#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 3.66 -0.20 0.00 1.01 -1.26 -5.02 116.67 114.87 2p2k s ASP 2 Ca 0.00 2.32 -0.10 0.00 0.71 0.00 0.00 52.55 55.48 2p2k s ASP 2 Cb 0.00 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 2p2k s ASP 2 CO 0.00 -2.62 0.14 -0.89 0.21 0.00 0.00 175.17 172.01 2p2k s THR 3 N -2.21 5.40 -0.11 -1.27 2.01 -1.26 -5.00 115.64 113.20 2p2k s THR 3 Ca 0.72 0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.95 2p2k s THR 3 Cb -0.28 -3.48 0.02 0.00 0.01 0.00 0.00 72.50 68.77 2p2k s THR 3 CO 0.51 0.44 -0.14 -0.63 -0.69 0.00 0.00 174.62 174.10 2p2k s ILE 4 N 0.35 1.42 -0.16 1.82 -1.09 -1.26 -3.40 121.20 118.88 2p2k s ILE 4 Ca 0.09 -0.59 -0.02 0.00 -2.23 0.00 0.00 60.65 57.90 2p2k s ILE 4 Cb -0.11 -1.31 -0.01 0.00 -1.58 0.00 0.00 42.46 39.44 2p2k s ILE 4 CO -0.01 0.43 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.34 2p2k s VAL 5 N 1.03 3.24 0.03 2.92 1.01 -0.64 -0.24 120.40 127.76 2p2k s VAL 5 Ca -0.06 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 2p2k s VAL 5 Cb -0.15 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 2p2k s VAL 5 CO -0.02 0.50 0.07 0.00 0.00 0.00 0.00 175.10 175.65 2p2k s ALA 6 N 0.64 -0.04 -0.24 5.51 0.00 0.93 -0.24 121.76 128.33 2p2k s ALA 6 Ca -0.05 -0.53 -0.05 0.00 0.00 0.00 0.00 51.96 51.32 2p2k s ALA 6 Cb -0.15 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 2p2k s ALA 6 CO 0.03 -0.28 0.00 0.08 0.00 0.00 0.00 175.76 175.59 2p2k s VAL 7 N -2.30 3.69 -0.10 0.00 1.01 0.77 0.21 120.40 123.69 2p2k s VAL 7 Ca -0.08 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 2p2k s VAL 7 Cb -0.03 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 2p2k s VAL 7 CO -0.03 0.35 0.04 -1.83 0.00 0.00 0.00 175.10 173.62 2p2k s GLU 8 N 1.51 3.14 -0.59 2.72 -1.05 0.51 -1.19 118.70 123.77 2p2k s GLU 8 Ca 0.05 -0.34 -0.06 0.00 -0.15 0.00 0.00 54.97 54.48 2p2k s GLU 8 Cb -0.15 -2.90 0.15 0.00 -0.44 0.00 0.00 34.13 30.79 2p2k s GLU 8 CO -0.01 0.69 0.43 -0.51 0.95 0.00 0.00 175.26 176.81 2p2k s LEU 9 N -0.84 5.54 -0.42 1.83 1.02 0.11 -0.55 118.68 125.37 2p2k s LEU 9 Ca 0.13 -2.51 -0.16 0.00 0.02 0.00 0.00 54.13 51.61 2p2k s LEU 9 Cb -0.12 -1.93 0.02 0.00 0.02 0.00 0.00 46.19 44.19 2p2k s LEU 9 CO 0.03 -0.49 0.37 -0.62 0.02 0.00 0.00 176.35 175.65 2p2k s ASP 10 N 1.48 6.15 0.34 2.29 -1.08 0.13 -1.68 116.67 124.30 2p2k s ASP 10 Ca 0.13 -0.83 0.21 0.00 -0.52 0.00 0.00 52.55 51.55 2p2k s ASP 10 Cb -0.21 -2.19 0.20 0.00 -1.46 0.00 0.00 42.92 39.26 2p2k s ASP 10 CO -0.04 -0.52 1.43 0.71 0.52 0.00 0.00 175.17 177.27 2p2k h THR 11 N 5.68 0.19 -3.15 1.71 1.35 -1.61 -0.65 112.91 116.43 2p2k h THR 11 Ca -0.27 -1.29 -0.62 0.00 -0.55 0.00 0.00 66.41 63.68 2p2k h THR 11 Cb 1.12 1.99 -0.36 0.00 -1.73 0.00 0.00 68.15 69.17 2p2k h THR 11 CO 0.77 0.11 -0.84 -0.47 -0.25 0.00 0.00 175.52 174.84 2p2k s TYR 12 N -3.18 2.35 -0.37 4.73 5.04 -1.22 -4.43 117.35 120.28 2p2k s TYR 12 Ca 0.04 -1.38 -0.29 0.00 -2.44 0.00 0.00 57.07 53.01 2p2k s TYR 12 Cb 0.07 -1.68 0.01 0.00 0.35 0.00 0.00 41.96 40.70 2p2k s TYR 12 CO 0.71 -0.71 1.32 -2.14 -1.34 0.00 0.00 175.55 173.39 2p2k s PRO 13 N 1.43 3.75 -1.07 4.97 0.02 -1.26 -4.91 135.00 137.93 2p2k s PRO 13 Ca 0.04 1.02 -0.06 0.00 0.02 0.00 0.00 61.00 62.02 2p2k s PRO 13 Cb -0.13 -3.94 0.28 0.00 0.02 0.00 0.00 34.50 30.72 2p2k s PRO 13 CO -0.11 -1.34 1.15 0.09 -0.33 0.00 0.00 177.00 176.46 2p2k n ASN 14 N 8.15 5.52 0.30 2.53 4.13 -1.26 -4.88 115.26 129.75 2p2k n ASN 14 Ca 0.15 -3.16 0.16 0.00 1.68 0.00 0.00 54.58 53.42 2p2k n ASN 14 Cb 0.47 -1.29 0.91 0.00 -1.54 0.00 0.00 39.78 38.34 2p2k n ASN 14 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 2p2k h THR 15 N 3.63 0.36 0.00 3.41 1.35 -1.85 -1.06 112.91 118.75 2p2k h THR 15 Ca 0.18 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 2p2k h THR 15 Cb 0.79 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 2p2k h THR 15 CO 1.07 0.04 0.00 0.47 -0.25 0.00 0.00 175.52 176.85 2p2k n ASP 16 N -3.52 0.21 -1.76 5.36 10.43 -1.26 -1.98 116.55 124.04 2p2k n ASP 16 Ca -0.02 0.56 -0.05 0.00 2.57 0.00 0.00 54.79 57.85 2p2k n ASP 16 Cb 0.15 -0.60 0.07 0.00 1.84 0.00 0.00 41.12 42.58 2p2k n ASP 16 CO 0.00 0.00 0.00 2.30 -1.07 0.00 0.00 177.20 178.43 2p2k n ILE 17 N -1.74 1.61 -0.93 0.53 -5.35 -0.45 -4.99 119.36 108.04 2p2k n ILE 17 Ca 0.03 -2.98 0.00 0.00 -0.27 0.00 0.00 62.75 59.52 2p2k n ILE 17 Cb 0.17 0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.20 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 -0.53 0.64 3.76 3.28 0.00 -0.84 -4.70 105.19 106.81 2p2k n GLY 18 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 2p2k n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2p2k n ASP 19 N 0.00 3.21 -4.74 1.61 8.00 -0.89 -4.85 116.55 118.88 2p2k n ASP 19 Ca 0.00 1.09 -0.31 0.00 0.71 0.00 0.00 54.79 56.28 2p2k n ASP 19 Cb 0.00 -1.60 0.12 0.00 -0.02 0.00 0.00 41.12 39.61 2p2k n ASP 19 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2p2k s PRO 20 N -2.57 1.78 -0.10 -0.24 0.04 -1.26 -4.04 135.00 128.62 2p2k s PRO 20 Ca 0.64 1.08 -0.05 0.00 0.04 0.00 0.00 61.00 62.71 2p2k s PRO 20 Cb -0.44 -1.85 -0.17 0.00 0.04 0.00 0.00 34.50 32.08 2p2k s PRO 20 CO 0.55 -1.95 3.31 -1.71 0.04 0.00 0.00 177.00 177.24 2p2k n ASN 21 N -3.72 5.52 -3.46 6.66 4.05 -1.26 -4.64 115.26 118.40 2p2k n ASN 21 Ca 0.08 -2.63 -0.12 0.00 0.45 0.00 0.00 54.58 52.36 2p2k n ASN 21 Cb 0.54 -1.35 -0.02 0.00 1.23 0.00 0.00 39.78 40.17 2p2k n ASN 21 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 2p2k s TYR 22 N 0.33 -0.48 0.42 1.20 -0.85 -1.26 -5.01 117.35 111.70 2p2k s TYR 22 Ca 0.60 0.25 -0.25 0.00 -0.52 0.00 0.00 57.07 57.15 2p2k s TYR 22 Cb 0.31 0.51 -0.10 0.00 0.38 0.00 0.00 41.96 43.06 2p2k s TYR 22 CO -0.04 -0.83 1.18 -2.30 -1.52 0.00 0.00 175.55 172.04 2p2k n PRO 23 N -0.35 1.71 -3.59 -3.49 -0.02 -1.26 -4.55 135.00 123.45 2p2k n PRO 23 Ca -0.17 0.61 -0.15 0.00 -2.02 0.00 0.00 63.50 61.77 2p2k n PRO 23 Cb 0.65 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 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 -1.22 -0.46 0.04 6.00 -3.43 -0.25 0.15 115.29 116.11 2p2k s HIS 24 Ca 0.62 0.64 -0.11 0.00 -0.80 0.00 0.00 55.06 55.41 2p2k s HIS 24 Cb -0.53 0.33 -0.05 0.00 -1.43 0.00 0.00 32.58 30.89 2p2k s HIS 24 CO 0.57 -0.60 0.37 0.96 -2.00 0.00 0.00 174.74 174.05 2p2k s ILE 25 N -1.90 5.13 0.01 -5.38 -4.36 -0.38 0.23 121.20 114.55 2p2k s ILE 25 Ca -0.08 0.50 0.00 0.00 -0.26 0.00 0.00 60.65 60.81 2p2k s ILE 25 Cb -0.01 -3.64 -0.01 0.00 1.25 0.00 0.00 42.46 40.05 2p2k s ILE 25 CO 0.03 0.40 -0.02 -0.83 0.24 0.00 0.00 174.94 174.75 2p2k s GLY 26 N -1.52 0.18 -0.32 6.27 0.00 0.29 -1.07 107.32 111.15 2p2k s GLY 26 Ca 0.29 -0.43 -0.15 0.00 0.00 0.00 0.00 44.72 44.42 2p2k s GLY 26 CO 0.16 -0.48 0.39 -0.42 0.00 0.00 0.00 173.10 172.74 2p2k s ILE 27 N -1.04 5.15 -0.23 0.90 -1.09 0.76 -0.36 121.20 125.28 2p2k s ILE 27 Ca -0.11 0.29 -0.07 0.00 -2.23 0.00 0.00 60.65 58.53 2p2k s ILE 27 Cb -0.07 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 36.99 2p2k s ILE 27 CO -0.01 -0.01 0.04 -1.81 -1.23 0.00 0.00 174.94 171.93 2p2k s ASP 28 N 1.70 5.02 -0.34 3.58 1.01 0.13 -0.08 116.67 127.70 2p2k s ASP 28 Ca 0.14 -0.20 -0.00 0.00 0.71 0.00 0.00 52.55 53.19 2p2k s ASP 28 Cb -0.16 -1.89 0.08 0.00 1.01 0.00 0.00 42.92 41.97 2p2k s ASP 28 CO 0.11 0.00 0.07 -0.63 0.21 0.00 0.00 175.17 174.94 2p2k s ILE 29 N 1.39 2.86 -1.63 0.77 -1.09 -1.26 -0.05 121.20 122.18 2p2k s ILE 29 Ca 0.05 -1.87 0.00 0.00 -2.23 0.00 0.00 60.65 56.60 2p2k s ILE 29 Cb -0.15 -2.87 0.00 0.00 -1.58 0.00 0.00 42.46 37.87 2p2k s ILE 29 CO 0.02 -0.42 0.00 0.29 -1.23 0.00 0.00 174.94 173.60 2p2k n LYS 30 N 4.51 -1.37 -3.66 2.79 5.02 0.67 -4.91 118.16 121.22 2p2k n LYS 30 Ca -0.05 0.91 -0.15 0.00 -2.02 0.00 0.00 58.31 57.00 2p2k n LYS 30 Cb 0.42 -5.21 -0.08 0.00 -0.02 0.00 0.00 35.03 30.14 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 -2.30 -0.43 0.44 4.39 0.15 -1.26 -4.96 113.70 109.73 2p2k s SER 31 Ca 0.00 0.50 0.30 0.00 0.70 0.00 0.00 55.95 57.44 2p2k s SER 31 Cb 0.00 0.53 1.14 0.00 -1.71 0.00 0.00 66.02 65.99 2p2k s SER 31 CO 0.00 -0.46 1.87 1.62 1.20 0.00 0.00 173.24 177.46 2p2k h VAL 32 N 3.62 0.00 -3.16 4.45 3.04 -1.84 -3.40 116.25 118.97 2p2k h VAL 32 Ca -0.28 -0.47 -0.58 0.00 -1.01 0.00 0.00 66.70 64.35 2p2k h VAL 32 Cb 1.16 1.39 -0.10 0.00 -2.01 0.00 0.00 31.29 31.73 2p2k h VAL 32 CO 0.36 0.00 0.75 -0.13 -1.01 0.00 0.00 177.57 177.54 2p2k s ARG 33 N -3.50 3.40 0.37 4.17 0.52 -1.26 -4.95 118.95 117.69 2p2k s ARG 33 Ca 0.03 -0.07 -0.28 0.00 -0.52 0.00 0.00 55.73 54.89 2p2k s ARG 33 Cb 0.09 -4.05 -0.11 0.00 0.52 0.00 0.00 34.95 31.40 2p2k s ARG 33 CO 0.51 -1.60 1.47 -1.12 0.02 0.00 0.00 175.30 174.59 2p2k s SER 34 N 2.94 6.39 0.42 0.23 0.01 -1.26 -4.79 113.70 117.64 2p2k s SER 34 Ca 0.35 3.01 0.19 0.00 1.31 0.00 0.00 55.95 60.81 2p2k s SER 34 Cb -0.10 -2.66 0.91 0.00 0.21 0.00 0.00 66.02 64.37 2p2k s SER 34 CO 0.21 -0.84 1.86 0.11 0.41 0.00 0.00 173.24 174.99 2p2k h LYS 35 N 3.13 0.00 -2.60 12.44 1.79 -0.82 -3.44 116.57 127.07 2p2k h LYS 35 Ca -0.50 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 57.86 2p2k h LYS 35 Cb 1.24 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.66 2p2k h LYS 35 CO 0.65 0.30 -0.15 0.21 -1.08 0.00 0.00 179.45 179.38 2p2k s LYS 36 N -3.96 0.60 0.14 3.15 2.36 -1.23 -5.00 119.74 115.79 2p2k s LYS 36 Ca -0.02 0.53 0.03 0.00 -2.55 0.00 0.00 55.97 53.96 2p2k s LYS 36 Cb 0.13 0.29 -0.04 0.00 -1.05 0.00 0.00 37.83 37.15 2p2k s LYS 36 CO 0.67 -0.10 -0.06 0.95 1.55 0.00 0.00 175.35 178.36 2p2k s THR 37 N -0.03 0.87 0.02 3.43 -4.23 -1.26 -0.17 115.64 114.27 2p2k s THR 37 Ca -0.02 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 58.52 2p2k s THR 37 Cb -0.03 -1.85 -0.01 0.00 1.34 0.00 0.00 72.50 71.94 2p2k s THR 37 CO 0.02 -0.73 -0.08 0.00 -0.54 0.00 0.00 174.62 173.29 2p2k s ALA 38 N -3.52 0.63 0.24 3.99 0.00 -0.23 -4.96 121.76 117.91 2p2k s ALA 38 Ca 0.17 -0.53 -0.31 0.00 0.00 0.00 0.00 51.96 51.29 2p2k s ALA 38 Cb 0.04 -0.07 -0.11 0.00 0.00 0.00 0.00 23.12 22.98 2p2k s ALA 38 CO -0.01 0.09 1.64 0.21 0.00 0.00 0.00 175.76 177.69 2p2k s LYS 39 N -0.81 4.14 -0.16 0.00 2.20 -1.26 -1.24 119.74 122.60 2p2k s LYS 39 Ca -0.02 2.56 0.01 0.00 -0.36 0.00 0.00 55.97 58.15 2p2k s LYS 39 Cb -0.06 -3.06 0.02 0.00 -1.51 0.00 0.00 37.83 33.22 2p2k s LYS 39 CO 0.00 -0.67 -0.17 -0.46 -0.36 0.00 0.00 175.35 173.69 2p2k s TRP 40 N 0.62 2.47 -1.03 4.03 -0.00 0.12 -4.76 118.94 120.39 2p2k s TRP 40 Ca 0.69 -1.41 -0.21 0.00 -0.00 0.00 0.00 56.10 55.17 2p2k s TRP 40 Cb -0.48 -1.75 0.07 0.00 -0.00 0.00 0.00 33.47 31.31 2p2k s TRP 40 CO 0.39 -0.72 1.41 1.21 -0.00 0.00 0.00 176.95 179.25 2p2k s ASN 41 N 1.31 6.57 0.18 5.86 3.04 -1.26 -4.25 114.94 126.40 2p2k s ASN 41 Ca 0.03 -1.71 -0.31 0.00 0.04 0.00 0.00 52.86 50.91 2p2k s ASN 41 Cb -0.13 -2.53 -0.09 0.00 -1.54 0.00 0.00 41.25 36.95 2p2k s ASN 41 CO -0.10 -1.36 1.46 -0.32 -3.04 0.00 0.00 177.10 173.73 2p2k s MET 42 N 4.34 4.27 -0.51 0.43 -2.45 -1.26 -4.97 119.30 119.16 2p2k s MET 42 Ca 0.44 2.24 -0.09 0.00 -1.25 0.00 0.00 55.69 57.03 2p2k s MET 42 Cb -0.01 -3.17 0.13 0.00 1.25 0.00 0.00 34.83 33.03 2p2k s MET 42 CO -0.08 -0.48 0.39 -0.65 1.05 0.00 0.00 175.02 175.25 2p2k s GLN 43 N 0.62 2.58 0.10 4.11 -0.21 -1.26 -5.05 119.66 120.55 2p2k s GLN 43 Ca 0.64 -1.87 -0.35 0.00 0.02 0.00 0.00 55.36 53.81 2p2k s GLN 43 Cb -0.41 -3.96 -0.15 0.00 1.00 0.00 0.00 33.01 29.49 2p2k s GLN 43 CO 0.35 -1.21 1.53 -1.71 -2.12 0.00 0.00 175.29 172.13 2p2k n ASN 44 N 4.75 2.60 0.00 5.90 2.85 -1.26 -1.44 115.26 128.67 2p2k n ASN 44 Ca -0.06 1.09 0.00 0.00 -0.11 0.00 0.00 54.58 55.50 2p2k n ASN 44 Cb 0.41 -1.33 0.00 0.00 1.24 0.00 0.00 39.78 40.10 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 3.21 0.52 3.94 8.20 0.00 0.87 -4.97 105.19 116.96 2p2k n GLY 45 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.47 3.45 -0.39 1.61 -0.14 -0.52 -4.96 119.74 118.32 2p2k s LYS 46 Ca 0.00 -0.54 -0.24 0.00 -1.36 0.00 0.00 55.97 53.83 2p2k s LYS 46 Cb 0.00 -2.96 0.02 0.00 -1.68 0.00 0.00 37.83 33.20 2p2k s LYS 46 CO 0.00 0.52 0.82 0.08 -0.76 0.00 0.00 175.35 176.01 2p2k s VAL 47 N -1.72 4.67 0.44 3.17 1.01 -1.26 -4.11 120.40 122.59 2p2k s VAL 47 Ca 0.35 0.80 -0.01 0.00 0.00 0.00 0.00 61.98 63.12 2p2k s VAL 47 Cb -0.11 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 2p2k s VAL 47 CO 0.28 -0.56 0.68 -0.83 0.00 0.00 0.00 175.10 174.67 2p2k s GLY 48 N 1.96 1.49 -0.09 4.51 0.00 0.02 -4.24 107.32 110.97 2p2k s GLY 48 Ca 0.32 -0.89 0.02 0.00 0.00 0.00 0.00 44.72 44.18 2p2k s GLY 48 CO 0.20 -0.74 -0.14 -1.59 0.00 0.00 0.00 173.10 170.83 2p2k s THR 49 N -2.56 1.32 -0.17 0.90 2.01 0.11 -1.08 115.64 116.17 2p2k s THR 49 Ca 0.46 -0.56 -0.05 0.00 0.31 0.00 0.00 61.69 61.86 2p2k s THR 49 Cb -0.10 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 2p2k s THR 49 CO 0.39 0.40 -0.01 0.00 -0.69 0.00 0.00 174.62 174.71 2p2k s ALA 50 N 0.84 3.08 -0.11 7.40 0.00 0.65 0.33 121.76 133.95 2p2k s ALA 50 Ca -0.10 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.02 2p2k s ALA 50 Cb -0.15 -1.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.27 2p2k s ALA 50 CO 0.01 0.12 -0.13 -1.01 0.00 0.00 0.00 175.76 174.76 2p2k s HIS 51 N 0.51 2.80 -0.06 0.00 3.76 0.14 -1.25 115.29 121.18 2p2k s HIS 51 Ca -0.02 -0.48 0.02 0.00 -0.15 0.00 0.00 55.06 54.43 2p2k s HIS 51 Cb -0.14 -1.79 0.01 0.00 1.11 0.00 0.00 32.58 31.77 2p2k s HIS 51 CO 0.02 -0.08 -0.12 0.42 -0.85 0.00 0.00 174.74 174.13 2p2k s ILE 52 N 0.04 1.11 0.01 0.60 1.09 0.18 -0.66 121.20 123.56 2p2k s ILE 52 Ca -0.04 -0.47 0.02 0.00 -1.10 0.00 0.00 60.65 59.06 2p2k s ILE 52 Cb -0.14 -1.02 -0.01 0.00 -1.06 0.00 0.00 42.46 40.23 2p2k s ILE 52 CO 0.04 0.35 -0.06 -0.51 -0.10 0.00 0.00 174.94 174.66 2p2k s ILE 53 N 0.65 0.43 -0.13 2.92 2.07 0.46 -0.46 121.20 127.15 2p2k s ILE 53 Ca -0.14 -0.40 -0.13 0.00 -1.41 0.00 0.00 60.65 58.57 2p2k s ILE 53 Cb -0.16 -0.40 0.03 0.00 0.13 0.00 0.00 42.46 42.07 2p2k s ILE 53 CO 0.04 0.01 0.36 -0.47 -1.91 0.00 0.00 174.94 172.97 2p2k s TYR 54 N -0.39 -0.39 0.08 3.50 5.04 -0.47 -0.68 117.35 124.04 2p2k s TYR 54 Ca -0.01 0.92 0.01 0.00 -2.44 0.00 0.00 57.07 55.56 2p2k s TYR 54 Cb -0.04 0.14 -0.04 0.00 0.35 0.00 0.00 41.96 42.37 2p2k s TYR 54 CO -0.00 -0.21 -0.06 0.54 -1.34 0.00 0.00 175.55 174.47 2p2k s ASN 55 N 0.06 1.01 0.00 4.32 2.20 -1.26 -1.34 114.94 119.93 2p2k s ASN 55 Ca -0.01 -0.93 0.20 0.00 -0.94 0.00 0.00 52.86 51.18 2p2k s ASN 55 Cb -0.03 0.10 1.20 0.00 -2.00 0.00 0.00 41.25 40.52 2p2k s ASN 55 CO 0.01 -0.44 1.76 -1.54 -2.94 0.00 0.00 177.10 173.95 2p2k n SER 56 N 0.23 0.00 -0.05 3.54 3.41 0.33 -0.87 113.62 120.19 2p2k n SER 56 Ca -0.14 -1.34 -0.04 0.00 -0.26 0.00 0.00 58.87 57.09 2p2k n SER 56 Cb 0.60 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.54 2p2k n SER 56 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2p2k n VAL 57 N -0.82 1.06 0.22 -3.33 0.31 -1.26 -4.36 118.33 110.14 2p2k n VAL 57 Ca 0.15 0.28 0.09 0.00 -0.01 0.00 0.00 64.34 64.85 2p2k n VAL 57 Cb 0.07 -2.16 0.46 0.00 -0.91 0.00 0.00 33.84 31.30 2p2k n VAL 57 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2p2k h GLY 58 N -0.74 0.00 -6.85 2.92 0.00 -1.98 -3.47 103.07 92.95 2p2k h GLY 58 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 2p2k h GLY 58 CO 0.00 0.00 -0.90 0.28 0.00 0.00 0.00 176.54 175.92 2p2k n LYS 59 N -3.52 -2.15 -4.07 4.80 5.02 -0.05 -4.90 118.16 113.29 2p2k n LYS 59 Ca -0.00 0.26 -0.32 0.00 -2.02 0.00 0.00 58.31 56.22 2p2k n LYS 59 Cb 0.42 -4.42 -0.15 0.00 -0.02 0.00 0.00 35.03 30.86 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 -7.01 2.31 -0.39 1.97 3.52 -1.26 -0.81 118.95 117.28 2p2k s ARG 60 Ca 0.32 -1.30 -0.28 0.00 -0.13 0.00 0.00 55.73 54.34 2p2k s ARG 60 Cb -0.18 -2.88 0.02 0.00 -1.56 0.00 0.00 34.95 30.35 2p2k s ARG 60 CO 0.95 -0.54 1.04 -1.17 -0.81 0.00 0.00 175.30 174.78 2p2k s LEU 61 N 1.12 3.86 0.08 -0.88 2.96 0.02 -4.28 118.68 121.56 2p2k s LEU 61 Ca -0.08 0.67 0.09 0.00 -0.22 0.00 0.00 54.13 54.59 2p2k s LEU 61 Cb -0.19 -3.44 -0.03 0.00 0.50 0.00 0.00 46.19 43.02 2p2k s LEU 61 CO -0.05 -1.01 -0.25 -0.44 -1.32 0.00 0.00 176.35 173.28 2p2k s SER 62 N 2.02 3.01 -0.01 3.68 0.01 0.14 -0.03 113.70 122.52 2p2k s SER 62 Ca 0.44 -0.64 -0.08 0.00 1.31 0.00 0.00 55.95 56.98 2p2k s SER 62 Cb -0.10 -0.23 0.01 0.00 0.21 0.00 0.00 66.02 65.90 2p2k s SER 62 CO 0.22 0.19 0.16 0.00 0.41 0.00 0.00 173.24 174.23 2p2k s ALA 63 N -0.92 -0.40 0.01 1.44 0.00 0.80 -0.40 121.76 122.29 2p2k s ALA 63 Ca 0.11 0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.15 2p2k s ALA 63 Cb -0.10 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 2p2k s ALA 63 CO 0.03 -0.19 -0.11 0.08 0.00 0.00 0.00 175.76 175.58 2p2k s VAL 64 N -1.07 0.86 -0.14 0.00 1.01 0.16 -0.87 120.40 120.35 2p2k s VAL 64 Ca -0.12 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2p2k s VAL 64 Cb -0.06 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.56 2p2k s VAL 64 CO 0.02 0.10 -0.20 -0.69 0.00 0.00 0.00 175.10 174.32 2p2k s VAL 65 N -0.53 2.26 0.17 2.92 1.01 0.52 0.27 120.40 127.02 2p2k s VAL 65 Ca 0.02 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.13 2p2k s VAL 65 Cb -0.06 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 2p2k s VAL 65 CO 0.00 0.54 -0.10 -0.94 0.00 0.00 0.00 175.10 174.60 2p2k s SER 66 N 0.73 1.98 0.20 3.32 1.04 0.15 -0.65 113.70 120.47 2p2k s SER 66 Ca -0.08 -1.04 0.08 0.00 0.48 0.00 0.00 55.95 55.39 2p2k s SER 66 Cb -0.16 -0.04 -0.05 0.00 0.10 0.00 0.00 66.02 65.88 2p2k s SER 66 CO 0.00 -0.32 -0.16 -0.31 0.98 0.00 0.00 173.24 173.44 2p2k s TYR 67 N -3.26 1.79 0.55 5.02 2.02 -0.70 0.09 117.35 122.87 2p2k s TYR 67 Ca 0.19 -0.52 0.24 0.00 -0.37 0.00 0.00 57.07 56.62 2p2k s TYR 67 Cb 0.02 -0.84 1.45 0.00 -0.40 0.00 0.00 41.96 42.19 2p2k s TYR 67 CO 0.03 0.39 2.05 -1.35 -1.57 0.00 0.00 175.55 175.10 2p2k h PRO 68 N 2.72 0.00 0.00 -1.71 0.11 -1.89 0.13 132.00 131.35 2p2k h PRO 68 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2p2k h PRO 68 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2p2k h PRO 68 CO 0.59 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.65 2p2k n ASN 69 N -4.22 0.00 0.00 -2.05 2.04 -1.26 -4.87 115.26 104.90 2p2k n ASN 69 Ca 0.05 -0.07 0.00 0.00 -0.44 0.00 0.00 54.58 54.11 2p2k n ASN 69 Cb 0.42 -0.22 0.00 0.00 -2.53 0.00 0.00 39.78 37.45 2p2k n ASN 69 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2p2k n GLY 70 N 0.09 0.39 3.74 4.83 0.00 0.03 -5.05 105.19 109.22 2p2k n GLY 70 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2p2k n GLY 70 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2p2k s ASP 71 N -2.26 6.42 0.02 1.61 2.15 -1.26 -4.85 116.67 118.50 2p2k s ASP 71 Ca 0.00 2.87 -0.08 0.00 0.43 0.00 0.00 52.55 55.76 2p2k s ASP 71 Cb 0.00 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 2p2k s ASP 71 CO 0.00 -0.91 0.16 -0.94 -0.17 0.00 0.00 175.17 173.32 2p2k s SER 72 N 0.77 0.05 0.00 -0.34 1.04 -1.26 -1.71 113.70 112.24 2p2k s SER 72 Ca 0.67 -0.33 0.07 0.00 0.48 0.00 0.00 55.95 56.85 2p2k s SER 72 Cb -0.47 0.25 -0.02 0.00 0.10 0.00 0.00 66.02 65.88 2p2k s SER 72 CO 0.41 -0.48 -0.22 0.00 0.98 0.00 0.00 173.24 173.93 2p2k s ALA 73 N -2.14 1.80 -0.00 5.32 0.00 0.18 -4.96 121.76 121.96 2p2k s ALA 73 Ca -0.09 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 50.96 2p2k s ALA 73 Cb -0.03 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 2p2k s ALA 73 CO -0.02 0.43 -0.16 0.99 0.00 0.00 0.00 175.76 177.00 2p2k s THR 74 N -0.58 1.28 -0.01 0.00 2.01 -1.26 -0.35 115.64 116.73 2p2k s THR 74 Ca 0.08 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.32 2p2k s THR 74 Cb -0.08 -1.08 -0.00 0.00 0.01 0.00 0.00 72.50 71.35 2p2k s THR 74 CO -0.00 0.32 0.03 0.54 -0.69 0.00 0.00 174.62 174.81 2p2k s VAL 75 N -0.45 0.02 0.01 3.82 0.11 -0.05 -4.56 120.40 119.31 2p2k s VAL 75 Ca 0.06 -0.17 -0.00 0.00 -2.93 0.00 0.00 61.98 58.94 2p2k s VAL 75 Cb -0.07 -0.10 -0.01 0.00 -1.53 0.00 0.00 36.38 34.67 2p2k s VAL 75 CO -0.00 -0.09 -0.01 -0.44 -3.33 0.00 0.00 175.10 171.22 2p2k s SER 76 N -0.27 0.16 -0.07 3.54 0.01 -1.26 -0.14 113.70 115.67 2p2k s SER 76 Ca -0.03 -0.33 -0.03 0.00 1.31 0.00 0.00 55.95 56.87 2p2k s SER 76 Cb -0.02 0.08 0.04 0.00 0.21 0.00 0.00 66.02 66.33 2p2k s SER 76 CO -0.00 -0.21 0.15 -0.47 0.41 0.00 0.00 173.24 173.12 2p2k s TYR 77 N -1.01 -0.17 0.02 2.43 5.04 0.95 -4.91 117.35 119.70 2p2k s TYR 77 Ca -0.11 0.54 -0.30 0.00 -2.44 0.00 0.00 57.07 54.76 2p2k s TYR 77 Cb -0.07 -0.16 -0.06 0.00 0.35 0.00 0.00 41.96 42.01 2p2k s TYR 77 CO -0.01 -0.21 1.50 -0.51 -1.34 0.00 0.00 175.55 174.99 2p2k s ASP 78 N 1.67 6.75 -0.26 4.32 1.11 -1.26 -0.80 116.67 128.20 2p2k s ASP 78 Ca -0.04 2.25 -0.17 0.00 0.18 0.00 0.00 52.55 54.78 2p2k s ASP 78 Cb -0.12 -2.56 0.07 0.00 1.07 0.00 0.00 42.92 41.39 2p2k s ASP 78 CO -0.06 -0.79 0.65 0.54 1.18 0.00 0.00 175.17 176.69 2p2k s VAL 79 N 2.57 -0.00 -0.73 -1.27 0.11 0.01 -4.95 120.40 116.14 2p2k s VAL 79 Ca 0.68 0.01 -0.20 0.00 -2.93 0.00 0.00 61.98 59.54 2p2k s VAL 79 Cb -0.34 -0.93 0.10 0.00 -1.53 0.00 0.00 36.38 33.68 2p2k s VAL 79 CO 0.29 0.00 0.95 -0.62 -3.33 0.00 0.00 175.10 172.39 2p2k s ASP 80 N 1.27 6.33 0.61 3.54 -1.08 -1.26 -4.52 116.67 121.56 2p2k s ASP 80 Ca -0.07 -1.47 0.39 0.00 -0.52 0.00 0.00 52.55 50.88 2p2k s ASP 80 Cb -0.05 -2.38 1.87 0.00 -1.46 0.00 0.00 42.92 40.90 2p2k s ASP 80 CO -0.14 -1.23 2.17 -0.07 0.52 0.00 0.00 175.17 176.43 2p2k h LEU 81 N 10.65 0.00 -2.00 -1.34 3.38 -1.96 -1.28 115.31 122.76 2p2k h LEU 81 Ca -0.14 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.09 2p2k h LEU 81 Cb 1.06 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 2p2k h LEU 81 CO 1.13 0.00 0.64 0.44 0.09 0.00 0.00 178.44 180.74 2p2k h ASP 82 N 0.00 0.00 -0.03 -0.43 5.19 -1.89 0.11 116.42 119.37 2p2k h ASP 82 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2p2k h ASP 82 Cb 0.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.78 2p2k h ASP 82 CO 0.00 0.00 -0.11 0.59 -3.12 0.00 0.00 179.24 176.60 2p2k n ASN 83 N -4.26 2.73 -0.01 6.45 5.03 -0.49 -4.49 115.26 120.22 2p2k n ASN 83 Ca 0.18 -1.86 -0.05 0.00 0.87 0.00 0.00 54.58 53.71 2p2k n ASN 83 Cb 0.95 0.11 -0.02 0.00 -1.02 0.00 0.00 39.78 39.81 2p2k n ASN 83 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2p2k n VAL 84 N 1.00 1.04 -3.35 2.41 0.31 -0.36 -5.06 118.33 114.32 2p2k n VAL 84 Ca 0.13 0.16 -0.33 0.00 -0.01 0.00 0.00 64.34 64.29 2p2k n VAL 84 Cb 0.56 -1.77 -0.06 0.00 -0.91 0.00 0.00 33.84 31.66 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 -7.02 4.18 0.87 7.52 1.43 0.24 -4.97 118.68 120.93 2p2k s LEU 85 Ca -0.11 1.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.89 2p2k s LEU 85 Cb 0.03 -3.67 0.12 0.00 0.03 0.00 0.00 46.19 42.69 2p2k s LEU 85 CO 0.15 -0.06 1.17 -0.81 0.23 0.00 0.00 176.35 177.03 2p2k n PRO 86 N 0.01 -0.17 -0.30 1.29 -0.04 -1.26 -4.80 135.00 129.73 2p2k n PRO 86 Ca -0.00 0.02 0.02 0.00 -0.04 0.00 0.00 63.50 63.50 2p2k n PRO 86 Cb 0.52 -2.41 0.15 0.00 -0.04 0.00 0.00 33.50 31.73 2p2k n PRO 86 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2p2k h GLU 87 N -1.46 0.86 -6.24 0.54 4.81 -1.94 -3.41 114.58 107.74 2p2k h GLU 87 Ca -0.44 -0.05 -0.68 0.00 -0.13 0.00 0.00 59.36 58.05 2p2k h GLU 87 Cb 1.28 -0.19 -0.20 0.00 0.63 0.00 0.00 28.75 30.27 2p2k h GLU 87 CO 0.43 0.57 -0.72 -1.58 -0.73 0.00 0.00 179.01 176.98 2p2k s TRP 88 N -6.05 2.86 0.21 0.92 0.52 -1.26 -0.89 118.94 115.25 2p2k s TRP 88 Ca -0.12 -0.04 -0.04 0.00 0.02 0.00 0.00 56.10 55.92 2p2k s TRP 88 Cb 0.19 -1.65 -0.03 0.00 -1.15 0.00 0.00 33.47 30.82 2p2k s TRP 88 CO 0.79 0.31 0.20 0.14 0.02 0.00 0.00 176.95 178.40 2p2k s VAL 89 N -0.85 0.01 0.20 4.03 -7.23 0.15 -4.21 120.40 112.50 2p2k s VAL 89 Ca 0.14 -1.87 0.08 0.00 -1.81 0.00 0.00 61.98 58.52 2p2k s VAL 89 Cb -0.11 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 2p2k s VAL 89 CO 0.03 -0.03 -0.00 -0.13 -0.31 0.00 0.00 175.10 174.66 2p2k s ARG 90 N -4.12 2.36 0.10 4.82 0.52 0.52 0.52 118.95 123.67 2p2k s ARG 90 Ca 0.35 -1.19 0.09 0.00 -0.52 0.00 0.00 55.73 54.46 2p2k s ARG 90 Cb 0.05 -2.30 -0.04 0.00 0.52 0.00 0.00 34.95 33.19 2p2k s ARG 90 CO 0.11 0.43 -0.21 0.14 0.02 0.00 0.00 175.30 175.79 2p2k s VAL 91 N -1.87 2.65 0.26 3.52 -7.23 -1.26 -0.21 120.40 116.25 2p2k s VAL 91 Ca 0.28 -1.48 -0.16 0.00 -1.81 0.00 0.00 61.98 58.80 2p2k s VAL 91 Cb -0.09 -2.17 0.06 0.00 0.56 0.00 0.00 36.38 34.75 2p2k s VAL 91 CO 0.19 0.17 0.83 0.61 -0.31 0.00 0.00 175.10 176.58 2p2k n GLY 92 N 1.06 0.87 3.16 2.32 0.00 0.71 -1.07 105.19 112.23 2p2k n GLY 92 Ca -0.16 -1.18 -0.24 0.00 0.00 0.00 0.00 46.02 44.44 2p2k n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p2k s LEU 93 N 0.00 2.04 0.05 0.99 1.43 0.55 0.15 118.68 123.89 2p2k s LEU 93 Ca 0.18 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 2p2k s LEU 93 Cb -0.03 -0.86 -0.03 0.00 0.03 0.00 0.00 46.19 45.30 2p2k s LEU 93 CO 0.08 0.20 -0.06 -0.55 0.23 0.00 0.00 176.35 176.25 2p2k s SER 94 N -0.43 0.72 0.12 2.29 0.15 0.93 -0.85 113.70 116.64 2p2k s SER 94 Ca 0.06 -0.64 -0.18 0.00 0.70 0.00 0.00 55.95 55.89 2p2k s SER 94 Cb -0.07 0.07 0.04 0.00 -1.71 0.00 0.00 66.02 64.36 2p2k s SER 94 CO -0.01 -0.30 0.44 0.00 1.20 0.00 0.00 173.24 174.57 2p2k s ALA 95 N -1.94 -1.06 0.14 5.45 0.00 -0.50 0.59 121.76 124.45 2p2k s ALA 95 Ca -0.07 0.11 -0.13 0.00 0.00 0.00 0.00 51.96 51.87 2p2k s ALA 95 Cb -0.06 0.66 0.01 0.00 0.00 0.00 0.00 23.12 23.73 2p2k s ALA 95 CO -0.02 -0.63 0.35 -1.54 0.00 0.00 0.00 175.76 173.92 2p2k s SER 96 N -2.65 -0.09 0.21 0.00 1.04 -0.94 -2.08 113.70 109.19 2p2k s SER 96 Ca 0.01 -0.56 0.04 0.00 0.48 0.00 0.00 55.95 55.92 2p2k s SER 96 Cb 0.01 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.54 2p2k s SER 96 CO -0.10 -0.88 -0.03 0.42 0.98 0.00 0.00 173.24 173.63 2p2k s THR 97 N -3.87 1.07 0.00 2.02 -4.23 0.53 0.39 115.64 111.55 2p2k s THR 97 Ca 0.08 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 2p2k s THR 97 Cb 0.02 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.66 2p2k s THR 97 CO -0.07 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.18 2p2k n GLY 98 N -0.36 3.52 0.33 3.99 0.00 -1.26 -0.41 105.19 111.01 2p2k n GLY 98 Ca -0.06 -0.38 -0.05 0.00 0.00 0.00 0.00 46.02 45.52 2p2k n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2p2k h LEU 99 N 0.00 1.05-10.25 0.99 5.85 -1.98 0.20 115.31 111.18 2p2k h LEU 99 Ca 0.00 -0.15 -0.46 0.00 0.84 0.00 0.00 57.88 58.11 2p2k h LEU 99 Cb 0.00 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 2p2k h LEU 99 CO 0.00 0.90 -0.36 -0.31 -0.34 0.00 0.00 178.44 178.34 2p2k s TYR 100 N -5.66 2.90 0.26 1.25 2.02 -1.26 -4.81 117.35 112.06 2p2k s TYR 100 Ca -0.13 -0.34 -0.20 0.00 -0.37 0.00 0.00 57.07 56.04 2p2k s TYR 100 Cb 0.15 -2.07 0.02 0.00 -0.40 0.00 0.00 41.96 39.66 2p2k s TYR 100 CO 0.83 -0.08 0.66 -1.59 -1.57 0.00 0.00 175.55 173.80 2p2k s LYS 101 N -4.16 1.71 -0.03 -0.62 0.00 -1.21 -4.28 119.74 111.14 2p2k s LYS 101 Ca 0.47 -1.00 -0.29 0.00 0.00 0.00 0.00 55.97 55.15 2p2k s LYS 101 Cb -0.07 0.58 0.10 0.00 0.00 0.00 0.00 37.83 38.44 2p2k s LYS 101 CO 0.30 -0.77 0.84 -1.83 0.00 0.00 0.00 175.35 173.89 2p2k s GLU 102 N -3.93 0.86 0.38 1.78 -1.05 -1.02 -3.37 118.70 112.36 2p2k s GLU 102 Ca 0.12 -0.11 -0.26 0.00 -0.15 0.00 0.00 54.97 54.57 2p2k s GLU 102 Cb -0.05 0.40 -0.09 0.00 -0.44 0.00 0.00 34.13 33.96 2p2k s GLU 102 CO 0.06 -0.33 1.14 0.95 0.95 0.00 0.00 175.26 178.02 2p2k s THR 103 N -2.35 3.30 -0.63 1.83 -4.23 0.62 -4.73 115.64 109.46 2p2k s THR 103 Ca -0.00 1.11 0.06 0.00 -1.18 0.00 0.00 61.69 61.68 2p2k s THR 103 Cb -0.01 -3.63 0.25 0.00 1.34 0.00 0.00 72.50 70.45 2p2k s THR 103 CO -0.04 0.12 0.75 0.59 -0.54 0.00 0.00 174.62 175.50 2p2k n ASN 104 N 0.24 3.70 -4.69 3.99 3.02 -1.26 -3.62 115.26 116.64 2p2k n ASN 104 Ca 0.03 -3.43 -0.38 0.00 -0.03 0.00 0.00 54.58 50.77 2p2k n ASN 104 Cb 0.47 -0.67 -0.07 0.00 -0.61 0.00 0.00 39.78 38.90 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 -2.50 5.18 -0.28 3.41 2.01 -1.02 -1.75 115.64 120.68 2p2k s THR 105 Ca 0.40 0.84 -0.11 0.00 0.31 0.00 0.00 61.69 63.13 2p2k s THR 105 Cb 0.15 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 2p2k s THR 105 CO -0.02 0.26 0.18 -0.63 -0.69 0.00 0.00 174.62 173.72 2p2k s ILE 106 N 1.17 5.18 -0.10 1.82 -1.09 0.27 -0.36 121.20 128.09 2p2k s ILE 106 Ca 0.22 0.08 0.15 0.00 -2.23 0.00 0.00 60.65 58.88 2p2k s ILE 106 Cb -0.15 -3.48 -0.18 0.00 -1.58 0.00 0.00 42.46 37.07 2p2k s ILE 106 CO 0.09 0.23 0.73 0.18 -1.23 0.00 0.00 174.94 174.94 2p2k n LEU 107 N 5.05 0.81 -3.45 2.97 4.32 -0.20 -0.83 117.00 125.67 2p2k n LEU 107 Ca -0.14 0.37 -0.11 0.00 -0.02 0.00 0.00 56.01 56.11 2p2k n LEU 107 Cb 0.52 0.13 -0.02 0.00 -1.62 0.00 0.00 43.42 42.42 2p2k n LEU 107 CO 0.33 0.24 0.45 -0.94 -1.22 0.00 0.00 177.39 176.25 2p2k s SER 108 N -5.85 -0.52 -0.30 -1.43 1.04 -1.22 -4.46 113.70 100.96 2p2k s SER 108 Ca -0.04 -0.03 -0.12 0.00 0.48 0.00 0.00 55.95 56.25 2p2k s SER 108 Cb 0.08 0.57 0.12 0.00 0.10 0.00 0.00 66.02 66.90 2p2k s SER 108 CO 0.82 -0.93 0.69 0.86 0.98 0.00 0.00 173.24 175.66 2p2k s TRP 109 N -3.66 -1.22 0.13 5.02 -0.00 0.12 -1.55 118.94 117.79 2p2k s TRP 109 Ca 0.02 2.18 0.07 0.00 -0.00 0.00 0.00 56.10 58.38 2p2k s TRP 109 Cb -0.01 0.73 -0.04 0.00 -0.00 0.00 0.00 33.47 34.15 2p2k s TRP 109 CO -0.11 -0.61 -0.17 -1.54 -0.00 0.00 0.00 176.95 174.52 2p2k s SER 110 N 2.56 2.32 -0.17 5.86 1.04 0.89 0.44 113.70 126.63 2p2k s SER 110 Ca -0.07 -0.80 -0.20 0.00 0.48 0.00 0.00 55.95 55.36 2p2k s SER 110 Cb -0.10 -0.11 0.05 0.00 0.10 0.00 0.00 66.02 65.96 2p2k s SER 110 CO -0.19 -0.07 0.55 0.12 0.98 0.00 0.00 173.24 174.63 2p2k s PHE 111 N -1.92 -0.58 -0.02 5.02 5.36 0.45 -1.20 117.98 125.08 2p2k s PHE 111 Ca 0.11 1.35 -0.00 0.00 -0.96 0.00 0.00 56.93 57.42 2p2k s PHE 111 Cb -0.06 0.22 0.03 0.00 -0.34 0.00 0.00 43.02 42.87 2p2k s PHE 111 CO 0.04 -0.34 0.04 0.99 -1.46 0.00 0.00 175.22 174.49 2p2k s THR 112 N -0.03 -0.06 0.02 0.12 2.01 -0.03 -0.38 115.64 117.29 2p2k s THR 112 Ca -0.03 0.21 0.08 0.00 0.31 0.00 0.00 61.69 62.26 2p2k s THR 112 Cb -0.04 -0.09 -0.02 0.00 0.01 0.00 0.00 72.50 72.36 2p2k s THR 112 CO 0.02 0.08 -0.23 -0.94 -0.69 0.00 0.00 174.62 172.87 2p2k s SER 113 N 1.05 2.73 0.03 3.53 1.04 0.58 -0.68 113.70 121.98 2p2k s SER 113 Ca -0.09 -0.49 0.02 0.00 0.48 0.00 0.00 55.95 55.87 2p2k s SER 113 Cb -0.12 -0.26 -0.02 0.00 0.10 0.00 0.00 66.02 65.71 2p2k s SER 113 CO -0.03 0.24 -0.07 -0.54 0.98 0.00 0.00 173.24 173.82 2p2k s LYS 114 N -0.93 0.48 -0.19 4.02 1.02 0.78 -0.52 119.74 124.40 2p2k s LYS 114 Ca 0.09 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.52 2p2k s LYS 114 Cb -0.09 -0.31 0.04 0.00 -0.52 0.00 0.00 37.83 36.95 2p2k s LYS 114 CO 0.01 0.07 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.92 2p2k s LEU 115 N -1.11 1.98 0.08 3.17 1.43 0.12 -0.96 118.68 123.39 2p2k s LEU 115 Ca -0.06 -0.81 0.08 0.00 -1.03 0.00 0.00 54.13 52.31 2p2k s LEU 115 Cb -0.07 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 2p2k s LEU 115 CO 0.00 -0.17 -0.16 -0.54 0.23 0.00 0.00 176.35 175.71 2p2k s LYS 116 N 1.51 1.99 0.00 1.70 1.02 0.76 -0.46 119.74 126.26 2p2k s LYS 116 Ca -0.01 -1.06 0.00 0.00 0.02 0.00 0.00 55.97 54.93 2p2k s LYS 116 Cb -0.16 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.95 2p2k s LYS 116 CO -0.08 0.51 0.00 -1.13 -0.92 0.00 0.00 175.35 173.73 2p2k n SER 117 N 1.05 0.00 0.00 2.83 3.41 -1.26 0.05 113.62 119.70 2p2k n SER 117 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2p2k n SER 117 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2p2k n SER 117 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2p2k n ASN 118 N -0.31 0.00 0.18 4.04 0.23 -1.26 -4.90 115.26 113.24 2p2k n ASN 118 Ca 0.00 0.67 -0.08 0.00 -0.53 0.00 0.00 54.58 54.64 2p2k n ASN 118 Cb 0.00 -0.17 -0.04 0.00 -2.08 0.00 0.00 39.78 37.50 2p2k n ASN 118 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2p2k h SER 119 N 0.00 -0.44 0.00 0.53 4.64 -2.02 -3.54 113.55 112.73 2p2k h SER 119 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2p2k h SER 119 Cb 0.00 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2p2k h SER 119 CO 0.00 -0.13 0.00 0.41 -0.87 0.00 0.00 176.83 176.24 2p2k n THR 123 N -4.41 0.00 -3.97 2.95 -1.04 -1.26 -5.20 114.28 101.36 2p2k n THR 123 Ca -0.06 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.58 2p2k n THR 123 Cb 0.20 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.65 2p2k n THR 123 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2p2k s ASN 124 N 0.00 6.16 0.01 8.00 0.02 0.39 -4.96 114.94 124.56 2p2k s ASN 124 Ca 0.00 0.39 -0.15 0.00 -1.02 0.00 0.00 52.86 52.09 2p2k s ASN 124 Cb 0.00 -1.96 0.02 0.00 0.02 0.00 0.00 41.25 39.33 2p2k s ASN 124 CO 0.00 0.39 0.31 0.00 0.02 0.00 0.00 177.10 177.82 2p2k s ALA 125 N -0.92 -0.76 -0.01 0.60 0.00 -1.26 0.14 121.76 119.55 2p2k s ALA 125 Ca 0.14 0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.31 2p2k s ALA 125 Cb -0.12 0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.19 2p2k s ALA 125 CO 0.03 -0.33 -0.01 -1.17 0.00 0.00 0.00 175.76 174.29 2p2k s LEU 126 N -1.64 1.64 -0.01 0.00 2.96 0.32 -4.98 118.68 116.97 2p2k s LEU 126 Ca -0.10 -0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 2p2k s LEU 126 Cb -0.03 -0.15 0.01 0.00 0.50 0.00 0.00 46.19 46.52 2p2k s LEU 126 CO 0.01 -0.03 -0.01 -2.28 -1.32 0.00 0.00 176.35 172.72 2p2k s HIS 127 N 0.40 0.23 0.04 5.38 5.65 -1.26 -0.31 115.29 125.43 2p2k s HIS 127 Ca -0.04 -0.02 -0.00 0.00 0.25 0.00 0.00 55.06 55.25 2p2k s HIS 127 Cb -0.06 -0.22 -0.03 0.00 -1.18 0.00 0.00 32.58 31.08 2p2k s HIS 127 CO -0.01 -0.05 -0.03 -0.59 -0.65 0.00 0.00 174.74 173.41 2p2k s PHE 128 N 0.32 0.45 -0.08 3.88 -0.12 0.48 -4.99 117.98 117.93 2p2k s PHE 128 Ca -0.03 -0.82 -0.04 0.00 -0.05 0.00 0.00 56.93 55.99 2p2k s PHE 128 Cb -0.05 -0.32 0.04 0.00 -0.63 0.00 0.00 43.02 42.05 2p2k s PHE 128 CO -0.01 -0.28 0.17 1.41 -0.05 0.00 0.00 175.22 176.47 2p2k s MET 129 N -2.85 0.13 -0.19 1.99 1.75 -1.26 -0.41 119.30 118.45 2p2k s MET 129 Ca -0.02 0.41 0.00 0.00 -1.25 0.00 0.00 55.69 54.83 2p2k s MET 129 Cb 0.00 -0.16 0.02 0.00 2.84 0.00 0.00 34.83 37.53 2p2k s MET 129 CO -0.06 -0.16 -0.17 -0.06 -0.65 0.00 0.00 175.02 173.92 2p2k s PHE 130 N 1.18 2.83 -0.58 4.11 0.40 0.17 -4.91 117.98 121.19 2p2k s PHE 130 Ca -0.09 -1.56 0.16 0.00 -0.60 0.00 0.00 56.93 54.84 2p2k s PHE 130 Cb -0.11 -1.95 -0.20 0.00 0.51 0.00 0.00 43.02 41.27 2p2k s PHE 130 CO -0.07 -0.77 0.60 0.09 0.70 0.00 0.00 175.22 175.78 2p2k n ASN 131 N 4.64 0.87 -3.86 1.36 3.02 -1.26 -0.70 115.26 119.32 2p2k n ASN 131 Ca -0.20 -0.66 -0.12 0.00 -0.03 0.00 0.00 54.58 53.56 2p2k n ASN 131 Cb 0.50 1.19 -0.14 0.00 -0.61 0.00 0.00 39.78 40.72 2p2k n ASN 131 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2p2k s GLN 132 N -2.68 0.00 -0.08 3.52 -0.21 -1.26 -4.69 119.66 114.26 2p2k s GLN 132 Ca 0.03 0.01 -0.04 0.00 0.02 0.00 0.00 55.36 55.38 2p2k s GLN 132 Cb 0.12 -0.02 -0.04 0.00 1.00 0.00 0.00 33.01 34.07 2p2k s GLN 132 CO 0.67 -0.01 0.10 -0.06 -2.12 0.00 0.00 175.29 173.86 2p2k s PHE 133 N 0.08 3.42 0.17 0.91 0.40 0.17 -5.01 117.98 118.13 2p2k s PHE 133 Ca -0.01 0.36 -0.04 0.00 -0.60 0.00 0.00 56.93 56.64 2p2k s PHE 133 Cb -0.01 -1.85 -0.05 0.00 0.51 0.00 0.00 43.02 41.62 2p2k s PHE 133 CO -0.00 0.62 0.40 -1.12 0.70 0.00 0.00 175.22 175.82 2p2k s SER 134 N -1.23 6.47 0.35 1.36 0.01 -1.26 -3.74 113.70 115.66 2p2k s SER 134 Ca 0.17 0.58 0.13 0.00 1.31 0.00 0.00 55.95 58.15 2p2k s SER 134 Cb -0.12 -2.09 0.98 0.00 0.21 0.00 0.00 66.02 65.01 2p2k s SER 134 CO 0.07 0.01 1.74 0.50 0.41 0.00 0.00 173.24 175.97 2p2k h LYS 135 N 2.57 0.48 -3.10 12.44 3.64 -1.90 -3.10 116.57 127.61 2p2k h LYS 135 Ca -0.46 -0.03 -0.62 0.00 -1.27 0.00 0.00 60.65 58.26 2p2k h LYS 135 Cb 1.17 -0.11 -0.41 0.00 -0.41 0.00 0.00 32.23 32.47 2p2k h LYS 135 CO 0.71 0.32 -0.63 0.34 -2.27 0.00 0.00 179.45 177.92 2p2k s ASP 136 N -5.19 4.32 -0.76 4.20 2.15 -1.26 -4.74 116.67 115.39 2p2k s ASP 136 Ca -0.10 -3.47 -0.19 0.00 0.43 0.00 0.00 52.55 49.22 2p2k s ASP 136 Cb 0.27 -1.49 0.12 0.00 -0.30 0.00 0.00 42.92 41.52 2p2k s ASP 136 CO 0.80 -0.14 0.92 -1.58 -0.17 0.00 0.00 175.17 175.00 2p2k s GLN 137 N -0.88 3.34 0.42 4.34 2.00 -1.17 -4.86 119.66 122.84 2p2k s GLN 137 Ca 0.23 -1.54 0.29 0.00 -2.00 0.00 0.00 55.36 52.33 2p2k s GLN 137 Cb -0.11 -4.53 1.06 0.00 0.80 0.00 0.00 33.01 30.24 2p2k s GLN 137 CO -0.11 -1.65 1.83 0.87 -0.50 0.00 0.00 175.29 175.73 2p2k h LYS 138 N 8.95 0.00 -0.46 1.67 1.57 -1.95 -1.95 116.57 124.40 2p2k h LYS 138 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2p2k h LYS 138 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2p2k h LYS 138 CO 1.07 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.55 2p2k n ASP 139 N -2.75 2.49 -4.33 0.86 5.68 -1.26 -4.81 116.55 112.42 2p2k n ASP 139 Ca 0.02 -2.00 -0.32 0.00 -0.50 0.00 0.00 54.79 52.00 2p2k n ASP 139 Cb 0.32 -0.31 -0.15 0.00 -1.14 0.00 0.00 41.12 39.84 2p2k n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2p2k s LEU 140 N -1.01 2.26 -0.45 -2.12 1.43 -0.73 0.43 118.68 118.48 2p2k s LEU 140 Ca 0.31 -0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 52.81 2p2k s LEU 140 Cb 0.16 -1.42 0.04 0.00 0.03 0.00 0.00 46.19 45.00 2p2k s LEU 140 CO 0.21 0.28 0.52 -0.63 0.23 0.00 0.00 176.35 176.97 2p2k s ILE 141 N -0.37 4.99 -0.08 -0.59 1.01 0.93 -4.85 121.20 122.24 2p2k s ILE 141 Ca 0.03 -0.37 -0.22 0.00 0.00 0.00 0.00 60.65 60.09 2p2k s ILE 141 Cb -0.12 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 2p2k s ILE 141 CO 0.02 -0.57 0.64 -0.76 0.00 0.00 0.00 174.94 174.26 2p2k s LEU 142 N 2.35 4.31 0.16 2.97 1.43 -1.26 -0.95 118.68 127.69 2p2k s LEU 142 Ca 0.14 1.08 0.11 0.00 -1.03 0.00 0.00 54.13 54.44 2p2k s LEU 142 Cb -0.18 -2.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.03 2p2k s LEU 142 CO 0.13 -0.08 -0.26 -1.10 0.23 0.00 0.00 176.35 175.28 2p2k s GLN 143 N 0.73 1.44 7.61 1.70 -0.21 0.15 -4.95 119.66 126.13 2p2k s GLN 143 Ca 0.34 -1.42 0.00 0.00 0.02 0.00 0.00 55.36 54.30 2p2k s GLN 143 Cb -0.17 -1.86 0.00 0.00 1.00 0.00 0.00 33.01 31.98 2p2k s GLN 143 CO 0.16 0.43 0.00 0.41 -2.12 0.00 0.00 175.29 174.16 2p2k n GLY 144 N 0.64 3.21 0.39 3.09 0.00 -1.26 -1.68 105.19 109.58 2p2k n GLY 144 Ca -0.16 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 4.88 1.17 -4.76 1.61 8.00 0.18 -4.91 116.55 122.73 2p2k n ASP 145 Ca 0.00 -1.53 -0.41 0.00 0.71 0.00 0.00 54.79 53.56 2p2k n ASP 145 Cb 0.00 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 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 -1.90 3.48 0.04 2.24 0.00 -1.02 -4.44 121.76 120.15 2p2k s ALA 146 Ca 0.35 1.13 0.01 0.00 0.00 0.00 0.00 51.96 53.44 2p2k s ALA 146 Cb 0.18 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 2p2k s ALA 146 CO 0.28 -0.48 -0.05 0.95 0.00 0.00 0.00 175.76 176.46 2p2k s THR 147 N -0.88 0.32 0.21 0.00 -4.23 -0.23 -4.68 115.64 106.14 2p2k s THR 147 Ca 0.49 -1.14 0.11 0.00 -1.18 0.00 0.00 61.69 59.97 2p2k s THR 147 Cb -0.37 -0.62 -0.05 0.00 1.34 0.00 0.00 72.50 72.80 2p2k s THR 147 CO 0.46 -0.54 -0.21 0.42 -0.54 0.00 0.00 174.62 174.22 2p2k s THR 148 N -1.85 2.52 0.00 3.99 -4.23 -1.26 0.31 115.64 115.12 2p2k s THR 148 Ca -0.09 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.34 2p2k s THR 148 Cb -0.07 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.52 2p2k s THR 148 CO -0.02 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 2p2k n GLY 149 N -0.01 -2.26 0.74 3.99 0.00 -0.63 -4.04 105.19 102.98 2p2k n GLY 149 Ca -0.10 -1.53 0.12 0.00 0.00 0.00 0.00 46.02 44.51 2p2k n GLY 149 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2p2k n THR 150 N -0.49 0.16 1.92 2.61 5.66 -1.26 -4.31 114.28 118.56 2p2k n THR 150 Ca 0.00 -0.43 0.12 0.00 -3.05 0.00 0.00 64.05 60.69 2p2k n THR 150 Cb 0.00 0.78 0.70 0.00 -1.55 0.00 0.00 70.33 70.26 2p2k n THR 150 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2p2k n ASP 151 N 0.74 0.19 0.00 1.09 5.68 -1.26 -4.87 116.55 118.12 2p2k n ASP 151 Ca 0.17 -1.28 0.00 0.00 -0.50 0.00 0.00 54.79 53.18 2p2k n ASP 151 Cb 0.45 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 2p2k n ASP 151 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2p2k n GLY 152 N 0.92 0.67 3.95 6.12 0.00 -1.25 -4.96 105.19 110.64 2p2k n GLY 152 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.36 6.30 -0.31 1.61 0.01 -1.26 0.46 114.94 119.38 2p2k s ASN 153 Ca 0.00 0.10 -0.14 0.00 -0.71 0.00 0.00 52.86 52.11 2p2k s ASN 153 Cb 0.00 -1.86 -0.03 0.00 0.41 0.00 0.00 41.25 39.77 2p2k s ASN 153 CO 0.00 -0.02 0.33 -0.22 -1.51 0.00 0.00 177.10 175.69 2p2k s LEU 154 N -3.65 4.26 -0.47 0.60 2.96 -0.01 -1.60 118.68 120.77 2p2k s LEU 154 Ca 0.34 -0.05 -0.15 0.00 -0.22 0.00 0.00 54.13 54.05 2p2k s LEU 154 Cb -0.10 -2.32 0.08 0.00 0.50 0.00 0.00 46.19 44.35 2p2k s LEU 154 CO 0.29 -0.24 0.39 -1.61 -1.32 0.00 0.00 176.35 173.85 2p2k s GLU 155 N 1.98 2.95 0.20 1.98 0.41 0.15 0.96 118.70 127.33 2p2k s GLU 155 Ca 0.12 -1.38 -0.08 0.00 -0.41 0.00 0.00 54.97 53.22 2p2k s GLU 155 Cb -0.16 -4.12 0.12 0.00 -1.78 0.00 0.00 34.13 28.19 2p2k s GLU 155 CO 0.11 -1.04 1.68 -0.07 -0.49 0.00 0.00 175.26 175.45 2p2k h LEU 156 N 8.74 1.03 -9.51 1.80 3.38 -1.59 -0.61 115.31 118.55 2p2k h LEU 156 Ca -0.28 -0.26 -0.60 0.00 0.09 0.00 0.00 57.88 56.83 2p2k h LEU 156 Cb 1.11 -0.28 -0.12 0.00 0.09 0.00 0.00 40.66 41.46 2p2k h LEU 156 CO 0.88 1.05 -0.65 0.42 0.09 0.00 0.00 178.44 180.23 2p2k s THR 157 N -5.12 2.54 -0.05 0.22 -4.23 -1.26 -2.47 115.64 105.26 2p2k s THR 157 Ca -0.12 -2.08 -0.35 0.00 -1.18 0.00 0.00 61.69 57.97 2p2k s THR 157 Cb 0.14 -2.71 -0.13 0.00 1.34 0.00 0.00 72.50 71.15 2p2k s THR 157 CO 0.85 -0.23 1.80 0.54 -0.54 0.00 0.00 174.62 177.04 2p2k n ARG 158 N -0.87 2.06 -5.08 3.99 5.12 -1.26 -4.71 116.66 115.91 2p2k n ARG 158 Ca -0.05 0.75 -0.32 0.00 -1.93 0.00 0.00 57.85 56.30 2p2k n ARG 158 Cb 0.62 -2.56 -0.16 0.00 -1.16 0.00 0.00 32.46 29.20 2p2k n ARG 158 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2p2k s VAL 159 N 3.33 2.37 0.77 1.55 1.01 -1.26 -0.33 120.40 127.85 2p2k s VAL 159 Ca 0.90 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 2p2k s VAL 159 Cb -0.73 -1.94 0.06 0.00 0.00 0.00 0.00 36.38 33.77 2p2k s VAL 159 CO 0.50 0.55 1.09 -0.44 0.00 0.00 0.00 175.10 176.80 2p2k s SER 160 N 0.34 4.52 0.33 3.32 0.01 0.14 -4.89 113.70 117.46 2p2k s SER 160 Ca -0.16 1.79 0.08 0.00 1.31 0.00 0.00 55.95 58.97 2p2k s SER 160 Cb -0.17 -2.50 0.79 0.00 0.21 0.00 0.00 66.02 64.35 2p2k s SER 160 CO 0.08 -2.02 1.82 -1.28 0.41 0.00 0.00 173.24 172.24 2p2k h SER 161 N -1.12 0.72 0.00 2.44 0.87 -2.00 0.18 113.55 114.64 2p2k h SER 161 Ca -0.44 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2p2k h SER 161 Cb 1.23 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2p2k h SER 161 CO 0.52 0.30 0.00 -0.46 -0.53 0.00 0.00 176.83 176.66 2p2k n ASN 162 N -4.66 0.00 0.00 6.23 0.23 -1.26 -4.86 115.26 110.94 2p2k n ASN 162 Ca 0.21 -1.44 0.00 0.00 -0.53 0.00 0.00 54.58 52.82 2p2k n ASN 162 Cb 0.55 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.25 2p2k n ASN 162 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2p2k n GLY 163 N 0.74 1.09 3.70 4.83 0.00 0.65 -5.02 105.19 111.17 2p2k n GLY 163 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2p2k n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2p2k s SER 164 N -2.91 7.17 0.59 1.61 1.04 -1.25 -4.66 113.70 115.29 2p2k s SER 164 Ca 0.00 1.74 -0.18 0.00 0.48 0.00 0.00 55.95 57.99 2p2k s SER 164 Cb 0.00 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 2p2k s SER 164 CO 0.00 -0.47 1.14 -2.16 0.98 0.00 0.00 173.24 172.73 2p2k s PRO 165 N 1.76 3.09 0.08 4.02 0.04 -1.26 0.23 135.00 142.96 2p2k s PRO 165 Ca 0.54 1.58 0.01 0.00 0.04 0.00 0.00 61.00 63.16 2p2k s PRO 165 Cb -0.23 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 2p2k s PRO 165 CO 0.23 -1.05 0.20 -0.65 0.04 0.00 0.00 177.00 175.77 2p2k s GLN 166 N -3.56 3.33 0.97 4.56 -0.21 0.55 -4.78 119.66 120.53 2p2k s GLN 166 Ca 0.72 -0.52 -0.15 0.00 0.02 0.00 0.00 55.36 55.42 2p2k s GLN 166 Cb -0.24 -2.96 0.19 0.00 1.00 0.00 0.00 33.01 31.00 2p2k s GLN 166 CO 0.33 0.58 1.24 0.20 -2.12 0.00 0.00 175.29 175.52 2p2k s GLY 167 N -2.63 1.69 -1.51 3.09 0.00 -1.26 -4.31 107.32 102.38 2p2k s GLY 167 Ca 0.34 -0.98 -0.09 0.00 0.00 0.00 0.00 44.72 43.98 2p2k s GLY 167 CO 0.27 -0.26 0.71 1.44 0.00 0.00 0.00 173.10 175.26 2p2k n SER 168 N -3.88 -2.49 -4.35 1.64 7.64 0.72 -4.84 113.62 108.06 2p2k n SER 168 Ca 0.13 -0.92 -0.31 0.00 1.01 0.00 0.00 58.87 58.78 2p2k n SER 168 Cb 0.60 -3.33 -0.15 0.00 -1.01 0.00 0.00 64.21 60.32 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 -3.78 3.23 -0.05 6.43 0.15 -1.14 -4.94 113.70 113.59 2p2k s SER 169 Ca 0.39 -0.53 -0.05 0.00 0.70 0.00 0.00 55.95 56.46 2p2k s SER 169 Cb -0.21 -0.35 0.02 0.00 -1.71 0.00 0.00 66.02 63.77 2p2k s SER 169 CO 0.87 0.28 0.14 0.54 1.20 0.00 0.00 173.24 176.27 2p2k s VAL 170 N -0.77 -0.00 0.06 4.45 0.11 -1.26 -0.35 120.40 122.64 2p2k s VAL 170 Ca 0.12 0.02 -0.25 0.00 -2.93 0.00 0.00 61.98 58.93 2p2k s VAL 170 Cb -0.10 -0.20 0.06 0.00 -1.53 0.00 0.00 36.38 34.61 2p2k s VAL 170 CO 0.02 0.01 0.59 -0.83 -3.33 0.00 0.00 175.10 171.55 2p2k s GLY 171 N 0.17 -0.53 0.05 6.54 0.00 -0.88 0.49 107.32 113.16 2p2k s GLY 171 Ca -0.01 0.74 -0.00 0.00 0.00 0.00 0.00 44.72 45.45 2p2k s GLY 171 CO -0.00 0.41 -0.04 0.50 0.00 0.00 0.00 173.10 173.97 2p2k s ARG 172 N -2.61 0.58 -0.08 2.90 0.52 -0.68 -1.40 118.95 118.18 2p2k s ARG 172 Ca -0.04 -1.10 0.02 0.00 -0.52 0.00 0.00 55.73 54.08 2p2k s ARG 172 Cb -0.01 0.12 0.01 0.00 0.52 0.00 0.00 34.95 35.60 2p2k s ARG 172 CO -0.03 -0.08 -0.13 0.00 0.02 0.00 0.00 175.30 175.08 2p2k s ALA 173 N -3.33 1.41 0.05 2.13 0.00 -0.03 0.32 121.76 122.31 2p2k s ALA 173 Ca 0.03 -0.52 0.08 0.00 0.00 0.00 0.00 51.96 51.54 2p2k s ALA 173 Cb 0.04 -0.66 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 2p2k s ALA 173 CO -0.07 0.04 -0.20 -0.51 0.00 0.00 0.00 175.76 175.02 2p2k s LEU 174 N 0.80 2.51 0.42 0.00 1.02 -0.12 -0.33 118.68 122.98 2p2k s LEU 174 Ca -0.12 -0.48 -0.26 0.00 0.02 0.00 0.00 54.13 53.30 2p2k s LEU 174 Cb -0.15 -1.46 -0.08 0.00 0.02 0.00 0.00 46.19 44.51 2p2k s LEU 174 CO 0.02 0.25 1.33 0.12 0.02 0.00 0.00 176.35 178.09 2p2k s PHE 175 N -0.92 2.71 0.14 0.29 5.36 -0.23 -0.05 117.98 125.28 2p2k s PHE 175 Ca 0.14 1.38 -0.15 0.00 -0.96 0.00 0.00 56.93 57.34 2p2k s PHE 175 Cb -0.10 -3.72 0.00 0.00 -0.34 0.00 0.00 43.02 38.85 2p2k s PHE 175 CO 0.05 -2.30 1.66 -0.92 -1.46 0.00 0.00 175.22 172.25 2p2k h TYR 176 N 2.51 0.68 -3.85 10.12 5.03 -0.35 -3.43 116.97 127.68 2p2k h TYR 176 Ca -0.50 -0.07 -0.49 0.00 2.58 0.00 0.00 58.73 60.26 2p2k h TYR 176 Cb 1.25 -0.20 -0.00 0.00 1.55 0.00 0.00 36.73 39.34 2p2k h TYR 176 CO 0.52 0.62 0.40 0.00 -1.32 0.00 0.00 178.16 178.38 2p2k s ALA 177 N -5.42 3.27 0.55 1.82 0.00 -1.26 -4.98 121.76 115.74 2p2k s ALA 177 Ca -0.13 0.70 -0.21 0.00 0.00 0.00 0.00 51.96 52.32 2p2k s ALA 177 Cb 0.10 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 2p2k s ALA 177 CO 0.77 -0.01 1.29 -2.30 0.00 0.00 0.00 175.76 175.51 2p2k n PRO 178 N 0.82 1.54 -5.03 0.00 -0.02 -1.26 -4.77 135.00 126.28 2p2k n PRO 178 Ca 0.01 0.57 -0.32 0.00 -2.02 0.00 0.00 63.50 61.74 2p2k n PRO 178 Cb 0.48 -2.50 -0.14 0.00 -0.02 0.00 0.00 33.50 31.31 2p2k n PRO 178 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2p2k s VAL 179 N -1.32 2.68 -0.79 -1.45 1.01 0.18 -4.92 120.40 115.80 2p2k s VAL 179 Ca 0.73 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.68 2p2k s VAL 179 Cb -0.42 -2.03 0.14 0.00 0.00 0.00 0.00 36.38 34.07 2p2k s VAL 179 CO 0.49 0.58 0.90 -2.28 0.00 0.00 0.00 175.10 174.78 2p2k s HIS 180 N -0.47 3.22 -0.10 5.22 2.46 -1.26 -0.67 115.29 123.69 2p2k s HIS 180 Ca 0.06 -1.37 0.14 0.00 0.47 0.00 0.00 55.06 54.36 2p2k s HIS 180 Cb -0.12 -4.08 -0.04 0.00 -0.13 0.00 0.00 32.58 28.21 2p2k s HIS 180 CO 0.01 -1.31 1.25 0.97 -2.47 0.00 0.00 174.74 173.19 2p2k h ILE 181 N 5.60 0.94 -3.79 0.89 6.09 -1.30 -3.46 117.51 122.47 2p2k h ILE 181 Ca -0.02 -2.40 -0.09 0.00 -1.37 0.00 0.00 64.86 60.98 2p2k h ILE 181 Cb 1.05 2.41 -0.13 0.00 0.47 0.00 0.00 36.82 40.63 2p2k h ILE 181 CO 1.02 0.53 -0.30 -1.66 -3.07 0.00 0.00 178.15 174.67 2p2k s TRP 182 N -2.89 0.24 -0.17 2.19 1.48 -1.21 -4.72 118.94 113.86 2p2k s TRP 182 Ca 0.02 -0.62 -0.09 0.00 -1.06 0.00 0.00 56.10 54.34 2p2k s TRP 182 Cb 0.08 -0.01 0.06 0.00 -1.16 0.00 0.00 33.47 32.44 2p2k s TRP 182 CO 0.78 -0.67 0.40 -2.00 -4.06 0.00 0.00 176.95 171.40 2p2k s GLU 183 N -3.91 0.39 0.30 3.25 -6.30 -1.26 -4.79 118.70 106.38 2p2k s GLU 183 Ca 0.11 0.76 0.06 0.00 -2.50 0.00 0.00 54.97 53.40 2p2k s GLU 183 Cb 0.03 -0.02 0.80 0.00 0.00 0.00 0.00 34.13 34.94 2p2k s GLU 183 CO -0.05 -0.15 1.69 0.77 0.02 0.00 0.00 175.26 177.54 2p2k h SER 184 N 7.05 0.34 -0.28 -1.70 0.02 -2.01 0.12 113.55 117.09 2p2k h SER 184 Ca -0.36 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2p2k h SER 184 Cb 1.18 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2p2k h SER 184 CO 0.30 -0.03 0.00 -1.54 -1.14 0.00 0.00 176.83 174.41 2p2k n SER 185 N -5.06 2.20 -4.72 3.07 3.41 -1.26 -4.91 113.62 106.35 2p2k n SER 185 Ca 0.24 -1.84 -0.42 0.00 -0.26 0.00 0.00 58.87 56.59 2p2k n SER 185 Cb 0.72 -0.18 -0.04 0.00 -0.26 0.00 0.00 64.21 64.45 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 -1.63 3.27 0.11 7.33 0.00 0.40 -4.86 121.76 126.37 2p2k s ALA 186 Ca 0.33 0.66 0.03 0.00 0.00 0.00 0.00 51.96 52.98 2p2k s ALA 186 Cb 0.18 -3.35 -0.22 0.00 0.00 0.00 0.00 23.12 19.73 2p2k s ALA 186 CO 0.26 -0.22 1.25 -0.39 0.00 0.00 0.00 175.76 176.65 2p2k h VAL 187 N 4.36 1.64 -3.28 0.00 -1.51 -0.69 -3.43 116.25 113.34 2p2k h VAL 187 Ca -0.42 -3.27 -0.43 0.00 -1.23 0.00 0.00 66.70 61.35 2p2k h VAL 187 Cb 1.21 2.85 -0.38 0.00 -2.13 0.00 0.00 31.29 32.85 2p2k h VAL 187 CO 0.75 0.94 -0.76 -0.69 -1.23 0.00 0.00 177.57 176.58 2p2k s VAL 188 N -2.73 0.34 -0.23 7.19 1.01 -1.00 -4.73 120.40 120.26 2p2k s VAL 188 Ca -0.01 0.13 -0.05 0.00 0.00 0.00 0.00 61.98 62.05 2p2k s VAL 188 Cb 0.09 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 2p2k s VAL 188 CO 0.84 0.25 0.01 0.00 0.00 0.00 0.00 175.10 176.19 2p2k s ALA 189 N 1.89 2.97 0.04 5.51 0.00 -1.26 -0.17 121.76 130.74 2p2k s ALA 189 Ca 0.04 -1.13 0.05 0.00 0.00 0.00 0.00 51.96 50.91 2p2k s ALA 189 Cb -0.12 -1.86 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 2p2k s ALA 189 CO -0.05 -0.41 -0.13 -1.54 0.00 0.00 0.00 175.76 173.63 2p2k s SER 190 N 1.46 1.58 0.07 0.00 1.04 -0.14 0.12 113.70 117.83 2p2k s SER 190 Ca 0.05 -0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.05 2p2k s SER 190 Cb -0.15 -0.10 -0.03 0.00 0.10 0.00 0.00 66.02 65.85 2p2k s SER 190 CO 0.00 0.02 -0.07 0.72 0.98 0.00 0.00 173.24 174.89 2p2k s PHE 191 N -0.86 0.77 0.05 5.02 -0.12 -0.45 -0.15 117.98 122.25 2p2k s PHE 191 Ca 0.01 -0.66 0.01 0.00 -0.05 0.00 0.00 56.93 56.23 2p2k s PHE 191 Cb -0.08 -0.45 -0.03 0.00 -0.63 0.00 0.00 43.02 41.83 2p2k s PHE 191 CO 0.01 -0.11 -0.06 0.16 -0.05 0.00 0.00 175.22 175.18 2p2k s ASP 192 N -2.17 0.73 -0.01 1.98 -4.77 0.14 -1.37 116.67 111.20 2p2k s ASP 192 Ca -0.01 -0.74 -0.05 0.00 -3.30 0.00 0.00 52.55 48.45 2p2k s ASP 192 Cb -0.04 0.10 0.00 0.00 -1.09 0.00 0.00 42.92 41.89 2p2k s ASP 192 CO -0.02 -0.37 0.09 0.00 0.70 0.00 0.00 175.17 175.58 2p2k s ALA 193 N -2.46 -0.21 -0.01 2.11 0.00 0.39 -0.85 121.76 120.73 2p2k s ALA 193 Ca -0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 51.96 51.87 2p2k s ALA 193 Cb -0.03 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.11 2p2k s ALA 193 CO -0.03 -0.14 0.01 0.99 0.00 0.00 0.00 175.76 176.59 2p2k s THR 194 N -0.87 -0.01 0.03 0.00 2.01 -0.34 0.50 115.64 116.96 2p2k s THR 194 Ca -0.10 0.02 -0.08 0.00 0.31 0.00 0.00 61.69 61.84 2p2k s THR 194 Cb -0.06 -0.03 -0.00 0.00 0.01 0.00 0.00 72.50 72.42 2p2k s THR 194 CO 0.01 0.01 0.16 0.72 -0.69 0.00 0.00 174.62 174.82 2p2k s PHE 195 N 0.10 0.09 0.13 4.92 -0.71 -0.38 -0.08 117.98 122.05 2p2k s PHE 195 Ca -0.01 -0.30 0.09 0.00 -1.04 0.00 0.00 56.93 55.67 2p2k s PHE 195 Cb -0.01 -0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 2p2k s PHE 195 CO -0.00 -0.38 -0.15 0.95 -1.34 0.00 0.00 175.22 174.29 2p2k s THR 196 N -2.30 2.98 0.08 -4.49 -4.23 -0.59 -0.26 115.64 106.83 2p2k s THR 196 Ca -0.07 -1.51 -0.10 0.00 -1.18 0.00 0.00 61.69 58.83 2p2k s THR 196 Cb -0.03 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.43 2p2k s THR 196 CO -0.03 0.06 0.22 0.72 -0.54 0.00 0.00 174.62 175.06 2p2k s PHE 197 N -1.27 0.08 -0.25 3.99 -0.12 -0.24 -1.03 117.98 119.13 2p2k s PHE 197 Ca 0.20 -0.44 -0.02 0.00 -0.05 0.00 0.00 56.93 56.62 2p2k s PHE 197 Cb -0.10 -0.01 0.08 0.00 -0.63 0.00 0.00 43.02 42.36 2p2k s PHE 197 CO 0.12 -0.54 0.06 -1.17 -0.05 0.00 0.00 175.22 173.63 2p2k s LEU 198 N -2.69 1.70 -0.30 -1.99 0.20 0.52 -0.80 118.68 115.32 2p2k s LEU 198 Ca 0.03 -1.21 -0.10 0.00 0.69 0.00 0.00 54.13 53.53 2p2k s LEU 198 Cb 0.03 -0.75 -0.02 0.00 -0.43 0.00 0.00 46.19 45.03 2p2k s LEU 198 CO -0.10 -0.35 0.17 -0.63 -0.29 0.00 0.00 176.35 175.15 2p2k s ILE 199 N 1.73 4.88 -0.06 6.68 1.01 -1.26 -2.45 121.20 131.74 2p2k s ILE 199 Ca 0.03 -0.22 0.04 0.00 0.00 0.00 0.00 60.65 60.51 2p2k s ILE 199 Cb -0.17 -3.43 -0.00 0.00 0.01 0.00 0.00 42.46 38.86 2p2k s ILE 199 CO -0.16 0.12 -0.19 -0.75 0.00 0.00 0.00 174.94 173.96 2p2k s LYS 200 N 1.67 2.08 -0.23 2.79 2.20 -1.24 -0.09 119.74 126.92 2p2k s LYS 200 Ca 0.06 -0.67 -0.02 0.00 -0.36 0.00 0.00 55.97 54.98 2p2k s LYS 200 Cb -0.17 -1.73 0.07 0.00 -1.51 0.00 0.00 37.83 34.49 2p2k s LYS 200 CO 0.08 0.22 0.05 0.45 -0.36 0.00 0.00 175.35 175.79 2p2k s SER 201 N 0.15 3.23 0.20 1.43 0.15 -1.26 -0.27 113.70 117.32 2p2k s SER 201 Ca -0.08 -1.04 0.00 0.00 0.70 0.00 0.00 55.95 55.54 2p2k s SER 201 Cb -0.13 -0.66 0.02 0.00 -1.71 0.00 0.00 66.02 63.54 2p2k s SER 201 CO 0.04 -0.34 0.68 -2.65 1.20 0.00 0.00 173.24 172.17 2p2k n PRO 202 N 5.00 0.01 0.00 5.44 -0.02 -1.26 -4.75 135.00 139.43 2p2k n PRO 202 Ca -0.07 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2p2k n PRO 202 Cb 0.46 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 2p2k n PRO 202 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2p2k n ASP 203 N -1.47 0.00 -4.55 2.55 3.85 -1.26 -5.12 116.55 110.55 2p2k n ASP 203 Ca -0.00 0.00 -0.41 0.00 -0.71 0.00 0.00 54.79 53.67 2p2k n ASP 203 Cb 0.63 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.37 2p2k n ASP 203 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 2p2k s SER 204 N 2.00 6.26 0.09 -1.12 0.15 -1.26 -4.09 113.70 115.73 2p2k s SER 204 Ca 0.00 -0.75 -0.11 0.00 0.70 0.00 0.00 55.95 55.79 2p2k s SER 204 Cb 0.00 -2.56 0.01 0.00 -1.71 0.00 0.00 66.02 61.76 2p2k s SER 204 CO 0.00 -1.74 0.26 -2.28 1.20 0.00 0.00 173.24 170.68 2p2k s HIS 205 N 5.51 0.01 0.46 3.44 2.46 -1.26 -5.01 115.29 120.90 2p2k s HIS 205 Ca 0.38 -0.35 -0.23 0.00 0.47 0.00 0.00 55.06 55.32 2p2k s HIS 205 Cb -0.06 0.05 -0.07 0.00 -0.13 0.00 0.00 32.58 32.37 2p2k s HIS 205 CO 0.08 -0.57 1.22 -1.25 -2.47 0.00 0.00 174.74 171.75 2p2k s PRO 206 N -3.55 3.72 0.18 2.88 0.04 -1.26 -3.29 135.00 133.72 2p2k s PRO 206 Ca 0.02 1.92 -0.22 0.00 0.04 0.00 0.00 61.00 62.76 2p2k s PRO 206 Cb 0.03 -2.47 0.06 0.00 0.04 0.00 0.00 34.50 32.16 2p2k s PRO 206 CO -0.10 -0.63 0.60 0.00 0.04 0.00 0.00 177.00 176.92 2p2k s ALA 207 N -1.44 -1.43 -0.02 8.56 0.00 -1.22 -4.33 121.76 121.87 2p2k s ALA 207 Ca 0.63 0.26 0.10 0.00 0.00 0.00 0.00 51.96 52.95 2p2k s ALA 207 Cb -0.32 0.87 -0.15 0.00 0.00 0.00 0.00 23.12 23.51 2p2k s ALA 207 CO 0.40 -0.81 0.20 -0.25 0.00 0.00 0.00 175.76 175.29 2p2k n ASP 208 N -0.38 2.75 0.00 0.00 8.00 0.16 -2.42 116.55 124.67 2p2k n ASP 208 Ca -0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.36 2p2k n ASP 208 Cb 0.64 1.37 0.00 0.00 -0.02 0.00 0.00 41.12 43.11 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 1.99 -0.14 3.05 0.44 0.00 -1.14 -1.78 105.19 107.61 2p2k n GLY 209 Ca -0.03 -1.76 -0.19 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.33 0.82 0.03 -0.61 1.01 -0.68 -2.21 121.20 118.22 2p2k s ILE 210 Ca 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.20 2p2k s ILE 210 Cb 0.00 -0.69 -0.02 0.00 0.01 0.00 0.00 42.46 41.76 2p2k s ILE 210 CO 0.00 0.19 -0.11 0.00 0.00 0.00 0.00 174.94 175.02 2p2k s ALA 211 N -0.31 0.92 -0.07 9.38 0.00 0.20 0.06 121.76 131.94 2p2k s ALA 211 Ca 0.03 -0.70 -0.17 0.00 0.00 0.00 0.00 51.96 51.12 2p2k s ALA 211 Cb -0.04 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 2p2k s ALA 211 CO -0.00 0.15 0.47 0.12 0.00 0.00 0.00 175.76 176.50 2p2k s PHE 212 N -0.82 3.60 0.12 0.00 5.36 -0.33 -0.05 117.98 125.86 2p2k s PHE 212 Ca -0.01 0.96 -0.00 0.00 -0.96 0.00 0.00 56.93 56.92 2p2k s PHE 212 Cb -0.07 -2.47 -0.04 0.00 -0.34 0.00 0.00 43.02 40.09 2p2k s PHE 212 CO 0.01 0.34 0.01 -0.59 -1.46 0.00 0.00 175.22 173.53 2p2k s PHE 213 N -0.02 0.85 -0.04 10.12 -0.71 0.12 -0.16 117.98 128.15 2p2k s PHE 213 Ca 0.26 -1.12 0.02 0.00 -1.04 0.00 0.00 56.93 55.05 2p2k s PHE 213 Cb -0.16 -0.51 0.01 0.00 -1.21 0.00 0.00 43.02 41.15 2p2k s PHE 213 CO 0.12 -0.38 -0.10 0.42 -1.34 0.00 0.00 175.22 173.94 2p2k s ILE 214 N -3.89 0.92 0.32 -4.49 1.01 0.67 -0.21 121.20 115.54 2p2k s ILE 214 Ca 0.19 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.42 2p2k s ILE 214 Cb 0.07 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.69 2p2k s ILE 214 CO -0.01 0.30 0.42 -0.55 0.00 0.00 0.00 174.94 175.09 2p2k s SER 215 N 0.45 0.88 0.71 3.58 0.15 0.70 -1.62 113.70 118.55 2p2k s SER 215 Ca -0.08 -1.47 -0.16 0.00 0.70 0.00 0.00 55.95 54.93 2p2k s SER 215 Cb -0.12 0.62 0.02 0.00 -1.71 0.00 0.00 66.02 64.83 2p2k s SER 215 CO 0.02 -1.22 1.22 -0.46 1.20 0.00 0.00 173.24 173.99 2p2k n ASN 216 N -1.25 1.51 -0.16 5.45 6.94 -1.22 -0.35 115.26 126.18 2p2k n ASN 216 Ca 0.02 0.73 0.12 0.00 -0.02 0.00 0.00 54.58 55.43 2p2k n ASN 216 Cb 0.62 -1.52 0.46 0.00 -2.36 0.00 0.00 39.78 36.98 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 -0.02 0.87 -0.39 1.53 2.04 -1.83 0.67 117.51 120.39 2p2k h ILE 217 Ca -0.49 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.19 2p2k h ILE 217 Cb 1.33 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 2p2k h ILE 217 CO 0.50 0.09 0.00 -0.90 0.00 0.00 0.00 178.15 177.84 2p2k n ASP 218 N -4.49 3.26 -4.62 1.72 5.75 -1.26 -4.66 116.55 112.25 2p2k n ASP 218 Ca 0.13 -2.33 -0.45 0.00 -0.01 0.00 0.00 54.79 52.13 2p2k n ASP 218 Cb 0.41 -0.48 -0.02 0.00 -1.03 0.00 0.00 41.12 40.00 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 0.56 1.84 -4.21 -1.12 2.88 0.23 -4.98 113.62 108.82 2p2k n SER 219 Ca 0.16 1.17 -0.17 0.00 -1.33 0.00 0.00 58.87 58.71 2p2k n SER 219 Cb 0.64 -1.34 -0.11 0.00 -0.75 0.00 0.00 64.21 62.65 2p2k n SER 219 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2p2k s SER 220 N -0.27 1.79 -0.05 -3.46 0.15 -1.26 -5.06 113.70 105.53 2p2k s SER 220 Ca 0.62 -0.80 -0.31 0.00 0.70 0.00 0.00 55.95 56.16 2p2k s SER 220 Cb -0.69 -0.04 -0.09 0.00 -1.71 0.00 0.00 66.02 63.49 2p2k s SER 220 CO 0.57 -0.18 2.01 -0.38 1.20 0.00 0.00 173.24 176.47 2p2k n ILE 221 N 0.58 0.63 -1.96 6.45 5.41 -1.26 -4.94 119.36 124.26 2p2k n ILE 221 Ca -0.16 -0.20 -0.40 0.00 1.00 0.00 0.00 62.75 62.99 2p2k n ILE 221 Cb 0.57 -2.25 -0.00 0.00 -0.71 0.00 0.00 39.64 37.25 2p2k n ILE 221 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2p2k s PRO 222 N 4.82 4.07 0.30 0.38 0.02 -1.26 -4.90 135.00 138.44 2p2k s PRO 222 Ca 0.93 2.33 -0.30 0.00 0.02 0.00 0.00 61.00 63.98 2p2k s PRO 222 Cb -0.49 -2.89 -0.11 0.00 0.02 0.00 0.00 34.50 31.03 2p2k s PRO 222 CO 0.43 -0.47 1.60 0.43 -0.33 0.00 0.00 177.00 178.67 2p2k n SER 223 N 0.36 3.93 -0.02 2.53 7.64 -1.26 -1.74 113.62 125.05 2p2k n SER 223 Ca 0.02 1.15 -0.00 0.00 1.01 0.00 0.00 58.87 61.05 2p2k n SER 223 Cb 0.42 -1.61 -0.00 0.00 -1.01 0.00 0.00 64.21 62.01 2p2k n SER 223 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2p2k n GLY 224 N 2.00 0.46 0.92 0.23 0.00 -1.26 -4.85 105.19 102.69 2p2k n GLY 224 Ca 0.08 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 45.99 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 0.10 2.40 -3.69 1.61 3.41 -0.71 -4.82 113.62 111.90 2p2k n SER 225 Ca -0.00 -2.28 -0.30 0.00 -0.26 0.00 0.00 58.87 56.03 2p2k n SER 225 Cb 0.06 -0.56 0.28 0.00 -0.26 0.00 0.00 64.21 63.74 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 -1.46 1.39 0.00 6.66 -4.23 -1.26 0.04 115.64 116.77 2p2k s THR 226 Ca 0.15 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.66 2p2k s THR 226 Cb 0.12 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.93 2p2k s THR 226 CO 0.04 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 2p2k n GLY 227 N 1.43 2.32 0.00 3.99 0.00 0.45 -3.15 105.19 110.23 2p2k n GLY 227 Ca 0.10 -0.42 0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 0.12 0.00 1.61 1.85 -1.26 -1.62 116.66 130.69 2p2k n ARG 228 Ca 0.00 0.15 0.13 0.00 -1.00 0.00 0.00 57.85 57.13 2p2k n ARG 228 Cb 0.00 -1.50 0.34 0.00 -1.05 0.00 0.00 32.46 30.25 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 -1.40 0.71 -2.21 2.89 4.77 -1.19 -4.95 117.00 115.62 2p2k n LEU 229 Ca 0.06 -0.10 -0.20 0.00 -0.03 0.00 0.00 56.01 55.75 2p2k n LEU 229 Cb 0.18 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 2p2k n LEU 229 CO 0.16 0.15 -0.24 0.18 -1.33 0.00 0.00 177.39 176.31 2p2k n LEU 230 N -1.09 -1.75 -0.35 2.23 4.77 -0.64 -0.26 117.00 119.91 2p2k n LEU 230 Ca 0.09 0.12 -0.05 0.00 -0.03 0.00 0.00 56.01 56.15 2p2k n LEU 230 Cb 0.34 -2.82 -0.02 0.00 -2.33 0.00 0.00 43.42 38.59 2p2k n LEU 230 CO 0.30 -0.40 -0.04 0.61 -1.33 0.00 0.00 177.39 176.53 2p2k n GLY 231 N -0.84 0.60 0.04 -0.72 0.00 0.11 -4.00 105.19 100.37 2p2k n GLY 231 Ca -0.23 -0.14 -0.05 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.53 2.00 -4.30 0.99 4.32 0.65 -4.29 117.00 115.84 2p2k n LEU 232 Ca -0.05 -0.03 -0.26 0.00 -0.02 0.00 0.00 56.01 55.65 2p2k n LEU 232 Cb 0.36 -0.14 -0.14 0.00 -1.62 0.00 0.00 43.42 41.89 2p2k n LEU 232 CO 0.07 0.48 -0.53 -0.36 -1.22 0.00 0.00 177.39 175.82 2p2k s PHE 233 N -2.16 1.95 -0.87 -1.77 0.08 -1.01 -4.75 117.98 109.44 2p2k s PHE 233 Ca -0.08 -0.39 0.25 0.00 0.12 0.00 0.00 56.93 56.82 2p2k s PHE 233 Cb 0.02 -1.12 0.98 0.00 -0.57 0.00 0.00 43.02 42.34 2p2k s PHE 233 CO 0.21 0.17 1.78 -0.35 -0.10 0.00 0.00 175.22 176.93 2p2k n PRO 234 N 1.46 0.09 -3.84 0.24 -0.04 -1.26 -4.51 135.00 127.14 2p2k n PRO 234 Ca -0.18 0.15 -0.06 0.00 -0.04 0.00 0.00 63.50 63.37 2p2k n PRO 234 Cb 0.53 -1.62 0.02 0.00 -0.04 0.00 0.00 33.50 32.38 2p2k n PRO 234 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2p2k s ASP 235 N -3.54 -0.02 -0.11 3.54 1.47 -1.26 -4.89 116.67 111.85 2p2k s ASP 235 Ca 0.11 -0.86 0.18 0.00 1.18 0.00 0.00 52.55 53.16 2p2k s ASP 235 Cb 0.14 0.66 0.67 0.00 -0.34 0.00 0.00 42.92 44.06 2p2k s ASP 235 CO 0.48 -1.31 1.58 0.00 0.68 0.00 0.00 175.17 176.61 2p2k n ALA 236 N -0.60 2.99 0.10 2.11 0.00 -1.26 -4.70 120.51 119.15 2p2k n ALA 236 Ca -0.06 -1.62 0.01 0.00 0.00 0.00 0.00 53.44 51.77 2p2k n ALA 236 Cb 0.60 -0.94 0.05 0.00 0.00 0.00 0.00 19.45 19.16 2p2k n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59