#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 3.42 -0.25 0.00 1.01 -1.26 -5.02 116.67 114.57 2p2k s ASP 2 Ca 0.00 1.60 -0.08 0.00 0.71 0.00 0.00 52.55 54.78 2p2k s ASP 2 Cb 0.00 -2.27 -0.04 0.00 1.01 0.00 0.00 42.92 41.63 2p2k s ASP 2 CO 0.00 -2.69 0.10 -0.89 0.21 0.00 0.00 175.17 171.90 2p2k s THR 3 N -2.87 4.62 -0.12 -1.27 2.01 -1.26 -5.00 115.64 111.75 2p2k s THR 3 Ca 0.64 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.59 2p2k s THR 3 Cb -0.19 -3.16 -0.01 0.00 0.01 0.00 0.00 72.50 69.15 2p2k s THR 3 CO 0.57 0.33 -0.18 -0.63 -0.69 0.00 0.00 174.62 174.03 2p2k s ILE 4 N 1.48 2.58 -0.10 1.82 -1.09 -1.26 -3.11 121.20 121.52 2p2k s ILE 4 Ca 0.06 -0.83 0.03 0.00 -2.23 0.00 0.00 60.65 57.68 2p2k s ILE 4 Cb -0.15 -2.05 -0.01 0.00 -1.58 0.00 0.00 42.46 38.67 2p2k s ILE 4 CO 0.05 0.54 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.42 2p2k s VAL 5 N 0.38 2.54 0.01 2.92 1.01 0.30 0.06 120.40 127.62 2p2k s VAL 5 Ca -0.14 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 60.88 2p2k s VAL 5 Cb -0.17 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.21 2p2k s VAL 5 CO 0.07 0.55 0.20 0.00 0.00 0.00 0.00 175.10 175.92 2p2k s ALA 6 N 0.18 -0.45 -0.29 5.51 0.00 0.23 0.42 121.76 127.37 2p2k s ALA 6 Ca -0.11 -0.08 -0.07 0.00 0.00 0.00 0.00 51.96 51.70 2p2k s ALA 6 Cb -0.16 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.13 2p2k s ALA 6 CO 0.06 -0.28 0.08 0.08 0.00 0.00 0.00 175.76 175.70 2p2k s VAL 7 N -1.84 4.05 -0.13 0.00 1.01 -0.12 0.43 120.40 123.79 2p2k s VAL 7 Ca -0.11 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 2p2k s VAL 7 Cb -0.04 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 2p2k s VAL 7 CO 0.00 0.13 0.11 -1.83 0.00 0.00 0.00 175.10 173.51 2p2k s GLU 8 N 1.53 3.52 -0.58 2.72 -1.05 -0.58 -0.87 118.70 123.38 2p2k s GLU 8 Ca 0.03 -0.20 -0.11 0.00 -0.15 0.00 0.00 54.97 54.54 2p2k s GLU 8 Cb -0.17 -3.16 0.15 0.00 -0.44 0.00 0.00 34.13 30.51 2p2k s GLU 8 CO 0.03 0.66 0.48 -0.51 0.95 0.00 0.00 175.26 176.87 2p2k s LEU 9 N -0.71 5.98 -0.40 1.83 1.02 0.30 -0.61 118.68 126.10 2p2k s LEU 9 Ca 0.13 -2.16 -0.14 0.00 0.02 0.00 0.00 54.13 51.98 2p2k s LEU 9 Cb -0.12 -2.08 0.01 0.00 0.02 0.00 0.00 46.19 44.02 2p2k s LEU 9 CO 0.03 -0.67 0.28 -0.62 0.02 0.00 0.00 176.35 175.39 2p2k s ASP 10 N 2.56 6.08 0.11 2.29 -1.08 0.16 -1.20 116.67 125.58 2p2k s ASP 10 Ca 0.09 -0.82 0.24 0.00 -0.52 0.00 0.00 52.55 51.54 2p2k s ASP 10 Cb -0.23 -2.15 0.35 0.00 -1.46 0.00 0.00 42.92 39.43 2p2k s ASP 10 CO -0.02 -0.41 1.32 0.35 0.52 0.00 0.00 175.17 176.93 2p2k n THR 11 N 5.14 0.33 -3.98 1.71 -2.24 -0.71 -0.38 114.28 114.15 2p2k n THR 11 Ca -0.11 -0.26 -0.30 0.00 -2.27 0.00 0.00 64.05 61.11 2p2k n THR 11 Cb 0.47 -0.11 -0.16 0.00 -2.10 0.00 0.00 70.33 68.44 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 -3.16 2.21 -0.56 4.78 5.04 -1.23 -4.45 117.35 119.98 2p2k s TYR 12 Ca 0.06 -1.39 -0.27 0.00 -2.44 0.00 0.00 57.07 53.03 2p2k s TYR 12 Cb 0.14 -1.57 -0.02 0.00 0.35 0.00 0.00 41.96 40.86 2p2k s TYR 12 CO 0.72 -0.70 1.83 -2.14 -1.34 0.00 0.00 175.55 173.92 2p2k s PRO 13 N 1.47 2.77 -1.00 4.97 0.02 -1.26 -4.91 135.00 137.05 2p2k s PRO 13 Ca 0.01 0.73 -0.11 0.00 0.02 0.00 0.00 61.00 61.65 2p2k s PRO 13 Cb -0.15 -4.34 0.25 0.00 0.02 0.00 0.00 34.50 30.27 2p2k s PRO 13 CO -0.09 -2.56 0.99 -0.80 -0.33 0.00 0.00 177.00 174.22 2p2k s ASN 14 N 7.61 7.09 0.52 2.53 -0.87 -1.26 -4.86 114.94 125.69 2p2k s ASN 14 Ca 0.68 -3.20 0.32 0.00 -1.57 0.00 0.00 52.86 49.09 2p2k s ASN 14 Cb -0.14 -2.22 1.19 0.00 -0.02 0.00 0.00 41.25 40.06 2p2k s ASN 14 CO 0.23 -0.43 1.91 0.71 -2.57 0.00 0.00 177.10 176.96 2p2k h THR 15 N 4.17 0.00 0.00 1.60 1.35 -1.86 -1.77 112.91 116.40 2p2k h THR 15 Ca 0.16 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2p2k h THR 15 Cb 0.94 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 2p2k h THR 15 CO 0.92 0.00 0.00 -2.24 -0.25 0.00 0.00 175.52 173.95 2p2k h ASP 16 N 0.00 0.00 -0.09 5.36 -0.00 -1.89 -2.41 116.42 117.39 2p2k h ASP 16 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.03 57.00 2p2k h ASP 16 Cb 0.58 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.89 2p2k h ASP 16 CO 0.00 0.00 -0.23 2.30 -0.00 0.00 0.00 179.24 181.31 2p2k n ILE 17 N -2.48 2.19 -0.37 4.15 -5.35 -0.89 -4.97 119.36 111.65 2p2k n ILE 17 Ca 0.03 -2.76 0.00 0.00 -0.27 0.00 0.00 62.75 59.76 2p2k n ILE 17 Cb 0.35 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 37.99 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 -1.16 0.79 3.75 3.28 0.00 -0.91 -4.65 105.19 106.30 2p2k n GLY 18 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.16 5.13 0.96 1.61 1.01 -0.72 -4.88 116.67 117.61 2p2k s ASP 19 Ca 0.00 2.44 -0.12 0.00 0.71 0.00 0.00 52.55 55.57 2p2k s ASP 19 Cb 0.00 -2.60 0.16 0.00 1.01 0.00 0.00 42.92 41.49 2p2k s ASP 19 CO 0.00 -1.64 1.09 -2.16 0.21 0.00 0.00 175.17 172.68 2p2k s PRO 20 N -3.31 0.78 -0.53 8.23 0.04 -1.26 -4.20 135.00 134.74 2p2k s PRO 20 Ca 0.78 0.63 -0.04 0.00 0.04 0.00 0.00 61.00 62.42 2p2k s PRO 20 Cb -0.32 -1.77 0.11 0.00 0.04 0.00 0.00 34.50 32.56 2p2k s PRO 20 CO 0.34 -2.52 2.65 -1.71 0.04 0.00 0.00 177.00 175.80 2p2k n ASN 21 N -4.05 6.66 -3.58 6.66 5.15 -1.26 -4.65 115.26 120.19 2p2k n ASN 21 Ca 0.06 -3.31 -0.05 0.00 -0.60 0.00 0.00 54.58 50.68 2p2k n ASN 21 Cb 0.56 -1.21 -0.02 0.00 -0.53 0.00 0.00 39.78 38.59 2p2k n ASN 21 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 2p2k s TYR 22 N -2.09 -0.16 0.44 1.20 -0.85 -1.26 -5.02 117.35 109.60 2p2k s TYR 22 Ca 0.58 0.09 -0.25 0.00 -0.52 0.00 0.00 57.07 56.96 2p2k s TYR 22 Cb 0.39 0.52 -0.09 0.00 0.38 0.00 0.00 41.96 43.16 2p2k s TYR 22 CO -0.25 -0.28 1.32 -2.30 -1.52 0.00 0.00 175.55 172.51 2p2k n PRO 23 N -0.16 2.00 -3.57 -3.49 -0.02 -1.26 -4.48 135.00 124.02 2p2k n PRO 23 Ca -0.02 0.71 -0.12 0.00 -2.02 0.00 0.00 63.50 62.05 2p2k n PRO 23 Cb 0.59 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 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 -1.20 -0.35 -0.01 6.00 -3.43 0.49 -0.74 115.29 116.05 2p2k s HIS 24 Ca 0.62 0.19 -0.04 0.00 -0.80 0.00 0.00 55.06 55.02 2p2k s HIS 24 Cb -0.49 0.34 -0.04 0.00 -1.43 0.00 0.00 32.58 30.96 2p2k s HIS 24 CO 0.57 -0.70 0.21 0.96 -2.00 0.00 0.00 174.74 173.79 2p2k s ILE 25 N -3.26 5.39 0.09 -5.38 -4.36 -0.16 0.38 121.20 113.90 2p2k s ILE 25 Ca -0.01 -0.02 -0.07 0.00 -0.26 0.00 0.00 60.65 60.30 2p2k s ILE 25 Cb 0.00 -3.54 -0.01 0.00 1.25 0.00 0.00 42.46 40.16 2p2k s ILE 25 CO -0.08 0.35 0.16 -0.83 0.24 0.00 0.00 174.94 174.78 2p2k s GLY 26 N -1.81 0.24 -0.22 6.27 0.00 0.22 -0.95 107.32 111.07 2p2k s GLY 26 Ca 0.27 -0.79 -0.04 0.00 0.00 0.00 0.00 44.72 44.17 2p2k s GLY 26 CO 0.17 -0.92 -0.05 -0.42 0.00 0.00 0.00 173.10 171.88 2p2k s ILE 27 N -3.89 3.29 -0.28 0.90 -1.09 -0.12 -1.53 121.20 118.48 2p2k s ILE 27 Ca 0.08 -0.52 -0.07 0.00 -2.23 0.00 0.00 60.65 57.91 2p2k s ILE 27 Cb 0.05 -2.49 0.00 0.00 -1.58 0.00 0.00 42.46 38.44 2p2k s ILE 27 CO -0.09 0.43 0.07 -1.81 -1.23 0.00 0.00 174.94 172.31 2p2k s ASP 28 N 1.45 5.06 -0.44 3.58 1.01 0.17 0.68 116.67 128.18 2p2k s ASP 28 Ca 0.05 -0.60 -0.04 0.00 0.71 0.00 0.00 52.55 52.67 2p2k s ASP 28 Cb -0.14 -1.88 0.12 0.00 1.01 0.00 0.00 42.92 42.03 2p2k s ASP 28 CO -0.04 -0.15 0.25 -0.63 0.21 0.00 0.00 175.17 174.81 2p2k s ILE 29 N 1.52 3.52 -2.02 0.77 -1.09 -1.26 -0.60 121.20 122.03 2p2k s ILE 29 Ca 0.03 -2.06 0.00 0.00 -2.23 0.00 0.00 60.65 56.40 2p2k s ILE 29 Cb -0.17 -3.38 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 2p2k s ILE 29 CO 0.02 -0.72 0.00 0.29 -1.23 0.00 0.00 174.94 173.30 2p2k n LYS 30 N 4.59 -1.52 -3.63 2.79 5.02 0.11 -4.93 118.16 120.59 2p2k n LYS 30 Ca -0.03 1.13 -0.11 0.00 -2.02 0.00 0.00 58.31 57.28 2p2k n LYS 30 Cb 0.41 -5.58 -0.07 0.00 -0.02 0.00 0.00 35.03 29.77 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 -2.53 -0.54 0.37 4.39 0.15 -1.26 -4.89 113.70 109.39 2p2k s SER 31 Ca 0.00 1.04 0.27 0.00 0.70 0.00 0.00 55.95 57.96 2p2k s SER 31 Cb 0.00 1.06 1.24 0.00 -1.71 0.00 0.00 66.02 66.61 2p2k s SER 31 CO 0.00 -0.18 1.81 1.62 1.20 0.00 0.00 173.24 177.69 2p2k h VAL 32 N 3.71 0.00 -1.20 4.45 3.04 -1.83 -3.38 116.25 121.04 2p2k h VAL 32 Ca -0.28 -0.21 -0.62 0.00 -1.01 0.00 0.00 66.70 64.58 2p2k h VAL 32 Cb 1.17 0.96 -0.10 0.00 -2.01 0.00 0.00 31.29 31.30 2p2k h VAL 32 CO 0.09 0.00 1.53 -0.13 -1.01 0.00 0.00 177.57 178.06 2p2k s ARG 33 N -3.52 3.65 0.24 4.17 0.52 -1.26 -4.97 118.95 117.78 2p2k s ARG 33 Ca 0.01 -1.30 -0.27 0.00 -0.52 0.00 0.00 55.73 53.65 2p2k s ARG 33 Cb 0.09 -5.34 -0.17 0.00 0.52 0.00 0.00 34.95 30.05 2p2k s ARG 33 CO 0.38 -2.18 0.43 0.43 0.02 0.00 0.00 175.30 174.39 2p2k n SER 34 N 8.60 -1.56 0.15 0.23 7.64 -1.26 -4.77 113.62 122.64 2p2k n SER 34 Ca 0.34 1.06 0.04 0.00 1.01 0.00 0.00 58.87 61.33 2p2k n SER 34 Cb 0.50 -0.94 0.05 0.00 -1.01 0.00 0.00 64.21 62.81 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 0.87 0.00 -2.60 1.43 1.79 -0.09 -3.45 116.57 114.52 2p2k h LYS 35 Ca -0.30 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.07 2p2k h LYS 35 Cb 1.44 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.87 2p2k h LYS 35 CO 0.55 0.39 -0.12 0.15 -1.08 0.00 0.00 179.45 179.33 2p2k s LYS 36 N -3.01 0.69 0.19 3.15 -0.14 -1.24 -5.00 119.74 114.37 2p2k s LYS 36 Ca 0.04 0.34 0.01 0.00 -1.36 0.00 0.00 55.97 55.01 2p2k s LYS 36 Cb 0.07 0.32 -0.05 0.00 -1.68 0.00 0.00 37.83 36.50 2p2k s LYS 36 CO 0.74 -0.15 0.04 0.95 -0.76 0.00 0.00 175.35 176.17 2p2k s THR 37 N -0.47 0.52 -0.02 2.17 -4.23 -1.26 -0.94 115.64 111.41 2p2k s THR 37 Ca -0.06 -1.97 -0.02 0.00 -1.18 0.00 0.00 61.69 58.46 2p2k s THR 37 Cb -0.03 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.56 2p2k s THR 37 CO 0.03 -0.34 0.05 0.00 -0.54 0.00 0.00 174.62 173.82 2p2k s ALA 38 N -3.77 -0.11 0.34 3.99 0.00 -0.13 -4.94 121.76 117.14 2p2k s ALA 38 Ca 0.28 0.10 -0.29 0.00 0.00 0.00 0.00 51.96 52.05 2p2k s ALA 38 Cb 0.07 -0.07 -0.11 0.00 0.00 0.00 0.00 23.12 23.01 2p2k s ALA 38 CO 0.06 -0.03 1.53 0.21 0.00 0.00 0.00 175.76 177.54 2p2k s LYS 39 N -0.06 4.12 -0.09 0.00 2.20 -1.26 -0.99 119.74 123.66 2p2k s LYS 39 Ca -0.01 2.57 0.01 0.00 -0.36 0.00 0.00 55.97 58.17 2p2k s LYS 39 Cb -0.01 -3.00 0.02 0.00 -1.51 0.00 0.00 37.83 33.34 2p2k s LYS 39 CO 0.00 -0.57 -0.09 -0.46 -0.36 0.00 0.00 175.35 173.87 2p2k s TRP 40 N -0.59 1.37 -0.79 4.03 -0.00 0.08 -4.70 118.94 118.33 2p2k s TRP 40 Ca 0.58 -0.59 -0.25 0.00 -0.00 0.00 0.00 56.10 55.84 2p2k s TRP 40 Cb -0.47 -1.10 0.05 0.00 -0.00 0.00 0.00 33.47 31.95 2p2k s TRP 40 CO 0.56 -0.39 1.23 1.21 -0.00 0.00 0.00 176.95 179.55 2p2k s ASN 41 N 1.29 6.27 0.17 5.86 3.04 -1.26 -4.27 114.94 126.04 2p2k s ASN 41 Ca -0.03 -0.90 -0.30 0.00 0.04 0.00 0.00 52.86 51.66 2p2k s ASN 41 Cb -0.14 -2.52 -0.08 0.00 -1.54 0.00 0.00 41.25 36.97 2p2k s ASN 41 CO -0.03 -1.62 1.32 -0.32 -3.04 0.00 0.00 177.10 173.41 2p2k s MET 42 N 4.96 4.38 -0.44 0.43 -2.45 -1.26 -4.97 119.30 119.95 2p2k s MET 42 Ca 0.34 2.04 -0.07 0.00 -1.25 0.00 0.00 55.69 56.75 2p2k s MET 42 Cb -0.08 -3.22 0.10 0.00 1.25 0.00 0.00 34.83 32.89 2p2k s MET 42 CO 0.07 -0.29 0.28 -0.65 1.05 0.00 0.00 175.02 175.47 2p2k s GLN 43 N 0.24 2.39 -0.20 4.11 -0.21 -1.26 -5.04 119.66 119.69 2p2k s GLN 43 Ca 0.59 -1.69 -0.39 0.00 0.02 0.00 0.00 55.36 53.89 2p2k s GLN 43 Cb -0.36 -3.78 -0.15 0.00 1.00 0.00 0.00 33.01 29.71 2p2k s GLN 43 CO 0.36 -1.09 1.70 -1.71 -2.12 0.00 0.00 175.29 172.43 2p2k n ASN 44 N 4.83 2.40 0.00 5.90 2.85 -1.26 -1.47 115.26 128.50 2p2k n ASN 44 Ca -0.07 1.07 0.00 0.00 -0.11 0.00 0.00 54.58 55.47 2p2k n ASN 44 Cb 0.41 -1.17 0.00 0.00 1.24 0.00 0.00 39.78 40.26 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 3.97 0.77 3.93 8.20 0.00 0.06 -4.99 105.19 117.13 2p2k n GLY 45 Ca 0.25 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.14 3.52 -0.28 1.61 -0.14 -0.54 -4.96 119.74 118.81 2p2k s LYS 46 Ca 0.00 -0.31 -0.22 0.00 -1.36 0.00 0.00 55.97 54.08 2p2k s LYS 46 Cb 0.00 -2.75 -0.01 0.00 -1.68 0.00 0.00 37.83 33.39 2p2k s LYS 46 CO 0.00 0.28 0.70 0.08 -0.76 0.00 0.00 175.35 175.66 2p2k s VAL 47 N -2.07 4.89 0.34 3.17 1.01 -1.26 -4.26 120.40 122.22 2p2k s VAL 47 Ca 0.40 1.13 0.07 0.00 0.00 0.00 0.00 61.98 63.58 2p2k s VAL 47 Cb -0.10 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 2p2k s VAL 47 CO 0.32 -0.11 0.32 -0.83 0.00 0.00 0.00 175.10 174.79 2p2k s GLY 48 N 1.54 1.78 -0.06 4.51 0.00 0.03 -4.30 107.32 110.82 2p2k s GLY 48 Ca 0.29 -1.64 0.01 0.00 0.00 0.00 0.00 44.72 43.38 2p2k s GLY 48 CO 0.10 -1.56 -0.07 -1.59 0.00 0.00 0.00 173.10 169.98 2p2k s THR 49 N -2.30 0.77 -0.20 0.90 2.01 -0.02 -1.03 115.64 115.76 2p2k s THR 49 Ca 0.42 -0.26 -0.04 0.00 0.31 0.00 0.00 61.69 62.12 2p2k s THR 49 Cb -0.06 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.67 2p2k s THR 49 CO 0.27 0.28 -0.02 0.00 -0.69 0.00 0.00 174.62 174.46 2p2k s ALA 50 N 0.87 2.95 -0.16 7.40 0.00 0.93 -0.65 121.76 133.10 2p2k s ALA 50 Ca -0.11 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 50.79 2p2k s ALA 50 Cb -0.15 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.23 2p2k s ALA 50 CO 0.01 -0.22 -0.10 -1.01 0.00 0.00 0.00 175.76 174.45 2p2k s HIS 51 N 1.12 2.88 -0.11 0.00 3.76 0.13 -1.09 115.29 121.98 2p2k s HIS 51 Ca 0.02 -0.74 0.03 0.00 -0.15 0.00 0.00 55.06 54.23 2p2k s HIS 51 Cb -0.14 -1.94 -0.00 0.00 1.11 0.00 0.00 32.58 31.60 2p2k s HIS 51 CO 0.01 -0.32 -0.22 0.42 -0.85 0.00 0.00 174.74 173.78 2p2k s ILE 52 N 0.73 2.25 -0.07 0.60 1.09 0.13 -0.66 121.20 125.29 2p2k s ILE 52 Ca -0.04 -0.95 0.01 0.00 -1.10 0.00 0.00 60.65 58.57 2p2k s ILE 52 Cb -0.15 -1.88 0.02 0.00 -1.06 0.00 0.00 42.46 39.39 2p2k s ILE 52 CO 0.02 0.55 -0.08 -0.51 -0.10 0.00 0.00 174.94 174.82 2p2k s ILE 53 N 0.40 0.86 -0.22 2.92 -1.16 0.16 -0.60 121.20 123.57 2p2k s ILE 53 Ca -0.16 -0.29 -0.04 0.00 -0.51 0.00 0.00 60.65 59.65 2p2k s ILE 53 Cb -0.17 -0.84 -0.01 0.00 0.61 0.00 0.00 42.46 42.05 2p2k s ILE 53 CO 0.07 0.31 -0.04 -0.47 -2.81 0.00 0.00 174.94 172.00 2p2k s TYR 54 N 0.98 2.97 -0.57 3.50 5.04 0.52 0.13 117.35 129.91 2p2k s TYR 54 Ca -0.09 -0.94 -0.16 0.00 -2.44 0.00 0.00 57.07 53.43 2p2k s TYR 54 Cb -0.15 -2.11 0.13 0.00 0.35 0.00 0.00 41.96 40.18 2p2k s TYR 54 CO 0.00 -0.55 0.56 1.21 -1.34 0.00 0.00 175.55 175.44 2p2k s ASN 55 N 1.48 6.23 0.46 4.32 2.47 -0.26 -1.88 114.94 127.76 2p2k s ASN 55 Ca 0.06 -1.78 0.16 0.00 0.42 0.00 0.00 52.86 51.71 2p2k s ASN 55 Cb -0.14 -2.23 1.12 0.00 -1.45 0.00 0.00 41.25 38.55 2p2k s ASN 55 CO -0.03 -0.89 2.01 -1.28 -3.72 0.00 0.00 177.10 173.19 2p2k h SER 56 N 8.87 0.25 0.08 -4.21 0.87 -1.84 0.36 113.55 117.93 2p2k h SER 56 Ca -0.27 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.19 2p2k h SER 56 Cb 1.09 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 63.01 2p2k h SER 56 CO 1.03 0.16 -0.48 0.58 -0.53 0.00 0.00 176.83 177.59 2p2k h VAL 57 N 0.29 1.62 -0.00 2.23 2.07 -1.91 -3.24 116.25 117.30 2p2k h VAL 57 Ca 0.23 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.30 2p2k h VAL 57 Cb 0.52 3.26 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 2p2k h VAL 57 CO -0.05 0.66 -0.03 0.61 0.02 0.00 0.00 177.57 178.79 2p2k n GLY 58 N 1.64 -1.17 3.72 2.17 0.00 -1.19 -4.92 105.19 105.44 2p2k n GLY 58 Ca -0.13 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.17 -1.08 -3.71 1.61 5.02 0.12 -4.88 118.16 114.07 2p2k n LYS 59 Ca 0.16 0.49 -0.12 0.00 -2.02 0.00 0.00 58.31 56.81 2p2k n LYS 59 Cb 0.23 -3.74 -0.13 0.00 -0.02 0.00 0.00 35.03 31.38 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 -5.92 0.21 -0.21 1.97 3.52 -0.52 -1.46 118.95 116.54 2p2k s ARG 60 Ca 0.40 0.63 -0.07 0.00 -0.13 0.00 0.00 55.73 56.56 2p2k s ARG 60 Cb -0.16 -0.08 -0.03 0.00 -1.56 0.00 0.00 34.95 33.12 2p2k s ARG 60 CO 0.88 -0.20 0.05 -1.17 -0.81 0.00 0.00 175.30 174.05 2p2k s LEU 61 N 1.62 3.52 0.08 -0.88 2.96 -0.21 -1.10 118.68 124.68 2p2k s LEU 61 Ca -0.06 -0.11 0.06 0.00 -0.22 0.00 0.00 54.13 53.80 2p2k s LEU 61 Cb -0.11 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 2p2k s LEU 61 CO -0.09 0.06 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.40 2p2k s SER 62 N 1.05 1.86 -0.01 3.68 0.01 0.12 0.18 113.70 120.59 2p2k s SER 62 Ca 0.04 -0.65 -0.03 0.00 1.31 0.00 0.00 55.95 56.62 2p2k s SER 62 Cb -0.14 -0.07 -0.00 0.00 0.21 0.00 0.00 66.02 66.02 2p2k s SER 62 CO 0.03 -0.06 0.07 0.00 0.41 0.00 0.00 173.24 173.69 2p2k s ALA 63 N -1.33 -0.15 -0.02 1.44 0.00 0.29 0.40 121.76 122.39 2p2k s ALA 63 Ca 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 51.88 2p2k s ALA 63 Cb -0.10 0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.04 2p2k s ALA 63 CO 0.03 -0.12 -0.11 0.08 0.00 0.00 0.00 175.76 175.64 2p2k s VAL 64 N -0.81 0.88 -0.13 0.00 1.01 0.17 -0.82 120.40 120.70 2p2k s VAL 64 Ca -0.09 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.45 2p2k s VAL 64 Cb -0.05 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.59 2p2k s VAL 64 CO 0.00 0.26 -0.17 -0.69 0.00 0.00 0.00 175.10 174.50 2p2k s VAL 65 N -0.09 1.69 0.22 2.92 1.01 -0.28 0.22 120.40 126.09 2p2k s VAL 65 Ca 0.01 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2p2k s VAL 65 Cb -0.06 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 2p2k s VAL 65 CO 0.00 0.48 0.03 -0.94 0.00 0.00 0.00 175.10 174.67 2p2k s SER 66 N 1.11 1.46 0.14 3.32 1.04 0.18 -0.53 113.70 120.42 2p2k s SER 66 Ca -0.03 -1.25 0.04 0.00 0.48 0.00 0.00 55.95 55.19 2p2k s SER 66 Cb -0.14 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 2p2k s SER 66 CO -0.05 -0.59 -0.10 -0.31 0.98 0.00 0.00 173.24 173.16 2p2k s TYR 67 N -3.59 1.23 0.48 5.02 2.02 -0.71 -0.84 117.35 120.95 2p2k s TYR 67 Ca 0.30 -0.75 0.21 0.00 -0.37 0.00 0.00 57.07 56.46 2p2k s TYR 67 Cb 0.06 -0.63 1.24 0.00 -0.40 0.00 0.00 41.96 42.23 2p2k s TYR 67 CO 0.09 0.06 1.94 -1.35 -1.57 0.00 0.00 175.55 174.72 2p2k h PRO 68 N 2.89 0.20 0.00 -1.71 0.11 -1.90 0.66 132.00 132.26 2p2k h PRO 68 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2p2k h PRO 68 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2p2k h PRO 68 CO 0.62 0.13 0.00 0.27 -0.21 0.00 0.00 178.00 178.81 2p2k n ASN 69 N -4.42 0.00 0.00 -2.05 2.04 -1.26 -4.86 115.26 104.71 2p2k n ASN 69 Ca 0.14 0.35 0.00 0.00 -0.44 0.00 0.00 54.58 54.63 2p2k n ASN 69 Cb 0.63 -0.42 0.00 0.00 -2.53 0.00 0.00 39.78 37.46 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 -0.28 2.66 3.69 4.83 0.00 0.23 -5.06 105.19 111.27 2p2k n GLY 70 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2p2k n GLY 70 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2p2k n ASP 71 N 0.00 4.03 -4.01 1.61 10.43 -1.25 -4.78 116.55 122.56 2p2k n ASP 71 Ca 0.00 1.00 -0.08 0.00 2.57 0.00 0.00 54.79 58.28 2p2k n ASP 71 Cb 0.00 -1.55 -0.10 0.00 1.84 0.00 0.00 41.12 41.31 2p2k n ASP 71 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 2p2k s SER 72 N 2.49 0.34 0.02 -2.24 1.04 -1.26 -1.75 113.70 112.35 2p2k s SER 72 Ca 0.81 -0.75 0.07 0.00 0.48 0.00 0.00 55.95 56.56 2p2k s SER 72 Cb -0.49 0.19 -0.02 0.00 0.10 0.00 0.00 66.02 65.80 2p2k s SER 72 CO 0.37 -0.51 -0.20 0.00 0.98 0.00 0.00 173.24 173.88 2p2k s ALA 73 N -2.99 1.68 0.02 5.32 0.00 0.31 -4.97 121.76 121.14 2p2k s ALA 73 Ca -0.02 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.00 2p2k s ALA 73 Cb 0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 2p2k s ALA 73 CO -0.06 0.39 -0.10 0.99 0.00 0.00 0.00 175.76 176.98 2p2k s THR 74 N -0.69 0.73 -0.05 0.00 2.01 -1.26 -1.13 115.64 115.26 2p2k s THR 74 Ca 0.07 -0.69 -0.08 0.00 0.31 0.00 0.00 61.69 61.31 2p2k s THR 74 Cb -0.08 -0.67 0.01 0.00 0.01 0.00 0.00 72.50 71.77 2p2k s THR 74 CO 0.01 -0.00 0.19 0.54 -0.69 0.00 0.00 174.62 174.67 2p2k s VAL 75 N -0.64 0.03 0.09 3.82 0.11 0.00 -4.55 120.40 119.26 2p2k s VAL 75 Ca -0.00 -0.23 0.05 0.00 -2.93 0.00 0.00 61.98 58.86 2p2k s VAL 75 Cb -0.06 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.41 2p2k s VAL 75 CO 0.00 -0.13 -0.12 -0.55 -3.33 0.00 0.00 175.10 170.97 2p2k s SER 76 N -0.43 1.62 -0.11 3.54 0.15 -1.26 -0.55 113.70 116.66 2p2k s SER 76 Ca -0.05 -0.72 -0.07 0.00 0.70 0.00 0.00 55.95 55.80 2p2k s SER 76 Cb -0.03 -0.03 0.04 0.00 -1.71 0.00 0.00 66.02 64.29 2p2k s SER 76 CO 0.01 -0.16 0.28 -0.47 1.20 0.00 0.00 173.24 174.09 2p2k s TYR 77 N -1.86 -0.35 -0.21 3.44 5.04 0.13 -4.88 117.35 118.66 2p2k s TYR 77 Ca 0.02 0.82 -0.28 0.00 -2.44 0.00 0.00 57.07 55.19 2p2k s TYR 77 Cb -0.07 0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.35 2p2k s TYR 77 CO 0.02 -0.21 1.01 -0.51 -1.34 0.00 0.00 175.55 174.51 2p2k s ASP 78 N 0.82 7.08 -0.20 4.32 1.01 -1.26 -1.04 116.67 127.41 2p2k s ASP 78 Ca -0.06 1.36 -0.27 0.00 0.71 0.00 0.00 52.55 54.29 2p2k s ASP 78 Cb -0.07 -2.53 0.09 0.00 1.01 0.00 0.00 42.92 41.43 2p2k s ASP 78 CO -0.05 -0.62 0.84 0.54 0.21 0.00 0.00 175.17 176.09 2p2k s VAL 79 N 2.97 0.00 -0.46 -1.27 0.11 -0.53 -4.98 120.40 116.25 2p2k s VAL 79 Ca 0.43 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.39 2p2k s VAL 79 Cb -0.15 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 33.80 2p2k s VAL 79 CO 0.08 0.00 0.32 -0.62 -3.33 0.00 0.00 175.10 171.55 2p2k s ASP 80 N -0.32 5.73 0.43 3.54 -1.08 -1.26 -3.80 116.67 119.90 2p2k s ASP 80 Ca -0.02 -1.73 0.30 0.00 -0.52 0.00 0.00 52.55 50.58 2p2k s ASP 80 Cb -0.03 -2.02 1.42 0.00 -1.46 0.00 0.00 42.92 40.83 2p2k s ASP 80 CO 0.02 -0.64 1.90 -0.07 0.52 0.00 0.00 175.17 176.89 2p2k h LEU 81 N 8.47 0.00 -1.29 -1.34 3.38 -1.96 0.77 115.31 123.35 2p2k h LEU 81 Ca -0.23 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.88 2p2k h LEU 81 Cb 1.08 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.76 2p2k h LEU 81 CO 0.83 0.00 0.57 0.44 0.09 0.00 0.00 178.44 180.37 2p2k h ASP 82 N 0.00 0.66 -0.02 -0.43 5.19 -1.92 0.61 116.42 120.51 2p2k h ASP 82 Ca 0.00 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 2p2k h ASP 82 Cb 0.23 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.65 2p2k h ASP 82 CO 0.00 0.34 0.00 0.59 -3.12 0.00 0.00 179.24 177.05 2p2k n ASN 83 N -4.56 0.98 0.06 6.45 5.03 0.26 -4.46 115.26 119.02 2p2k n ASN 83 Ca 0.17 -1.35 0.00 0.00 0.87 0.00 0.00 54.58 54.27 2p2k n ASN 83 Cb 0.45 -0.01 0.00 0.00 -1.02 0.00 0.00 39.78 39.21 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 -0.22 1.02 -2.80 2.41 0.31 -0.52 -5.08 118.33 113.45 2p2k n VAL 84 Ca 0.20 0.34 -0.29 0.00 -0.01 0.00 0.00 64.34 64.58 2p2k n VAL 84 Cb 0.27 -1.47 -0.02 0.00 -0.91 0.00 0.00 33.84 31.71 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 -6.91 3.77 0.77 7.52 1.43 0.09 -4.97 118.68 120.38 2p2k s LEU 85 Ca 0.00 1.03 -0.11 0.00 -1.03 0.00 0.00 54.13 54.03 2p2k s LEU 85 Cb 0.00 -3.94 0.05 0.00 0.03 0.00 0.00 46.19 42.34 2p2k s LEU 85 CO 0.00 -0.45 1.08 -2.16 0.23 0.00 0.00 176.35 175.05 2p2k s PRO 86 N -4.16 2.29 0.22 1.29 0.04 -1.26 -4.79 135.00 128.62 2p2k s PRO 86 Ca 0.49 1.06 -0.08 0.00 0.04 0.00 0.00 61.00 62.51 2p2k s PRO 86 Cb -0.10 -1.91 0.34 0.00 0.04 0.00 0.00 34.50 32.87 2p2k s PRO 86 CO 0.36 -1.59 1.70 1.49 0.04 0.00 0.00 177.00 179.01 2p2k h GLU 87 N -1.08 0.26 -5.55 4.56 4.81 -1.93 -3.40 114.58 112.25 2p2k h GLU 87 Ca -0.44 -0.02 -0.65 0.00 -0.13 0.00 0.00 59.36 58.13 2p2k h GLU 87 Cb 1.23 -0.06 -0.15 0.00 0.63 0.00 0.00 28.75 30.40 2p2k h GLU 87 CO 0.53 0.17 -0.58 -1.58 -0.73 0.00 0.00 179.01 176.82 2p2k s TRP 88 N -6.09 3.25 0.20 0.92 0.52 -1.26 -0.81 118.94 115.66 2p2k s TRP 88 Ca -0.13 0.13 0.01 0.00 0.02 0.00 0.00 56.10 56.14 2p2k s TRP 88 Cb 0.19 -1.95 -0.05 0.00 -1.15 0.00 0.00 33.47 30.51 2p2k s TRP 88 CO 0.74 0.32 0.04 0.14 0.02 0.00 0.00 176.95 178.21 2p2k s VAL 89 N -0.23 0.56 0.13 4.03 -7.23 -0.34 -4.12 120.40 113.20 2p2k s VAL 89 Ca 0.07 -1.98 0.05 0.00 -1.81 0.00 0.00 61.98 58.31 2p2k s VAL 89 Cb -0.12 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 2p2k s VAL 89 CO 0.02 -0.31 0.09 -0.13 -0.31 0.00 0.00 175.10 174.46 2p2k s ARG 90 N -3.97 2.80 0.09 4.82 0.52 -0.11 0.64 118.95 123.74 2p2k s ARG 90 Ca 0.29 -0.84 0.07 0.00 -0.52 0.00 0.00 55.73 54.73 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 0.07 0.51 -0.14 0.14 0.02 0.00 0.00 175.30 175.90 2p2k s VAL 91 N -1.60 3.09 0.29 3.52 -7.23 -1.26 -1.25 120.40 115.96 2p2k s VAL 91 Ca 0.30 -1.30 -0.19 0.00 -1.81 0.00 0.00 61.98 58.98 2p2k s VAL 91 Cb -0.11 -2.40 0.07 0.00 0.56 0.00 0.00 36.38 34.50 2p2k s VAL 91 CO 0.22 0.17 0.92 -0.83 -0.31 0.00 0.00 175.10 175.28 2p2k s GLY 92 N -1.98 0.27 -0.05 2.32 0.00 0.29 -0.33 107.32 107.86 2p2k s GLY 92 Ca 0.19 -0.58 0.06 0.00 0.00 0.00 0.00 44.72 44.39 2p2k s GLY 92 CO 0.10 1.24 -0.25 1.08 0.00 0.00 0.00 173.10 175.27 2p2k s LEU 93 N -3.27 2.06 0.08 0.66 1.43 0.13 0.43 118.68 120.19 2p2k s LEU 93 Ca 0.19 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 52.86 2p2k s LEU 93 Cb -0.04 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 2p2k s LEU 93 CO 0.09 0.26 -0.17 -0.55 0.23 0.00 0.00 176.35 176.20 2p2k s SER 94 N -0.26 2.03 0.11 2.29 0.15 0.13 -0.63 113.70 117.52 2p2k s SER 94 Ca -0.01 -0.62 -0.17 0.00 0.70 0.00 0.00 55.95 55.86 2p2k s SER 94 Cb -0.13 -0.10 0.04 0.00 -1.71 0.00 0.00 66.02 64.12 2p2k s SER 94 CO 0.03 -0.00 0.41 0.00 1.20 0.00 0.00 173.24 174.87 2p2k s ALA 95 N -1.17 -0.97 0.13 5.45 0.00 -0.07 0.09 121.76 125.24 2p2k s ALA 95 Ca 0.02 0.05 -0.12 0.00 0.00 0.00 0.00 51.96 51.92 2p2k s ALA 95 Cb -0.10 0.61 0.01 0.00 0.00 0.00 0.00 23.12 23.64 2p2k s ALA 95 CO 0.03 -0.60 0.31 -1.54 0.00 0.00 0.00 175.76 173.96 2p2k s SER 96 N -2.61 -0.04 0.21 0.00 1.04 -1.04 -1.32 113.70 109.94 2p2k s SER 96 Ca 0.01 -0.61 0.03 0.00 0.48 0.00 0.00 55.95 55.85 2p2k s SER 96 Cb 0.01 0.43 -0.05 0.00 0.10 0.00 0.00 66.02 66.51 2p2k s SER 96 CO -0.10 -0.85 -0.01 0.42 0.98 0.00 0.00 173.24 173.69 2p2k s THR 97 N -3.88 0.94 0.00 2.02 -4.23 0.18 -0.14 115.64 110.53 2p2k s THR 97 Ca 0.09 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 2p2k s THR 97 Cb 0.03 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.60 2p2k s THR 97 CO -0.07 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 2p2k n GLY 98 N -0.36 3.91 0.17 3.99 0.00 -1.26 -1.08 105.19 110.56 2p2k n GLY 98 Ca -0.06 -0.46 0.05 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 -9.80 0.99 5.85 -1.97 0.23 115.31 110.61 2p2k h LEU 99 Ca 0.00 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.17 2p2k h LEU 99 Cb 0.00 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 40.95 2p2k h LEU 99 CO 0.00 0.40 -0.54 -0.31 -0.34 0.00 0.00 178.44 177.65 2p2k s TYR 100 N -3.31 2.68 0.26 1.25 2.02 -1.26 -4.93 117.35 114.05 2p2k s TYR 100 Ca 0.02 -0.41 -0.13 0.00 -0.37 0.00 0.00 57.07 56.18 2p2k s TYR 100 Cb 0.09 -1.67 -0.00 0.00 -0.40 0.00 0.00 41.96 39.98 2p2k s TYR 100 CO 0.70 0.33 0.50 -1.59 -1.57 0.00 0.00 175.55 173.92 2p2k s LYS 101 N -3.84 1.59 -0.07 -0.62 0.00 -1.22 -4.37 119.74 111.20 2p2k s LYS 101 Ca 0.38 -1.27 -0.29 0.00 0.00 0.00 0.00 55.97 54.79 2p2k s LYS 101 Cb -0.02 0.48 0.11 0.00 0.00 0.00 0.00 37.83 38.40 2p2k s LYS 101 CO 0.22 -0.67 0.90 -1.83 0.00 0.00 0.00 175.35 173.97 2p2k s GLU 102 N -3.93 0.77 0.32 1.78 -1.05 -0.88 -3.28 118.70 112.43 2p2k s GLU 102 Ca 0.22 -0.03 -0.29 0.00 -0.15 0.00 0.00 54.97 54.72 2p2k s GLU 102 Cb -0.01 0.36 -0.10 0.00 -0.44 0.00 0.00 34.13 33.94 2p2k s GLU 102 CO 0.10 -0.29 1.35 0.95 0.95 0.00 0.00 175.26 178.32 2p2k s THR 103 N -1.99 2.62 -0.63 1.83 -4.23 0.88 -4.65 115.64 109.47 2p2k s THR 103 Ca -0.00 0.61 0.05 0.00 -1.18 0.00 0.00 61.69 61.16 2p2k s THR 103 Cb -0.01 -3.39 0.31 0.00 1.34 0.00 0.00 72.50 70.76 2p2k s THR 103 CO -0.02 0.14 0.94 0.59 -0.54 0.00 0.00 174.62 175.73 2p2k n ASN 104 N 1.00 4.47 -4.68 3.99 3.02 -1.26 -3.63 115.26 118.17 2p2k n ASN 104 Ca 0.01 -3.62 -0.39 0.00 -0.03 0.00 0.00 54.58 50.55 2p2k n ASN 104 Cb 0.41 -0.63 -0.06 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 -3.91 5.07 -0.26 3.41 2.01 -0.80 -1.72 115.64 119.44 2p2k s THR 105 Ca 0.46 1.16 -0.10 0.00 0.31 0.00 0.00 61.69 63.52 2p2k s THR 105 Cb 0.24 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 2p2k s THR 105 CO -0.10 0.19 0.16 -0.63 -0.69 0.00 0.00 174.62 173.55 2p2k s ILE 106 N 1.39 5.17 -0.13 1.82 -1.09 0.15 0.29 121.20 128.81 2p2k s ILE 106 Ca 0.29 0.12 0.20 0.00 -2.23 0.00 0.00 60.65 59.03 2p2k s ILE 106 Cb -0.16 -3.44 -0.19 0.00 -1.58 0.00 0.00 42.46 37.08 2p2k s ILE 106 CO 0.12 0.29 0.63 0.18 -1.23 0.00 0.00 174.94 174.93 2p2k n LEU 107 N 4.82 0.43 -3.49 2.97 4.32 -0.05 -0.46 117.00 125.53 2p2k n LEU 107 Ca -0.15 0.18 -0.12 0.00 -0.02 0.00 0.00 56.01 55.90 2p2k n LEU 107 Cb 0.52 0.09 -0.03 0.00 -1.62 0.00 0.00 43.42 42.37 2p2k n LEU 107 CO 0.33 0.08 0.55 -0.94 -1.22 0.00 0.00 177.39 176.19 2p2k s SER 108 N -5.21 -0.50 -0.26 -1.43 1.04 -1.22 -4.48 113.70 101.64 2p2k s SER 108 Ca -0.05 0.23 -0.11 0.00 0.48 0.00 0.00 55.95 56.49 2p2k s SER 108 Cb 0.10 0.48 0.10 0.00 0.10 0.00 0.00 66.02 66.80 2p2k s SER 108 CO 0.84 -0.69 0.59 0.86 0.98 0.00 0.00 173.24 175.82 2p2k s TRP 109 N -2.57 -1.07 0.13 5.02 -0.00 0.38 -1.23 118.94 119.60 2p2k s TRP 109 Ca -0.01 1.99 0.07 0.00 -0.00 0.00 0.00 56.10 58.15 2p2k s TRP 109 Cb -0.01 0.60 -0.04 0.00 -0.00 0.00 0.00 33.47 34.02 2p2k s TRP 109 CO -0.04 -0.55 -0.16 -1.54 -0.00 0.00 0.00 176.95 174.66 2p2k s SER 110 N 2.25 2.19 -0.09 5.86 1.04 0.93 0.03 113.70 125.90 2p2k s SER 110 Ca -0.07 -0.80 -0.09 0.00 0.48 0.00 0.00 55.95 55.47 2p2k s SER 110 Cb -0.09 -0.10 0.02 0.00 0.10 0.00 0.00 66.02 65.96 2p2k s SER 110 CO -0.17 -0.09 0.26 0.12 0.98 0.00 0.00 173.24 174.33 2p2k s PHE 111 N -1.95 -0.28 -0.04 5.02 5.36 0.79 -0.91 117.98 125.98 2p2k s PHE 111 Ca 0.09 0.67 0.00 0.00 -0.96 0.00 0.00 56.93 56.74 2p2k s PHE 111 Cb -0.06 0.09 0.03 0.00 -0.34 0.00 0.00 43.02 42.74 2p2k s PHE 111 CO 0.04 -0.15 -0.00 0.99 -1.46 0.00 0.00 175.22 174.64 2p2k s THR 112 N 0.06 0.23 0.01 0.12 2.01 -0.12 -0.12 115.64 117.84 2p2k s THR 112 Ca -0.01 0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.13 2p2k s THR 112 Cb -0.02 -0.33 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 2p2k s THR 112 CO 0.01 0.17 -0.19 -0.55 -0.69 0.00 0.00 174.62 173.37 2p2k s SER 113 N 1.13 2.21 -0.03 3.53 0.15 0.11 -0.81 113.70 119.99 2p2k s SER 113 Ca -0.08 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.17 2p2k s SER 113 Cb -0.13 -0.22 0.02 0.00 -1.71 0.00 0.00 66.02 63.98 2p2k s SER 113 CO -0.02 0.19 -0.02 -0.54 1.20 0.00 0.00 173.24 174.05 2p2k s LYS 114 N -0.74 0.50 -0.32 5.44 1.02 -0.16 -0.81 119.74 124.67 2p2k s LYS 114 Ca 0.07 -0.00 -0.07 0.00 0.02 0.00 0.00 55.97 55.98 2p2k s LYS 114 Cb -0.08 -0.60 0.02 0.00 -0.52 0.00 0.00 37.83 36.66 2p2k s LYS 114 CO 0.00 -0.10 0.11 -0.51 -0.92 0.00 0.00 175.35 173.93 2p2k s LEU 115 N 0.92 4.16 -0.24 3.17 1.43 0.12 -1.82 118.68 126.43 2p2k s LEU 115 Ca -0.10 -0.92 -0.08 0.00 -1.03 0.00 0.00 54.13 51.99 2p2k s LEU 115 Cb -0.14 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 2p2k s LEU 115 CO -0.01 -0.27 0.10 -0.54 0.23 0.00 0.00 176.35 175.86 2p2k s LYS 116 N 1.47 3.83 0.00 1.70 1.02 0.73 -0.96 119.74 127.53 2p2k s LYS 116 Ca 0.01 -0.40 0.00 0.00 0.02 0.00 0.00 55.97 55.60 2p2k s LYS 116 Cb -0.18 -3.38 0.00 0.00 -0.52 0.00 0.00 37.83 33.75 2p2k s LYS 116 CO 0.03 -0.05 0.00 0.43 -0.92 0.00 0.00 175.35 174.84 2p2k n SER 117 N 4.54 0.00 0.00 2.83 7.64 -1.26 0.10 113.62 127.47 2p2k n SER 117 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 2p2k n SER 117 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2p2k n SER 117 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2p2k n ASN 118 N -0.72 0.00 -4.61 6.43 6.94 -1.26 -4.70 115.26 117.34 2p2k n ASN 118 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 54.58 54.27 2p2k n ASN 118 Cb 0.00 0.00 0.14 0.00 -2.36 0.00 0.00 39.78 37.56 2p2k n ASN 118 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2p2k s SER 119 N -1.12 3.49 -0.10 0.53 0.01 -1.26 -5.15 113.70 110.09 2p2k s SER 119 Ca 0.00 0.75 -0.06 0.00 1.31 0.00 0.00 55.95 57.95 2p2k s SER 119 Cb 0.00 -1.18 0.04 0.00 0.21 0.00 0.00 66.02 65.09 2p2k s SER 119 CO 0.00 -2.54 0.25 -0.89 0.41 0.00 0.00 173.24 170.47 2p2k s THR 123 N -3.45 -0.03 -0.09 1.44 2.01 -1.26 -4.74 115.64 109.51 2p2k s THR 123 Ca 0.66 0.11 -0.09 0.00 0.31 0.00 0.00 61.69 62.68 2p2k s THR 123 Cb -0.11 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 2p2k s THR 123 CO 0.52 0.05 0.20 0.20 -0.69 0.00 0.00 174.62 174.90 2p2k s ASN 124 N 1.00 6.49 0.04 3.53 0.02 -0.13 -4.96 114.94 120.93 2p2k s ASN 124 Ca -0.07 0.59 -0.03 0.00 -1.02 0.00 0.00 52.86 52.32 2p2k s ASN 124 Cb -0.08 -2.11 -0.02 0.00 0.02 0.00 0.00 41.25 39.06 2p2k s ASN 124 CO -0.07 0.39 0.04 0.00 0.02 0.00 0.00 177.10 177.49 2p2k s ALA 125 N -1.04 0.08 -0.02 0.60 0.00 -1.26 0.14 121.76 120.27 2p2k s ALA 125 Ca 0.17 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.45 2p2k s ALA 125 Cb -0.13 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.24 2p2k s ALA 125 CO 0.06 -0.29 0.00 -1.17 0.00 0.00 0.00 175.76 174.37 2p2k s LEU 126 N -2.11 1.44 -0.01 0.00 2.96 0.01 -4.97 118.68 115.99 2p2k s LEU 126 Ca -0.05 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 2p2k s LEU 126 Cb -0.02 -0.12 0.00 0.00 0.50 0.00 0.00 46.19 46.55 2p2k s LEU 126 CO -0.05 -0.07 -0.05 -2.28 -1.32 0.00 0.00 176.35 172.58 2p2k s HIS 127 N 0.66 0.52 0.06 5.38 5.65 -1.26 0.05 115.29 126.35 2p2k s HIS 127 Ca -0.06 -0.10 0.02 0.00 0.25 0.00 0.00 55.06 55.17 2p2k s HIS 127 Cb -0.09 -0.37 -0.03 0.00 -1.18 0.00 0.00 32.58 30.91 2p2k s HIS 127 CO -0.02 -0.04 -0.07 -0.59 -0.65 0.00 0.00 174.74 173.38 2p2k s PHE 128 N 0.06 0.71 -0.03 3.88 -0.12 0.84 -4.98 117.98 118.33 2p2k s PHE 128 Ca -0.00 -0.61 0.01 0.00 -0.05 0.00 0.00 56.93 56.28 2p2k s PHE 128 Cb -0.04 -0.42 0.02 0.00 -0.63 0.00 0.00 43.02 41.94 2p2k s PHE 128 CO -0.00 -0.11 -0.04 1.41 -0.05 0.00 0.00 175.22 176.43 2p2k s MET 129 N -2.18 0.67 -0.26 1.99 1.75 -1.26 -0.15 119.30 119.86 2p2k s MET 129 Ca -0.04 -0.11 0.02 0.00 -1.25 0.00 0.00 55.69 54.31 2p2k s MET 129 Cb -0.06 -0.69 0.06 0.00 2.84 0.00 0.00 34.83 36.99 2p2k s MET 129 CO -0.01 -0.03 -0.07 -0.06 -0.65 0.00 0.00 175.02 174.20 2p2k s PHE 130 N 0.64 2.96 -0.44 4.11 0.40 0.10 -4.92 117.98 120.84 2p2k s PHE 130 Ca -0.08 -2.17 0.21 0.00 -0.60 0.00 0.00 56.93 54.30 2p2k s PHE 130 Cb -0.11 -1.88 -0.29 0.00 0.51 0.00 0.00 43.02 41.25 2p2k s PHE 130 CO -0.00 -0.85 0.65 0.09 0.70 0.00 0.00 175.22 175.81 2p2k n ASN 131 N 4.51 0.48 -3.98 1.36 3.02 -1.26 -0.47 115.26 118.93 2p2k n ASN 131 Ca -0.12 -0.43 -0.14 0.00 -0.03 0.00 0.00 54.58 53.86 2p2k n ASN 131 Cb 0.43 1.56 -0.13 0.00 -0.61 0.00 0.00 39.78 41.02 2p2k n ASN 131 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2p2k s GLN 132 N -3.26 0.41 -0.10 3.52 2.00 -1.26 -4.71 119.66 116.26 2p2k s GLN 132 Ca -0.01 -0.34 0.02 0.00 -2.00 0.00 0.00 55.36 53.03 2p2k s GLN 132 Cb 0.15 -0.32 -0.01 0.00 0.80 0.00 0.00 33.01 33.62 2p2k s GLN 132 CO 0.87 0.08 -0.16 -0.06 -0.50 0.00 0.00 175.29 175.52 2p2k s PHE 133 N -0.50 2.71 0.35 1.67 0.40 0.19 -4.99 117.98 117.80 2p2k s PHE 133 Ca -0.02 -0.62 -0.10 0.00 -0.60 0.00 0.00 56.93 55.59 2p2k s PHE 133 Cb -0.04 -1.75 -0.07 0.00 0.51 0.00 0.00 43.02 41.67 2p2k s PHE 133 CO -0.00 -0.17 0.69 -1.12 0.70 0.00 0.00 175.22 175.32 2p2k s SER 134 N 0.08 6.55 0.37 1.36 0.01 -1.26 -3.63 113.70 117.19 2p2k s SER 134 Ca -0.07 1.03 0.14 0.00 1.31 0.00 0.00 55.95 58.36 2p2k s SER 134 Cb -0.15 -2.28 0.97 0.00 0.21 0.00 0.00 66.02 64.78 2p2k s SER 134 CO 0.05 -0.29 1.81 0.07 0.41 0.00 0.00 173.24 175.29 2p2k h LYS 135 N 1.64 0.51 -3.02 12.44 2.10 -1.91 -3.08 116.57 125.25 2p2k h LYS 135 Ca -0.47 -0.03 -0.65 0.00 -2.00 0.00 0.00 60.65 57.50 2p2k h LYS 135 Cb 1.18 -0.12 -0.39 0.00 -0.90 0.00 0.00 32.23 32.00 2p2k h LYS 135 CO 0.65 0.34 -0.37 -3.47 -2.00 0.00 0.00 179.45 174.60 2p2k n ASP 136 N -4.62 3.64 -4.47 7.07 2.03 -1.26 -4.67 116.55 114.27 2p2k n ASP 136 Ca 0.22 -3.23 -0.43 0.00 0.52 0.00 0.00 54.79 51.87 2p2k n ASP 136 Cb 0.70 -0.86 -0.03 0.00 -0.72 0.00 0.00 41.12 40.22 2p2k n ASP 136 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 2p2k s GLN 137 N -1.65 3.58 0.49 -0.67 2.00 -1.16 -4.84 119.66 117.41 2p2k s GLN 137 Ca 0.28 -1.63 0.31 0.00 -2.00 0.00 0.00 55.36 52.32 2p2k s GLN 137 Cb -0.02 -4.96 1.24 0.00 0.80 0.00 0.00 33.01 30.07 2p2k s GLN 137 CO -0.12 -1.84 1.91 0.87 -0.50 0.00 0.00 175.29 175.61 2p2k h LYS 138 N 9.01 0.00 -0.61 1.67 1.57 -1.95 -1.80 116.57 124.46 2p2k h LYS 138 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2p2k h LYS 138 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 2p2k h LYS 138 CO 1.16 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.64 2p2k n ASP 139 N -2.92 3.66 -4.42 0.86 5.75 -1.26 -4.80 116.55 113.41 2p2k n ASP 139 Ca 0.01 -2.27 -0.32 0.00 -0.01 0.00 0.00 54.79 52.19 2p2k n ASP 139 Cb 0.30 -0.48 -0.14 0.00 -1.03 0.00 0.00 41.12 39.77 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 -1.43 2.60 -0.50 -2.12 1.43 -0.68 -1.28 118.68 116.71 2p2k s LEU 140 Ca 0.39 -0.27 -0.21 0.00 -1.03 0.00 0.00 54.13 53.02 2p2k s LEU 140 Cb 0.24 -1.53 0.05 0.00 0.03 0.00 0.00 46.19 44.98 2p2k s LEU 140 CO 0.21 0.30 0.70 -0.63 0.23 0.00 0.00 176.35 177.16 2p2k s ILE 141 N -0.49 4.76 0.01 -0.59 1.01 0.62 -4.86 121.20 121.66 2p2k s ILE 141 Ca 0.06 -0.16 -0.28 0.00 0.00 0.00 0.00 60.65 60.27 2p2k s ILE 141 Cb -0.12 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 2p2k s ILE 141 CO 0.01 -0.81 0.88 -0.76 0.00 0.00 0.00 174.94 174.26 2p2k s LEU 142 N 2.96 4.39 0.06 2.97 1.43 -1.26 -1.13 118.68 128.10 2p2k s LEU 142 Ca 0.20 1.55 0.08 0.00 -1.03 0.00 0.00 54.13 54.93 2p2k s LEU 142 Cb -0.16 -3.41 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 2p2k s LEU 142 CO 0.15 -0.15 -0.22 -1.10 0.23 0.00 0.00 176.35 175.26 2p2k s GLN 143 N 0.63 1.37 6.79 1.70 -0.21 0.78 -4.97 119.66 125.75 2p2k s GLN 143 Ca 0.46 -1.03 0.00 0.00 0.02 0.00 0.00 55.36 54.81 2p2k s GLN 143 Cb -0.21 -1.55 0.00 0.00 1.00 0.00 0.00 33.01 32.26 2p2k s GLN 143 CO 0.25 0.39 0.00 0.41 -2.12 0.00 0.00 175.29 174.22 2p2k n GLY 144 N 1.61 2.31 0.59 3.09 0.00 -1.26 -1.66 105.19 109.87 2p2k n GLY 144 Ca -0.18 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.57 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 4.87 1.77 -4.74 1.61 8.00 0.16 -4.93 116.55 123.30 2p2k n ASP 145 Ca 0.00 -1.71 -0.41 0.00 0.71 0.00 0.00 54.79 53.37 2p2k n ASP 145 Cb 0.00 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 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 -1.79 3.57 0.10 2.24 0.00 -1.00 -4.30 121.76 120.60 2p2k s ALA 146 Ca 0.33 1.23 -0.01 0.00 0.00 0.00 0.00 51.96 53.51 2p2k s ALA 146 Cb 0.18 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2p2k s ALA 146 CO 0.27 -0.64 0.03 0.95 0.00 0.00 0.00 175.76 176.37 2p2k s THR 147 N -0.05 0.14 0.20 0.00 -4.23 -0.07 -4.62 115.64 107.02 2p2k s THR 147 Ca 0.57 -1.86 0.09 0.00 -1.18 0.00 0.00 61.69 59.31 2p2k s THR 147 Cb -0.39 -1.85 -0.05 0.00 1.34 0.00 0.00 72.50 71.55 2p2k s THR 147 CO 0.42 -0.65 -0.17 0.42 -0.54 0.00 0.00 174.62 174.10 2p2k s THR 148 N -4.00 1.89 0.00 3.99 -4.23 -1.26 0.61 115.64 112.64 2p2k s THR 148 Ca 0.18 -2.13 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 2p2k s THR 148 Cb 0.08 -2.00 0.00 0.00 1.34 0.00 0.00 72.50 71.91 2p2k s THR 148 CO -0.03 -0.45 0.00 0.61 -0.54 0.00 0.00 174.62 174.21 2p2k n GLY 149 N -0.15 -1.30 0.96 3.99 0.00 -0.17 -4.22 105.19 104.31 2p2k n GLY 149 Ca -0.10 -1.26 0.05 0.00 0.00 0.00 0.00 46.02 44.71 2p2k n GLY 149 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2p2k n THR 150 N -0.09 0.97 1.59 2.61 -1.04 -1.26 -4.35 114.28 112.71 2p2k n THR 150 Ca 0.00 -0.61 0.12 0.00 -2.04 0.00 0.00 64.05 61.52 2p2k n THR 150 Cb 0.00 -0.10 0.53 0.00 -1.82 0.00 0.00 70.33 68.94 2p2k n THR 150 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2p2k n ASP 151 N 0.44 0.97 0.00 8.00 5.68 -1.26 -4.92 116.55 125.46 2p2k n ASP 151 Ca 0.13 -1.50 0.00 0.00 -0.50 0.00 0.00 54.79 52.92 2p2k n ASP 151 Cb 0.54 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 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 1.03 0.82 3.86 6.12 0.00 -1.26 -4.99 105.19 110.77 2p2k n GLY 152 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.66 5.79 -0.25 1.61 0.01 -1.26 0.53 114.94 118.71 2p2k s ASN 153 Ca 0.00 -0.08 -0.11 0.00 -0.71 0.00 0.00 52.86 51.95 2p2k s ASN 153 Cb 0.00 -1.58 -0.05 0.00 0.41 0.00 0.00 41.25 40.04 2p2k s ASN 153 CO 0.00 0.01 0.20 -0.22 -1.51 0.00 0.00 177.10 175.58 2p2k s LEU 154 N -3.48 4.08 -0.44 0.60 2.96 0.39 -1.00 118.68 121.78 2p2k s LEU 154 Ca 0.33 0.10 -0.09 0.00 -0.22 0.00 0.00 54.13 54.25 2p2k s LEU 154 Cb -0.09 -2.16 0.10 0.00 0.50 0.00 0.00 46.19 44.53 2p2k s LEU 154 CO 0.26 -0.01 0.30 -1.61 -1.32 0.00 0.00 176.35 173.97 2p2k s GLU 155 N 1.42 2.55 0.31 1.98 0.41 0.20 0.35 118.70 125.92 2p2k s GLU 155 Ca 0.09 -1.60 0.05 0.00 -0.41 0.00 0.00 54.97 53.09 2p2k s GLU 155 Cb -0.15 -3.86 0.51 0.00 -1.78 0.00 0.00 34.13 28.85 2p2k s GLU 155 CO 0.08 -1.07 1.76 -0.07 -0.49 0.00 0.00 175.26 175.47 2p2k h LEU 156 N 8.44 0.37 -9.18 1.80 3.38 -1.58 -0.14 115.31 118.39 2p2k h LEU 156 Ca -0.22 -0.12 -0.52 0.00 0.09 0.00 0.00 57.88 57.11 2p2k h LEU 156 Cb 1.08 -0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.59 2p2k h LEU 156 CO 0.81 0.62 -0.69 0.42 0.09 0.00 0.00 178.44 179.70 2p2k s THR 157 N -4.48 1.84 0.17 0.22 -4.23 -1.26 -2.68 115.64 105.22 2p2k s THR 157 Ca -0.06 -2.17 -0.32 0.00 -1.18 0.00 0.00 61.69 57.96 2p2k s THR 157 Cb 0.14 -2.44 -0.12 0.00 1.34 0.00 0.00 72.50 71.43 2p2k s THR 157 CO 0.77 -0.32 1.77 0.54 -0.54 0.00 0.00 174.62 176.84 2p2k n ARG 158 N -0.61 2.75 -4.72 3.99 5.12 -1.26 -4.75 116.66 117.18 2p2k n ARG 158 Ca -0.06 1.00 -0.26 0.00 -1.93 0.00 0.00 57.85 56.60 2p2k n ARG 158 Cb 0.63 -2.86 -0.17 0.00 -1.16 0.00 0.00 32.46 28.90 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 1.83 1.35 -1.30 1.55 1.01 -1.26 -0.70 120.40 122.88 2p2k s VAL 159 Ca 0.78 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 62.03 2p2k s VAL 159 Cb -0.51 -1.21 0.13 0.00 0.00 0.00 0.00 36.38 34.79 2p2k s VAL 159 CO 0.35 0.40 1.80 -1.20 0.00 0.00 0.00 175.10 176.45 2p2k n SER 160 N 3.76 4.87 0.00 3.32 7.64 0.18 -4.84 113.62 128.55 2p2k n SER 160 Ca -0.22 -2.99 0.00 0.00 1.01 0.00 0.00 58.87 56.67 2p2k n SER 160 Cb 0.52 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 2p2k n SER 160 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2p2k n SER 161 N 5.54 0.00 -0.27 6.43 7.64 -1.26 -1.08 113.62 130.62 2p2k n SER 161 Ca 0.43 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.36 2p2k n SER 161 Cb 0.40 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.80 2p2k n SER 161 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2p2k n ASN 162 N 0.00 0.79 0.00 6.43 0.23 -1.26 -4.90 115.26 116.55 2p2k n ASN 162 Ca 0.00 -1.85 0.00 0.00 -0.53 0.00 0.00 54.58 52.20 2p2k n ASN 162 Cb 0.00 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.62 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 0.81 0.64 3.64 4.83 0.00 -0.24 -5.06 105.19 109.80 2p2k n GLY 163 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.80 6.75 0.66 1.61 1.04 -1.08 -4.72 113.70 115.16 2p2k s SER 164 Ca 0.00 0.93 -0.17 0.00 0.48 0.00 0.00 55.95 57.19 2p2k s SER 164 Cb 0.00 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.72 2p2k s SER 164 CO 0.00 -0.44 1.22 -2.16 0.98 0.00 0.00 173.24 172.84 2p2k s PRO 165 N 2.59 2.55 -0.03 4.02 0.04 -1.26 0.47 135.00 143.38 2p2k s PRO 165 Ca 0.32 1.83 0.01 0.00 0.04 0.00 0.00 61.00 63.20 2p2k s PRO 165 Cb -0.15 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 2p2k s PRO 165 CO 0.08 -1.53 -0.03 -1.14 0.04 0.00 0.00 177.00 174.42 2p2k s GLN 166 N -3.61 2.77 1.00 4.56 0.74 0.12 -4.80 119.66 120.45 2p2k s GLN 166 Ca 0.77 -0.58 -0.15 0.00 0.05 0.00 0.00 55.36 55.45 2p2k s GLN 166 Cb -0.31 -2.65 0.19 0.00 1.10 0.00 0.00 33.01 31.35 2p2k s GLN 166 CO 0.40 0.64 1.18 0.20 -0.55 0.00 0.00 175.29 177.16 2p2k s GLY 167 N -1.25 1.63 -1.08 2.59 0.00 -1.26 -4.19 107.32 103.77 2p2k s GLY 167 Ca 0.16 -0.80 -0.01 0.00 0.00 0.00 0.00 44.72 44.07 2p2k s GLY 167 CO 0.06 -0.10 0.04 -1.14 0.00 0.00 0.00 173.10 171.95 2p2k n SER 168 N -4.04 0.49 -4.48 1.64 3.41 0.81 -4.84 113.62 106.61 2p2k n SER 168 Ca 0.10 -0.87 -0.33 0.00 -0.26 0.00 0.00 58.87 57.52 2p2k n SER 168 Cb 0.59 -1.08 -0.13 0.00 -0.26 0.00 0.00 64.21 63.33 2p2k n SER 168 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2p2k s SER 169 N -3.82 4.02 -0.00 4.04 0.15 -1.15 -4.94 113.70 111.99 2p2k s SER 169 Ca 0.05 -0.20 0.01 0.00 0.70 0.00 0.00 55.95 56.51 2p2k s SER 169 Cb -0.03 -0.84 -0.00 0.00 -1.71 0.00 0.00 66.02 63.44 2p2k s SER 169 CO 0.68 0.34 -0.03 0.54 1.20 0.00 0.00 173.24 175.97 2p2k s VAL 170 N -0.74 0.26 -0.07 4.45 0.11 -1.26 0.52 120.40 123.67 2p2k s VAL 170 Ca 0.12 -0.13 -0.27 0.00 -2.93 0.00 0.00 61.98 58.77 2p2k s VAL 170 Cb -0.11 -0.24 0.06 0.00 -1.53 0.00 0.00 36.38 34.57 2p2k s VAL 170 CO 0.01 0.08 0.60 -0.83 -3.33 0.00 0.00 175.10 171.63 2p2k s GLY 171 N -0.01 -0.48 0.03 6.54 0.00 -0.44 0.40 107.32 113.36 2p2k s GLY 171 Ca 0.01 1.20 -0.03 0.00 0.00 0.00 0.00 44.72 45.89 2p2k s GLY 171 CO -0.00 0.88 0.03 0.50 0.00 0.00 0.00 173.10 174.51 2p2k s ARG 172 N -1.01 0.46 -0.09 2.90 0.52 -0.66 -0.89 118.95 120.18 2p2k s ARG 172 Ca -0.10 -0.71 -0.00 0.00 -0.52 0.00 0.00 55.73 54.39 2p2k s ARG 172 Cb -0.02 0.17 0.02 0.00 0.52 0.00 0.00 34.95 35.65 2p2k s ARG 172 CO 0.08 -0.10 -0.05 0.00 0.02 0.00 0.00 175.30 175.25 2p2k s ALA 173 N -2.14 1.09 -0.02 2.13 0.00 0.20 -0.15 121.76 122.87 2p2k s ALA 173 Ca -0.09 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.52 2p2k s ALA 173 Cb -0.04 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 2p2k s ALA 173 CO -0.03 -0.37 -0.10 -0.51 0.00 0.00 0.00 175.76 174.75 2p2k s LEU 174 N 1.67 2.97 0.31 0.00 1.02 -0.29 0.21 118.68 124.58 2p2k s LEU 174 Ca 0.03 -0.17 -0.29 0.00 0.02 0.00 0.00 54.13 53.72 2p2k s LEU 174 Cb -0.13 -1.67 -0.11 0.00 0.02 0.00 0.00 46.19 44.30 2p2k s LEU 174 CO -0.06 0.32 1.49 0.12 0.02 0.00 0.00 176.35 178.23 2p2k s PHE 175 N -0.87 2.81 0.21 0.29 5.36 0.56 -0.28 117.98 126.05 2p2k s PHE 175 Ca 0.14 1.04 -0.10 0.00 -0.96 0.00 0.00 56.93 57.05 2p2k s PHE 175 Cb -0.11 -3.94 0.15 0.00 -0.34 0.00 0.00 43.02 38.78 2p2k s PHE 175 CO 0.04 -2.96 1.85 -0.92 -1.46 0.00 0.00 175.22 171.77 2p2k h TYR 176 N 4.15 0.98 -3.82 10.12 5.03 -1.52 -3.42 116.97 128.49 2p2k h TYR 176 Ca -0.48 -0.00 -0.49 0.00 2.58 0.00 0.00 58.73 60.34 2p2k h TYR 176 Cb 1.23 -0.32 -0.00 0.00 1.55 0.00 0.00 36.73 39.18 2p2k h TYR 176 CO 0.57 0.66 0.39 0.00 -1.32 0.00 0.00 178.16 178.46 2p2k s ALA 177 N -5.98 3.30 0.72 1.82 0.00 -1.26 -5.00 121.76 115.37 2p2k s ALA 177 Ca -0.13 0.69 -0.14 0.00 0.00 0.00 0.00 51.96 52.38 2p2k s ALA 177 Cb 0.15 -3.25 0.04 0.00 0.00 0.00 0.00 23.12 20.06 2p2k s ALA 177 CO 0.79 0.04 1.17 -2.14 0.00 0.00 0.00 175.76 175.62 2p2k s PRO 178 N -1.59 2.25 -0.11 0.00 0.02 -1.26 -4.76 135.00 129.55 2p2k s PRO 178 Ca 0.46 1.61 0.02 0.00 0.02 0.00 0.00 61.00 63.11 2p2k s PRO 178 Cb -0.26 -1.86 0.01 0.00 0.02 0.00 0.00 34.50 32.41 2p2k s PRO 178 CO 0.33 -1.71 -0.16 0.08 -0.33 0.00 0.00 177.00 175.20 2p2k s VAL 179 N -2.17 1.55 -0.87 3.83 1.01 0.21 -4.94 120.40 119.01 2p2k s VAL 179 Ca 0.71 -0.67 -0.22 0.00 0.00 0.00 0.00 61.98 61.80 2p2k s VAL 179 Cb -0.26 -1.41 0.07 0.00 0.00 0.00 0.00 36.38 34.79 2p2k s VAL 179 CO 0.45 0.45 1.23 -2.28 0.00 0.00 0.00 175.10 174.95 2p2k s HIS 180 N 1.02 2.68 0.01 5.22 2.46 -1.26 -1.20 115.29 124.22 2p2k s HIS 180 Ca -0.06 -0.80 0.10 0.00 0.47 0.00 0.00 55.06 54.78 2p2k s HIS 180 Cb -0.15 -4.48 -0.22 0.00 -0.13 0.00 0.00 32.58 27.60 2p2k s HIS 180 CO -0.02 -1.78 0.88 0.97 -2.47 0.00 0.00 174.74 172.32 2p2k h ILE 181 N 6.22 1.15 -3.82 0.89 6.09 -1.27 -3.44 117.51 123.31 2p2k h ILE 181 Ca 0.00 -2.95 -0.09 0.00 -1.37 0.00 0.00 64.86 60.44 2p2k h ILE 181 Cb 1.03 2.57 -0.13 0.00 0.47 0.00 0.00 36.82 40.77 2p2k h ILE 181 CO 1.26 0.66 -0.31 -1.66 -3.07 0.00 0.00 178.15 175.03 2p2k s TRP 182 N -2.64 0.29 -0.09 2.19 1.48 -1.18 -4.69 118.94 114.31 2p2k s TRP 182 Ca -0.03 -0.67 -0.09 0.00 -1.06 0.00 0.00 56.10 54.26 2p2k s TRP 182 Cb 0.09 -0.03 0.02 0.00 -1.16 0.00 0.00 33.47 32.39 2p2k s TRP 182 CO 0.82 -0.68 0.24 -2.00 -4.06 0.00 0.00 176.95 171.28 2p2k s GLU 183 N -3.93 0.30 0.19 3.25 -6.30 -1.26 -4.64 118.70 106.31 2p2k s GLU 183 Ca 0.13 0.31 0.03 0.00 -2.50 0.00 0.00 54.97 52.93 2p2k s GLU 183 Cb 0.04 0.14 0.51 0.00 0.00 0.00 0.00 34.13 34.81 2p2k s GLU 183 CO -0.04 -0.04 0.96 0.43 0.02 0.00 0.00 175.26 176.59 2p2k n SER 184 N 2.88 -0.04 -0.43 -1.70 7.64 -1.26 -1.34 113.62 119.37 2p2k n SER 184 Ca -0.13 1.03 0.11 0.00 1.01 0.00 0.00 58.87 60.89 2p2k n SER 184 Cb 0.58 -0.39 0.02 0.00 -1.01 0.00 0.00 64.21 63.41 2p2k n SER 184 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2p2k n SER 185 N -4.74 1.85 -4.66 6.43 2.88 -1.26 -4.90 113.62 109.22 2p2k n SER 185 Ca 0.15 -1.41 -0.43 0.00 -1.33 0.00 0.00 58.87 55.85 2p2k n SER 185 Cb 0.51 0.49 -0.02 0.00 -0.75 0.00 0.00 64.21 64.44 2p2k n SER 185 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2p2k s ALA 186 N -2.53 3.68 0.22 -1.46 0.00 -0.45 -4.63 121.76 116.59 2p2k s ALA 186 Ca 0.18 0.27 0.07 0.00 0.00 0.00 0.00 51.96 52.48 2p2k s ALA 186 Cb 0.18 -3.58 0.18 0.00 0.00 0.00 0.00 23.12 19.90 2p2k s ALA 186 CO 0.60 -1.10 1.51 -0.24 0.00 0.00 0.00 175.76 176.52 2p2k h VAL 187 N 5.47 1.49 -3.39 0.00 3.04 0.38 -3.43 116.25 119.81 2p2k h VAL 187 Ca -0.21 -2.39 -0.46 0.00 -1.01 0.00 0.00 66.70 62.63 2p2k h VAL 187 Cb 1.07 2.29 -0.35 0.00 -2.01 0.00 0.00 31.29 32.30 2p2k h VAL 187 CO 0.98 0.69 -0.79 -0.69 -1.01 0.00 0.00 177.57 176.75 2p2k s VAL 188 N -3.42 0.77 -0.50 1.51 1.01 -1.04 -4.79 120.40 113.95 2p2k s VAL 188 Ca -0.02 -0.23 0.08 0.00 0.00 0.00 0.00 61.98 61.81 2p2k s VAL 188 Cb 0.12 -0.77 0.29 0.00 0.00 0.00 0.00 36.38 36.01 2p2k s VAL 188 CO 0.79 0.29 0.71 0.00 0.00 0.00 0.00 175.10 176.89 2p2k n ALA 189 N 4.22 3.25 -2.73 5.51 0.00 -1.26 -0.19 120.51 129.32 2p2k n ALA 189 Ca -0.21 -4.05 -0.24 0.00 0.00 0.00 0.00 53.44 48.94 2p2k n ALA 189 Cb 0.51 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 19.10 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 -2.24 6.32 0.12 0.00 1.04 -0.76 -4.44 113.70 113.74 2p2k s SER 190 Ca 0.40 0.38 -0.14 0.00 0.48 0.00 0.00 55.95 57.07 2p2k s SER 190 Cb 0.22 -2.00 0.02 0.00 0.10 0.00 0.00 66.02 64.36 2p2k s SER 190 CO -0.08 -0.21 0.35 0.72 0.98 0.00 0.00 173.24 175.00 2p2k s PHE 191 N -2.18 -0.10 0.05 5.02 -0.12 -0.79 -0.98 117.98 118.88 2p2k s PHE 191 Ca 0.39 -0.25 -0.03 0.00 -0.05 0.00 0.00 56.93 56.99 2p2k s PHE 191 Cb -0.10 0.18 -0.02 0.00 -0.63 0.00 0.00 43.02 42.44 2p2k s PHE 191 CO 0.33 -0.67 0.03 0.16 -0.05 0.00 0.00 175.22 175.02 2p2k s ASP 192 N -2.82 0.32 0.00 1.98 -4.77 0.01 -0.35 116.67 111.04 2p2k s ASP 192 Ca 0.04 -0.75 -0.01 0.00 -3.30 0.00 0.00 52.55 48.53 2p2k s ASP 192 Cb 0.03 0.20 -0.01 0.00 -1.09 0.00 0.00 42.92 42.05 2p2k s ASP 192 CO -0.11 -0.53 0.02 0.00 0.70 0.00 0.00 175.17 175.24 2p2k s ALA 193 N -3.12 -0.03 -0.02 2.11 0.00 0.23 -0.94 121.76 119.99 2p2k s ALA 193 Ca -0.01 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 51.80 2p2k s ALA 193 Cb 0.02 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.17 2p2k s ALA 193 CO -0.07 -0.09 -0.09 0.99 0.00 0.00 0.00 175.76 176.50 2p2k s THR 194 N -0.65 0.74 0.03 0.00 2.01 -0.08 0.22 115.64 117.90 2p2k s THR 194 Ca -0.07 -0.37 -0.04 0.00 0.31 0.00 0.00 61.69 61.52 2p2k s THR 194 Cb -0.04 -0.64 -0.01 0.00 0.01 0.00 0.00 72.50 71.81 2p2k s THR 194 CO -0.00 0.22 0.05 0.72 -0.69 0.00 0.00 174.62 174.92 2p2k s PHE 195 N -0.01 0.23 0.08 4.92 -0.71 -0.25 -0.05 117.98 122.18 2p2k s PHE 195 Ca 0.00 -0.52 0.08 0.00 -1.04 0.00 0.00 56.93 55.46 2p2k s PHE 195 Cb -0.06 -0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.55 2p2k s PHE 195 CO -0.00 -0.30 -0.18 0.95 -1.34 0.00 0.00 175.22 174.35 2p2k s THR 196 N -2.22 2.85 0.06 -4.49 -4.23 -0.37 -0.05 115.64 107.20 2p2k s THR 196 Ca -0.08 -1.33 -0.11 0.00 -1.18 0.00 0.00 61.69 58.99 2p2k s THR 196 Cb -0.04 -2.26 0.01 0.00 1.34 0.00 0.00 72.50 71.56 2p2k s THR 196 CO -0.03 0.22 0.24 0.72 -0.54 0.00 0.00 174.62 175.24 2p2k s PHE 197 N -1.04 0.01 -0.24 3.99 -0.12 -0.20 -0.87 117.98 119.51 2p2k s PHE 197 Ca 0.16 -0.27 -0.01 0.00 -0.05 0.00 0.00 56.93 56.76 2p2k s PHE 197 Cb -0.11 0.02 0.07 0.00 -0.63 0.00 0.00 43.02 42.38 2p2k s PHE 197 CO 0.08 -0.51 0.04 -1.17 -0.05 0.00 0.00 175.22 173.61 2p2k s LEU 198 N -2.35 1.82 -0.29 -1.99 0.20 0.15 -0.79 118.68 115.43 2p2k s LEU 198 Ca -0.02 -1.17 -0.09 0.00 0.69 0.00 0.00 54.13 53.54 2p2k s LEU 198 Cb 0.01 -0.80 -0.02 0.00 -0.43 0.00 0.00 46.19 44.94 2p2k s LEU 198 CO -0.06 -0.33 0.14 -0.63 -0.29 0.00 0.00 176.35 175.18 2p2k s ILE 199 N 1.68 4.69 -0.04 6.68 1.01 -1.26 -1.91 121.20 132.06 2p2k s ILE 199 Ca 0.02 -0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.48 2p2k s ILE 199 Cb -0.17 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 38.99 2p2k s ILE 199 CO -0.13 0.18 -0.13 -0.75 0.00 0.00 0.00 174.94 174.10 2p2k s LYS 200 N 1.65 1.45 -0.06 2.79 2.20 -1.24 -0.76 119.74 125.76 2p2k s LYS 200 Ca 0.06 -0.46 -0.01 0.00 -0.36 0.00 0.00 55.97 55.20 2p2k s LYS 200 Cb -0.16 -1.27 0.03 0.00 -1.51 0.00 0.00 37.83 34.91 2p2k s LYS 200 CO 0.07 0.16 0.01 0.45 -0.36 0.00 0.00 175.35 175.67 2p2k s SER 201 N 0.20 1.32 0.36 1.43 0.15 -1.26 -0.09 113.70 115.82 2p2k s SER 201 Ca -0.05 -0.05 0.19 0.00 0.70 0.00 0.00 55.95 56.74 2p2k s SER 201 Cb -0.11 -0.36 0.43 0.00 -1.71 0.00 0.00 66.02 64.27 2p2k s SER 201 CO 0.02 -0.18 1.61 1.55 1.20 0.00 0.00 173.24 177.44 2p2k h PRO 202 N 8.14 0.00 0.00 5.44 0.13 -1.95 -3.47 132.00 140.29 2p2k h PRO 202 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2p2k h PRO 202 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2p2k h PRO 202 CO 0.28 0.34 0.00 -0.25 -0.23 0.00 0.00 178.00 178.14 2p2k n ASP 203 N -3.28 -0.80 0.12 1.44 10.43 -1.26 -4.97 116.55 118.23 2p2k n ASP 203 Ca 0.01 0.00 -0.23 0.00 2.57 0.00 0.00 54.79 57.14 2p2k n ASP 203 Cb 0.59 -0.20 -0.15 0.00 1.84 0.00 0.00 41.12 43.20 2p2k n ASP 203 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 2p2k h SER 204 N -1.15 0.72 -4.62 -2.24 0.02 -1.96 -3.47 113.55 100.87 2p2k h SER 204 Ca 0.00 -0.85 -0.17 0.00 -0.84 0.00 0.00 61.79 59.93 2p2k h SER 204 Cb 0.00 -0.24 -0.23 0.00 0.14 0.00 0.00 62.40 62.08 2p2k h SER 204 CO 0.00 1.68 -0.59 -1.00 -1.14 0.00 0.00 176.83 175.78 2p2k s HIS 205 N -2.60 0.07 0.43 3.45 3.76 -1.26 -5.16 115.29 113.98 2p2k s HIS 205 Ca -0.10 -0.14 -0.23 0.00 -0.15 0.00 0.00 55.06 54.44 2p2k s HIS 205 Cb 0.05 -0.07 -0.08 0.00 1.11 0.00 0.00 32.58 33.59 2p2k s HIS 205 CO 0.91 -0.19 1.09 -1.25 -0.85 0.00 0.00 174.74 174.46 2p2k s PRO 206 N -0.98 3.96 0.10 8.40 0.04 -1.26 -3.85 135.00 141.41 2p2k s PRO 206 Ca -0.11 1.60 -0.22 0.00 0.04 0.00 0.00 61.00 62.32 2p2k s PRO 206 Cb -0.06 -2.44 0.06 0.00 0.04 0.00 0.00 34.50 32.09 2p2k s PRO 206 CO 0.00 -0.33 0.53 0.00 0.04 0.00 0.00 177.00 177.24 2p2k s ALA 207 N -1.65 -1.36 -0.02 8.56 0.00 -1.20 -4.25 121.76 121.84 2p2k s ALA 207 Ca 0.61 0.45 0.09 0.00 0.00 0.00 0.00 51.96 53.11 2p2k s ALA 207 Cb -0.24 0.62 -0.14 0.00 0.00 0.00 0.00 23.12 23.36 2p2k s ALA 207 CO 0.30 -0.63 0.18 -0.25 0.00 0.00 0.00 175.76 175.36 2p2k n ASP 208 N 0.00 2.87 0.00 0.00 8.00 0.80 -2.08 116.55 126.14 2p2k n ASP 208 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 2p2k n ASP 208 Cb 0.63 1.31 0.00 0.00 -0.02 0.00 0.00 41.12 43.04 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 2.05 0.37 3.07 0.44 0.00 -1.19 -1.74 105.19 108.18 2p2k n GLY 209 Ca -0.04 -1.84 -0.20 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 -1.20 0.88 -0.00 -0.61 1.01 -0.34 -2.49 121.20 118.44 2p2k s ILE 210 Ca 0.00 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.11 2p2k s ILE 210 Cb 0.00 -0.76 -0.01 0.00 0.01 0.00 0.00 42.46 41.70 2p2k s ILE 210 CO 0.00 0.17 -0.13 0.00 0.00 0.00 0.00 174.94 174.98 2p2k s ALA 211 N -0.41 1.09 0.05 9.38 0.00 0.11 0.11 121.76 132.10 2p2k s ALA 211 Ca 0.03 -0.60 -0.24 0.00 0.00 0.00 0.00 51.96 51.16 2p2k s ALA 211 Cb -0.05 -0.26 -0.06 0.00 0.00 0.00 0.00 23.12 22.75 2p2k s ALA 211 CO -0.00 0.26 0.71 0.12 0.00 0.00 0.00 175.76 176.85 2p2k s PHE 212 N -0.39 3.76 0.05 0.00 5.36 -0.05 0.20 117.98 126.90 2p2k s PHE 212 Ca 0.04 1.42 -0.03 0.00 -0.96 0.00 0.00 56.93 57.41 2p2k s PHE 212 Cb -0.05 -2.74 -0.03 0.00 -0.34 0.00 0.00 43.02 39.86 2p2k s PHE 212 CO -0.00 0.35 0.02 -0.59 -1.46 0.00 0.00 175.22 173.54 2p2k s PHE 213 N -0.34 0.39 -0.09 10.12 -0.71 0.17 -0.95 117.98 126.58 2p2k s PHE 213 Ca 0.36 -0.86 0.01 0.00 -1.04 0.00 0.00 56.93 55.40 2p2k s PHE 213 Cb -0.20 -0.29 0.02 0.00 -1.21 0.00 0.00 43.02 41.34 2p2k s PHE 213 CO 0.22 -0.38 -0.11 0.42 -1.34 0.00 0.00 175.22 174.03 2p2k s ILE 214 N -3.45 1.14 0.26 -4.49 1.01 0.17 -0.54 121.20 115.29 2p2k s ILE 214 Ca 0.02 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.26 2p2k s ILE 214 Cb 0.04 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 2p2k s ILE 214 CO -0.08 0.37 0.21 -0.94 0.00 0.00 0.00 174.94 174.49 2p2k s SER 215 N 1.02 0.79 0.71 3.58 1.04 -0.38 -0.54 113.70 119.91 2p2k s SER 215 Ca -0.08 -1.54 -0.16 0.00 0.48 0.00 0.00 55.95 54.66 2p2k s SER 215 Cb -0.15 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.45 2p2k s SER 215 CO -0.01 -0.95 1.09 -0.46 0.98 0.00 0.00 173.24 173.90 2p2k n ASN 216 N -0.82 1.02 -0.29 7.02 6.94 -1.18 -0.94 115.26 127.01 2p2k n ASN 216 Ca 0.04 0.71 0.10 0.00 -0.02 0.00 0.00 54.58 55.41 2p2k n ASN 216 Cb 0.64 -1.46 0.34 0.00 -2.36 0.00 0.00 39.78 36.94 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 -0.10 0.88 -0.35 1.53 2.04 -1.83 -1.36 117.51 118.32 2p2k h ILE 217 Ca -0.48 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.11 2p2k h ILE 217 Cb 1.33 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2p2k h ILE 217 CO 0.49 0.14 0.00 -0.90 0.00 0.00 0.00 178.15 177.88 2p2k n ASP 218 N -4.56 3.87 -4.73 1.72 5.75 -1.26 -4.64 116.55 112.70 2p2k n ASP 218 Ca 0.17 -2.56 -0.42 0.00 -0.01 0.00 0.00 54.79 51.97 2p2k n ASP 218 Cb 0.41 -0.61 -0.03 0.00 -1.03 0.00 0.00 41.12 39.86 2p2k n ASP 218 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2p2k s SER 219 N -0.49 6.48 0.22 -1.12 0.15 -0.51 -5.01 113.70 113.42 2p2k s SER 219 Ca 0.33 2.76 0.10 0.00 0.70 0.00 0.00 55.95 59.84 2p2k s SER 219 Cb 0.25 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.91 2p2k s SER 219 CO 0.10 -0.88 -0.18 -0.55 1.20 0.00 0.00 173.24 172.92 2p2k s SER 220 N 1.01 3.06 0.07 5.45 0.15 -1.26 -5.06 113.70 117.12 2p2k s SER 220 Ca 0.70 -0.97 -0.32 0.00 0.70 0.00 0.00 55.95 56.07 2p2k s SER 220 Cb -0.46 -0.21 -0.11 0.00 -1.71 0.00 0.00 66.02 63.52 2p2k s SER 220 CO 0.35 -0.03 1.85 -0.38 1.20 0.00 0.00 173.24 176.22 2p2k n ILE 221 N -0.23 0.45 -2.22 6.45 5.41 -1.26 -4.92 119.36 123.03 2p2k n ILE 221 Ca -0.09 -0.08 -0.37 0.00 1.00 0.00 0.00 62.75 63.21 2p2k n ILE 221 Cb 0.59 -2.05 -0.00 0.00 -0.71 0.00 0.00 39.64 37.46 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 3.13 3.67 0.33 0.38 0.02 -1.26 -4.94 135.00 136.33 2p2k s PRO 222 Ca 0.85 1.79 -0.29 0.00 0.02 0.00 0.00 61.00 63.37 2p2k s PRO 222 Cb -0.53 -2.35 -0.11 0.00 0.02 0.00 0.00 34.50 31.52 2p2k s PRO 222 CO 0.41 -0.63 1.54 0.45 -0.33 0.00 0.00 177.00 178.44 2p2k s SER 223 N -1.37 6.37 -0.80 2.53 0.15 -1.26 -3.11 113.70 116.21 2p2k s SER 223 Ca 0.65 2.99 -0.01 0.00 0.70 0.00 0.00 55.95 60.29 2p2k s SER 223 Cb -0.29 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.37 2p2k s SER 223 CO 0.35 -0.89 0.67 0.61 1.20 0.00 0.00 173.24 175.18 2p2k n GLY 224 N 1.34 -0.08 0.19 9.45 0.00 -1.26 -4.74 105.19 110.09 2p2k n GLY 224 Ca 0.05 -0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.32 1.40 -3.46 1.61 3.41 -1.18 -4.80 113.62 108.27 2p2k n SER 225 Ca -0.17 -2.47 -0.29 0.00 -0.26 0.00 0.00 58.87 55.68 2p2k n SER 225 Cb 0.61 -0.28 0.25 0.00 -0.26 0.00 0.00 64.21 64.53 2p2k n SER 225 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2p2k n THR 226 N -0.77 0.00 -3.37 6.66 -2.24 -1.26 -0.03 114.28 113.27 2p2k n THR 226 Ca 0.08 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2p2k n THR 226 Cb 0.60 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 2p2k n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2p2k n GLY 227 N -4.66 3.17 0.19 3.38 0.00 -0.24 -3.30 105.19 103.72 2p2k n GLY 227 Ca 0.14 -0.29 0.14 0.00 0.00 0.00 0.00 46.02 46.02 2p2k n GLY 227 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2p2k h ARG 228 N 0.00 0.00 -0.00 1.61 0.11 -1.89 -1.46 114.38 112.74 2p2k h ARG 228 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2p2k h ARG 228 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2p2k h ARG 228 CO 0.00 0.00 -0.12 1.28 0.10 0.00 0.00 179.97 181.23 2p2k n LEU 229 N -2.51 0.38 -1.66 0.08 4.77 -1.21 -4.93 117.00 111.91 2p2k n LEU 229 Ca 0.00 0.09 -0.20 0.00 -0.03 0.00 0.00 56.01 55.87 2p2k n LEU 229 Cb 0.17 -0.24 -0.08 0.00 -2.33 0.00 0.00 43.42 40.94 2p2k n LEU 229 CO 0.18 0.07 -0.20 0.18 -1.33 0.00 0.00 177.39 176.29 2p2k n LEU 230 N -1.10 -1.54 0.00 2.23 4.77 -0.55 -0.24 117.00 120.56 2p2k n LEU 230 Ca 0.13 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 2p2k n LEU 230 Cb 0.29 -2.81 0.00 0.00 -2.33 0.00 0.00 43.42 38.56 2p2k n LEU 230 CO 0.25 -0.95 0.00 0.61 -1.33 0.00 0.00 177.39 175.97 2p2k n GLY 231 N -0.55 0.34 0.10 -0.72 0.00 0.95 -3.91 105.19 101.41 2p2k n GLY 231 Ca -0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 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 2.48 -4.30 0.99 4.32 0.66 -4.32 117.00 116.84 2p2k n LEU 232 Ca 0.00 -0.10 -0.24 0.00 -0.02 0.00 0.00 56.01 55.66 2p2k n LEU 232 Cb 0.17 -0.55 -0.12 0.00 -1.62 0.00 0.00 43.42 41.29 2p2k n LEU 232 CO 0.00 0.79 -0.51 -0.36 -1.22 0.00 0.00 177.39 176.08 2p2k s PHE 233 N -2.42 1.82 -0.26 -1.77 0.08 -1.08 -4.75 117.98 109.60 2p2k s PHE 233 Ca -0.25 -0.43 0.24 0.00 0.12 0.00 0.00 56.93 56.61 2p2k s PHE 233 Cb 0.07 -0.98 0.51 0.00 -0.57 0.00 0.00 43.02 42.05 2p2k s PHE 233 CO 0.52 0.24 1.66 -1.00 -0.10 0.00 0.00 175.22 176.54 2p2k h PRO 234 N 3.91 0.00 -3.31 0.24 0.13 -1.89 -3.41 132.00 127.67 2p2k h PRO 234 Ca -0.46 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.62 2p2k h PRO 234 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 2p2k h PRO 234 CO 0.42 0.10 0.12 0.16 -0.23 0.00 0.00 178.00 178.57 2p2k s ASP 235 N -6.16 0.11 -0.21 1.44 1.47 -1.26 -4.85 116.67 107.20 2p2k s ASP 235 Ca 0.05 -1.07 0.15 0.00 1.18 0.00 0.00 52.55 52.86 2p2k s ASP 235 Cb 0.06 0.75 0.74 0.00 -0.34 0.00 0.00 42.92 44.14 2p2k s ASP 235 CO 0.66 -1.47 1.66 0.00 0.68 0.00 0.00 175.17 176.71 2p2k n ALA 236 N -0.50 3.61 0.80 2.11 0.00 -1.26 -4.67 120.51 120.60 2p2k n ALA 236 Ca -0.05 -2.00 0.06 0.00 0.00 0.00 0.00 53.44 51.46 2p2k n ALA 236 Cb 0.60 -1.01 0.38 0.00 0.00 0.00 0.00 19.45 19.42 2p2k n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59