00 -1.51 0.00 0.00 37.83 33.30 2p2k s LYS 39 CO -0.00 -0.44 -0.08 -0.46 -0.36 0.00 0.00 175.35 174.01 2p2k s TRP 40 N -1.08 1.30 -0.75 4.03 -0.00 0.50 -4.71 118.94 118.23 2p2k s TRP 40 Ca 0.52 -0.54 -0.22 0.00 -0.00 0.00 0.00 56.10 55.85 2p2k s TRP 40 Cb -0.45 -1.06 0.08 0.00 -0.00 0.00 0.00 33.47 32.04 2p2k s TRP 40 CO 0.60 -0.37 1.07 1.21 -0.00 0.00 0.00 176.95 179.45 2p2k s ASN 41 N 1.26 6.29 0.09 5.86 3.04 -1.26 -4.31 114.94 125.91 2p2k s ASN 41 Ca -0.04 -1.18 -0.31 0.00 0.04 0.00 0.00 52.86 51.37 2p2k s ASN 41 Cb -0.14 -2.44 -0.07 0.00 -1.54 0.00 0.00 41.25 37.06 2p2k s ASN 41 CO -0.03 -1.42 1.38 -0.32 -3.04 0.00 0.00 177.10 173.68 2p2k s MET 42 N 4.04 4.32 -0.49 0.43 -2.45 -1.26 -4.97 119.30 118.92 2p2k s MET 42 Ca 0.27 2.04 -0.15 0.00 -1.25 0.00 0.00 55.69 56.61 2p2k s MET 42 Cb -0.12 -3.31 0.10 0.00 1.25 0.00 0.00 34.83 32.74 2p2k s MET 42 CO 0.05 -0.45 0.41 -0.65 1.05 0.00 0.00 175.02 175.43 2p2k s GLN 43 N 1.33 2.91 -0.03 4.11 -0.21 -1.26 -5.03 119.66 121.48 2p2k s GLN 43 Ca 0.64 -1.51 -0.37 0.00 0.02 0.00 0.00 55.36 54.15 2p2k s GLN 43 Cb -0.36 -4.14 -0.15 0.00 1.00 0.00 0.00 33.01 29.37 2p2k s GLN 43 CO 0.30 -1.13 1.59 -1.71 -2.12 0.00 0.00 175.29 172.21 2p2k n ASN 44 N 5.17 2.42 0.00 5.90 2.85 -1.26 -1.41 115.26 128.93 2p2k n ASN 44 Ca -0.12 1.08 0.00 0.00 -0.11 0.00 0.00 54.58 55.42 2p2k n ASN 44 Cb 0.42 -1.25 0.00 0.00 1.24 0.00 0.00 39.78 40.19 2p2k n ASN 44 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2p2k n GLY 45 N 3.47 1.00 3.91 8.20 0.00 -0.25 -4.98 105.19 116.54 2p2k n GLY 45 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 2p2k n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p2k s LYS 46 N -0.17 3.56 -0.34 1.61 -0.14 -0.50 -4.94 119.74 118.82 2p2k s LYS 46 Ca 0.00 -0.22 -0.25 0.00 -1.36 0.00 0.00 55.97 54.14 2p2k s LYS 46 Cb 0.00 -2.83 0.01 0.00 -1.68 0.00 0.00 37.83 33.32 2p2k s LYS 46 CO 0.00 0.42 0.87 0.08 -0.76 0.00 0.00 175.35 175.96 2p2k s VAL 47 N -1.79 4.68 0.23 3.17 1.01 -1.26 -4.14 120.40 122.31 2p2k s VAL 47 Ca 0.40 1.20 0.06 0.00 0.00 0.00 0.00 61.98 63.63 2p2k s VAL 47 Cb -0.11 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 2p2k s VAL 47 CO 0.27 -0.41 0.25 -0.83 0.00 0.00 0.00 175.10 174.38 2p2k s GLY 48 N 1.75 1.39 -0.06 4.51 0.00 0.63 -4.30 107.32 111.24 2p2k s GLY 48 Ca 0.36 -1.32 0.05 0.00 0.00 0.00 0.00 44.72 43.80 2p2k s GLY 48 CO 0.16 -1.35 -0.21 -1.59 0.00 0.00 0.00 173.10 170.11 2p2k s THR 49 N -2.03 1.76 -0.17 0.90 2.01 -0.28 -0.79 115.64 117.04 2p2k s THR 49 Ca 0.33 -0.88 -0.01 0.00 0.31 0.00 0.00 61.69 61.44 2p2k s THR 49 Cb -0.09 -1.51 -0.01 0.00 0.01 0.00 0.00 72.50 70.91 2p2k s THR 49 CO 0.26 0.49 -0.11 0.00 -0.69 0.00 0.00 174.62 174.58 2p2k s ALA 50 N 0.11 2.65 -0.16 7.40 0.00 0.34 -0.99 121.76 131.12 2p2k s ALA 50 Ca -0.09 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 50.83 2p2k s ALA 50 Cb -0.14 -1.39 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 2p2k s ALA 50 CO 0.04 -0.07 -0.10 -1.01 0.00 0.00 0.00 175.76 174.62 2p2k s HIS 51 N 0.88 2.87 -0.07 0.00 3.76 0.17 -1.17 115.29 121.72 2p2k s HIS 51 Ca -0.03 -0.74 0.05 0.00 -0.15 0.00 0.00 55.06 54.18 2p2k s HIS 51 Cb -0.15 -1.93 -0.00 0.00 1.11 0.00 0.00 32.58 31.61 2p2k s HIS 51 CO 0.00 -0.32 -0.22 0.42 -0.85 0.00 0.00 174.74 173.77 2p2k s ILE 52 N 0.69 1.89 -0.07 0.60 1.09 0.15 -0.89 121.20 124.67 2p2k s ILE 52 Ca -0.05 -0.95 -0.01 0.00 -1.10 0.00 0.00 60.65 58.54 2p2k s ILE 52 Cb -0.15 -1.62 0.03 0.00 -1.06 0.00 0.00 42.46 39.65 2p2k s ILE 52 CO 0.02 0.53 -0.01 -0.63 -0.10 0.00 0.00 174.94 174.75 2p2k s ILE 53 N 0.14 0.40 -0.25 2.92 1.01 0.21 -0.52 121.20 125.11 2p2k s ILE 53 Ca -0.11 0.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.57 2p2k s ILE 53 Cb -0.15 -0.54 -0.01 0.00 0.01 0.00 0.00 42.46 41.78 2p2k s ILE 53 CO 0.06 0.25 0.01 -0.47 0.00 0.00 0.00 174.94 174.79 2p2k s TYR 54 N 1.79 3.04 -0.52 3.97 5.04 0.10 0.29 117.35 131.07 2p2k s TYR 54 Ca 0.02 -0.89 -0.18 0.00 -2.44 0.00 0.00 57.07 53.59 2p2k s TYR 54 Cb -0.13 -2.17 0.08 0.00 0.35 0.00 0.00 41.96 40.10 2p2k s TYR 54 CO -0.04 -0.53 0.58 1.21 -1.34 0.00 0.00 175.55 175.42 2p2k s ASN 55 N 1.50 6.19 0.42 4.32 2.47 -0.43 -1.81 114.94 127.60 2p2k s ASN 55 Ca 0.05 -1.24 0.08 0.00 0.42 0.00 0.00 52.86 52.17 2p2k s ASN 55 Cb -0.15 -2.26 0.88 0.00 -1.45 0.00 0.00 41.25 38.27 2p2k s ASN 55 CO -0.00 -0.89 2.04 -1.28 -3.72 0.00 0.00 177.10 173.25 2p2k h SER 56 N 8.97 0.38 0.06 -4.21 0.87 -1.84 0.88 113.55 118.65 2p2k h SER 56 Ca -0.28 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.17 2p2k h SER 56 Cb 1.10 -0.10 0.01 0.00 -0.44 0.00 0.00 62.40 62.97 2p2k h SER 56 CO 0.99 0.32 -0.34 0.58 -0.53 0.00 0.00 176.83 177.85 2p2k h VAL 57 N 0.43 1.67 0.00 2.23 2.07 -1.92 -3.20 116.25 117.53 2p2k h VAL 57 Ca 0.11 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.24 2p2k h VAL 57 Cb 0.03 3.27 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 2p2k h VAL 57 CO -0.02 0.65 0.00 0.61 0.02 0.00 0.00 177.57 178.83 2p2k n GLY 58 N 1.58 -1.06 3.85 2.17 0.00 -1.21 -4.91 105.19 105.61 2p2k n GLY 58 Ca -0.11 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 2p2k n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2p2k n LYS 59 N -1.42 -1.18 -3.71 1.61 5.02 0.22 -4.87 118.16 113.82 2p2k n LYS 59 Ca 0.06 0.32 -0.14 0.00 -2.02 0.00 0.00 58.31 56.54 2p2k n LYS 59 Cb 0.20 -3.68 -0.14 0.00 -0.02 0.00 0.00 35.03 31.39 2p2k n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2p2k s ARG 60 N -6.53 0.13 -0.21 1.97 3.52 -0.68 -1.03 118.95 116.12 2p2k s ARG 60 Ca 0.41 0.52 -0.07 0.00 -0.13 0.00 0.00 55.73 56.46 2p2k s ARG 60 Cb -0.17 -0.15 -0.03 0.00 -1.56 0.00 0.00 34.95 33.03 2p2k s ARG 60 CO 0.90 -0.21 0.06 -1.17 -0.81 0.00 0.00 175.30 174.08 2p2k s LEU 61 N 1.59 3.60 0.13 -0.88 2.96 -0.28 -1.31 118.68 124.49 2p2k s LEU 61 Ca -0.06 -0.07 0.07 0.00 -0.22 0.00 0.00 54.13 53.85 2p2k s LEU 61 Cb -0.11 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 2p2k s LEU 61 CO -0.07 0.07 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.43 2p2k s SER 62 N 0.96 2.24 0.00 3.68 0.01 0.15 -0.16 113.70 120.58 2p2k s SER 62 Ca 0.04 -0.79 -0.04 0.00 1.31 0.00 0.00 55.95 56.46 2p2k s SER 62 Cb -0.14 -0.10 -0.00 0.00 0.21 0.00 0.00 66.02 65.98 2p2k s SER 62 CO 0.03 -0.08 0.07 0.00 0.41 0.00 0.00 173.24 173.67 2p2k s ALA 63 N -1.91 -0.15 0.03 1.44 0.00 0.11 -0.62 121.76 120.65 2p2k s ALA 63 Ca 0.10 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 51.89 2p2k s ALA 63 Cb -0.06 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 2p2k s ALA 63 CO 0.04 -0.16 -0.10 0.08 0.00 0.00 0.00 175.76 175.62 2p2k s VAL 64 N -1.09 0.79 -0.09 0.00 1.01 -0.07 -0.59 120.40 120.36 2p2k s VAL 64 Ca -0.12 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 60.98 2p2k s VAL 64 Cb -0.07 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.58 2p2k s VAL 64 CO 0.00 -0.10 -0.08 -0.69 0.00 0.00 0.00 175.10 174.23 2p2k s VAL 65 N -0.89 0.95 0.16 2.92 1.01 -0.43 0.42 120.40 124.54 2p2k s VAL 65 Ca -0.02 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.70 2p2k s VAL 65 Cb -0.07 -0.95 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 2p2k s VAL 65 CO 0.01 0.34 -0.04 -0.94 0.00 0.00 0.00 175.10 174.47 2p2k s SER 66 N 1.34 1.43 0.19 3.32 1.04 -0.16 -0.73 113.70 120.13 2p2k s SER 66 Ca -0.02 -1.10 0.05 0.00 0.48 0.00 0.00 55.95 55.35 2p2k s SER 66 Cb -0.14 0.07 -0.05 0.00 0.10 0.00 0.00 66.02 66.00 2p2k s SER 66 CO -0.04 -0.48 -0.07 -0.31 0.98 0.00 0.00 173.24 173.33 2p2k s TYR 67 N -3.53 1.44 0.56 5.02 2.02 -0.70 -1.12 117.35 121.04 2p2k s TYR 67 Ca 0.20 -0.80 0.29 0.00 -0.37 0.00 0.00 57.07 56.39 2p2k s TYR 67 Cb 0.05 -0.77 1.74 0.00 -0.40 0.00 0.00 41.96 42.58 2p2k s TYR 67 CO 0.02 0.07 2.22 -1.35 -1.57 0.00 0.00 175.55 174.94 2p2k h PRO 68 N 2.63 0.00 0.00 -1.71 0.11 -1.89 0.11 132.00 131.25 2p2k h PRO 68 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2p2k h PRO 68 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2p2k h PRO 68 CO 0.64 0.02 0.00 0.27 -0.21 0.00 0.00 178.00 178.72 2p2k n ASN 69 N -3.85 0.00 0.00 -2.05 6.94 -1.26 -4.87 115.26 110.18 2p2k n ASN 69 Ca -0.03 -0.40 0.00 0.00 -0.02 0.00 0.00 54.58 54.13 2p2k n ASN 69 Cb 0.11 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.44 2p2k n ASN 69 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2p2k n GLY 70 N 0.21 1.32 3.71 4.83 0.00 0.40 -5.04 105.19 110.62 2p2k n GLY 70 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2p2k n GLY 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2p2k s ASP 71 N -2.22 6.39 0.07 1.61 -0.00 -1.25 -4.79 116.67 116.47 2p2k s ASP 71 Ca 0.00 2.83 -0.04 0.00 -0.00 0.00 0.00 52.55 55.34 2p2k s ASP 71 Cb 0.00 -2.58 -0.03 0.00 -0.00 0.00 0.00 42.92 40.31 2p2k s ASP 71 CO 0.00 -0.99 0.05 -0.94 -0.00 0.00 0.00 175.17 173.29 2p2k s SER 72 N 1.92 0.35 -0.01 0.27 1.04 -1.26 -1.72 113.70 114.30 2p2k s SER 72 Ca 0.78 -0.91 0.04 0.00 0.48 0.00 0.00 55.95 56.35 2p2k s SER 72 Cb -0.48 0.26 -0.01 0.00 0.10 0.00 0.00 66.02 65.88 2p2k s SER 72 CO 0.34 -0.66 -0.13 0.00 0.98 0.00 0.00 173.24 173.77 2p2k s ALA 73 N -3.91 1.08 0.10 5.32 0.00 0.09 -4.96 121.76 119.48 2p2k s ALA 73 Ca 0.08 -0.58 0.07 0.00 0.00 0.00 0.00 51.96 51.53 2p2k s ALA 73 Cb 0.07 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 2p2k s ALA 73 CO -0.09 0.26 -0.18 0.95 0.00 0.00 0.00 175.76 176.70 2p2k s THR 74 N -0.36 1.50 -0.08 0.00 -4.23 -1.26 -1.31 115.64 109.90 2p2k s THR 74 Ca 0.05 -1.49 -0.15 0.00 -1.18 0.00 0.00 61.69 58.92 2p2k s THR 74 Cb -0.05 -1.41 0.03 0.00 1.34 0.00 0.00 72.50 72.41 2p2k s THR 74 CO -0.00 -0.14 0.36 0.54 -0.54 0.00 0.00 174.62 174.83 2p2k s VAL 75 N -1.29 0.02 0.05 2.29 0.11 0.24 -4.48 120.40 117.35 2p2k s VAL 75 Ca 0.04 -0.21 0.02 0.00 -2.93 0.00 0.00 61.98 58.90 2p2k s VAL 75 Cb -0.10 -0.58 -0.03 0.00 -1.53 0.00 0.00 36.38 34.14 2p2k s VAL 75 CO 0.04 -0.11 -0.07 -0.55 -3.33 0.00 0.00 175.10 171.07 2p2k s SER 76 N -0.52 0.86 -0.14 3.54 0.15 -1.26 0.04 113.70 116.37 2p2k s SER 76 Ca -0.06 -0.65 -0.07 0.00 0.70 0.00 0.00 55.95 55.87 2p2k s SER 76 Cb -0.04 0.06 0.05 0.00 -1.71 0.00 0.00 66.02 64.38 2p2k s SER 76 CO 0.03 -0.27 0.33 -0.47 1.20 0.00 0.00 173.24 174.05 2p2k s TYR 77 N -1.88 -0.47 -0.19 3.44 5.04 0.78 -4.86 117.35 119.21 2p2k s TYR 77 Ca -0.06 1.04 -0.29 0.00 -2.44 0.00 0.00 57.07 55.32 2p2k s TYR 77 Cb -0.07 0.16 -0.01 0.00 0.35 0.00 0.00 41.96 42.39 2p2k s TYR 77 CO -0.01 -0.28 1.28 -0.51 -1.34 0.00 0.00 175.55 174.68 2p2k s ASP 78 N 1.28 6.89 -0.19 4.32 1.11 -1.26 -1.13 116.67 127.69 2p2k s ASP 78 Ca -0.09 1.62 -0.28 0.00 0.18 0.00 0.00 52.55 53.98 2p2k s ASP 78 Cb -0.09 -2.54 0.10 0.00 1.07 0.00 0.00 42.92 41.46 2p2k s ASP 78 CO -0.10 -0.82 0.88 0.54 1.18 0.00 0.00 175.17 176.85 2p2k s VAL 79 N 3.68 0.00 -0.41 -1.27 0.11 -0.19 -4.97 120.40 117.34 2p2k s VAL 79 Ca 0.55 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.54 2p2k s VAL 79 Cb -0.21 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.73 2p2k s VAL 79 CO 0.16 0.00 0.23 -0.62 -3.33 0.00 0.00 175.10 171.55 2p2k s ASP 80 N -0.48 5.47 0.44 3.54 2.15 -1.26 -3.79 116.67 122.74 2p2k s ASP 80 Ca -0.02 -1.69 0.31 0.00 0.43 0.00 0.00 52.55 51.57 2p2k s ASP 80 Cb -0.02 -1.92 1.43 0.00 -0.30 0.00 0.00 42.92 42.10 2p2k s ASP 80 CO 0.01 -0.54 1.92 -0.07 -0.17 0.00 0.00 175.17 176.32 2p2k h LEU 81 N 8.28 0.00 -1.82 -1.34 4.07 -1.95 -0.51 115.31 122.04 2p2k h LEU 81 Ca -0.20 0.00 0.19 0.00 0.08 0.00 0.00 57.88 57.96 2p2k h LEU 81 Cb 1.07 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.77 2p2k h LEU 81 CO 0.74 0.00 0.53 0.44 -1.08 0.00 0.00 178.44 179.06 2p2k h ASP 82 N 0.00 0.16 0.04 -0.43 5.19 -1.92 0.69 116.42 120.14 2p2k h ASP 82 Ca 0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2p2k h ASP 82 Cb 0.27 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.76 2p2k h ASP 82 CO 0.00 0.07 -0.16 0.59 -3.12 0.00 0.00 179.24 176.62 2p2k n ASN 83 N -4.39 1.93 -0.00 6.45 3.02 -0.20 -4.50 115.26 117.56 2p2k n ASN 83 Ca 0.15 -1.51 -0.04 0.00 -0.03 0.00 0.00 54.58 53.15 2p2k n ASN 83 Cb 0.71 0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 40.00 2p2k n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2p2k n VAL 84 N 0.28 0.87 -3.21 2.41 0.31 -0.33 -5.06 118.33 113.59 2p2k n VAL 84 Ca 0.14 0.15 -0.28 0.00 -0.01 0.00 0.00 64.34 64.34 2p2k n VAL 84 Cb 0.45 -1.68 -0.03 0.00 -0.91 0.00 0.00 33.84 31.67 2p2k n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2p2k s LEU 85 N -6.82 3.99 0.72 7.52 1.43 0.09 -4.96 118.68 120.65 2p2k s LEU 85 Ca -0.08 0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 53.68 2p2k s LEU 85 Cb 0.02 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.65 2p2k s LEU 85 CO 0.10 -0.26 1.10 -2.16 0.23 0.00 0.00 176.35 175.36 2p2k s PRO 86 N -3.74 2.50 0.24 1.29 0.04 -1.26 -4.79 135.00 129.29 2p2k s PRO 86 Ca 0.45 1.24 -0.04 0.00 0.04 0.00 0.00 61.00 62.69 2p2k s PRO 86 Cb -0.10 -1.92 0.42 0.00 0.04 0.00 0.00 34.50 32.93 2p2k s PRO 86 CO 0.32 -1.46 1.78 0.93 0.04 0.00 0.00 177.00 178.61 2p2k h GLU 87 N -0.66 0.66 -5.50 4.56 5.08 -1.94 -3.40 114.58 113.38 2p2k h GLU 87 Ca -0.45 -0.04 -0.64 0.00 -1.00 0.00 0.00 59.36 57.23 2p2k h GLU 87 Cb 1.24 -0.15 -0.13 0.00 0.50 0.00 0.00 28.75 30.20 2p2k h GLU 87 CO 0.53 0.43 -0.55 -1.58 -1.00 0.00 0.00 179.01 176.84 2p2k s TRP 88 N -6.02 3.33 0.13 4.33 0.52 -1.26 -0.14 118.94 119.83 2p2k s TRP 88 Ca -0.12 0.23 0.00 0.00 0.02 0.00 0.00 56.10 56.23 2p2k s TRP 88 Cb 0.20 -2.00 -0.04 0.00 -1.15 0.00 0.00 33.47 30.48 2p2k s TRP 88 CO 0.77 0.37 0.01 0.14 0.02 0.00 0.00 176.95 178.26 2p2k s VAL 89 N -0.21 0.42 0.12 4.03 -7.23 -0.41 -4.08 120.40 113.05 2p2k s VAL 89 Ca 0.08 -1.93 0.04 0.00 -1.81 0.00 0.00 61.98 58.37 2p2k s VAL 89 Cb -0.12 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 2p2k s VAL 89 CO 0.01 -0.60 0.08 -0.13 -0.31 0.00 0.00 175.10 174.16 2p2k s ARG 90 N -3.95 2.80 0.07 4.82 0.52 0.14 -0.21 118.95 123.13 2p2k s ARG 90 Ca 0.20 -0.82 0.07 0.00 -0.52 0.00 0.00 55.73 54.65 2p2k s ARG 90 Cb 0.07 -2.63 -0.04 0.00 0.52 0.00 0.00 34.95 32.87 2p2k s ARG 90 CO 0.00 0.52 -0.12 0.14 0.02 0.00 0.00 175.30 175.86 2p2k s VAL 91 N -1.55 3.22 0.23 3.52 -7.23 -1.26 -0.34 120.40 116.98 2p2k s VAL 91 Ca 0.29 -1.19 -0.22 0.00 -1.81 0.00 0.00 61.98 59.06 2p2k s VAL 91 Cb -0.11 -2.45 0.06 0.00 0.56 0.00 0.00 36.38 34.44 2p2k s VAL 91 CO 0.22 0.21 0.92 -0.83 -0.31 0.00 0.00 175.10 175.31 2p2k s GLY 92 N -1.88 0.03 -0.04 2.32 0.00 0.14 -1.20 107.32 106.70 2p2k s GLY 92 Ca 0.19 -0.27 0.06 0.00 0.00 0.00 0.00 44.72 44.69 2p2k s GLY 92 CO 0.10 0.73 -0.23 1.08 0.00 0.00 0.00 173.10 174.79 2p2k s LEU 93 N -3.12 2.03 0.04 0.66 1.43 0.12 -0.16 118.68 119.68 2p2k s LEU 93 Ca 0.16 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 52.86 2p2k s LEU 93 Cb -0.03 -1.23 -0.02 0.00 0.03 0.00 0.00 46.19 44.94 2p2k s LEU 93 CO 0.06 0.24 -0.14 -0.55 0.23 0.00 0.00 176.35 176.18 2p2k s SER 94 N -0.25 1.71 0.12 2.29 0.15 0.13 -0.69 113.70 117.16 2p2k s SER 94 Ca 0.01 -0.49 -0.13 0.00 0.70 0.00 0.00 55.95 56.04 2p2k s SER 94 Cb -0.12 -0.10 0.02 0.00 -1.71 0.00 0.00 66.02 64.11 2p2k s SER 94 CO 0.02 0.02 0.32 0.00 1.20 0.00 0.00 173.24 174.80 2p2k s ALA 95 N -0.92 -0.62 0.09 5.45 0.00 -0.45 0.11 121.76 125.42 2p2k s ALA 95 Ca 0.01 -0.31 -0.14 0.00 0.00 0.00 0.00 51.96 51.52 2p2k s ALA 95 Cb -0.08 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.69 2p2k s ALA 95 CO 0.01 -0.60 0.33 -1.54 0.00 0.00 0.00 175.76 173.97 2p2k s SER 96 N -2.84 -0.14 0.25 0.00 1.04 -1.02 -1.53 113.70 109.47 2p2k s SER 96 Ca 0.05 -0.32 0.06 0.00 0.48 0.00 0.00 55.95 56.22 2p2k s SER 96 Cb 0.03 0.41 -0.05 0.00 0.10 0.00 0.00 66.02 66.51 2p2k s SER 96 CO -0.11 -0.74 -0.06 0.42 0.98 0.00 0.00 173.24 173.73 2p2k s THR 97 N -3.33 1.48 0.00 2.02 -4.23 1.00 -0.18 115.64 112.39 2p2k s THR 97 Ca 0.00 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 2p2k s THR 97 Cb 0.02 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.53 2p2k s THR 97 CO -0.08 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 2p2k n GLY 98 N -0.49 3.74 0.17 3.99 0.00 -1.26 -1.17 105.19 110.17 2p2k n GLY 98 Ca -0.06 -0.43 0.02 0.00 0.00 0.00 0.00 46.02 45.55 2p2k n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2p2k h LEU 99 N 0.00 0.00 -9.87 0.99 3.38 -1.97 0.29 115.31 108.12 2p2k h LEU 99 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 2p2k h LEU 99 Cb 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 2p2k h LEU 99 CO 0.00 0.46 -0.53 -0.31 0.09 0.00 0.00 178.44 178.16 2p2k s TYR 100 N -3.88 2.93 0.24 1.13 2.02 -1.26 -4.94 117.35 113.60 2p2k s TYR 100 Ca -0.02 -0.22 -0.09 0.00 -0.37 0.00 0.00 57.07 56.37 2p2k s TYR 100 Cb 0.13 -1.51 -0.01 0.00 -0.40 0.00 0.00 41.96 40.17 2p2k s TYR 100 CO 0.73 0.42 0.40 -1.59 -1.57 0.00 0.00 175.55 173.94 2p2k s LYS 101 N -3.86 1.49 -0.02 -0.62 0.00 -1.23 -4.39 119.74 111.10 2p2k s LYS 101 Ca 0.35 -1.37 -0.29 0.00 0.00 0.00 0.00 55.97 54.66 2p2k s LYS 101 Cb -0.06 0.42 0.10 0.00 0.00 0.00 0.00 37.83 38.29 2p2k s LYS 101 CO 0.24 -0.59 0.90 -1.83 0.00 0.00 0.00 175.35 174.07 2p2k s GLU 102 N -3.99 0.80 0.42 1.78 -1.05 -0.98 -3.38 118.70 112.30 2p2k s GLU 102 Ca 0.27 -0.26 -0.24 0.00 -0.15 0.00 0.00 54.97 54.59 2p2k s GLU 102 Cb 0.01 0.37 -0.08 0.00 -0.44 0.00 0.00 34.13 33.99 2p2k s GLU 102 CO 0.10 -0.34 1.14 0.95 0.95 0.00 0.00 175.26 178.06 2p2k s THR 103 N -2.95 3.26 -0.51 1.83 -4.23 0.59 -4.69 115.64 108.95 2p2k s THR 103 Ca 0.04 1.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.63 2p2k s THR 103 Cb -0.01 -3.54 0.31 0.00 1.34 0.00 0.00 72.50 70.61 2p2k s THR 103 CO -0.08 0.04 0.79 0.59 -0.54 0.00 0.00 174.62 175.42 2p2k n ASN 104 N -0.12 2.74 -4.68 3.99 3.02 -1.26 -3.64 115.26 115.30 2p2k n ASN 104 Ca 0.05 -3.32 -0.39 0.00 -0.03 0.00 0.00 54.58 50.89 2p2k n ASN 104 Cb 0.48 -0.61 -0.06 0.00 -0.61 0.00 0.00 39.78 38.98 2p2k n ASN 104 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2p2k s THR 105 N -3.07 5.07 -0.23 3.41 2.01 -1.09 -1.13 115.64 120.60 2p2k s THR 105 Ca 0.43 1.15 -0.10 0.00 0.31 0.00 0.00 61.69 63.48 2p2k s THR 105 Cb 0.26 -3.92 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 2p2k s THR 105 CO -0.09 0.18 0.15 -0.63 -0.69 0.00 0.00 174.62 173.54 2p2k s ILE 106 N 1.45 5.35 -0.10 1.82 -1.09 0.47 -0.83 121.20 128.27 2p2k s ILE 106 Ca 0.29 0.17 0.21 0.00 -2.23 0.00 0.00 60.65 59.09 2p2k s ILE 106 Cb -0.16 -3.49 -0.26 0.00 -1.58 0.00 0.00 42.46 36.98 2p2k s ILE 106 CO 0.11 0.36 0.52 0.18 -1.23 0.00 0.00 174.94 174.88 2p2k n LEU 107 N 4.20 0.21 -3.49 2.97 4.32 -0.16 -0.41 117.00 124.64 2p2k n LEU 107 Ca -0.15 0.08 -0.13 0.00 -0.02 0.00 0.00 56.01 55.80 2p2k n LEU 107 Cb 0.52 0.09 -0.04 0.00 -1.62 0.00 0.00 43.42 42.38 2p2k n LEU 107 CO 0.35 0.08 0.52 -0.94 -1.22 0.00 0.00 177.39 176.19 2p2k s SER 108 N -4.95 -0.53 -0.28 -1.43 1.04 -1.22 -4.45 113.70 101.90 2p2k s SER 108 Ca -0.07 0.27 -0.13 0.00 0.48 0.00 0.00 55.95 56.50 2p2k s SER 108 Cb 0.11 0.50 0.10 0.00 0.10 0.00 0.00 66.02 66.83 2p2k s SER 108 CO 0.87 -0.71 0.65 0.86 0.98 0.00 0.00 173.24 175.89 2p2k s TRP 109 N -2.50 -1.13 0.19 5.02 -0.00 0.35 -1.25 118.94 119.61 2p2k s TRP 109 Ca -0.02 2.14 0.07 0.00 -0.00 0.00 0.00 56.10 58.29 2p2k s TRP 109 Cb -0.01 0.67 -0.05 0.00 -0.00 0.00 0.00 33.47 34.08 2p2k s TRP 109 CO -0.03 -0.57 -0.13 -1.54 -0.00 0.00 0.00 176.95 174.67 2p2k s SER 110 N 2.14 2.39 -0.16 5.86 1.04 0.55 0.24 113.70 125.76 2p2k s SER 110 Ca -0.08 -1.02 -0.14 0.00 0.48 0.00 0.00 55.95 55.19 2p2k s SER 110 Cb -0.08 -0.11 0.04 0.00 0.10 0.00 0.00 66.02 65.97 2p2k s SER 110 CO -0.19 -0.21 0.42 0.12 0.98 0.00 0.00 173.24 174.36 2p2k s PHE 111 N -3.05 -0.47 -0.05 5.02 5.36 0.45 -1.34 117.98 123.89 2p2k s PHE 111 Ca 0.21 1.14 0.01 0.00 -0.96 0.00 0.00 56.93 57.34 2p2k s PHE 111 Cb 0.00 0.17 0.02 0.00 -0.34 0.00 0.00 43.02 42.87 2p2k s PHE 111 CO 0.05 -0.23 -0.07 0.99 -1.46 0.00 0.00 175.22 174.50 2p2k s THR 112 N 0.34 0.70 -0.01 0.12 2.01 -0.03 -0.46 115.64 118.31 2p2k s THR 112 Ca -0.01 -0.23 0.08 0.00 0.31 0.00 0.00 61.69 61.84 2p2k s THR 112 Cb -0.03 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.76 2p2k s THR 112 CO -0.01 0.26 -0.24 -0.55 -0.69 0.00 0.00 174.62 173.39 2p2k s SER 113 N 0.82 2.86 -0.04 3.53 0.15 0.12 -0.85 113.70 120.29 2p2k s SER 113 Ca -0.13 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.08 2p2k s SER 113 Cb -0.15 -0.31 0.02 0.00 -1.71 0.00 0.00 66.02 63.87 2p2k s SER 113 CO 0.01 0.29 -0.05 -0.54 1.20 0.00 0.00 173.24 174.15 2p2k s LYS 114 N -0.67 0.75 -0.32 5.44 1.02 -0.37 -0.55 119.74 125.05 2p2k s LYS 114 Ca 0.10 -0.12 -0.04 0.00 0.02 0.00 0.00 55.97 55.93 2p2k s LYS 114 Cb -0.09 -0.76 0.05 0.00 -0.52 0.00 0.00 37.83 36.50 2p2k s LYS 114 CO -0.00 -0.04 0.05 -0.51 -0.92 0.00 0.00 175.35 173.92 2p2k s LEU 115 N 0.72 4.10 -0.23 3.17 1.43 0.73 -2.00 118.68 126.59 2p2k s LEU 115 Ca -0.09 -1.22 -0.07 0.00 -1.03 0.00 0.00 54.13 51.72 2p2k s LEU 115 Cb -0.12 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 2p2k s LEU 115 CO 0.00 -0.29 0.05 -0.54 0.23 0.00 0.00 176.35 175.80 2p2k s LYS 116 N 1.32 3.66 0.00 1.70 1.02 -0.12 -0.75 119.74 126.57 2p2k s LYS 116 Ca -0.04 -0.48 0.00 0.00 0.02 0.00 0.00 55.97 55.47 2p2k s LYS 116 Cb -0.20 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 33.86 2p2k s LYS 116 CO 0.01 -0.11 0.00 0.43 -0.92 0.00 0.00 175.35 174.76 2p2k n SER 117 N 4.66 0.00 -0.95 2.83 7.64 -1.26 0.24 113.62 126.79 2p2k n SER 117 Ca -0.16 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.80 2p2k n SER 117 Cb 0.52 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.98 2p2k n SER 117 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2p2k n ASN 118 N 0.00 3.95 0.00 6.43 3.02 -1.26 -4.59 115.26 122.81 2p2k n ASN 118 Ca 0.00 -2.94 0.00 0.00 -0.03 0.00 0.00 54.58 51.61 2p2k n ASN 118 Cb 0.00 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 2p2k n ASN 118 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2p2k n GLU 122 N -0.35 0.00 -5.15 3.52 2.13 -1.26 -5.17 120.64 114.37 2p2k n GLU 122 Ca 0.21 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.71 2p2k n GLU 122 Cb 0.88 0.00 -0.16 0.00 0.27 0.00 0.00 31.44 32.43 2p2k n GLU 122 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2p2k s THR 123 N 2.50 2.24 -0.11 6.31 2.01 -1.26 -4.26 115.64 123.08 2p2k s THR 123 Ca 0.00 -0.96 -0.06 0.00 0.31 0.00 0.00 61.69 60.98 2p2k s THR 123 Cb 0.00 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 2p2k s THR 123 CO 0.00 0.56 0.14 0.20 -0.69 0.00 0.00 174.62 174.83 2p2k s ASN 124 N 0.26 6.35 0.04 3.53 -0.87 0.07 -4.96 114.94 119.35 2p2k s ASN 124 Ca -0.15 0.45 -0.06 0.00 -1.57 0.00 0.00 52.86 51.53 2p2k s ASN 124 Cb -0.17 -2.04 -0.01 0.00 -0.02 0.00 0.00 41.25 39.01 2p2k s ASN 124 CO 0.08 0.39 0.11 0.00 -2.57 0.00 0.00 177.10 175.11 2p2k s ALA 125 N -1.06 -0.10 -0.03 0.60 0.00 -1.26 -0.20 121.76 119.71 2p2k s ALA 125 Ca 0.16 -0.51 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 2p2k s ALA 125 Cb -0.12 0.25 0.03 0.00 0.00 0.00 0.00 23.12 23.28 2p2k s ALA 125 CO 0.05 -0.32 0.06 -1.17 0.00 0.00 0.00 175.76 174.38 2p2k s LEU 126 N -2.09 0.79 -0.02 0.00 2.96 0.29 -4.98 118.68 115.62 2p2k s LEU 126 Ca -0.05 0.09 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 2p2k s LEU 126 Cb -0.01 -0.02 -0.00 0.00 0.50 0.00 0.00 46.19 46.66 2p2k s LEU 126 CO -0.04 -0.16 -0.11 -2.28 -1.32 0.00 0.00 176.35 172.43 2p2k s HIS 127 N 1.37 1.09 0.04 5.38 5.65 -1.26 0.15 115.29 127.71 2p2k s HIS 127 Ca -0.06 -0.24 0.00 0.00 0.25 0.00 0.00 55.06 55.01 2p2k s HIS 127 Cb -0.13 -0.73 -0.03 0.00 -1.18 0.00 0.00 32.58 30.51 2p2k s HIS 127 CO -0.03 -0.06 -0.04 -0.59 -0.65 0.00 0.00 174.74 173.36 2p2k s PHE 128 N -0.07 0.44 -0.03 3.88 -0.12 0.40 -4.98 117.98 117.49 2p2k s PHE 128 Ca 0.01 -0.71 0.00 0.00 -0.05 0.00 0.00 56.93 56.18 2p2k s PHE 128 Cb -0.07 -0.30 0.03 0.00 -0.63 0.00 0.00 43.02 42.05 2p2k s PHE 128 CO 0.00 -0.23 0.01 1.41 -0.05 0.00 0.00 175.22 176.36 2p2k s MET 129 N -2.38 0.22 -0.24 1.99 1.75 -1.26 -0.41 119.30 118.97 2p2k s MET 129 Ca -0.06 0.11 0.01 0.00 -1.25 0.00 0.00 55.69 54.50 2p2k s MET 129 Cb -0.04 -0.44 0.04 0.00 2.84 0.00 0.00 34.83 37.23 2p2k s MET 129 CO -0.04 -0.15 -0.11 -0.06 -0.65 0.00 0.00 175.02 174.01 2p2k s PHE 130 N 1.10 3.12 -0.97 4.11 0.08 0.14 -4.92 117.98 120.63 2p2k s PHE 130 Ca -0.09 -1.97 0.17 0.00 0.12 0.00 0.00 56.93 55.16 2p2k s PHE 130 Cb -0.13 -1.97 -0.14 0.00 -0.57 0.00 0.00 43.02 40.20 2p2k s PHE 130 CO -0.02 -0.82 0.75 0.09 -0.10 0.00 0.00 175.22 175.11 2p2k n ASN 131 N 4.54 1.00 -3.83 1.36 3.02 -1.26 -0.50 115.26 119.59 2p2k n ASN 131 Ca -0.16 -1.00 -0.12 0.00 -0.03 0.00 0.00 54.58 53.27 2p2k n ASN 131 Cb 0.45 0.88 -0.12 0.00 -0.61 0.00 0.00 39.78 40.38 2p2k n ASN 131 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2p2k s GLN 132 N -2.43 0.27 -0.11 3.52 1.03 -1.26 -4.73 119.66 115.95 2p2k s GLN 132 Ca 0.08 0.06 0.01 0.00 0.04 0.00 0.00 55.36 55.55 2p2k s GLN 132 Cb 0.13 0.12 -0.02 0.00 0.03 0.00 0.00 33.01 33.28 2p2k s GLN 132 CO 0.62 -0.05 -0.14 -0.06 -2.54 0.00 0.00 175.29 173.12 2p2k s PHE 133 N -0.32 2.76 0.41 9.60 0.40 0.11 -5.00 117.98 125.95 2p2k s PHE 133 Ca -0.04 -0.56 -0.05 0.00 -0.60 0.00 0.00 56.93 55.68 2p2k s PHE 133 Cb -0.03 -1.78 -0.04 0.00 0.51 0.00 0.00 43.02 41.68 2p2k s PHE 133 CO 0.01 -0.13 0.70 -1.12 0.70 0.00 0.00 175.22 175.37 2p2k s SER 134 N 0.09 6.34 0.27 1.36 0.01 -1.26 -3.33 113.70 117.17 2p2k s SER 134 Ca -0.06 0.83 -0.04 0.00 1.31 0.00 0.00 55.95 57.99 2p2k s SER 134 Cb -0.15 -2.20 0.54 0.00 0.21 0.00 0.00 66.02 64.42 2p2k s SER 134 CO 0.05 -0.43 1.62 0.11 0.41 0.00 0.00 173.24 174.99 2p2k h LYS 135 N 0.73 0.09 -3.28 12.44 6.56 -1.46 -3.09 116.57 128.55 2p2k h LYS 135 Ca -0.48 -0.01 -0.67 0.00 -1.06 0.00 0.00 60.65 58.44 2p2k h LYS 135 Cb 1.20 -0.02 -0.38 0.00 -0.57 0.00 0.00 32.23 32.46 2p2k h LYS 135 CO 0.63 0.06 -0.36 0.34 -2.06 0.00 0.00 179.45 178.06 2p2k s ASP 136 N -5.14 5.30 -0.96 0.86 2.15 -1.26 -4.63 116.67 112.98 2p2k s ASP 136 Ca -0.13 -3.56 -0.17 0.00 0.43 0.00 0.00 52.55 49.11 2p2k s ASP 136 Cb 0.24 -1.78 0.15 0.00 -0.30 0.00 0.00 42.92 41.24 2p2k s ASP 136 CO 0.76 -0.18 1.12 -1.58 -0.17 0.00 0.00 175.17 175.12 2p2k s GLN 137 N -1.08 3.69 0.51 4.34 2.00 -1.17 -4.85 119.66 123.09 2p2k s GLN 137 Ca 0.24 -2.02 0.30 0.00 -2.00 0.00 0.00 55.36 51.87 2p2k s GLN 137 Cb -0.10 -4.86 1.19 0.00 0.80 0.00 0.00 33.01 30.04 2p2k s GLN 137 CO -0.11 -1.69 1.93 0.87 -0.50 0.00 0.00 175.29 175.78 2p2k h LYS 138 N 8.37 0.00 -0.46 1.67 1.57 -1.94 -1.64 116.57 124.14 2p2k h LYS 138 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2p2k h LYS 138 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2p2k h LYS 138 CO 1.08 0.09 0.00 -0.40 -0.57 0.00 0.00 179.45 179.65 2p2k n ASP 139 N -3.23 2.38 -4.34 0.86 5.75 -1.26 -4.77 116.55 111.94 2p2k n ASP 139 Ca 0.00 -2.06 -0.32 0.00 -0.01 0.00 0.00 54.79 52.40 2p2k n ASP 139 Cb 0.35 -0.31 -0.15 0.00 -1.03 0.00 0.00 41.12 39.97 2p2k n ASP 139 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2p2k s LEU 140 N -1.06 2.41 -0.47 -2.12 1.43 -0.62 -0.85 118.68 117.40 2p2k s LEU 140 Ca 0.28 -0.39 -0.22 0.00 -1.03 0.00 0.00 54.13 52.77 2p2k s LEU 140 Cb 0.15 -1.49 0.03 0.00 0.03 0.00 0.00 46.19 44.92 2p2k s LEU 140 CO 0.18 0.24 0.76 -0.63 0.23 0.00 0.00 176.35 177.13 2p2k s ILE 141 N -0.10 4.67 -0.02 -0.59 1.01 0.90 -4.88 121.20 122.19 2p2k s ILE 141 Ca -0.04 0.21 -0.21 0.00 0.00 0.00 0.00 60.65 60.61 2p2k s ILE 141 Cb -0.14 -4.34 -0.05 0.00 0.01 0.00 0.00 42.46 37.94 2p2k s ILE 141 CO 0.04 -0.78 0.62 -0.76 0.00 0.00 0.00 174.94 174.05 2p2k s LEU 142 N 3.23 4.39 0.05 2.97 1.43 -1.26 -0.65 118.68 128.84 2p2k s LEU 142 Ca 0.26 1.16 0.08 0.00 -1.03 0.00 0.00 54.13 54.61 2p2k s LEU 142 Cb -0.14 -2.96 -0.03 0.00 0.03 0.00 0.00 46.19 43.10 2p2k s LEU 142 CO 0.20 0.05 -0.21 -1.10 0.23 0.00 0.00 176.35 175.52 2p2k s GLN 143 N 0.03 1.40 6.90 1.70 -0.21 0.62 -4.97 119.66 125.12 2p2k s GLN 143 Ca 0.32 -0.99 0.00 0.00 0.02 0.00 0.00 55.36 54.71 2p2k s GLN 143 Cb -0.18 -1.55 0.00 0.00 1.00 0.00 0.00 33.01 32.28 2p2k s GLN 143 CO 0.17 0.39 0.00 0.41 -2.12 0.00 0.00 175.29 174.14 2p2k n GLY 144 N 1.73 2.61 0.40 3.09 0.00 -1.26 -1.50 105.19 110.25 2p2k n GLY 144 Ca -0.17 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 45.65 2p2k n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2p2k n ASP 145 N 4.47 1.35 -4.75 1.61 8.00 0.66 -4.91 116.55 122.98 2p2k n ASP 145 Ca 0.00 -1.29 -0.42 0.00 0.71 0.00 0.00 54.79 53.80 2p2k n ASP 145 Cb 0.00 0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.13 2p2k n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2p2k s ALA 146 N -2.18 3.75 0.06 2.24 0.00 -1.00 -4.34 121.76 120.29 2p2k s ALA 146 Ca 0.33 1.55 -0.00 0.00 0.00 0.00 0.00 51.96 53.84 2p2k s ALA 146 Cb 0.20 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 2p2k s ALA 146 CO 0.40 -0.96 -0.04 0.95 0.00 0.00 0.00 175.76 176.11 2p2k s THR 147 N 0.10 0.33 0.30 0.00 -4.23 -0.12 -4.66 115.64 107.35 2p2k s THR 147 Ca 0.64 -1.79 0.09 0.00 -1.18 0.00 0.00 61.69 59.46 2p2k s THR 147 Cb -0.47 -1.49 -0.05 0.00 1.34 0.00 0.00 72.50 71.83 2p2k s THR 147 CO 0.46 -0.94 0.01 0.42 -0.54 0.00 0.00 174.62 174.03 2p2k s THR 148 N -3.70 3.10 0.91 3.99 -4.23 -1.26 -0.38 115.64 114.06 2p2k s THR 148 Ca 0.07 -1.93 -0.15 0.00 -1.18 0.00 0.00 61.69 58.49 2p2k s THR 148 Cb 0.06 -2.81 0.23 0.00 1.34 0.00 0.00 72.50 71.32 2p2k s THR 148 CO -0.08 -0.30 0.75 0.61 -0.54 0.00 0.00 174.62 175.05 2p2k n GLY 149 N -0.93 -2.92 3.55 3.99 0.00 0.23 -4.36 105.19 104.76 2p2k n GLY 149 Ca -0.05 -1.44 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 2p2k n GLY 149 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2p2k s THR 150 N -2.29 1.81 0.00 2.61 -4.23 -1.26 -1.49 115.64 110.79 2p2k s THR 150 Ca 0.50 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 61.00 2p2k s THR 150 Cb -0.06 -2.32 -0.05 0.00 1.34 0.00 0.00 72.50 71.42 2p2k s THR 150 CO 0.39 0.00 1.17 0.47 -0.54 0.00 0.00 174.62 176.11 2p2k n ASP 151 N -4.73 1.99 -0.85 3.99 8.00 -1.26 -4.47 116.55 119.22 2p2k n ASP 151 Ca 0.07 -1.68 -0.11 0.00 0.71 0.00 0.00 54.79 53.78 2p2k n ASP 151 Cb 0.57 -0.47 -0.04 0.00 -0.02 0.00 0.00 41.12 41.16 2p2k n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2p2k n GLY 152 N 2.27 1.05 3.73 0.44 0.00 -1.26 -4.97 105.19 106.45 2p2k n GLY 152 Ca 0.07 -0.54 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 2p2k n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2p2k s ASN 153 N -2.85 4.85 -0.26 1.61 0.01 -1.26 0.09 114.94 117.13 2p2k s ASN 153 Ca 0.00 -0.60 -0.10 0.00 -0.71 0.00 0.00 52.86 51.45 2p2k s ASN 153 Cb 0.00 -0.92 -0.04 0.00 0.41 0.00 0.00 41.25 40.69 2p2k s ASN 153 CO 0.00 -0.15 0.15 -0.22 -1.51 0.00 0.00 177.10 175.37 2p2k s LEU 154 N -3.80 3.89 -0.45 0.60 2.96 0.45 -0.60 118.68 121.73 2p2k s LEU 154 Ca 0.35 -0.04 -0.09 0.00 -0.22 0.00 0.00 54.13 54.13 2p2k s LEU 154 Cb -0.05 -2.06 0.10 0.00 0.50 0.00 0.00 46.19 44.68 2p2k s LEU 154 CO 0.22 -0.02 0.31 -1.61 -1.32 0.00 0.00 176.35 173.94 2p2k s GLU 155 N 1.57 2.54 0.32 1.98 0.41 0.48 0.18 118.70 126.18 2p2k s GLU 155 Ca 0.07 -1.63 0.07 0.00 -0.41 0.00 0.00 54.97 53.06 2p2k s GLU 155 Cb -0.15 -3.87 0.55 0.00 -1.78 0.00 0.00 34.13 28.88 2p2k s GLU 155 CO 0.08 -1.09 1.77 -0.07 -0.49 0.00 0.00 175.26 175.46 2p2k h LEU 156 N 8.44 0.29 -9.19 1.80 3.38 -1.38 -0.29 115.31 118.35 2p2k h LEU 156 Ca -0.22 -0.09 -0.54 0.00 0.09 0.00 0.00 57.88 57.12 2p2k h LEU 156 Cb 1.08 -0.08 -0.14 0.00 0.09 0.00 0.00 40.66 41.61 2p2k h LEU 156 CO 0.82 0.57 -0.70 0.42 0.09 0.00 0.00 178.44 179.65 2p2k s THR 157 N -4.40 1.93 0.10 0.22 -4.23 -1.26 -2.36 115.64 105.64 2p2k s THR 157 Ca -0.05 -2.20 -0.31 0.00 -1.18 0.00 0.00 61.69 57.95 2p2k s THR 157 Cb 0.14 -2.43 -0.10 0.00 1.34 0.00 0.00 72.50 71.45 2p2k s THR 157 CO 0.76 -0.33 1.83 -0.13 -0.54 0.00 0.00 174.62 176.21 2p2k s ARG 158 N -3.66 4.14 -0.00 3.99 1.81 -1.26 -4.74 118.95 119.23 2p2k s ARG 158 Ca 0.29 2.56 0.05 0.00 -1.72 0.00 0.00 55.73 56.92 2p2k s ARG 158 Cb 0.02 -3.67 -0.01 0.00 -0.45 0.00 0.00 34.95 30.83 2p2k s ARG 158 CO 0.13 -0.85 -0.15 0.14 -0.68 0.00 0.00 175.30 173.89 2p2k s VAL 159 N 2.97 1.20 0.65 3.52 -7.23 -1.26 -0.21 120.40 120.04 2p2k s VAL 159 Ca 0.81 -0.72 -0.16 0.00 -1.81 0.00 0.00 61.98 60.11 2p2k s VAL 159 Cb -0.45 -1.02 -0.00 0.00 0.56 0.00 0.00 36.38 35.47 2p2k s VAL 159 CO 0.36 0.29 1.14 -0.94 -0.31 0.00 0.00 175.10 175.64 2p2k s SER 160 N -0.49 5.03 0.48 4.85 1.04 0.87 -4.83 113.70 120.65 2p2k s SER 160 Ca 0.05 2.11 0.29 0.00 0.48 0.00 0.00 55.95 58.89 2p2k s SER 160 Cb -0.06 -2.56 1.60 0.00 0.10 0.00 0.00 66.02 65.10 2p2k s SER 160 CO -0.00 -1.69 1.89 -1.28 0.98 0.00 0.00 173.24 173.14 2p2k h SER 161 N 0.19 0.00 -0.32 7.02 0.87 -2.01 0.20 113.55 119.50 2p2k h SER 161 Ca -0.48 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.01 2p2k h SER 161 Cb 1.26 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.18 2p2k h SER 161 CO 0.54 0.00 0.00 0.59 -0.53 0.00 0.00 176.83 177.43 2p2k n ASN 162 N -2.58 3.47 0.00 6.23 4.13 -1.26 -4.93 115.26 120.31 2p2k n ASN 162 Ca -0.02 -3.26 0.00 0.00 1.68 0.00 0.00 54.58 52.98 2p2k n ASN 162 Cb 0.12 -0.58 0.00 0.00 -1.54 0.00 0.00 39.78 37.78 2p2k n ASN 162 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2p2k n GLY 163 N -0.72 0.40 3.57 7.41 0.00 0.70 -5.06 105.19 111.49 2p2k n GLY 163 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 2p2k n GLY 163 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2p2k s SER 164 N -2.09 6.44 0.48 1.61 0.15 -1.23 -4.67 113.70 114.39 2p2k s SER 164 Ca 0.00 0.13 -0.24 0.00 0.70 0.00 0.00 55.95 56.54 2p2k s SER 164 Cb 0.00 -2.34 -0.07 0.00 -1.71 0.00 0.00 66.02 61.90 2p2k s SER 164 CO 0.00 -0.65 1.39 -2.84 1.20 0.00 0.00 173.24 172.34 2p2k s PRO 165 N 2.82 3.54 -0.09 5.44 0.02 -1.26 -0.09 135.00 145.37 2p2k s PRO 165 Ca 0.26 2.33 -0.04 0.00 0.02 0.00 0.00 61.00 63.57 2p2k s PRO 165 Cb -0.14 -2.54 -0.04 0.00 0.02 0.00 0.00 34.50 31.81 2p2k s PRO 165 CO 0.16 -0.90 0.08 -0.65 -0.33 0.00 0.00 177.00 175.35 2p2k s GLN 166 N -2.58 3.20 0.87 5.54 -1.52 0.70 -4.83 119.66 121.04 2p2k s GLN 166 Ca 0.64 -0.29 -0.12 0.00 -1.95 0.00 0.00 55.36 53.64 2p2k s GLN 166 Cb -0.42 -2.98 0.11 0.00 -0.22 0.00 0.00 33.01 29.50 2p2k s GLN 166 CO 0.53 0.73 1.15 0.20 -0.25 0.00 0.00 175.29 177.65 2p2k s GLY 167 N -1.06 1.58 -1.47 3.09 0.00 -1.26 -4.23 107.32 103.98 2p2k s GLY 167 Ca 0.15 -0.56 -0.08 0.00 0.00 0.00 0.00 44.72 44.23 2p2k s GLY 167 CO 0.05 -0.03 0.76 1.44 0.00 0.00 0.00 173.10 175.31 2p2k n SER 168 N -3.59 -2.64 -4.28 1.64 7.64 0.10 -4.85 113.62 107.63 2p2k n SER 168 Ca 0.07 -0.87 -0.28 0.00 1.01 0.00 0.00 58.87 58.80 2p2k n SER 168 Cb 0.60 -3.60 -0.15 0.00 -1.01 0.00 0.00 64.21 60.05 2p2k n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2p2k s SER 169 N -3.82 2.78 -0.05 6.43 0.15 -1.11 -4.95 113.70 113.12 2p2k s SER 169 Ca 0.35 -0.50 -0.03 0.00 0.70 0.00 0.00 55.95 56.47 2p2k s SER 169 Cb -0.18 -0.27 0.02 0.00 -1.71 0.00 0.00 66.02 63.88 2p2k s SER 169 CO 0.85 0.24 0.12 0.54 1.20 0.00 0.00 173.24 176.20 2p2k s VAL 170 N -0.70 -0.02 -0.01 4.45 0.11 -1.26 -0.00 120.40 122.96 2p2k s VAL 170 Ca 0.09 0.09 -0.23 0.00 -2.93 0.00 0.00 61.98 59.01 2p2k s VAL 170 Cb -0.09 -0.20 0.05 0.00 -1.53 0.00 0.00 36.38 34.61 2p2k s VAL 170 CO 0.01 0.04 0.50 -0.83 -3.33 0.00 0.00 175.10 171.48 2p2k s GLY 171 N 0.60 -0.37 0.08 6.54 0.00 -0.58 -0.24 107.32 113.35 2p2k s GLY 171 Ca -0.04 0.75 -0.05 0.00 0.00 0.00 0.00 44.72 45.38 2p2k s GLY 171 CO -0.03 0.46 0.10 0.50 0.00 0.00 0.00 173.10 174.13 2p2k s ARG 172 N -1.58 0.78 -0.04 2.90 0.52 -0.56 -1.34 118.95 119.62 2p2k s ARG 172 Ca -0.10 -1.12 -0.01 0.00 -0.52 0.00 0.00 55.73 53.98 2p2k s ARG 172 Cb -0.02 0.28 0.03 0.00 0.52 0.00 0.00 34.95 35.76 2p2k s ARG 172 CO 0.05 -0.21 0.03 0.00 0.02 0.00 0.00 175.30 175.19 2p2k s ALA 173 N -3.91 0.31 0.03 2.13 0.00 0.13 -0.28 121.76 120.18 2p2k s ALA 173 Ca 0.08 0.14 0.07 0.00 0.00 0.00 0.00 51.96 52.26 2p2k s ALA 173 Cb 0.06 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 2p2k s ALA 173 CO -0.09 -0.34 -0.21 -0.51 0.00 0.00 0.00 175.76 174.61 2p2k s LEU 174 N 1.74 2.45 0.39 0.00 2.01 0.17 0.16 118.68 125.60 2p2k s LEU 174 Ca -0.00 -0.45 -0.27 0.00 0.01 0.00 0.00 54.13 53.42 2p2k s LEU 174 Cb -0.12 -1.44 -0.09 0.00 0.01 0.00 0.00 46.19 44.54 2p2k s LEU 174 CO -0.03 0.27 1.37 0.12 1.01 0.00 0.00 176.35 179.09 2p2k s PHE 175 N -0.84 2.73 0.15 0.29 5.36 -0.34 -0.07 117.98 125.27 2p2k s PHE 175 Ca 0.13 1.32 -0.15 0.00 -0.96 0.00 0.00 56.93 57.28 2p2k s PHE 175 Cb -0.10 -3.81 0.03 0.00 -0.34 0.00 0.00 43.02 38.80 2p2k s PHE 175 CO 0.03 -2.43 1.75 -0.92 -1.46 0.00 0.00 175.22 172.19 2p2k h TYR 176 N 2.81 0.65 -3.82 10.12 5.03 -1.33 -3.43 116.97 127.00 2p2k h TYR 176 Ca -0.50 -0.02 -0.50 0.00 2.58 0.00 0.00 58.73 60.29 2p2k h TYR 176 Cb 1.24 -0.21 0.01 0.00 1.55 0.00 0.00 36.73 39.33 2p2k h TYR 176 CO 0.53 0.50 0.43 0.00 -1.32 0.00 0.00 178.16 178.30 2p2k s ALA 177 N -5.79 3.33 0.66 1.82 0.00 -1.26 -4.99 121.76 115.51 2p2k s ALA 177 Ca -0.13 0.78 -0.17 0.00 0.00 0.00 0.00 51.96 52.44 2p2k s ALA 177 Cb 0.11 -3.28 -0.00 0.00 0.00 0.00 0.00 23.12 19.95 2p2k s ALA 177 CO 0.75 -0.06 1.22 -2.14 0.00 0.00 0.00 175.76 175.53 2p2k s PRO 178 N -1.60 2.59 -0.10 0.00 0.02 -1.26 -4.77 135.00 129.88 2p2k s PRO 178 Ca 0.46 1.83 0.04 0.00 0.02 0.00 0.00 61.00 63.34 2p2k s PRO 178 Cb -0.28 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.36 2p2k s PRO 178 CO 0.36 -1.51 -0.22 0.08 -0.33 0.00 0.00 177.00 175.38 2p2k s VAL 179 N -1.73 1.89 -0.82 3.83 1.01 0.71 -4.95 120.40 120.34 2p2k s VAL 179 Ca 0.77 -0.92 -0.22 0.00 0.00 0.00 0.00 61.98 61.61 2p2k s VAL 179 Cb -0.31 -1.65 0.08 0.00 0.00 0.00 0.00 36.38 34.51 2p2k s VAL 179 CO 0.39 0.52 1.13 -2.28 0.00 0.00 0.00 175.10 174.87 2p2k s HIS 180 N 0.43 2.75 0.03 5.22 2.46 -1.26 -1.28 115.29 123.63 2p2k s HIS 180 Ca -0.18 -0.82 0.09 0.00 0.47 0.00 0.00 55.06 54.62 2p2k s HIS 180 Cb -0.17 -4.40 -0.23 0.00 -0.13 0.00 0.00 32.58 27.65 2p2k s HIS 180 CO 0.07 -1.69 0.95 0.97 -2.47 0.00 0.00 174.74 172.57 2p2k h ILE 181 N 6.07 1.25 -4.02 0.89 6.09 -0.83 -3.45 117.51 123.52 2p2k h ILE 181 Ca -0.06 -3.03 -0.12 0.00 -1.37 0.00 0.00 64.86 60.28 2p2k h ILE 181 Cb 1.04 2.63 -0.13 0.00 0.47 0.00 0.00 36.82 40.83 2p2k h ILE 181 CO 1.21 0.73 -0.42 -1.66 -3.07 0.00 0.00 178.15 174.94 2p2k s TRP 182 N -2.65 0.49 -0.14 2.19 1.48 -1.17 -4.71 118.94 114.43 2p2k s TRP 182 Ca -0.03 -0.87 -0.13 0.00 -1.06 0.00 0.00 56.10 54.02 2p2k s TRP 182 Cb 0.09 -0.17 0.04 0.00 -1.16 0.00 0.00 33.47 32.27 2p2k s TRP 182 CO 0.82 -0.64 0.38 -2.00 -4.06 0.00 0.00 176.95 171.45 2p2k s GLU 183 N -3.98 0.43 0.46 3.25 -6.30 -1.26 -4.63 118.70 106.68 2p2k s GLU 183 Ca 0.17 0.56 0.18 0.00 -2.50 0.00 0.00 54.97 53.38 2p2k s GLU 183 Cb 0.05 0.18 1.16 0.00 0.00 0.00 0.00 34.13 35.52 2p2k s GLU 183 CO -0.01 -0.07 1.96 0.66 0.02 0.00 0.00 175.26 177.83 2p2k h SER 184 N 5.76 0.25 -0.40 -1.70 4.64 -2.01 -0.41 113.55 119.68 2p2k h SER 184 Ca -0.28 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2p2k h SER 184 Cb 1.18 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2p2k h SER 184 CO 0.27 0.14 0.00 -1.54 -0.87 0.00 0.00 176.83 174.83 2p2k n SER 185 N -4.44 2.98 -4.67 4.97 3.41 -1.26 -4.91 113.62 109.70 2p2k n SER 185 Ca 0.11 -1.93 -0.43 0.00 -0.26 0.00 0.00 58.87 56.36 2p2k n SER 185 Cb 0.51 -0.26 -0.02 0.00 -0.26 0.00 0.00 64.21 64.17 2p2k n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2p2k s ALA 186 N -1.48 3.59 0.12 7.33 0.00 -0.17 -4.14 121.76 127.01 2p2k s ALA 186 Ca 0.38 0.23 -0.10 0.00 0.00 0.00 0.00 51.96 52.46 2p2k s ALA 186 Cb 0.21 -3.49 -0.11 0.00 0.00 0.00 0.00 23.12 19.72 2p2k s ALA 186 CO 0.29 -0.89 1.32 0.28 0.00 0.00 0.00 175.76 176.76 2p2k h VAL 187 N 5.33 1.31 -3.42 0.00 2.07 0.28 -3.43 116.25 118.39 2p2k h VAL 187 Ca -0.23 -2.08 -0.50 0.00 0.82 0.00 0.00 66.70 64.70 2p2k h VAL 187 Cb 1.09 2.10 -0.33 0.00 -1.52 0.00 0.00 31.29 32.62 2p2k h VAL 187 CO 0.93 0.65 -0.81 -0.69 0.02 0.00 0.00 177.57 177.67 2p2k s VAL 188 N -3.63 1.08 -0.50 2.57 1.01 0.12 -4.78 120.40 116.27 2p2k s VAL 188 Ca -0.09 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 61.52 2p2k s VAL 188 Cb 0.09 -1.00 0.34 0.00 0.00 0.00 0.00 36.38 35.81 2p2k s VAL 188 CO 0.89 0.34 0.85 0.00 0.00 0.00 0.00 175.10 177.19 2p2k n ALA 189 N 3.83 3.64 -2.68 5.51 0.00 -1.26 -0.95 120.51 128.61 2p2k n ALA 189 Ca -0.23 -4.21 -0.24 0.00 0.00 0.00 0.00 53.44 48.76 2p2k n ALA 189 Cb 0.52 -0.81 -0.01 0.00 0.00 0.00 0.00 19.45 19.14 2p2k n ALA 189 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2p2k s SER 190 N -3.02 6.30 0.10 0.00 1.04 -0.85 -4.50 113.70 112.78 2p2k s SER 190 Ca 0.45 0.43 -0.16 0.00 0.48 0.00 0.00 55.95 57.15 2p2k s SER 190 Cb 0.30 -2.02 0.03 0.00 0.10 0.00 0.00 66.02 64.43 2p2k s SER 190 CO -0.11 -0.27 0.39 0.72 0.98 0.00 0.00 173.24 174.94 2p2k s PHE 191 N -2.28 -0.19 0.05 5.02 -0.12 -0.75 -1.23 117.98 118.48 2p2k s PHE 191 Ca 0.40 -0.05 0.01 0.00 -0.05 0.00 0.00 56.93 57.23 2p2k s PHE 191 Cb -0.10 0.22 -0.03 0.00 -0.63 0.00 0.00 43.02 42.49 2p2k s PHE 191 CO 0.35 -0.65 -0.05 0.16 -0.05 0.00 0.00 175.22 174.98 2p2k s ASP 192 N -2.58 0.65 0.02 1.98 -4.77 -0.03 0.01 116.67 111.94 2p2k s ASP 192 Ca 0.01 -0.78 0.01 0.00 -3.30 0.00 0.00 52.55 48.49 2p2k s ASP 192 Cb 0.01 0.12 -0.01 0.00 -1.09 0.00 0.00 42.92 41.95 2p2k s ASP 192 CO -0.09 -0.41 -0.05 0.00 0.70 0.00 0.00 175.17 175.32 2p2k s ALA 193 N -2.69 0.32 0.03 2.11 0.00 0.33 -0.85 121.76 121.01 2p2k s ALA 193 Ca -0.01 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.49 2p2k s ALA 193 Cb -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 2p2k s ALA 193 CO -0.04 -0.03 -0.06 -0.08 0.00 0.00 0.00 175.76 175.55 2p2k s THR 194 N -0.90 0.37 0.02 0.00 -1.32 -0.45 0.32 115.64 113.69 2p2k s THR 194 Ca -0.07 -0.90 -0.10 0.00 -1.21 0.00 0.00 61.69 59.41 2p2k s THR 194 Cb -0.07 -0.45 0.01 0.00 -1.51 0.00 0.00 72.50 70.48 2p2k s THR 194 CO -0.00 -0.35 0.20 0.72 -2.21 0.00 0.00 174.62 172.98 2p2k s PHE 195 N -1.22 0.01 0.13 9.09 -0.71 -0.31 -0.33 117.98 124.64 2p2k s PHE 195 Ca -0.10 -0.16 0.09 0.00 -1.04 0.00 0.00 56.93 55.72 2p2k s PHE 195 Cb -0.09 -0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.67 2p2k s PHE 195 CO -0.00 -0.40 -0.18 0.95 -1.34 0.00 0.00 175.22 174.26 2p2k s THR 196 N -2.14 2.85 0.04 -4.49 -4.23 -0.38 -0.50 115.64 106.78 2p2k s THR 196 Ca -0.08 -1.56 -0.15 0.00 -1.18 0.00 0.00 61.69 58.71 2p2k s THR 196 Cb -0.03 -2.32 0.03 0.00 1.34 0.00 0.00 72.50 71.51 2p2k s THR 196 CO -0.02 0.06 0.34 0.72 -0.54 0.00 0.00 174.62 175.19 2p2k s PHE 197 N -1.24 -0.17 -0.25 3.99 -0.12 0.03 -0.99 117.98 119.23 2p2k s PHE 197 Ca 0.19 0.09 -0.01 0.00 -0.05 0.00 0.00 56.93 57.15 2p2k s PHE 197 Cb -0.10 0.14 0.08 0.00 -0.63 0.00 0.00 43.02 42.50 2p2k s PHE 197 CO 0.11 -0.52 0.04 -1.17 -0.05 0.00 0.00 175.22 173.63 2p2k s LEU 198 N -1.98 1.95 -0.30 -1.99 0.20 -0.01 -0.27 118.68 116.30 2p2k s LEU 198 Ca -0.06 -1.23 -0.10 0.00 0.69 0.00 0.00 54.13 53.43 2p2k s LEU 198 Cb -0.01 -0.84 -0.02 0.00 -0.43 0.00 0.00 46.19 44.88 2p2k s LEU 198 CO -0.02 -0.33 0.16 -0.63 -0.29 0.00 0.00 176.35 175.24 2p2k s ILE 199 N 1.65 4.86 -0.04 6.68 1.01 -1.26 -2.68 121.20 131.42 2p2k s ILE 199 Ca 0.02 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.52 2p2k s ILE 199 Cb -0.18 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 38.90 2p2k s ILE 199 CO -0.14 0.15 -0.12 -0.75 0.00 0.00 0.00 174.94 174.08 2p2k s LYS 200 N 1.67 1.33 -0.03 2.79 2.20 -1.24 -1.09 119.74 125.36 2p2k s LYS 200 Ca 0.06 -0.43 0.01 0.00 -0.36 0.00 0.00 55.97 55.25 2p2k s LYS 200 Cb -0.16 -1.19 0.02 0.00 -1.51 0.00 0.00 37.83 34.99 2p2k s LYS 200 CO 0.08 0.16 -0.02 0.45 -0.36 0.00 0.00 175.35 175.65 2p2k s SER 201 N 0.17 0.65 0.12 1.43 0.15 -1.26 -0.30 113.70 114.65 2p2k s SER 201 Ca -0.04 -0.08 -0.03 0.00 0.70 0.00 0.00 55.95 56.51 2p2k s SER 201 Cb -0.10 -0.32 -0.13 0.00 -1.71 0.00 0.00 66.02 63.75 2p2k s SER 201 CO 0.01 -0.07 1.27 1.55 1.20 0.00 0.00 173.24 177.20 2p2k h PRO 202 N 7.15 0.31 -1.05 5.44 0.13 -1.95 -3.47 132.00 138.55 2p2k h PRO 202 Ca -0.40 -0.39 -0.10 0.00 -0.87 0.00 0.00 66.00 64.24 2p2k h PRO 202 Cb 1.14 0.12 0.04 0.00 0.13 0.00 0.00 31.00 32.44 2p2k h PRO 202 CO 0.48 1.10 -0.30 -0.25 -0.23 0.00 0.00 178.00 178.81 2p2k n ASP 203 N -3.65 -0.95 0.29 1.44 9.92 -1.26 -4.88 116.55 117.45 2p2k n ASP 203 Ca -0.06 0.05 0.15 0.00 -0.53 0.00 0.00 54.79 54.40 2p2k n ASP 203 Cb 0.89 -0.14 0.88 0.00 -0.64 0.00 0.00 41.12 42.11 2p2k n ASP 203 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2p2k h SER 204 N -0.13 0.00 -3.95 -2.24 0.02 -1.95 -3.42 113.55 101.89 2p2k h SER 204 Ca -0.08 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 2p2k h SER 204 Cb 0.23 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 62.56 2p2k h SER 204 CO 0.05 0.00 0.14 -2.28 -1.14 0.00 0.00 176.83 173.60 2p2k s HIS 205 N -4.68 -0.79 0.52 3.45 5.65 -1.26 -5.15 115.29 113.03 2p2k s HIS 205 Ca -0.05 1.91 -0.22 0.00 0.25 0.00 0.00 55.06 56.95 2p2k s HIS 205 Cb 0.15 0.28 -0.06 0.00 -1.18 0.00 0.00 32.58 31.78 2p2k s HIS 205 CO 0.56 -0.38 1.28 -1.25 -0.65 0.00 0.00 174.74 174.30 2p2k s PRO 206 N 0.41 3.34 0.07 2.88 0.04 -1.26 -3.89 135.00 136.60 2p2k s PRO 206 Ca -0.00 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 62.82 2p2k s PRO 206 Cb -0.05 -2.28 0.07 0.00 0.04 0.00 0.00 34.50 32.27 2p2k s PRO 206 CO 0.00 -0.97 0.63 0.00 0.04 0.00 0.00 177.00 176.70 2p2k s ALA 207 N -1.41 -1.66 -0.01 8.56 0.00 -1.22 -4.27 121.76 121.76 2p2k s ALA 207 Ca 0.69 0.82 0.04 0.00 0.00 0.00 0.00 51.96 53.51 2p2k s ALA 207 Cb -0.35 0.52 -0.07 0.00 0.00 0.00 0.00 23.12 23.22 2p2k s ALA 207 CO 0.42 -0.60 0.10 -0.25 0.00 0.00 0.00 175.76 175.42 2p2k n ASP 208 N 0.15 3.89 0.00 0.00 8.00 0.74 -2.31 116.55 127.02 2p2k n ASP 208 Ca -0.18 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.30 2p2k n ASP 208 Cb 0.62 1.19 0.00 0.00 -0.02 0.00 0.00 41.12 42.90 2p2k n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2p2k n GLY 209 N 2.22 0.52 3.09 0.44 0.00 -1.19 -2.17 105.19 108.10 2p2k n GLY 209 Ca -0.01 -1.86 -0.21 0.00 0.00 0.00 0.00 46.02 43.94 2p2k n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2p2k s ILE 210 N -1.23 1.00 0.01 -0.61 1.01 -0.49 -2.42 121.20 118.47 2p2k s ILE 210 Ca 0.00 -0.60 0.05 0.00 0.00 0.00 0.00 60.65 60.10 2p2k s ILE 210 Cb 0.00 -0.85 -0.02 0.00 0.01 0.00 0.00 42.46 41.61 2p2k s ILE 210 CO 0.00 0.24 -0.16 0.00 0.00 0.00 0.00 174.94 175.02 2p2k s ALA 211 N -0.37 1.34 0.03 9.38 0.00 0.30 0.78 121.76 133.21 2p2k s ALA 211 Ca 0.04 -0.79 -0.22 0.00 0.00 0.00 0.00 51.96 50.99 2p2k s ALA 211 Cb -0.05 -0.29 -0.06 0.00 0.00 0.00 0.00 23.12 22.73 2p2k s ALA 211 CO -0.00 0.30 0.67 0.12 0.00 0.00 0.00 175.76 176.85 2p2k s PHE 212 N -0.59 3.72 0.07 0.00 5.36 -0.35 0.23 117.98 126.42 2p2k s PHE 212 Ca 0.05 1.33 -0.01 0.00 -0.96 0.00 0.00 56.93 57.33 2p2k s PHE 212 Cb -0.07 -2.69 -0.04 0.00 -0.34 0.00 0.00 43.02 39.88 2p2k s PHE 212 CO 0.00 0.34 0.00 -0.59 -1.46 0.00 0.00 175.22 173.51 2p2k s PHE 213 N -0.22 0.60 -0.07 10.12 -0.71 0.77 -0.81 117.98 127.66 2p2k s PHE 213 Ca 0.34 -1.10 0.01 0.00 -1.04 0.00 0.00 56.93 55.15 2p2k s PHE 213 Cb -0.19 -0.40 0.02 0.00 -1.21 0.00 0.00 43.02 41.23 2p2k s PHE 213 CO 0.20 -0.42 -0.09 0.42 -1.34 0.00 0.00 175.22 173.98 2p2k s ILE 214 N -3.95 0.97 0.15 -4.49 1.01 0.25 -0.68 121.20 114.45 2p2k s ILE 214 Ca 0.11 -0.35 -0.00 0.00 0.00 0.00 0.00 60.65 60.41 2p2k s ILE 214 Cb 0.08 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 2p2k s ILE 214 CO -0.07 0.33 0.05 -0.94 0.00 0.00 0.00 174.94 174.31 2p2k s SER 215 N 0.97 0.51 0.78 3.58 1.04 0.54 -1.44 113.70 119.68 2p2k s SER 215 Ca -0.09 -1.21 -0.15 0.00 0.48 0.00 0.00 55.95 54.97 2p2k s SER 215 Cb -0.15 0.26 -0.00 0.00 0.10 0.00 0.00 66.02 66.23 2p2k s SER 215 CO 0.00 -0.70 0.65 -0.46 0.98 0.00 0.00 173.24 173.71 2p2k n ASN 216 N -0.14 -0.85 -0.07 7.02 6.94 -1.19 0.24 115.26 127.20 2p2k n ASN 216 Ca -0.05 0.55 0.05 0.00 -0.02 0.00 0.00 54.58 55.10 2p2k n ASN 216 Cb 0.64 -1.28 0.40 0.00 -2.36 0.00 0.00 39.78 37.18 2p2k n ASN 216 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2p2k h ILE 217 N -0.68 1.08 -0.45 1.53 2.04 -1.83 -2.01 117.51 117.19 2p2k h ILE 217 Ca -0.45 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.19 2p2k h ILE 217 Cb 1.33 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 2p2k h ILE 217 CO 0.42 0.12 0.00 -0.90 0.00 0.00 0.00 178.15 177.78 2p2k n ASP 218 N -4.47 3.13 -4.66 1.72 5.75 -1.26 -4.66 116.55 112.10 2p2k n ASP 218 Ca 0.06 -2.21 -0.47 0.00 -0.01 0.00 0.00 54.79 52.16 2p2k n ASP 218 Cb 0.12 -0.43 -0.04 0.00 -1.03 0.00 0.00 41.12 39.74 2p2k n ASP 218 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2p2k n SER 219 N 0.75 2.86 -4.42 -1.12 2.88 -0.76 -5.01 113.62 108.80 2p2k n SER 219 Ca 0.17 1.09 -0.21 0.00 -1.33 0.00 0.00 58.87 58.59 2p2k n SER 219 Cb 0.57 -1.39 -0.10 0.00 -0.75 0.00 0.00 64.21 62.53 2p2k n SER 219 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2p2k s SER 220 N 0.80 2.72 0.03 -3.46 1.04 -1.26 -5.06 113.70 108.51 2p2k s SER 220 Ca 0.79 -1.18 -0.30 0.00 0.48 0.00 0.00 55.95 55.74 2p2k s SER 220 Cb -0.72 -0.16 -0.08 0.00 0.10 0.00 0.00 66.02 65.16 2p2k s SER 220 CO 0.40 -0.34 1.89 -0.63 0.98 0.00 0.00 173.24 175.54 2p2k s ILE 221 N -3.03 3.08 0.41 -1.02 1.01 -1.26 -4.91 121.20 115.48 2p2k s ILE 221 Ca 0.29 0.16 -0.26 0.00 0.00 0.00 0.00 60.65 60.84 2p2k s ILE 221 Cb 0.04 -3.11 -0.09 0.00 0.01 0.00 0.00 42.46 39.31 2p2k s ILE 221 CO 0.12 -0.01 1.40 -2.84 0.00 0.00 0.00 174.94 173.60 2p2k s PRO 222 N 4.16 3.91 0.25 2.79 0.02 -1.26 -4.91 135.00 139.96 2p2k s PRO 222 Ca 0.85 2.37 -0.31 0.00 0.02 0.00 0.00 61.00 63.92 2p2k s PRO 222 Cb -0.41 -2.79 -0.13 0.00 0.02 0.00 0.00 34.50 31.19 2p2k s PRO 222 CO 0.39 -0.62 1.51 0.45 -0.33 0.00 0.00 177.00 178.40 2p2k n SER 223 N 0.12 3.26 -0.42 2.53 2.88 -1.26 -3.10 113.62 117.63 2p2k n SER 223 Ca 0.03 1.14 -0.01 0.00 -1.33 0.00 0.00 58.87 58.69 2p2k n SER 223 Cb 0.42 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 2p2k n SER 223 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2p2k n GLY 224 N 2.33 0.58 0.11 0.46 0.00 -1.26 -4.73 105.19 102.68 2p2k n GLY 224 Ca 0.11 -0.73 0.07 0.00 0.00 0.00 0.00 46.02 45.47 2p2k n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2p2k n SER 225 N 1.48 1.95 -4.10 1.61 3.41 -1.18 -4.79 113.62 112.01 2p2k n SER 225 Ca -0.01 -2.71 -0.29 0.00 -0.26 0.00 0.00 58.87 55.60 2p2k n SER 225 Cb 0.51 -0.32 0.23 0.00 -0.26 0.00 0.00 64.21 64.37 2p2k n SER 225 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2p2k s THR 226 N -2.13 1.71 0.00 6.66 -4.23 -1.26 0.56 115.64 116.95 2p2k s THR 226 Ca 0.22 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 2p2k s THR 226 Cb 0.19 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.64 2p2k s THR 226 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 2p2k n GLY 227 N -0.50 2.34 0.00 3.99 0.00 -0.32 -3.52 105.19 107.18 2p2k n GLY 227 Ca 0.09 -0.41 0.07 0.00 0.00 0.00 0.00 46.02 45.77 2p2k n GLY 227 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2p2k n ARG 228 N 13.33 0.16 0.00 1.61 1.85 -1.26 -4.15 116.66 128.20 2p2k n ARG 228 Ca 0.00 0.18 0.11 0.00 -1.00 0.00 0.00 57.85 57.13 2p2k n ARG 228 Cb 0.00 -1.50 0.05 0.00 -1.05 0.00 0.00 32.46 29.96 2p2k n ARG 228 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2p2k n LEU 229 N -1.33 0.75 -2.79 2.89 4.77 -1.23 -4.95 117.00 115.12 2p2k n LEU 229 Ca 0.06 -0.25 -0.10 0.00 -0.03 0.00 0.00 56.01 55.69 2p2k n LEU 229 Cb 0.12 -0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.17 2p2k n LEU 229 CO 0.11 0.18 0.27 0.18 -1.33 0.00 0.00 177.39 176.80 2p2k n LEU 230 N -1.52 -1.86 0.00 2.23 4.77 -1.24 -0.17 117.00 119.21 2p2k n LEU 230 Ca 0.05 -3.87 0.00 0.00 -0.03 0.00 0.00 56.01 52.15 2p2k n LEU 230 Cb 0.34 0.86 0.00 0.00 -2.33 0.00 0.00 43.42 42.28 2p2k n LEU 230 CO 0.39 2.09 0.00 0.61 -1.33 0.00 0.00 177.39 179.16 2p2k n GLY 231 N 0.29 0.50 0.13 -0.72 0.00 0.19 -4.00 105.19 101.58 2p2k n GLY 231 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 2p2k n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2p2k n LEU 232 N 0.00 2.97 -4.24 0.99 4.32 -0.56 -4.27 117.00 116.21 2p2k n LEU 232 Ca 0.00 -0.13 -0.24 0.00 -0.02 0.00 0.00 56.01 55.62 2p2k n LEU 232 Cb 0.07 -0.89 -0.13 0.00 -1.62 0.00 0.00 43.42 40.85 2p2k n LEU 232 CO 0.00 0.93 -0.51 -0.36 -1.22 0.00 0.00 177.39 176.23 2p2k s PHE 233 N -2.51 1.67 -0.42 -1.77 0.08 0.76 -4.73 117.98 111.06 2p2k s PHE 233 Ca -0.34 -0.39 0.25 0.00 0.12 0.00 0.00 56.93 56.56 2p2k s PHE 233 Cb 0.09 -0.96 0.55 0.00 -0.57 0.00 0.00 43.02 42.13 2p2k s PHE 233 CO 0.59 0.12 1.68 -1.00 -0.10 0.00 0.00 175.22 176.51 2p2k h PRO 234 N 4.55 0.00 -3.30 0.24 0.13 -1.87 -3.40 132.00 128.35 2p2k h PRO 234 Ca -0.43 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.62 2p2k h PRO 234 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2p2k h PRO 234 CO 0.42 0.00 0.15 0.16 -0.23 0.00 0.00 178.00 178.50 2p2k s ASP 235 N -5.84 0.22 -0.20 1.44 1.47 -1.26 -4.81 116.67 107.69 2p2k s ASP 235 Ca 0.07 -1.20 0.15 0.00 1.18 0.00 0.00 52.55 52.76 2p2k s ASP 235 Cb 0.07 0.79 0.78 0.00 -0.34 0.00 0.00 42.92 44.22 2p2k s ASP 235 CO 0.64 -1.56 1.70 0.00 0.68 0.00 0.00 175.17 176.63 2p2k n ALA 236 N -0.53 3.61 1.29 2.11 0.00 -1.26 -4.68 120.51 121.05 2p2k n ALA 236 Ca -0.06 -1.86 0.10 0.00 0.00 0.00 0.00 53.44 51.63 2p2k n ALA 236 Cb 0.60 -1.07 0.61 0.00 0.00 0.00 0.00 19.45 19.60 2p2k n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59