#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jec s ALA 3 N 0.00 2.26 0.93 -5.12 0.00 -1.26 -5.01 121.76 113.56 2jec s ALA 3 Ca 0.00 0.88 -0.10 0.00 0.00 0.00 0.00 51.96 52.74 2jec s ALA 3 Cb 0.00 -3.45 0.14 0.00 0.00 0.00 0.00 23.12 19.81 2jec s ALA 3 CO 0.00 -1.65 1.08 -0.25 0.00 0.00 0.00 175.76 174.94 2jec n ASP 4 N -2.41 0.09 -4.38 0.00 8.00 -1.26 -5.03 116.55 111.56 2jec n ASP 4 Ca 0.13 0.40 -0.36 0.00 0.71 0.00 0.00 54.79 55.68 2jec n ASP 4 Cb 0.50 -1.45 -0.13 0.00 -0.02 0.00 0.00 41.12 40.02 2jec n ASP 4 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2jec s THR 5 N -2.61 3.87 -0.07 -3.53 2.01 -1.26 -5.02 115.64 109.02 2jec s THR 5 Ca 0.66 -0.32 0.04 0.00 0.31 0.00 0.00 61.69 62.38 2jec s THR 5 Cb -0.23 -2.79 -0.00 0.00 0.01 0.00 0.00 72.50 69.49 2jec s THR 5 CO 0.59 0.38 -0.21 -0.63 -0.69 0.00 0.00 174.62 174.06 2jec s ILE 6 N 1.55 1.74 -0.07 1.82 -1.09 -1.26 -3.12 121.20 120.77 2jec s ILE 6 Ca 0.06 -0.86 0.05 0.00 -2.23 0.00 0.00 60.65 57.67 2jec s ILE 6 Cb -0.15 -1.50 -0.01 0.00 -1.58 0.00 0.00 42.46 39.22 2jec s ILE 6 CO 0.00 0.49 -0.23 -0.69 -1.23 0.00 0.00 174.94 173.28 2jec s VAL 7 N 0.19 1.95 0.05 2.92 1.01 -0.72 -0.26 120.40 125.55 2jec s VAL 7 Ca -0.10 -0.99 -0.10 0.00 0.00 0.00 0.00 61.98 60.78 2jec s VAL 7 Cb -0.15 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.57 2jec s VAL 7 CO 0.05 0.54 0.21 0.00 0.00 0.00 0.00 175.10 175.91 2jec s ALA 8 N 0.07 -0.39 -0.23 5.51 0.00 0.29 -0.42 121.76 126.59 2jec s ALA 8 Ca -0.09 -0.31 -0.05 0.00 0.00 0.00 0.00 51.96 51.51 2jec s ALA 8 Cb -0.15 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 2jec s ALA 8 CO 0.05 -0.41 -0.01 0.08 0.00 0.00 0.00 175.76 175.47 2jec s VAL 9 N -2.88 3.58 -0.14 0.00 1.01 0.39 -0.48 120.40 121.89 2jec s VAL 9 Ca -0.03 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 2jec s VAL 9 Cb 0.00 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 2jec s VAL 9 CO -0.06 0.39 0.04 -1.83 0.00 0.00 0.00 175.10 173.64 2jec s GLU 10 N 1.50 3.52 -0.69 2.72 -1.05 -0.18 -1.84 118.70 122.68 2jec s GLU 10 Ca 0.06 -0.36 -0.16 0.00 -0.15 0.00 0.00 54.97 54.36 2jec s GLU 10 Cb -0.15 -3.02 0.16 0.00 -0.44 0.00 0.00 34.13 30.69 2jec s GLU 10 CO -0.02 0.49 0.67 -0.51 0.95 0.00 0.00 175.26 176.84 2jec s LEU 11 N -0.26 6.27 -0.46 1.83 1.43 0.11 -1.52 118.68 126.08 2jec s LEU 11 Ca 0.07 -2.13 -0.15 0.00 -1.03 0.00 0.00 54.13 50.89 2jec s LEU 11 Cb -0.12 -2.23 0.07 0.00 0.03 0.00 0.00 46.19 43.93 2jec s LEU 11 CO 0.02 -0.78 0.38 -0.62 0.23 0.00 0.00 176.35 175.57 2jec s ASP 12 N 3.01 6.12 0.29 2.29 3.68 -0.27 -1.54 116.67 130.25 2jec s ASP 12 Ca 0.12 -1.29 0.19 0.00 2.13 0.00 0.00 52.55 53.70 2jec s ASP 12 Cb -0.20 -2.17 0.12 0.00 -1.45 0.00 0.00 42.92 39.22 2jec s ASP 12 CO -0.02 -0.62 1.35 0.77 0.13 0.00 0.00 175.17 176.78 2jec h SER 13 N 8.73 0.00 -3.28 -0.34 4.64 -1.66 -1.66 113.55 119.98 2jec h SER 13 Ca -0.28 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.37 2jec h SER 13 Cb 1.11 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.88 2jec h SER 13 CO 0.86 0.25 -0.79 -0.47 -0.87 0.00 0.00 176.83 175.81 2jec s TYR 14 N -3.11 2.90 -0.40 4.77 5.04 -1.24 -4.43 117.35 120.89 2jec s TYR 14 Ca 0.03 -1.38 -0.29 0.00 -2.44 0.00 0.00 57.07 52.99 2jec s TYR 14 Cb 0.07 -2.01 0.01 0.00 0.35 0.00 0.00 41.96 40.38 2jec s TYR 14 CO 0.74 -0.70 1.44 -2.14 -1.34 0.00 0.00 175.55 173.54 2jec s PRO 15 N 1.36 3.58 -1.12 4.97 0.02 -1.26 -4.93 135.00 137.62 2jec s PRO 15 Ca 0.04 1.01 -0.09 0.00 0.02 0.00 0.00 61.00 61.98 2jec s PRO 15 Cb -0.14 -4.03 0.28 0.00 0.02 0.00 0.00 34.50 30.63 2jec s PRO 15 CO -0.08 -1.56 1.11 -0.80 -0.33 0.00 0.00 177.00 175.35 2jec s ASN 16 N 4.04 7.32 0.48 2.53 -0.87 -1.26 -4.90 114.94 122.27 2jec s ASN 16 Ca 0.63 -3.61 0.32 0.00 -1.57 0.00 0.00 52.86 48.63 2jec s ASN 16 Cb -0.15 -2.21 1.53 0.00 -0.02 0.00 0.00 41.25 40.41 2jec s ASN 16 CO 0.32 -0.28 1.98 0.71 -2.57 0.00 0.00 177.10 177.25 2jec h THR 17 N 3.65 0.00 0.00 1.60 1.35 -1.86 -1.71 112.91 115.94 2jec h THR 17 Ca 0.18 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 2jec h THR 17 Cb 0.87 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 2jec h THR 17 CO 1.02 0.00 0.00 -2.24 -0.25 0.00 0.00 175.52 174.05 2jec h ASP 18 N 0.00 0.00 -0.05 5.36 2.03 -1.90 -3.12 116.42 118.74 2jec h ASP 18 Ca 0.00 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.25 2jec h ASP 18 Cb 0.26 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.71 2jec h ASP 18 CO 0.00 0.00 -0.56 2.30 -1.03 0.00 0.00 179.24 179.95 2jec n ILE 19 N -2.71 2.09 -0.34 4.15 -5.35 -0.67 -4.99 119.36 111.53 2jec n ILE 19 Ca 0.02 -3.17 0.00 0.00 -0.27 0.00 0.00 62.75 59.34 2jec n ILE 19 Cb 0.34 -0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.03 2jec n ILE 19 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jec n GLY 20 N -0.99 0.67 3.77 3.28 0.00 -1.18 -4.69 105.19 106.05 2jec n GLY 20 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 2jec n GLY 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jec s ASP 21 N -2.98 6.11 0.86 1.61 1.01 -1.02 -4.90 116.67 117.37 2jec s ASP 21 Ca 0.00 2.66 -0.11 0.00 0.71 0.00 0.00 52.55 55.81 2jec s ASP 21 Cb 0.00 -2.64 0.12 0.00 1.01 0.00 0.00 42.92 41.41 2jec s ASP 21 CO 0.00 -0.99 1.16 -2.16 0.21 0.00 0.00 175.17 173.40 2jec s PRO 22 N -2.40 1.33 -0.09 8.23 0.04 -1.26 -4.22 135.00 136.63 2jec s PRO 22 Ca 0.60 1.60 -0.04 0.00 0.04 0.00 0.00 61.00 63.20 2jec s PRO 22 Cb -0.38 -1.76 -0.15 0.00 0.04 0.00 0.00 34.50 32.25 2jec s PRO 22 CO 0.48 -2.41 3.16 -1.71 0.04 0.00 0.00 177.00 176.56 2jec n ASN 23 N -3.83 5.52 -3.53 6.66 4.05 -1.26 -4.65 115.26 118.22 2jec n ASN 23 Ca 0.12 -2.61 -0.10 0.00 0.45 0.00 0.00 54.58 52.44 2jec n ASN 23 Cb 0.52 -1.33 -0.03 0.00 1.23 0.00 0.00 39.78 40.17 2jec n ASN 23 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 2jec s TYR 24 N 0.27 -0.37 0.44 1.20 -0.85 -1.26 -5.01 117.35 111.78 2jec s TYR 24 Ca 0.53 0.39 -0.25 0.00 -0.52 0.00 0.00 57.07 57.23 2jec s TYR 24 Cb 0.28 0.50 -0.09 0.00 0.38 0.00 0.00 41.96 43.03 2jec s TYR 24 CO -0.04 -0.48 1.26 -2.30 -1.52 0.00 0.00 175.55 172.47 2jec n PRO 25 N 0.13 1.84 -3.66 -3.49 -0.02 -1.26 -4.61 135.00 123.93 2jec n PRO 25 Ca -0.10 0.66 -0.11 0.00 -2.02 0.00 0.00 63.50 61.93 2jec n PRO 25 Cb 0.60 -2.38 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 2jec n PRO 25 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2jec s HIS 26 N -1.22 -0.19 0.14 6.00 -3.43 -0.63 -1.08 115.29 114.88 2jec s HIS 26 Ca 0.63 -0.07 0.03 0.00 -0.80 0.00 0.00 55.06 54.85 2jec s HIS 26 Cb -0.50 0.22 -0.04 0.00 -1.43 0.00 0.00 32.58 30.83 2jec s HIS 26 CO 0.57 -0.65 0.20 0.96 -2.00 0.00 0.00 174.74 173.82 2jec s ILE 27 N -3.44 4.94 0.10 -5.38 -4.36 -0.09 -1.12 121.20 111.85 2jec s ILE 27 Ca 0.01 -0.81 -0.16 0.00 -0.26 0.00 0.00 60.65 59.43 2jec s ILE 27 Cb 0.01 -3.50 0.03 0.00 1.25 0.00 0.00 42.46 40.26 2jec s ILE 27 CO -0.09 -0.05 0.39 -0.83 0.24 0.00 0.00 174.94 174.60 2jec s GLY 28 N -3.01 -0.25 -0.21 6.27 0.00 -0.58 -1.06 107.32 108.47 2jec s GLY 28 Ca 0.33 0.01 -0.03 0.00 0.00 0.00 0.00 44.72 45.02 2jec s GLY 28 CO 0.26 -0.25 -0.05 -0.42 0.00 0.00 0.00 173.10 172.64 2jec s ILE 29 N -3.48 3.31 -0.23 0.90 1.01 -0.55 -1.02 121.20 121.14 2jec s ILE 29 Ca 0.01 -0.52 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 2jec s ILE 29 Cb 0.01 -2.50 -0.01 0.00 0.01 0.00 0.00 42.46 39.97 2jec s ILE 29 CO -0.10 0.43 -0.00 -1.81 0.00 0.00 0.00 174.94 173.47 2jec s ASP 30 N 1.39 4.59 -0.38 3.58 1.01 0.37 -0.23 116.67 127.01 2jec s ASP 30 Ca 0.05 -0.37 0.02 0.00 0.71 0.00 0.00 52.55 52.95 2jec s ASP 30 Cb -0.14 -1.80 0.11 0.00 1.01 0.00 0.00 42.92 42.10 2jec s ASP 30 CO -0.03 -0.04 0.12 -0.63 0.21 0.00 0.00 175.17 174.80 2jec s ILE 31 N 1.52 2.58 -1.75 0.77 -1.09 -1.26 -0.55 121.20 121.42 2jec s ILE 31 Ca 0.06 -2.39 0.00 0.00 -2.23 0.00 0.00 60.65 56.08 2jec s ILE 31 Cb -0.15 -2.85 0.00 0.00 -1.58 0.00 0.00 42.46 37.88 2jec s ILE 31 CO -0.01 -0.65 0.00 0.29 -1.23 0.00 0.00 174.94 173.34 2jec n LYS 32 N 4.20 -1.26 -3.58 2.79 5.02 0.64 -4.94 118.16 121.03 2jec n LYS 32 Ca 0.03 1.08 -0.13 0.00 -2.02 0.00 0.00 58.31 57.26 2jec n LYS 32 Cb 0.41 -5.33 -0.06 0.00 -0.02 0.00 0.00 35.03 30.03 2jec n LYS 32 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2jec s SER 33 N -2.76 -0.55 0.48 4.39 0.15 -1.26 -4.95 113.70 109.21 2jec s SER 33 Ca 0.00 0.78 0.23 0.00 0.70 0.00 0.00 55.95 57.66 2jec s SER 33 Cb 0.00 0.70 1.24 0.00 -1.71 0.00 0.00 66.02 66.25 2jec s SER 33 CO 0.00 -0.37 2.01 -0.29 1.20 0.00 0.00 173.24 175.79 2jec h ILE 34 N 3.16 0.75 -1.80 6.45 6.09 -1.85 -3.39 117.51 126.93 2jec h ILE 34 Ca -0.25 -0.68 -0.55 0.00 -1.37 0.00 0.00 64.86 62.01 2jec h ILE 34 Cb 1.16 1.42 -0.08 0.00 0.47 0.00 0.00 36.82 39.78 2jec h ILE 34 CO 0.25 0.17 1.23 -0.13 -3.07 0.00 0.00 178.15 176.59 2jec s ARG 35 N -4.24 3.26 0.33 2.19 0.52 -1.26 -4.96 118.95 114.80 2jec s ARG 35 Ca -0.03 -0.50 -0.27 0.00 -0.52 0.00 0.00 55.73 54.41 2jec s ARG 35 Cb 0.14 -4.67 -0.13 0.00 0.52 0.00 0.00 34.95 30.81 2jec s ARG 35 CO 0.63 -2.27 1.04 0.43 0.02 0.00 0.00 175.30 175.14 2jec n SER 36 N 9.67 1.45 0.23 0.23 7.64 -1.26 -4.78 113.62 126.79 2jec n SER 36 Ca 0.17 1.14 0.13 0.00 1.01 0.00 0.00 58.87 61.32 2jec n SER 36 Cb 0.50 -1.33 0.38 0.00 -1.01 0.00 0.00 64.21 62.75 2jec n SER 36 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2jec h LYS 37 N 1.94 0.00 -2.20 1.43 1.79 -0.95 -3.45 116.57 115.13 2jec h LYS 37 Ca -0.42 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.00 2jec h LYS 37 Cb 1.33 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.76 2jec h LYS 37 CO 0.60 0.08 0.00 0.45 -1.08 0.00 0.00 179.45 179.50 2jec s SER 38 N -6.05 -0.71 0.15 0.86 0.15 -1.23 -5.01 113.70 101.87 2jec s SER 38 Ca 0.04 1.30 0.03 0.00 0.70 0.00 0.00 55.95 58.01 2jec s SER 38 Cb 0.07 1.27 -0.05 0.00 -1.71 0.00 0.00 66.02 65.61 2jec s SER 38 CO 0.63 -0.22 -0.05 0.42 1.20 0.00 0.00 173.24 175.21 2jec s THR 39 N 0.68 0.90 -0.03 6.45 -4.23 -1.26 -1.49 115.64 116.66 2jec s THR 39 Ca -0.03 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.43 2jec s THR 39 Cb -0.05 -1.95 0.01 0.00 1.34 0.00 0.00 72.50 71.85 2jec s THR 39 CO -0.04 -0.65 0.12 0.00 -0.54 0.00 0.00 174.62 173.51 2jec s ALA 40 N -3.50 -0.29 0.19 3.99 0.00 -0.23 -4.98 121.76 116.94 2jec s ALA 40 Ca 0.19 0.14 -0.32 0.00 0.00 0.00 0.00 51.96 51.97 2jec s ALA 40 Cb 0.05 -0.09 -0.11 0.00 0.00 0.00 0.00 23.12 22.97 2jec s ALA 40 CO 0.01 -0.12 1.62 0.50 0.00 0.00 0.00 175.76 177.77 2jec s ARG 41 N -0.51 4.18 -0.25 0.00 3.52 -1.26 -0.92 118.95 123.71 2jec s ARG 41 Ca -0.06 2.46 -0.05 0.00 -0.13 0.00 0.00 55.73 57.95 2jec s ARG 41 Cb -0.04 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 30.24 2jec s ARG 41 CO 0.01 -0.65 0.00 -0.46 -0.81 0.00 0.00 175.30 173.39 2jec s TRP 42 N 1.02 3.06 -1.03 5.12 -0.00 -0.25 -4.78 118.94 122.08 2jec s TRP 42 Ca 0.71 -1.06 -0.19 0.00 -0.00 0.00 0.00 56.10 55.56 2jec s TRP 42 Cb -0.46 -2.16 0.11 0.00 -0.00 0.00 0.00 33.47 30.97 2jec s TRP 42 CO 0.33 -0.59 1.31 -0.80 -0.00 0.00 0.00 176.95 177.21 2jec s ASN 43 N 1.46 6.69 0.53 5.86 0.01 -1.26 -4.53 114.94 123.70 2jec s ASN 43 Ca 0.03 -2.09 -0.22 0.00 -0.71 0.00 0.00 52.86 49.87 2jec s ASN 43 Cb -0.16 -2.46 -0.05 0.00 0.41 0.00 0.00 41.25 38.99 2jec s ASN 43 CO -0.01 -1.13 1.36 -0.04 -1.51 0.00 0.00 177.10 175.77 2jec s MET 44 N 3.20 3.23 -0.70 -0.60 -1.94 -1.26 -4.98 119.30 116.26 2jec s MET 44 Ca 0.39 2.24 0.05 0.00 -1.71 0.00 0.00 55.69 56.66 2jec s MET 44 Cb -0.03 -2.31 0.17 0.00 2.01 0.00 0.00 34.83 34.68 2jec s MET 44 CO -0.07 -1.12 0.51 1.04 -0.01 0.00 0.00 175.02 175.37 2jec n GLN 45 N -0.91 1.83 -1.69 2.03 6.02 -1.26 -5.10 117.38 118.30 2jec n GLN 45 Ca 0.10 -4.46 -0.44 0.00 -0.01 0.00 0.00 57.00 52.18 2jec n GLN 45 Cb 0.45 -2.27 -0.03 0.00 1.02 0.00 0.00 30.24 29.41 2jec n GLN 45 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2jec n THR 46 N 1.92 0.59 -0.01 5.09 -1.04 -1.26 -1.37 114.28 118.20 2jec n THR 46 Ca 0.21 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 2jec n THR 46 Cb 0.36 -1.66 0.00 0.00 -1.82 0.00 0.00 70.33 67.21 2jec n THR 46 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jec n GLY 47 N 2.71 1.09 3.56 3.41 0.00 0.58 -4.98 105.19 111.56 2jec n GLY 47 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 2jec n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jec s LYS 48 N -0.63 2.07 -0.05 1.61 -0.14 -0.47 -4.98 119.74 117.14 2jec s LYS 48 Ca 0.00 -1.05 -0.30 0.00 -1.36 0.00 0.00 55.97 53.26 2jec s LYS 48 Cb 0.00 -2.27 -0.03 0.00 -1.68 0.00 0.00 37.83 33.84 2jec s LYS 48 CO 0.00 0.50 1.17 0.08 -0.76 0.00 0.00 175.35 176.34 2jec s VAL 49 N -1.20 4.32 0.30 3.17 1.01 -1.26 -4.47 120.40 122.26 2jec s VAL 49 Ca 0.21 1.64 0.09 0.00 0.00 0.00 0.00 61.98 63.91 2jec s VAL 49 Cb -0.11 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 2jec s VAL 49 CO 0.13 0.02 0.10 -0.83 0.00 0.00 0.00 175.10 174.51 2jec s GLY 50 N 1.38 1.75 -0.01 4.51 0.00 0.33 -4.35 107.32 110.93 2jec s GLY 50 Ca 0.55 -1.70 0.04 0.00 0.00 0.00 0.00 44.72 43.62 2jec s GLY 50 CO 0.22 -1.70 -0.13 -1.59 0.00 0.00 0.00 173.10 169.90 2jec s THR 51 N -2.34 1.07 -0.07 0.90 2.01 0.01 -1.29 115.64 115.93 2jec s THR 51 Ca 0.35 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 61.81 2jec s THR 51 Cb -0.05 -0.89 0.00 0.00 0.01 0.00 0.00 72.50 71.57 2jec s THR 51 CO 0.22 0.30 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.58 2jec s VAL 52 N -0.28 1.57 -0.07 3.82 1.01 -0.24 -1.34 120.40 124.87 2jec s VAL 52 Ca 0.05 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.32 2jec s VAL 52 Cb -0.06 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.95 2jec s VAL 52 CO -0.00 0.45 -0.23 -1.00 0.00 0.00 0.00 175.10 174.32 2jec s HIS 53 N 0.29 2.33 0.01 5.22 3.76 -0.18 -1.61 115.29 125.11 2jec s HIS 53 Ca -0.11 -0.79 0.05 0.00 -0.15 0.00 0.00 55.06 54.05 2jec s HIS 53 Cb -0.15 -1.55 -0.02 0.00 1.11 0.00 0.00 32.58 31.98 2jec s HIS 53 CO 0.05 -0.28 -0.15 0.42 -0.85 0.00 0.00 174.74 173.93 2jec s ILE 54 N 0.08 1.16 0.03 0.60 1.01 0.97 -0.85 121.20 124.20 2jec s ILE 54 Ca -0.09 -0.82 -0.19 0.00 0.00 0.00 0.00 60.65 59.55 2jec s ILE 54 Cb -0.15 -1.01 0.04 0.00 0.01 0.00 0.00 42.46 41.35 2jec s ILE 54 CO 0.05 0.18 0.44 -0.94 0.00 0.00 0.00 174.94 174.67 2jec s SER 55 N -0.74 -0.32 -0.03 3.58 1.04 -0.68 -0.46 113.70 116.08 2jec s SER 55 Ca 0.04 0.08 -0.25 0.00 0.48 0.00 0.00 55.95 56.31 2jec s SER 55 Cb -0.07 0.43 0.05 0.00 0.10 0.00 0.00 66.02 66.54 2jec s SER 55 CO 0.00 -0.65 0.54 -0.47 0.98 0.00 0.00 173.24 173.65 2jec s TYR 56 N -2.26 -0.47 0.02 5.02 6.14 -0.48 -1.73 117.35 123.59 2jec s TYR 56 Ca -0.07 0.79 -0.09 0.00 0.64 0.00 0.00 57.07 58.35 2jec s TYR 56 Cb -0.01 0.29 0.00 0.00 0.42 0.00 0.00 41.96 42.66 2jec s TYR 56 CO -0.01 -0.53 0.17 0.54 0.64 0.00 0.00 175.55 176.36 2jec s ASN 57 N -1.26 0.04 0.00 4.32 4.22 -1.26 -1.60 114.94 119.40 2jec s ASN 57 Ca -0.12 -0.31 0.21 0.00 -2.14 0.00 0.00 52.86 50.50 2jec s ASN 57 Cb -0.02 0.25 0.94 0.00 1.28 0.00 0.00 41.25 43.71 2jec s ASN 57 CO 0.08 -0.48 1.68 -1.54 -2.04 0.00 0.00 177.10 174.79 2jec n SER 58 N 0.98 0.00 -0.08 3.54 3.41 -0.01 -0.63 113.62 120.84 2jec n SER 58 Ca -0.20 0.38 -0.13 0.00 -0.26 0.00 0.00 58.87 58.66 2jec n SER 58 Cb 0.57 -0.45 -0.08 0.00 -0.26 0.00 0.00 64.21 63.99 2jec n SER 58 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2jec h VAL 59 N 0.00 0.80 -0.21 -3.33 2.07 -1.89 -3.37 116.25 110.33 2jec h VAL 59 Ca 0.00 -1.79 -0.07 0.00 0.82 0.00 0.00 66.70 65.66 2jec h VAL 59 Cb 0.33 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2jec h VAL 59 CO 0.00 0.27 -0.18 0.00 0.02 0.00 0.00 177.57 177.68 2jec h ALA 60 N -0.55 1.31 -6.03 1.67 0.00 -1.96 -3.47 119.26 110.22 2jec h ALA 60 Ca -0.14 -0.27 -0.41 0.00 0.00 0.00 0.00 54.91 54.09 2jec h ALA 60 Cb 0.86 -0.11 0.06 0.00 0.00 0.00 0.00 17.79 18.61 2jec h ALA 60 CO -0.08 0.46 -0.79 1.63 0.00 0.00 0.00 179.25 180.47 2jec n LYS 61 N -4.19 -5.73 -3.74 0.00 5.02 0.20 -4.94 118.16 104.78 2jec n LYS 61 Ca -0.00 0.68 -0.26 0.00 -2.02 0.00 0.00 58.31 56.71 2jec n LYS 61 Cb 0.33 -5.46 -0.17 0.00 -0.02 0.00 0.00 35.03 29.72 2jec n LYS 61 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2jec s ARG 62 N -6.06 0.62 -0.18 1.97 3.52 -1.25 -1.27 118.95 116.29 2jec s ARG 62 Ca 0.23 -0.21 -0.19 0.00 -0.13 0.00 0.00 55.73 55.43 2jec s ARG 62 Cb -0.11 -1.68 -0.03 0.00 -1.56 0.00 0.00 34.95 31.57 2jec s ARG 62 CO 0.79 -0.52 0.53 -1.17 -0.81 0.00 0.00 175.30 174.13 2jec s LEU 63 N 1.91 4.17 0.09 -0.88 2.96 -0.35 -4.32 118.68 122.28 2jec s LEU 63 Ca 0.01 0.74 0.04 0.00 -0.22 0.00 0.00 54.13 54.70 2jec s LEU 63 Cb -0.15 -2.75 -0.03 0.00 0.50 0.00 0.00 46.19 43.76 2jec s LEU 63 CO -0.07 -0.16 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.25 2jec s SER 64 N 1.06 1.52 0.02 3.68 0.01 -0.71 -1.01 113.70 118.27 2jec s SER 64 Ca 0.25 -0.77 -0.05 0.00 1.31 0.00 0.00 55.95 56.70 2jec s SER 64 Cb -0.15 -0.01 -0.01 0.00 0.21 0.00 0.00 66.02 66.06 2jec s SER 64 CO 0.10 -0.22 0.08 0.00 0.41 0.00 0.00 173.24 173.61 2jec s ALA 65 N -2.19 -0.11 -0.00 1.44 0.00 -0.26 -1.69 121.76 118.95 2jec s ALA 65 Ca 0.04 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.58 2jec s ALA 65 Cb -0.04 0.18 -0.00 0.00 0.00 0.00 0.00 23.12 23.25 2jec s ALA 65 CO 0.01 -0.24 -0.01 0.54 0.00 0.00 0.00 175.76 176.06 2jec s VAL 66 N -1.93 0.06 -0.04 0.00 0.11 -0.03 -1.26 120.40 117.30 2jec s VAL 66 Ca -0.11 -0.03 0.05 0.00 -2.93 0.00 0.00 61.98 58.96 2jec s VAL 66 Cb -0.05 -0.06 -0.01 0.00 -1.53 0.00 0.00 36.38 34.73 2jec s VAL 66 CO -0.02 0.01 -0.19 -0.69 -3.33 0.00 0.00 175.10 170.88 2jec s VAL 67 N -0.02 1.60 0.15 2.04 1.01 -0.20 -1.01 120.40 123.96 2jec s VAL 67 Ca 0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 2jec s VAL 67 Cb -0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 2jec s VAL 67 CO -0.00 0.46 0.25 -0.94 0.00 0.00 0.00 175.10 174.86 2jec s SER 68 N -0.07 0.08 0.15 3.32 1.04 -0.45 -1.11 113.70 116.65 2jec s SER 68 Ca -0.02 -0.85 0.04 0.00 0.48 0.00 0.00 55.95 55.60 2jec s SER 68 Cb -0.12 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 2jec s SER 68 CO 0.02 -0.85 -0.08 -0.31 0.98 0.00 0.00 173.24 173.00 2jec s TYR 69 N -3.95 1.23 0.19 5.02 2.02 -1.26 -0.81 117.35 119.78 2jec s TYR 69 Ca 0.15 -0.81 -0.33 0.00 -0.37 0.00 0.00 57.07 55.72 2jec s TYR 69 Cb 0.04 -0.64 -0.14 0.00 -0.40 0.00 0.00 41.96 40.81 2jec s TYR 69 CO -0.02 0.03 1.43 0.45 -1.57 0.00 0.00 175.55 175.86 2jec n SER 70 N -0.19 2.58 0.00 2.29 2.88 -1.26 -2.02 113.62 117.90 2jec n SER 70 Ca -0.10 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 2jec n SER 70 Cb 0.61 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 2jec n SER 70 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jec n GLY 71 N 2.58 2.26 3.92 0.46 0.00 -1.26 -4.97 105.19 108.18 2jec n GLY 71 Ca 0.14 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 2jec n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jec s SER 72 N 0.04 4.64 0.54 1.61 0.01 -0.86 -5.07 113.70 114.61 2jec s SER 72 Ca 0.00 0.51 -0.14 0.00 1.31 0.00 0.00 55.95 57.63 2jec s SER 72 Cb 0.00 -1.08 -0.06 0.00 0.21 0.00 0.00 66.02 65.08 2jec s SER 72 CO 0.00 -1.74 0.97 -0.94 0.41 0.00 0.00 173.24 171.94 2jec s SER 73 N -4.56 6.47 0.26 2.44 1.04 -1.26 -4.66 113.70 113.43 2jec s SER 73 Ca 0.61 1.45 0.06 0.00 0.48 0.00 0.00 55.95 58.55 2jec s SER 73 Cb -0.10 -2.47 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 2jec s SER 73 CO 0.46 -0.66 0.34 -0.94 0.98 0.00 0.00 173.24 173.42 2jec s SER 74 N -3.48 6.05 -0.12 7.02 1.04 -1.26 -4.67 113.70 118.29 2jec s SER 74 Ca 0.56 -0.06 0.01 0.00 0.48 0.00 0.00 55.95 56.94 2jec s SER 74 Cb -0.10 -1.63 -0.01 0.00 0.10 0.00 0.00 66.02 64.38 2jec s SER 74 CO 0.39 -0.13 -0.15 -0.89 0.98 0.00 0.00 173.24 173.44 2jec s THR 75 N -2.06 2.89 0.18 2.02 2.01 -0.27 -4.97 115.64 115.45 2jec s THR 75 Ca 0.36 -0.73 0.11 0.00 0.31 0.00 0.00 61.69 61.74 2jec s THR 75 Cb -0.09 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 2jec s THR 75 CO 0.28 0.54 -0.25 0.42 -0.69 0.00 0.00 174.62 174.92 2jec s THR 76 N 0.23 2.34 -0.10 -0.82 -4.23 -1.26 -1.04 115.64 110.76 2jec s THR 76 Ca -0.10 -1.97 -0.12 0.00 -1.18 0.00 0.00 61.69 58.33 2jec s THR 76 Cb -0.16 -2.10 0.03 0.00 1.34 0.00 0.00 72.50 71.61 2jec s THR 76 CO 0.06 -0.07 0.31 0.54 -0.54 0.00 0.00 174.62 174.92 2jec s VAL 77 N -1.53 0.01 0.05 2.29 0.11 -0.38 -4.69 120.40 116.26 2jec s VAL 77 Ca 0.19 -0.11 -0.01 0.00 -2.93 0.00 0.00 61.98 59.12 2jec s VAL 77 Cb -0.08 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 2jec s VAL 77 CO 0.09 -0.06 -0.03 -0.44 -3.33 0.00 0.00 175.10 171.33 2jec s SER 78 N -0.17 0.53 -0.17 3.54 0.01 -1.26 -1.10 113.70 115.08 2jec s SER 78 Ca -0.03 -1.00 -0.12 0.00 1.31 0.00 0.00 55.95 56.11 2jec s SER 78 Cb -0.03 0.19 0.05 0.00 0.21 0.00 0.00 66.02 66.45 2jec s SER 78 CO 0.01 -0.59 0.43 -0.47 0.41 0.00 0.00 173.24 173.03 2jec s TYR 79 N -3.90 -0.57 -0.32 2.43 5.04 -0.18 -4.85 117.35 115.00 2jec s TYR 79 Ca 0.07 1.26 -0.28 0.00 -2.44 0.00 0.00 57.07 55.69 2jec s TYR 79 Cb 0.08 0.24 0.01 0.00 0.35 0.00 0.00 41.96 42.64 2jec s TYR 79 CO -0.10 -0.30 1.01 -0.51 -1.34 0.00 0.00 175.55 174.31 2jec s ASP 80 N 0.95 6.86 -0.23 4.32 1.01 -1.26 -1.21 116.67 127.12 2jec s ASP 80 Ca -0.06 0.93 -0.20 0.00 0.71 0.00 0.00 52.55 53.93 2jec s ASP 80 Cb -0.06 -2.51 0.06 0.00 1.01 0.00 0.00 42.92 41.41 2jec s ASP 80 CO -0.08 -0.84 0.60 0.54 0.21 0.00 0.00 175.17 175.60 2jec s VAL 81 N 3.53 -0.00 -0.54 -1.27 0.11 -0.39 -5.00 120.40 116.83 2jec s VAL 81 Ca 0.42 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 59.31 2jec s VAL 81 Cb -0.12 -0.83 0.10 0.00 -1.53 0.00 0.00 36.38 34.00 2jec s VAL 81 CO 0.15 0.00 0.56 -0.62 -3.33 0.00 0.00 175.10 171.87 2jec s ASP 82 N 0.39 6.18 0.49 3.54 -1.08 -1.26 -4.18 116.67 120.76 2jec s ASP 82 Ca -0.01 -1.51 0.16 0.00 -0.52 0.00 0.00 52.55 50.68 2jec s ASP 82 Cb -0.04 -2.24 1.19 0.00 -1.46 0.00 0.00 42.92 40.37 2jec s ASP 82 CO -0.00 -0.91 2.09 -0.07 0.52 0.00 0.00 175.17 176.80 2jec h LEU 83 N 9.31 0.12 -2.08 -1.34 3.38 -1.96 -1.66 115.31 121.07 2jec h LEU 83 Ca -0.29 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 2jec h LEU 83 Cb 1.10 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 2jec h LEU 83 CO 1.03 0.08 -0.02 -1.13 0.09 0.00 0.00 178.44 178.48 2jec h ASN 84 N 0.14 0.00 0.94 -0.43 -1.24 -1.93 0.29 115.58 113.34 2jec h ASN 84 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.10 2jec h ASN 84 Cb 0.20 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.25 2jec h ASN 84 CO -0.01 0.02 0.00 0.59 -1.29 0.00 0.00 177.43 176.74 2jec n ASN 85 N -3.18 0.00 -0.05 1.15 3.02 -0.62 -4.35 115.26 111.23 2jec n ASN 85 Ca -0.01 0.43 -0.10 0.00 -0.03 0.00 0.00 54.58 54.87 2jec n ASN 85 Cb 0.21 -0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 38.87 2jec n ASN 85 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2jec n VAL 86 N -1.48 0.93 -3.87 2.41 0.31 -0.41 -5.07 118.33 111.15 2jec n VAL 86 Ca 0.08 -0.02 -0.28 0.00 -0.01 0.00 0.00 64.34 64.11 2jec n VAL 86 Cb 0.32 -1.77 -0.03 0.00 -0.91 0.00 0.00 33.84 31.46 2jec n VAL 86 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2jec s LEU 87 N -6.94 4.32 1.15 7.52 1.43 0.87 -4.97 118.68 122.06 2jec s LEU 87 Ca -0.16 0.26 -0.14 0.00 -1.03 0.00 0.00 54.13 53.05 2jec s LEU 87 Cb 0.05 -2.99 0.27 0.00 0.03 0.00 0.00 46.19 43.54 2jec s LEU 87 CO 0.22 0.05 1.05 -2.16 0.23 0.00 0.00 176.35 175.74 2jec s PRO 88 N -3.09 -0.78 0.28 1.29 0.04 -1.26 -4.67 135.00 126.81 2jec s PRO 88 Ca 0.36 0.51 0.10 0.00 0.04 0.00 0.00 61.00 62.01 2jec s PRO 88 Cb -0.11 -1.60 0.38 0.00 0.04 0.00 0.00 34.50 33.20 2jec s PRO 88 CO 0.28 -3.55 1.62 0.93 0.04 0.00 0.00 177.00 176.33 2jec h GLU 89 N -2.48 0.01 -5.81 4.56 5.08 -1.95 -3.42 114.58 110.57 2jec h GLU 89 Ca -0.56 -0.01 -0.67 0.00 -1.00 0.00 0.00 59.36 57.12 2jec h GLU 89 Cb 1.33 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.37 2jec h GLU 89 CO 0.49 0.61 -0.70 -1.58 -1.00 0.00 0.00 179.01 176.83 2jec s TRP 90 N -3.66 2.93 0.20 4.33 0.52 -1.26 -0.34 118.94 121.66 2jec s TRP 90 Ca -0.02 -0.17 0.01 0.00 0.02 0.00 0.00 56.10 55.95 2jec s TRP 90 Cb 0.13 -1.79 -0.05 0.00 -1.15 0.00 0.00 33.47 30.61 2jec s TRP 90 CO 0.76 0.15 0.04 0.14 0.02 0.00 0.00 176.95 178.07 2jec s VAL 91 N -0.33 0.55 0.16 4.03 -7.23 -0.13 -4.28 120.40 113.17 2jec s VAL 91 Ca 0.05 -1.98 0.08 0.00 -1.81 0.00 0.00 61.98 58.31 2jec s VAL 91 Cb -0.13 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 2jec s VAL 91 CO 0.02 -0.30 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.33 2jec s ARG 92 N -3.98 2.22 0.10 4.82 0.52 -0.08 -0.49 118.95 122.06 2jec s ARG 92 Ca 0.29 -1.14 0.08 0.00 -0.52 0.00 0.00 55.73 54.44 2jec s ARG 92 Cb 0.07 -2.28 -0.04 0.00 0.52 0.00 0.00 34.95 33.22 2jec s ARG 92 CO 0.07 0.46 -0.15 0.14 0.02 0.00 0.00 175.30 175.84 2jec s VAL 93 N -1.59 3.01 0.32 3.52 -7.23 -1.26 -1.26 120.40 115.91 2jec s VAL 93 Ca 0.25 -1.36 -0.14 0.00 -1.81 0.00 0.00 61.98 58.92 2jec s VAL 93 Cb -0.10 -2.37 0.05 0.00 0.56 0.00 0.00 36.38 34.53 2jec s VAL 93 CO 0.16 0.15 0.72 0.61 -0.31 0.00 0.00 175.10 176.44 2jec n GLY 94 N 0.92 1.04 3.24 2.32 0.00 -0.09 -1.57 105.19 111.04 2jec n GLY 94 Ca -0.15 -1.21 -0.26 0.00 0.00 0.00 0.00 46.02 44.40 2jec n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jec s LEU 95 N 0.00 2.13 0.15 0.99 1.43 -0.19 -1.14 118.68 122.06 2jec s LEU 95 Ca 0.15 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 2jec s LEU 95 Cb -0.04 -0.97 -0.04 0.00 0.03 0.00 0.00 46.19 45.16 2jec s LEU 95 CO 0.10 0.18 -0.01 -0.94 0.23 0.00 0.00 176.35 175.90 2jec s SER 96 N -0.99 1.16 -0.02 2.29 1.04 -0.55 -0.69 113.70 115.93 2jec s SER 96 Ca 0.07 -1.13 -0.29 0.00 0.48 0.00 0.00 55.95 55.09 2jec s SER 96 Cb -0.08 0.12 0.09 0.00 0.10 0.00 0.00 66.02 66.25 2jec s SER 96 CO 0.01 -0.55 0.79 0.00 0.98 0.00 0.00 173.24 174.48 2jec s ALA 97 N -3.66 -1.79 0.11 5.32 0.00 -0.77 -0.95 121.76 120.03 2jec s ALA 97 Ca 0.21 1.14 -0.00 0.00 0.00 0.00 0.00 51.96 53.31 2jec s ALA 97 Cb 0.06 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 2jec s ALA 97 CO 0.02 -0.51 0.01 0.95 0.00 0.00 0.00 175.76 176.22 2jec s THR 98 N -2.16 0.29 0.30 0.00 -4.23 -1.11 -2.23 115.64 106.50 2jec s THR 98 Ca -0.02 -1.90 0.03 0.00 -1.18 0.00 0.00 61.69 58.62 2jec s THR 98 Cb -0.01 -1.88 -0.06 0.00 1.34 0.00 0.00 72.50 71.89 2jec s THR 98 CO -0.01 -0.65 0.05 0.42 -0.54 0.00 0.00 174.62 173.89 2jec s THR 99 N -3.91 1.09 0.00 3.99 -4.23 -0.20 -1.06 115.64 111.32 2jec s THR 99 Ca 0.18 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 2jec s THR 99 Cb 0.07 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 71.20 2jec s THR 99 CO -0.02 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 2jec n GLY 100 N -0.62 5.09 0.35 3.99 0.00 -1.26 -2.86 105.19 109.89 2jec n GLY 100 Ca -0.02 -0.73 -0.04 0.00 0.00 0.00 0.00 46.02 45.23 2jec n GLY 100 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jec h LEU 101 N 0.00 1.10-10.20 0.99 5.85 -1.97 0.11 115.31 111.18 2jec h LEU 101 Ca 0.00 -0.08 -0.46 0.00 0.84 0.00 0.00 57.88 58.18 2jec h LEU 101 Cb 0.00 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 2jec h LEU 101 CO 0.00 0.86 -0.39 -0.31 -0.34 0.00 0.00 178.44 178.26 2jec s TYR 102 N -5.93 3.05 0.26 1.25 2.02 -1.26 -4.89 117.35 111.85 2jec s TYR 102 Ca -0.13 -0.24 -0.09 0.00 -0.37 0.00 0.00 57.07 56.24 2jec s TYR 102 Cb 0.17 -1.89 -0.01 0.00 -0.40 0.00 0.00 41.96 39.83 2jec s TYR 102 CO 0.82 0.09 0.42 -1.59 -1.57 0.00 0.00 175.55 173.72 2jec s LYS 103 N -4.09 1.56 -0.12 -0.62 -2.85 -1.23 -4.39 119.74 107.99 2jec s LYS 103 Ca 0.43 -1.41 -0.33 0.00 -1.00 0.00 0.00 55.97 53.66 2jec s LYS 103 Cb -0.08 0.43 0.13 0.00 -2.06 0.00 0.00 37.83 36.25 2jec s LYS 103 CO 0.29 -0.63 1.13 -1.83 0.10 0.00 0.00 175.35 174.41 2jec s GLU 104 N -3.86 0.47 0.26 1.78 -1.05 -1.13 -3.13 118.70 112.05 2jec s GLU 104 Ca 0.27 -0.19 -0.30 0.00 -0.15 0.00 0.00 54.97 54.60 2jec s GLU 104 Cb 0.01 0.21 -0.09 0.00 -0.44 0.00 0.00 34.13 33.81 2jec s GLU 104 CO 0.11 -0.21 1.01 0.95 0.95 0.00 0.00 175.26 178.08 2jec s THR 105 N -2.63 3.82 -0.68 1.83 -4.23 0.13 -4.71 115.64 109.17 2jec s THR 105 Ca 0.09 1.81 0.05 0.00 -1.18 0.00 0.00 61.69 62.46 2jec s THR 105 Cb -0.01 -4.15 0.25 0.00 1.34 0.00 0.00 72.50 69.94 2jec s THR 105 CO -0.05 0.42 0.81 0.59 -0.54 0.00 0.00 174.62 175.84 2jec n ASN 106 N 1.30 3.99 -4.67 3.99 5.03 -1.26 -3.97 115.26 119.66 2jec n ASN 106 Ca -0.01 -3.44 -0.38 0.00 0.87 0.00 0.00 54.58 51.62 2jec n ASN 106 Cb 0.46 -0.73 -0.08 0.00 -1.02 0.00 0.00 39.78 38.42 2jec n ASN 106 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2jec s THR 107 N -2.47 5.23 -0.21 3.41 2.01 -1.10 -1.82 115.64 120.69 2jec s THR 107 Ca 0.39 0.62 -0.07 0.00 0.31 0.00 0.00 61.69 62.93 2jec s THR 107 Cb 0.13 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 2jec s THR 107 CO -0.01 0.27 0.07 -0.63 -0.69 0.00 0.00 174.62 173.64 2jec s ILE 108 N 1.22 4.66 -0.14 1.82 -1.09 0.11 -0.76 121.20 127.02 2jec s ILE 108 Ca 0.17 -0.07 0.18 0.00 -2.23 0.00 0.00 60.65 58.70 2jec s ILE 108 Cb -0.14 -3.13 -0.24 0.00 -1.58 0.00 0.00 42.46 37.36 2jec s ILE 108 CO 0.07 0.41 0.35 0.18 -1.23 0.00 0.00 174.94 174.73 2jec n LEU 109 N 4.01 0.24 -3.51 2.97 4.77 -0.56 -0.97 117.00 123.95 2jec n LEU 109 Ca -0.16 0.11 -0.10 0.00 -0.03 0.00 0.00 56.01 55.83 2jec n LEU 109 Cb 0.52 0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.88 2jec n LEU 109 CO 0.34 0.32 0.54 -0.94 -1.33 0.00 0.00 177.39 176.32 2jec s SER 110 N -5.40 -0.44 -0.29 -1.43 1.04 -1.24 -4.15 113.70 101.80 2jec s SER 110 Ca -0.08 -0.08 -0.15 0.00 0.48 0.00 0.00 55.95 56.13 2jec s SER 110 Cb 0.08 0.52 0.12 0.00 0.10 0.00 0.00 66.02 66.84 2jec s SER 110 CO 0.84 -0.86 0.78 0.86 0.98 0.00 0.00 173.24 175.84 2jec s TRP 111 N -3.49 -0.97 0.14 5.02 -0.00 0.12 -1.86 118.94 117.89 2jec s TRP 111 Ca 0.04 1.84 0.04 0.00 -0.00 0.00 0.00 56.10 58.02 2jec s TRP 111 Cb -0.01 0.58 -0.04 0.00 -0.00 0.00 0.00 33.47 33.99 2jec s TRP 111 CO -0.09 -0.48 -0.08 -1.54 -0.00 0.00 0.00 176.95 174.76 2jec s SER 112 N 1.95 1.63 -0.23 5.86 1.04 0.15 -0.17 113.70 123.93 2jec s SER 112 Ca -0.08 -1.03 -0.20 0.00 0.48 0.00 0.00 55.95 55.12 2jec s SER 112 Cb -0.06 0.02 0.06 0.00 0.10 0.00 0.00 66.02 66.14 2jec s SER 112 CO -0.18 -0.38 0.61 0.12 0.98 0.00 0.00 173.24 174.39 2jec s PHE 113 N -3.41 -0.71 -0.01 5.02 5.36 -0.37 -1.64 117.98 122.22 2jec s PHE 113 Ca 0.17 1.68 0.02 0.00 -0.96 0.00 0.00 56.93 57.84 2jec s PHE 113 Cb 0.03 0.27 -0.01 0.00 -0.34 0.00 0.00 43.02 42.98 2jec s PHE 113 CO 0.00 -0.35 -0.08 0.99 -1.46 0.00 0.00 175.22 174.33 2jec s THR 114 N 0.50 0.61 0.04 0.12 2.01 -0.17 -1.23 115.64 117.51 2jec s THR 114 Ca -0.01 -0.33 0.03 0.00 0.31 0.00 0.00 61.69 61.69 2jec s THR 114 Cb -0.05 -0.51 -0.02 0.00 0.01 0.00 0.00 72.50 71.93 2jec s THR 114 CO -0.02 0.17 -0.09 -0.94 -0.69 0.00 0.00 174.62 173.05 2jec s SER 115 N -0.16 1.06 0.00 3.53 1.04 0.31 -1.34 113.70 118.13 2jec s SER 115 Ca 0.03 -0.49 0.02 0.00 0.48 0.00 0.00 55.95 55.99 2jec s SER 115 Cb -0.03 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.07 2jec s SER 115 CO -0.00 -0.12 -0.06 -0.54 0.98 0.00 0.00 173.24 173.50 2jec s LYS 116 N -1.36 0.44 -0.15 4.02 3.01 -0.24 -1.70 119.74 123.76 2jec s LYS 116 Ca -0.06 -0.29 -0.01 0.00 -1.01 0.00 0.00 55.97 54.60 2jec s LYS 116 Cb -0.09 -0.39 0.04 0.00 -1.01 0.00 0.00 37.83 36.39 2jec s LYS 116 CO 0.01 0.10 -0.01 -1.17 0.51 0.00 0.00 175.35 174.79 2jec s LEU 117 N -0.37 1.25 -0.07 3.17 2.96 0.38 -1.29 118.68 124.70 2jec s LEU 117 Ca -0.00 -0.57 0.01 0.00 -0.22 0.00 0.00 54.13 53.34 2jec s LEU 117 Cb -0.03 -0.71 -0.03 0.00 0.50 0.00 0.00 46.19 45.92 2jec s LEU 117 CO -0.00 -0.22 -0.08 -0.75 -1.32 0.00 0.00 176.35 173.98 2jec s LYS 118 N 1.78 2.79 0.33 1.98 2.47 0.32 -0.83 119.74 128.58 2jec s LYS 118 Ca 0.01 -0.56 0.08 0.00 -1.56 0.00 0.00 55.97 53.94 2jec s LYS 118 Cb -0.15 -2.59 -0.04 0.00 -1.46 0.00 0.00 37.83 33.59 2jec s LYS 118 CO -0.07 0.62 0.10 0.95 0.16 0.00 0.00 175.35 177.11 2jec s THR 119 N -0.70 3.00 -1.01 3.43 -4.23 -1.26 -0.47 115.64 114.39 2jec s THR 119 Ca 0.11 -1.77 0.16 0.00 -1.18 0.00 0.00 61.69 59.01 2jec s THR 119 Cb -0.11 -2.93 0.13 0.00 1.34 0.00 0.00 72.50 70.93 2jec s THR 119 CO 0.02 -0.20 1.51 -0.46 -0.54 0.00 0.00 174.62 174.94 2jec n ASN 120 N -1.09 0.00 -0.42 3.99 0.23 -1.20 -3.67 115.26 113.11 2jec n ASN 120 Ca -0.04 0.49 0.00 0.00 -0.53 0.00 0.00 54.58 54.51 2jec n ASN 120 Cb 0.61 -0.50 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 2jec n ASN 120 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2jec n SER 121 N -1.50 0.79 -1.25 0.53 3.41 -1.26 -4.86 113.62 109.48 2jec n SER 121 Ca 0.04 -1.86 -0.01 0.00 -0.26 0.00 0.00 58.87 56.77 2jec n SER 121 Cb 0.19 -0.39 -0.00 0.00 -0.26 0.00 0.00 64.21 63.74 2jec n SER 121 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2jec n ILE 122 N -0.05 0.00 -1.99 -1.33 -5.35 -1.24 -4.91 119.36 104.49 2jec n ILE 122 Ca 0.00 0.00 -0.39 0.00 -0.27 0.00 0.00 62.75 62.09 2jec n ILE 122 Cb 0.20 -0.02 0.01 0.00 -1.74 0.00 0.00 39.64 38.09 2jec n ILE 122 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jec s ALA 123 N -0.72 3.17 1.06 -1.28 0.00 -1.26 -5.04 121.76 117.69 2jec s ALA 123 Ca 0.03 1.26 -0.12 0.00 0.00 0.00 0.00 51.96 53.13 2jec s ALA 123 Cb -0.02 -3.51 0.23 0.00 0.00 0.00 0.00 23.12 19.82 2jec s ALA 123 CO 0.04 -0.95 1.06 -0.51 0.00 0.00 0.00 175.76 175.40 2jec s ASP 124 N -0.78 1.88 0.41 0.00 1.01 -1.26 -4.66 116.67 113.28 2jec s ASP 124 Ca 0.60 1.54 -0.27 0.00 0.71 0.00 0.00 52.55 55.13 2jec s ASP 124 Cb -0.39 -2.23 -0.10 0.00 1.01 0.00 0.00 42.92 41.21 2jec s ASP 124 CO 0.49 -3.64 1.45 0.00 0.21 0.00 0.00 175.17 173.67 2jec n ALA 125 N -4.55 2.14 -1.77 5.23 0.00 -1.26 -4.83 120.51 115.47 2jec n ALA 125 Ca 0.05 0.29 -0.39 0.00 0.00 0.00 0.00 53.44 53.39 2jec n ALA 125 Cb 0.55 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.58 2jec n ALA 125 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2jec s ASN 126 N -0.31 6.64 0.03 0.00 3.84 -0.01 -4.86 114.94 120.27 2jec s ASN 126 Ca 0.57 2.51 -0.12 0.00 0.21 0.00 0.00 52.86 56.03 2jec s ASN 126 Cb -0.47 -2.63 0.01 0.00 -0.55 0.00 0.00 41.25 37.62 2jec s ASN 126 CO 0.61 -0.60 0.26 -0.94 -2.79 0.00 0.00 177.10 173.64 2jec s SER 127 N -0.82 -0.08 -0.03 -4.21 1.04 -1.26 -0.47 113.70 107.88 2jec s SER 127 Ca 0.53 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.75 2jec s SER 127 Cb -0.35 0.32 0.03 0.00 0.10 0.00 0.00 66.02 66.12 2jec s SER 127 CO 0.46 -0.57 -0.00 -0.22 0.98 0.00 0.00 173.24 173.89 2jec s LEU 128 N -1.95 1.23 -0.04 2.42 1.98 -0.69 -5.01 118.68 116.63 2jec s LEU 128 Ca -0.06 -0.03 0.02 0.00 -2.89 0.00 0.00 54.13 51.17 2jec s LEU 128 Cb -0.02 -0.21 0.01 0.00 0.66 0.00 0.00 46.19 46.63 2jec s LEU 128 CO -0.02 -0.09 -0.08 -2.28 -1.89 0.00 0.00 176.35 171.99 2jec s HIS 129 N 0.94 0.96 0.11 5.38 2.46 -1.26 -0.53 115.29 123.34 2jec s HIS 129 Ca -0.09 -0.28 0.04 0.00 0.47 0.00 0.00 55.06 55.20 2jec s HIS 129 Cb -0.13 -0.74 -0.04 0.00 -0.13 0.00 0.00 32.58 31.55 2jec s HIS 129 CO -0.02 -0.16 -0.10 -0.59 -2.47 0.00 0.00 174.74 171.40 2jec s PHE 130 N 0.55 1.13 -0.04 3.88 -0.12 -0.37 -5.01 117.98 118.00 2jec s PHE 130 Ca -0.09 -0.70 -0.01 0.00 -0.05 0.00 0.00 56.93 56.08 2jec s PHE 130 Cb -0.12 -0.60 0.03 0.00 -0.63 0.00 0.00 43.02 41.70 2jec s PHE 130 CO 0.01 0.02 0.08 0.45 -0.05 0.00 0.00 175.22 175.73 2jec s SER 131 N -2.70 0.02 -0.18 1.98 0.15 -1.26 -1.23 113.70 110.48 2jec s SER 131 Ca 0.09 0.15 0.01 0.00 0.70 0.00 0.00 55.95 56.90 2jec s SER 131 Cb -0.01 0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.36 2jec s SER 131 CO -0.00 -0.14 -0.19 -0.36 1.20 0.00 0.00 173.24 173.75 2jec s PHE 132 N 1.14 2.71 -0.52 3.44 0.08 0.76 -4.99 117.98 120.61 2jec s PHE 132 Ca -0.09 -1.60 0.15 0.00 0.12 0.00 0.00 56.93 55.50 2jec s PHE 132 Cb -0.12 -1.88 -0.18 0.00 -0.57 0.00 0.00 43.02 40.27 2jec s PHE 132 CO -0.04 -0.79 0.55 0.09 -0.10 0.00 0.00 175.22 174.92 2jec n ASN 133 N 4.64 0.90 -3.18 1.36 3.02 -1.26 -0.70 115.26 120.04 2jec n ASN 133 Ca -0.20 -0.64 -0.18 0.00 -0.03 0.00 0.00 54.58 53.53 2jec n ASN 133 Cb 0.50 1.17 -0.06 0.00 -0.61 0.00 0.00 39.78 40.78 2jec n ASN 133 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jec n GLN 134 N -1.51 0.55 -4.87 3.52 6.02 -1.26 -4.66 117.38 115.17 2jec n GLN 134 Ca 0.01 -3.17 -0.31 0.00 -0.01 0.00 0.00 57.00 53.52 2jec n GLN 134 Cb 0.27 2.78 -0.14 0.00 1.02 0.00 0.00 30.24 34.17 2jec n GLN 134 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2jec s PHE 135 N -3.15 2.54 0.54 1.08 0.40 -0.15 -5.02 117.98 114.23 2jec s PHE 135 Ca 0.36 -0.27 -0.20 0.00 -0.60 0.00 0.00 56.93 56.22 2jec s PHE 135 Cb 0.01 -1.52 -0.06 0.00 0.51 0.00 0.00 43.02 41.97 2jec s PHE 135 CO 0.26 0.17 1.15 0.45 0.70 0.00 0.00 175.22 177.95 2jec s SER 136 N -1.06 5.68 0.02 1.36 0.15 -1.26 -4.41 113.70 114.18 2jec s SER 136 Ca 0.13 2.24 0.26 0.00 0.70 0.00 0.00 55.95 59.28 2jec s SER 136 Cb -0.10 -2.59 1.10 0.00 -1.71 0.00 0.00 66.02 62.71 2jec s SER 136 CO 0.02 -1.25 1.83 1.67 1.20 0.00 0.00 173.24 176.72 2jec n GLN 137 N -1.23 0.02 -3.51 5.44 7.27 -1.26 -3.62 117.38 120.48 2jec n GLN 137 Ca 0.11 0.07 -0.28 0.00 0.07 0.00 0.00 57.00 56.97 2jec n GLN 137 Cb 0.50 -1.53 -0.11 0.00 2.41 0.00 0.00 30.24 31.51 2jec n GLN 137 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 2jec s ASN 138 N -3.13 2.39 -0.77 1.69 3.84 -1.26 -4.68 114.94 113.02 2jec s ASN 138 Ca 0.12 -3.02 -0.25 0.00 0.21 0.00 0.00 52.86 49.92 2jec s ASN 138 Cb 0.17 -0.67 0.04 0.00 -0.55 0.00 0.00 41.25 40.24 2jec s ASN 138 CO 0.49 -0.19 1.24 -2.16 -2.79 0.00 0.00 177.10 173.69 2jec s PRO 139 N -0.00 3.24 0.16 0.43 0.04 -1.24 -4.88 135.00 132.75 2jec s PRO 139 Ca 0.28 -0.51 0.20 0.00 0.04 0.00 0.00 61.00 61.00 2jec s PRO 139 Cb -0.04 -4.37 0.83 0.00 0.04 0.00 0.00 34.50 30.96 2jec s PRO 139 CO -0.14 -2.09 1.60 1.63 0.04 0.00 0.00 177.00 178.04 2jec n LYS 140 N 8.92 0.12 -0.30 4.56 5.02 -1.26 -1.95 118.16 133.26 2jec n LYS 140 Ca 0.06 0.36 0.12 0.00 -2.02 0.00 0.00 58.31 56.83 2jec n LYS 140 Cb 0.49 -1.72 0.28 0.00 -0.02 0.00 0.00 35.03 34.05 2jec n LYS 140 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2jec n ASP 141 N -1.94 3.75 -4.38 4.39 5.75 -1.26 -4.90 116.55 117.95 2jec n ASP 141 Ca 0.03 -1.99 -0.31 0.00 -0.01 0.00 0.00 54.79 52.50 2jec n ASP 141 Cb 0.20 -0.39 -0.15 0.00 -1.03 0.00 0.00 41.12 39.75 2jec n ASP 141 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2jec s LEU 142 N -1.17 2.31 -0.42 -2.12 1.43 -0.82 -0.53 118.68 117.35 2jec s LEU 142 Ca 0.44 -0.43 -0.17 0.00 -1.03 0.00 0.00 54.13 52.94 2jec s LEU 142 Cb 0.24 -1.40 0.02 0.00 0.03 0.00 0.00 46.19 45.08 2jec s LEU 142 CO 0.32 0.30 0.45 -0.63 0.23 0.00 0.00 176.35 177.02 2jec s ILE 143 N -0.73 5.07 -0.16 -0.59 1.01 0.70 -4.87 121.20 121.63 2jec s ILE 143 Ca 0.11 -0.29 -0.16 0.00 0.00 0.00 0.00 60.65 60.32 2jec s ILE 143 Cb -0.10 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 2jec s ILE 143 CO 0.01 -0.42 0.38 -0.76 0.00 0.00 0.00 174.94 174.15 2jec s LEU 144 N 2.18 4.22 0.06 2.97 1.43 -1.26 -0.85 118.68 127.43 2jec s LEU 144 Ca 0.13 0.59 0.09 0.00 -1.03 0.00 0.00 54.13 53.91 2jec s LEU 144 Cb -0.17 -2.50 -0.03 0.00 0.03 0.00 0.00 46.19 43.52 2jec s LEU 144 CO 0.14 0.01 -0.26 -1.10 0.23 0.00 0.00 176.35 175.37 2jec s GLN 145 N 0.81 1.66 7.42 1.70 -0.21 0.28 -4.98 119.66 126.35 2jec s GLN 145 Ca 0.20 -1.14 0.00 0.00 0.02 0.00 0.00 55.36 54.44 2jec s GLN 145 Cb -0.14 -1.90 0.00 0.00 1.00 0.00 0.00 33.01 31.97 2jec s GLN 145 CO 0.07 0.48 0.00 0.41 -2.12 0.00 0.00 175.29 174.13 2jec n GLY 146 N 1.61 2.65 0.43 3.09 0.00 -1.26 -1.51 105.19 110.20 2jec n GLY 146 Ca -0.17 -0.27 0.13 0.00 0.00 0.00 0.00 46.02 45.71 2jec n GLY 146 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jec n ASP 147 N 5.59 1.49 -4.74 1.61 8.00 0.62 -4.93 116.55 124.17 2jec n ASP 147 Ca 0.00 -1.30 -0.42 0.00 0.71 0.00 0.00 54.79 53.78 2jec n ASP 147 Cb 0.00 0.09 -0.00 0.00 -0.02 0.00 0.00 41.12 41.19 2jec n ASP 147 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jec n ALA 148 N -0.07 2.00 -3.46 2.24 0.00 -1.10 -4.44 120.51 115.69 2jec n ALA 148 Ca 0.15 0.35 -0.10 0.00 0.00 0.00 0.00 53.44 53.84 2jec n ALA 148 Cb 0.38 -2.37 -0.03 0.00 0.00 0.00 0.00 19.45 17.44 2jec n ALA 148 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2jec s PHE 149 N -0.98 -0.32 -0.17 0.00 -0.71 0.05 -4.75 117.98 111.11 2jec s PHE 149 Ca 0.55 0.01 -0.05 0.00 -1.04 0.00 0.00 56.93 56.40 2jec s PHE 149 Cb -0.51 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 41.79 2jec s PHE 149 CO 0.62 -0.95 0.00 0.95 -1.34 0.00 0.00 175.22 174.50 2jec s THR 150 N -3.83 4.22 0.64 -4.49 -4.23 -1.26 -0.07 115.64 106.62 2jec s THR 150 Ca 0.06 -0.24 -0.04 0.00 -1.18 0.00 0.00 61.69 60.29 2jec s THR 150 Cb -0.02 -2.87 0.13 0.00 1.34 0.00 0.00 72.50 71.08 2jec s THR 150 CO -0.06 0.48 0.87 -0.90 -0.54 0.00 0.00 174.62 174.47 2jec n ASP 151 N 3.57 0.83 0.16 3.99 5.68 -0.74 -4.84 116.55 125.20 2jec n ASP 151 Ca -0.17 -1.78 0.13 0.00 -0.50 0.00 0.00 54.79 52.47 2jec n ASP 151 Cb 0.52 -0.60 0.47 0.00 -1.14 0.00 0.00 41.12 40.37 2jec n ASP 151 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2jec h SER 152 N -0.72 0.00 0.08 -1.12 4.64 -1.98 -2.40 113.55 112.06 2jec h SER 152 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2jec h SER 152 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2jec h SER 152 CO 0.27 0.00 -0.02 0.47 -0.87 0.00 0.00 176.83 176.68 2jec n ASP 153 N -2.52 0.51 -0.24 4.97 8.00 -1.26 -4.90 116.55 121.11 2jec n ASP 153 Ca 0.03 -1.03 -0.03 0.00 0.71 0.00 0.00 54.79 54.47 2jec n ASP 153 Cb 0.34 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.40 2jec n ASP 153 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jec n GLY 154 N 1.11 0.63 3.83 0.44 0.00 -0.90 -4.93 105.19 105.37 2jec n GLY 154 Ca 0.20 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 2jec n GLY 154 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jec s ASN 155 N -2.88 6.92 -0.26 1.61 0.01 -1.26 -0.98 114.94 118.10 2jec s ASN 155 Ca 0.00 1.24 -0.18 0.00 -0.71 0.00 0.00 52.86 53.20 2jec s ASN 155 Cb 0.00 -2.35 -0.02 0.00 0.41 0.00 0.00 41.25 39.28 2jec s ASN 155 CO 0.00 0.04 0.54 -0.22 -1.51 0.00 0.00 177.10 175.95 2jec s LEU 156 N -2.07 4.06 -0.43 0.60 2.96 -0.14 -1.79 118.68 121.86 2jec s LEU 156 Ca 0.42 0.55 -0.14 0.00 -0.22 0.00 0.00 54.13 54.74 2jec s LEU 156 Cb -0.15 -2.70 0.05 0.00 0.50 0.00 0.00 46.19 43.88 2jec s LEU 156 CO 0.20 -0.31 0.33 -1.10 -1.32 0.00 0.00 176.35 174.15 2jec s GLN 157 N 2.36 2.94 0.26 1.98 -1.52 0.90 0.07 119.66 126.63 2jec s GLN 157 Ca 0.22 -1.19 0.09 0.00 -1.95 0.00 0.00 55.36 52.53 2jec s GLN 157 Cb -0.16 -4.01 0.30 0.00 -0.22 0.00 0.00 33.01 28.92 2jec s GLN 157 CO 0.09 -0.88 1.58 -0.07 -0.25 0.00 0.00 175.29 175.76 2jec h LEU 158 N 8.65 0.06 -9.05 2.90 3.38 -1.60 0.18 115.31 119.84 2jec h LEU 158 Ca -0.27 -0.04 -0.50 0.00 0.09 0.00 0.00 57.88 57.16 2jec h LEU 158 Cb 1.11 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.70 2jec h LEU 158 CO 0.79 0.69 -0.72 0.42 0.09 0.00 0.00 178.44 179.70 2jec s THR 159 N -3.59 1.89 0.29 0.22 -4.23 -1.26 -2.69 115.64 106.26 2jec s THR 159 Ca -0.02 -2.23 -0.30 0.00 -1.18 0.00 0.00 61.69 57.96 2jec s THR 159 Cb 0.12 -2.24 -0.12 0.00 1.34 0.00 0.00 72.50 71.60 2jec s THR 159 CO 0.77 -0.46 1.45 0.29 -0.54 0.00 0.00 174.62 176.14 2jec n LYS 160 N -0.51 2.32 -4.23 3.99 5.02 -1.26 -4.73 118.16 118.77 2jec n LYS 160 Ca -0.07 0.82 -0.17 0.00 -2.02 0.00 0.00 58.31 56.88 2jec n LYS 160 Cb 0.61 -2.51 -0.13 0.00 -0.02 0.00 0.00 35.03 32.98 2jec n LYS 160 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2jec s VAL 161 N -0.35 0.69 1.03 -0.18 -7.23 -1.26 -1.53 120.40 111.57 2jec s VAL 161 Ca 0.63 -0.68 -0.12 0.00 -1.81 0.00 0.00 61.98 59.99 2jec s VAL 161 Cb -0.57 -0.64 0.21 0.00 0.56 0.00 0.00 36.38 35.94 2jec s VAL 161 CO 0.53 -0.03 1.08 -0.94 -0.31 0.00 0.00 175.10 175.43 2jec s SER 162 N -0.79 2.32 0.55 4.85 1.04 0.01 -4.84 113.70 116.84 2jec s SER 162 Ca -0.01 1.26 0.30 0.00 0.48 0.00 0.00 55.95 57.99 2jec s SER 162 Cb -0.06 -1.95 1.47 0.00 0.10 0.00 0.00 66.02 65.58 2jec s SER 162 CO 0.00 -3.33 1.90 0.77 0.98 0.00 0.00 173.24 173.56 2jec h SER 163 N -2.03 0.00 0.93 7.02 4.64 -2.02 0.22 113.55 122.31 2jec h SER 163 Ca -0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 2jec h SER 163 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2jec h SER 163 CO 0.56 0.00 -0.00 -1.54 -0.87 0.00 0.00 176.83 174.98 2jec n SER 164 N -4.18 0.00 0.00 4.97 3.41 -1.26 -4.91 113.62 111.65 2jec n SER 164 Ca 0.16 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 2jec n SER 164 Cb 0.88 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2jec n SER 164 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jec n GLY 165 N 1.47 0.76 3.67 5.00 0.00 0.77 -5.05 105.19 111.81 2jec n GLY 165 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2jec n GLY 165 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jec s ASP 166 N -2.43 7.04 0.70 1.61 2.15 -1.26 -4.72 116.67 119.75 2jec s ASP 166 Ca 0.00 1.65 -0.15 0.00 0.43 0.00 0.00 52.55 54.48 2jec s ASP 166 Cb 0.00 -2.55 0.02 0.00 -0.30 0.00 0.00 42.92 40.10 2jec s ASP 166 CO 0.00 -0.66 1.15 -2.16 -0.17 0.00 0.00 175.17 173.33 2jec s PRO 167 N 2.90 2.46 0.11 4.34 0.04 -1.26 -0.81 135.00 142.77 2jec s PRO 167 Ca 0.52 1.55 0.08 0.00 0.04 0.00 0.00 61.00 63.19 2jec s PRO 167 Cb -0.21 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2jec s PRO 167 CO 0.15 -1.54 -0.13 -0.65 0.04 0.00 0.00 177.00 174.87 2jec s GLN 168 N -4.04 1.99 0.88 4.56 -1.52 -0.58 -4.86 119.66 116.07 2jec s GLN 168 Ca 0.70 -1.09 -0.12 0.00 -1.95 0.00 0.00 55.36 52.90 2jec s GLN 168 Cb -0.24 -2.23 0.12 0.00 -0.22 0.00 0.00 33.01 30.44 2jec s GLN 168 CO 0.44 0.50 1.10 0.20 -0.25 0.00 0.00 175.29 177.28 2jec s GLY 169 N -2.19 1.60 -1.43 3.09 0.00 -1.26 -4.40 107.32 102.73 2jec s GLY 169 Ca 0.20 -0.26 -0.08 0.00 0.00 0.00 0.00 44.72 44.58 2jec s GLY 169 CO 0.12 0.24 0.89 0.70 0.00 0.00 0.00 173.10 175.05 2jec n ASN 170 N -3.73 -3.50 -4.43 1.64 5.03 0.37 -4.83 115.26 105.82 2jec n ASN 170 Ca 0.07 -0.78 -0.29 0.00 0.87 0.00 0.00 54.58 54.44 2jec n ASN 170 Cb 0.57 -4.03 -0.12 0.00 -1.02 0.00 0.00 39.78 35.17 2jec n ASN 170 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2jec s SER 171 N -3.72 3.58 -0.10 6.41 0.15 -1.13 -4.96 113.70 113.93 2jec s SER 171 Ca 0.40 -0.64 -0.06 0.00 0.70 0.00 0.00 55.95 56.35 2jec s SER 171 Cb -0.20 -0.39 0.04 0.00 -1.71 0.00 0.00 66.02 63.76 2jec s SER 171 CO 0.82 0.19 0.24 0.54 1.20 0.00 0.00 173.24 176.23 2jec s VAL 172 N -1.07 -0.02 0.18 4.45 0.11 -1.26 -1.04 120.40 121.75 2jec s VAL 172 Ca 0.16 0.09 -0.19 0.00 -2.93 0.00 0.00 61.98 59.10 2jec s VAL 172 Cb -0.10 -0.36 0.04 0.00 -1.53 0.00 0.00 36.38 34.43 2jec s VAL 172 CO 0.07 0.04 0.54 -0.83 -3.33 0.00 0.00 175.10 171.59 2jec s GLY 173 N 0.78 -0.31 0.06 6.54 0.00 -0.95 -0.28 107.32 113.17 2jec s GLY 173 Ca -0.05 0.05 -0.08 0.00 0.00 0.00 0.00 44.72 44.64 2jec s GLY 173 CO -0.05 -0.11 0.16 0.50 0.00 0.00 0.00 173.10 173.60 2jec s ARG 174 N -3.82 0.73 -0.08 2.90 0.52 -0.57 -1.85 118.95 116.78 2jec s ARG 174 Ca 0.05 -0.84 -0.01 0.00 -0.52 0.00 0.00 55.73 54.42 2jec s ARG 174 Cb -0.01 0.29 0.03 0.00 0.52 0.00 0.00 34.95 35.78 2jec s ARG 174 CO -0.07 -0.21 -0.03 0.00 0.02 0.00 0.00 175.30 175.00 2jec s ALA 175 N -3.22 0.94 0.05 2.13 0.00 0.13 -0.55 121.76 121.23 2jec s ALA 175 Ca 0.00 -0.28 0.04 0.00 0.00 0.00 0.00 51.96 51.72 2jec s ALA 175 Cb 0.02 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 2jec s ALA 175 CO -0.07 -0.40 -0.02 -0.51 0.00 0.00 0.00 175.76 174.75 2jec s LEU 176 N 1.78 3.37 0.31 0.00 1.43 -0.03 -1.02 118.68 124.53 2jec s LEU 176 Ca 0.04 -0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 2jec s LEU 176 Cb -0.13 -2.03 -0.10 0.00 0.03 0.00 0.00 46.19 43.96 2jec s LEU 176 CO -0.06 0.23 1.21 0.12 0.23 0.00 0.00 176.35 178.08 2jec s PHE 177 N -1.18 3.28 0.16 0.29 5.36 -0.61 -0.22 117.98 125.07 2jec s PHE 177 Ca 0.22 1.54 -0.14 0.00 -0.96 0.00 0.00 56.93 57.60 2jec s PHE 177 Cb -0.11 -3.50 0.05 0.00 -0.34 0.00 0.00 43.02 39.12 2jec s PHE 177 CO 0.13 -1.28 1.74 -0.92 -1.46 0.00 0.00 175.22 173.44 2jec h TYR 178 N 3.55 0.77 -3.39 10.12 5.03 -1.15 -3.43 116.97 128.47 2jec h TYR 178 Ca -0.48 -0.04 -0.54 0.00 2.58 0.00 0.00 58.73 60.26 2jec h TYR 178 Cb 1.22 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 39.25 2jec h TYR 178 CO 0.57 0.60 0.41 0.00 -1.32 0.00 0.00 178.16 178.42 2jec s ALA 179 N -5.70 3.22 0.74 1.82 0.00 -1.26 -5.01 121.76 115.57 2jec s ALA 179 Ca -0.13 0.61 -0.15 0.00 0.00 0.00 0.00 51.96 52.29 2jec s ALA 179 Cb 0.12 -3.36 0.04 0.00 0.00 0.00 0.00 23.12 19.93 2jec s ALA 179 CO 0.77 -0.25 1.25 -2.14 0.00 0.00 0.00 175.76 175.39 2jec s PRO 180 N 0.89 2.03 -0.13 0.00 0.02 -1.26 -4.81 135.00 131.74 2jec s PRO 180 Ca 0.53 1.90 0.01 0.00 0.02 0.00 0.00 61.00 63.46 2jec s PRO 180 Cb -0.23 -1.80 -0.01 0.00 0.02 0.00 0.00 34.50 32.48 2jec s PRO 180 CO 0.29 -1.96 -0.17 0.08 -0.33 0.00 0.00 177.00 174.91 2jec s VAL 181 N -1.81 2.63 -0.40 3.83 1.01 0.36 -4.94 120.40 121.09 2jec s VAL 181 Ca 0.78 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 61.73 2jec s VAL 181 Cb -0.33 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 33.98 2jec s VAL 181 CO 0.46 0.53 0.73 -2.28 0.00 0.00 0.00 175.10 174.54 2jec s HIS 182 N 0.51 3.08 -0.27 5.22 2.46 -1.26 -0.96 115.29 124.07 2jec s HIS 182 Ca -0.11 0.31 0.05 0.00 0.47 0.00 0.00 55.06 55.78 2jec s HIS 182 Cb -0.16 -3.41 -0.04 0.00 -0.13 0.00 0.00 32.58 28.84 2jec s HIS 182 CO 0.05 -0.80 0.25 0.44 -2.47 0.00 0.00 174.74 172.21 2jec n ILE 183 N 5.85 0.00 -3.54 0.89 -5.35 0.54 -4.72 119.36 113.04 2jec n ILE 183 Ca 0.01 -0.40 -0.11 0.00 -0.27 0.00 0.00 62.75 61.98 2jec n ILE 183 Cb 0.48 1.01 -0.03 0.00 -1.74 0.00 0.00 39.64 39.37 2jec n ILE 183 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 2jec s TRP 184 N -1.34 -0.39 0.21 4.28 -0.11 -1.17 -4.74 118.94 115.69 2jec s TRP 184 Ca 0.02 0.12 -0.12 0.00 1.22 0.00 0.00 56.10 57.34 2jec s TRP 184 Cb 0.04 0.49 0.00 0.00 -1.50 0.00 0.00 33.47 32.50 2jec s TRP 184 CO 0.18 -0.86 0.42 -1.83 -4.62 0.00 0.00 176.95 170.24 2jec s GLU 185 N -3.79 1.39 0.34 5.86 -1.05 -1.26 -4.73 118.70 115.46 2jec s GLU 185 Ca 0.03 -1.16 0.08 0.00 -0.15 0.00 0.00 54.97 53.78 2jec s GLU 185 Cb -0.01 0.45 0.80 0.00 -0.44 0.00 0.00 34.13 34.93 2jec s GLU 185 CO -0.10 -0.56 1.84 1.57 0.95 0.00 0.00 175.26 178.95 2jec h LYS 186 N 2.33 0.70 -0.33 -4.83 2.10 -2.02 -2.23 116.57 112.29 2jec h LYS 186 Ca -0.28 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 2jec h LYS 186 Cb 1.25 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 2jec h LYS 186 CO 0.40 0.46 0.00 -1.13 -2.00 0.00 0.00 179.45 177.18 2jec n SER 187 N -4.62 2.02 -4.78 7.07 3.41 -1.26 -4.97 113.62 110.49 2jec n SER 187 Ca 0.20 -1.91 -0.37 0.00 -0.26 0.00 0.00 58.87 56.52 2jec n SER 187 Cb 0.52 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 2jec n SER 187 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jec s ALA 188 N -1.57 3.06 -0.22 7.33 0.00 -0.84 -3.22 121.76 126.31 2jec s ALA 188 Ca 0.28 0.80 -0.05 0.00 0.00 0.00 0.00 51.96 53.00 2jec s ALA 188 Cb 0.15 -3.32 -0.11 0.00 0.00 0.00 0.00 23.12 19.84 2jec s ALA 188 CO 0.21 -0.38 -0.24 0.28 0.00 0.00 0.00 175.76 175.63 2jec n VAL 189 N -0.16 1.21 -3.70 0.00 0.31 0.38 -4.87 118.33 111.49 2jec n VAL 189 Ca 0.06 -0.38 -0.12 0.00 -0.01 0.00 0.00 64.34 63.88 2jec n VAL 189 Cb 0.49 -1.54 -0.10 0.00 -0.91 0.00 0.00 33.84 31.79 2jec n VAL 189 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2jec s VAL 190 N -2.41 -0.01 0.03 2.52 0.11 -1.16 -4.86 120.40 114.62 2jec s VAL 190 Ca -0.30 0.03 0.08 0.00 -2.93 0.00 0.00 61.98 58.86 2jec s VAL 190 Cb 0.10 -0.68 -0.02 0.00 -1.53 0.00 0.00 36.38 34.24 2jec s VAL 190 CO 0.43 0.01 -0.23 0.00 -3.33 0.00 0.00 175.10 171.99 2jec s ALA 191 N 0.68 1.92 0.07 1.54 0.00 -1.26 -0.52 121.76 124.18 2jec s ALA 191 Ca -0.03 -1.09 -0.07 0.00 0.00 0.00 0.00 51.96 50.76 2jec s ALA 191 Cb -0.05 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 2jec s ALA 191 CO -0.05 0.45 0.14 -1.54 0.00 0.00 0.00 175.76 174.76 2jec s SER 192 N -1.02 0.18 0.05 0.00 1.04 -0.41 -0.83 113.70 112.72 2jec s SER 192 Ca 0.09 -0.66 -0.15 0.00 0.48 0.00 0.00 55.95 55.70 2jec s SER 192 Cb -0.09 0.29 0.03 0.00 0.10 0.00 0.00 66.02 66.35 2jec s SER 192 CO 0.01 -0.65 0.35 0.72 0.98 0.00 0.00 173.24 174.65 2jec s PHE 193 N -3.54 -0.16 0.01 5.02 -0.12 -0.63 -1.08 117.98 117.49 2jec s PHE 193 Ca 0.03 0.03 0.01 0.00 -0.05 0.00 0.00 56.93 56.94 2jec s PHE 193 Cb 0.04 0.15 -0.01 0.00 -0.63 0.00 0.00 43.02 42.57 2jec s PHE 193 CO -0.09 -0.55 -0.04 -0.51 -0.05 0.00 0.00 175.22 173.98 2jec s ASP 194 N -2.15 0.41 -0.01 1.98 1.11 -0.45 -1.38 116.67 116.17 2jec s ASP 194 Ca -0.04 -0.29 -0.03 0.00 0.18 0.00 0.00 52.55 52.37 2jec s ASP 194 Cb -0.00 0.02 -0.00 0.00 1.07 0.00 0.00 42.92 44.01 2jec s ASP 194 CO -0.04 -0.12 0.06 0.00 1.18 0.00 0.00 175.17 176.25 2jec s ALA 195 N -0.76 -0.14 0.00 5.23 0.00 0.39 -1.00 121.76 125.48 2jec s ALA 195 Ca -0.06 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.85 2jec s ALA 195 Cb -0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 2jec s ALA 195 CO -0.00 -0.11 -0.10 0.99 0.00 0.00 0.00 175.76 176.54 2jec s THR 196 N -0.66 0.77 0.02 0.00 2.01 -0.65 -0.02 115.64 117.11 2jec s THR 196 Ca -0.07 -0.52 -0.08 0.00 0.31 0.00 0.00 61.69 61.32 2jec s THR 196 Cb -0.05 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.80 2jec s THR 196 CO 0.00 0.14 0.16 0.72 -0.69 0.00 0.00 174.62 174.95 2jec s PHE 197 N -0.38 0.06 0.13 4.92 -0.12 -0.63 -0.67 117.98 121.29 2jec s PHE 197 Ca 0.02 -0.23 0.07 0.00 -0.05 0.00 0.00 56.93 56.74 2jec s PHE 197 Cb -0.05 -0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.25 2jec s PHE 197 CO -0.00 -0.36 -0.04 0.95 -0.05 0.00 0.00 175.22 175.73 2jec s THR 198 N -2.01 3.66 0.06 -4.49 -4.23 -0.78 -1.08 115.64 106.77 2jec s THR 198 Ca -0.10 -1.29 -0.12 0.00 -1.18 0.00 0.00 61.69 59.01 2jec s THR 198 Cb -0.04 -2.78 0.01 0.00 1.34 0.00 0.00 72.50 71.03 2jec s THR 198 CO -0.01 0.01 0.26 0.72 -0.54 0.00 0.00 174.62 175.06 2jec s PHE 199 N -1.48 -0.02 -0.22 3.99 -0.71 -0.41 -1.50 117.98 117.63 2jec s PHE 199 Ca 0.25 -0.22 -0.04 0.00 -1.04 0.00 0.00 56.93 55.89 2jec s PHE 199 Cb -0.10 0.05 0.08 0.00 -1.21 0.00 0.00 43.02 41.83 2jec s PHE 199 CO 0.17 -0.51 0.09 -1.17 -1.34 0.00 0.00 175.22 172.46 2jec s LEU 200 N -2.30 0.78 -0.33 -1.99 2.96 0.06 -0.51 118.68 117.35 2jec s LEU 200 Ca -0.02 -0.96 -0.12 0.00 -0.22 0.00 0.00 54.13 52.81 2jec s LEU 200 Cb 0.01 -0.42 -0.01 0.00 0.50 0.00 0.00 46.19 46.26 2jec s LEU 200 CO -0.06 -0.37 0.21 -0.63 -1.32 0.00 0.00 176.35 174.18 2jec s ILE 201 N 2.01 5.07 0.16 6.68 1.01 -1.26 -2.73 121.20 132.14 2jec s ILE 201 Ca 0.04 -0.28 0.08 0.00 0.00 0.00 0.00 60.65 60.49 2jec s ILE 201 Cb -0.16 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 2jec s ILE 201 CO -0.19 0.02 -0.08 -0.54 0.00 0.00 0.00 174.94 174.15 2jec s LYS 202 N 1.69 2.14 -0.21 2.79 1.02 -1.25 -0.31 119.74 125.60 2jec s LYS 202 Ca 0.06 -1.18 -0.25 0.00 0.02 0.00 0.00 55.97 54.62 2jec s LYS 202 Cb -0.17 -2.23 0.07 0.00 -0.52 0.00 0.00 37.83 34.97 2jec s LYS 202 CO 0.09 0.46 0.68 0.45 -0.92 0.00 0.00 175.35 176.11 2jec s SER 203 N -2.71 -0.70 0.00 2.83 0.15 -1.26 -0.69 113.70 111.32 2jec s SER 203 Ca 0.25 1.23 0.28 0.00 0.70 0.00 0.00 55.95 58.41 2jec s SER 203 Cb -0.09 1.22 1.01 0.00 -1.71 0.00 0.00 66.02 66.44 2jec s SER 203 CO 0.15 -0.31 1.73 -0.81 1.20 0.00 0.00 173.24 175.21 2jec n PRO 204 N 2.34 0.46 -2.77 5.44 -0.04 -1.26 -4.93 135.00 134.24 2jec n PRO 204 Ca -0.15 -0.19 -0.40 0.00 -0.04 0.00 0.00 63.50 62.73 2jec n PRO 204 Cb 0.56 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.46 2jec n PRO 204 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2jec s ASP 205 N -2.67 7.59 0.41 3.54 1.01 -1.26 -4.97 116.67 120.33 2jec s ASP 205 Ca 0.22 1.92 0.10 0.00 0.71 0.00 0.00 52.55 55.50 2jec s ASP 205 Cb 0.19 -2.60 0.87 0.00 1.01 0.00 0.00 42.92 42.40 2jec s ASP 205 CO 0.54 0.13 1.99 -0.09 0.21 0.00 0.00 175.17 177.95 2jec h ARG 206 N 4.03 0.29 -3.37 8.23 2.43 -1.96 -3.31 114.38 120.73 2jec h ARG 206 Ca -0.45 -0.04 -0.63 0.00 -0.81 0.00 0.00 59.98 58.04 2jec h ARG 206 Cb 1.20 -0.05 -0.41 0.00 -0.42 0.00 0.00 29.97 30.29 2jec h ARG 206 CO 0.67 0.32 -0.67 -1.21 -1.51 0.00 0.00 179.97 177.57 2jec s GLU 207 N -4.99 1.68 0.76 0.20 2.02 -1.26 -5.12 118.70 112.00 2jec s GLU 207 Ca -0.06 -2.33 -0.15 0.00 0.02 0.00 0.00 54.97 52.46 2jec s GLU 207 Cb 0.16 -2.96 0.05 0.00 0.10 0.00 0.00 34.13 31.48 2jec s GLU 207 CO 0.72 -1.11 1.18 -2.30 0.02 0.00 0.00 175.26 173.77 2jec n PRO 208 N 3.39 0.43 -3.56 0.39 -0.02 -1.25 -4.58 135.00 129.79 2jec n PRO 208 Ca 0.06 0.21 -0.11 0.00 -2.02 0.00 0.00 63.50 61.64 2jec n PRO 208 Cb 0.34 -2.42 -0.04 0.00 -0.02 0.00 0.00 33.50 31.36 2jec n PRO 208 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jec s ALA 209 N -1.92 -1.17 -0.04 3.55 0.00 -1.18 -4.09 121.76 116.90 2jec s ALA 209 Ca 0.75 0.18 0.08 0.00 0.00 0.00 0.00 51.96 52.97 2jec s ALA 209 Cb -0.32 0.71 -0.11 0.00 0.00 0.00 0.00 23.12 23.40 2jec s ALA 209 CO 0.49 -0.66 0.11 -0.25 0.00 0.00 0.00 175.76 175.44 2jec n ASP 210 N -0.19 3.09 0.00 0.00 8.00 -0.22 -2.85 116.55 124.38 2jec n ASP 210 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 2jec n ASP 210 Cb 0.64 1.06 0.00 0.00 -0.02 0.00 0.00 41.12 42.79 2jec n ASP 210 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jec n GLY 211 N 2.26 1.02 3.05 0.44 0.00 -1.21 -1.98 105.19 108.77 2jec n GLY 211 Ca -0.07 -1.93 -0.16 0.00 0.00 0.00 0.00 46.02 43.86 2jec n GLY 211 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jec s ILE 212 N -1.39 0.65 0.09 -0.61 1.01 -0.59 -2.73 121.20 117.62 2jec s ILE 212 Ca 0.00 -0.80 0.04 0.00 0.00 0.00 0.00 60.65 59.89 2jec s ILE 212 Cb 0.00 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.80 2jec s ILE 212 CO 0.00 -0.13 -0.11 0.42 0.00 0.00 0.00 174.94 175.12 2jec s THR 213 N -0.86 0.96 -0.15 2.92 -4.23 -0.12 0.09 115.64 114.25 2jec s THR 213 Ca -0.03 -1.59 -0.07 0.00 -1.18 0.00 0.00 61.69 58.82 2jec s THR 213 Cb -0.07 -1.31 -0.04 0.00 1.34 0.00 0.00 72.50 72.42 2jec s THR 213 CO 0.00 -0.51 0.08 0.12 -0.54 0.00 0.00 174.62 173.77 2jec s PHE 214 N -2.28 3.35 0.05 3.99 5.36 -0.77 -1.48 117.98 126.20 2jec s PHE 214 Ca 0.04 0.26 -0.04 0.00 -0.96 0.00 0.00 56.93 56.23 2jec s PHE 214 Cb -0.04 -1.99 -0.02 0.00 -0.34 0.00 0.00 43.02 40.62 2jec s PHE 214 CO 0.00 0.40 0.04 -0.59 -1.46 0.00 0.00 175.22 173.61 2jec s PHE 215 N -0.27 0.35 -0.05 10.12 -0.71 -0.29 -0.46 117.98 126.67 2jec s PHE 215 Ca 0.09 -0.81 0.02 0.00 -1.04 0.00 0.00 56.93 55.19 2jec s PHE 215 Cb -0.12 -0.25 0.01 0.00 -1.21 0.00 0.00 43.02 41.45 2jec s PHE 215 CO 0.01 -0.40 -0.10 0.42 -1.34 0.00 0.00 175.22 173.82 2jec s ILE 216 N -3.45 0.93 0.25 -4.49 1.01 0.43 -0.92 121.20 114.97 2jec s ILE 216 Ca 0.02 -0.38 -0.09 0.00 0.00 0.00 0.00 60.65 60.20 2jec s ILE 216 Cb 0.04 -0.86 -0.01 0.00 0.01 0.00 0.00 42.46 41.64 2jec s ILE 216 CO -0.08 0.30 0.41 0.00 0.00 0.00 0.00 174.94 175.57 2jec s ALA 217 N 0.57 0.16 0.40 9.38 0.00 -0.39 -1.76 121.76 130.12 2jec s ALA 217 Ca -0.11 -1.12 -0.24 0.00 0.00 0.00 0.00 51.96 50.50 2jec s ALA 217 Cb -0.14 1.14 -0.12 0.00 0.00 0.00 0.00 23.12 24.00 2jec s ALA 217 CO 0.02 -0.79 0.69 0.27 0.00 0.00 0.00 175.76 175.95 2jec n ASN 218 N -0.48 -0.22 0.07 0.00 6.94 -1.18 -0.90 115.26 119.48 2jec n ASN 218 Ca -0.01 0.97 0.14 0.00 -0.02 0.00 0.00 54.58 55.66 2jec n ASN 218 Cb 0.63 -1.18 0.62 0.00 -2.36 0.00 0.00 39.78 37.49 2jec n ASN 218 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 2jec h THR 219 N 1.07 0.87 -0.53 5.53 1.35 -1.84 -1.68 112.91 117.69 2jec h THR 219 Ca -0.41 -0.04 -0.09 0.00 -0.55 0.00 0.00 66.41 65.32 2jec h THR 219 Cb 1.38 0.75 -0.06 0.00 -1.73 0.00 0.00 68.15 68.50 2jec h THR 219 CO 0.54 0.02 0.12 -0.90 -0.25 0.00 0.00 175.52 175.05 2jec n ASP 220 N -4.46 4.48 -4.72 5.36 5.75 -1.26 -4.73 116.55 116.97 2jec n ASP 220 Ca 0.05 -2.86 -0.41 0.00 -0.01 0.00 0.00 54.79 51.56 2jec n ASP 220 Cb 0.36 -0.68 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 2jec n ASP 220 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 2jec n THR 221 N 0.20 2.31 -3.98 2.12 5.66 -0.63 -5.02 114.28 114.94 2jec n THR 221 Ca 0.28 -0.50 -0.09 0.00 -3.05 0.00 0.00 64.05 60.69 2jec n THR 221 Cb 1.10 -1.65 -0.08 0.00 -1.55 0.00 0.00 70.33 68.14 2jec n THR 221 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2jec s SER 222 N -0.40 0.22 -0.04 1.09 1.04 -1.26 -5.10 113.70 109.25 2jec s SER 222 Ca 0.58 -0.86 -0.30 0.00 0.48 0.00 0.00 55.95 55.85 2jec s SER 222 Cb -0.52 0.32 -0.07 0.00 0.10 0.00 0.00 66.02 65.85 2jec s SER 222 CO 0.60 -0.73 1.92 -0.63 0.98 0.00 0.00 173.24 175.38 2jec s ILE 223 N -3.92 3.18 0.59 -1.02 1.01 -1.26 -4.94 121.20 114.84 2jec s ILE 223 Ca 0.11 0.21 -0.18 0.00 0.00 0.00 0.00 60.65 60.79 2jec s ILE 223 Cb 0.06 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 2jec s ILE 223 CO -0.07 -0.04 1.15 -2.84 0.00 0.00 0.00 174.94 173.15 2jec s PRO 224 N 4.71 3.06 0.24 2.79 0.02 -1.26 -4.95 135.00 139.62 2jec s PRO 224 Ca 0.86 1.65 -0.31 0.00 0.02 0.00 0.00 61.00 63.22 2jec s PRO 224 Cb -0.38 -1.96 -0.11 0.00 0.02 0.00 0.00 34.50 32.07 2jec s PRO 224 CO 0.37 -1.09 1.65 0.45 -0.33 0.00 0.00 177.00 178.05 2jec s SER 225 N -1.88 6.40 0.00 2.53 0.15 -1.26 -2.90 113.70 116.74 2jec s SER 225 Ca 0.73 2.88 0.00 0.00 0.70 0.00 0.00 55.95 60.26 2jec s SER 225 Cb -0.26 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.44 2jec s SER 225 CO 0.33 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.44 2jec n GLY 226 N 3.17 0.55 1.16 9.45 0.00 -1.26 -4.56 105.19 113.69 2jec n GLY 226 Ca 0.12 -0.48 0.08 0.00 0.00 0.00 0.00 46.02 45.74 2jec n GLY 226 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jec n SER 227 N 0.87 3.39 -4.66 1.61 3.41 -1.14 -4.74 113.62 112.36 2jec n SER 227 Ca 0.00 -2.19 -0.29 0.00 -0.26 0.00 0.00 58.87 56.13 2jec n SER 227 Cb 0.00 -0.44 0.17 0.00 -0.26 0.00 0.00 64.21 63.68 2jec n SER 227 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2jec s GLY 228 N -0.88 1.59 0.00 5.00 0.00 -1.26 -0.57 107.32 111.19 2jec s GLY 228 Ca 0.38 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.96 2jec s GLY 228 CO 0.21 0.43 0.00 0.61 0.00 0.00 0.00 173.10 174.36 2jec n GLY 229 N -0.66 3.99 0.32 0.20 0.00 -1.21 -2.38 105.19 105.44 2jec n GLY 229 Ca 0.06 0.13 0.21 0.00 0.00 0.00 0.00 46.02 46.43 2jec n GLY 229 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jec h ARG 230 N 0.00 0.00 -0.01 1.61 0.11 -1.90 -1.64 114.38 112.54 2jec h ARG 230 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2jec h ARG 230 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2jec h ARG 230 CO 0.00 0.00 -0.03 1.28 0.10 0.00 0.00 179.97 181.32 2jec n LEU 231 N -3.00 1.32 -1.44 0.08 4.77 -1.00 -4.96 117.00 112.77 2jec n LEU 231 Ca -0.02 -0.43 -0.17 0.00 -0.03 0.00 0.00 56.01 55.36 2jec n LEU 231 Cb 0.09 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 2jec n LEU 231 CO 0.20 0.22 -0.17 0.18 -1.33 0.00 0.00 177.39 176.49 2jec n LEU 232 N -0.03 -1.35 -0.54 2.23 4.77 -0.62 -1.59 117.00 119.87 2jec n LEU 232 Ca 0.18 0.34 -0.07 0.00 -0.03 0.00 0.00 56.01 56.44 2jec n LEU 232 Cb 0.34 -2.46 -0.03 0.00 -2.33 0.00 0.00 43.42 38.93 2jec n LEU 232 CO 0.18 -0.76 -0.07 0.61 -1.33 0.00 0.00 177.39 176.02 2jec n GLY 233 N -0.89 0.86 0.06 -0.72 0.00 0.26 -4.17 105.19 100.58 2jec n GLY 233 Ca -0.18 -0.28 -0.07 0.00 0.00 0.00 0.00 46.02 45.49 2jec n GLY 233 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jec n LEU 234 N -0.80 1.45 -4.27 0.99 4.77 -0.62 -4.37 117.00 114.14 2jec n LEU 234 Ca -0.07 -0.03 -0.23 0.00 -0.03 0.00 0.00 56.01 55.64 2jec n LEU 234 Cb 0.35 -0.09 -0.12 0.00 -2.33 0.00 0.00 43.42 41.22 2jec n LEU 234 CO 0.11 0.48 -0.51 -0.36 -1.33 0.00 0.00 177.39 175.77 2jec s PHE 235 N -2.25 1.71 -0.94 -1.77 0.08 -1.21 -4.76 117.98 108.84 2jec s PHE 235 Ca -0.11 -0.42 0.27 0.00 0.12 0.00 0.00 56.93 56.79 2jec s PHE 235 Cb 0.04 -0.94 0.86 0.00 -0.57 0.00 0.00 43.02 42.41 2jec s PHE 235 CO 0.35 0.18 1.68 -0.35 -0.10 0.00 0.00 175.22 176.99 2jec n PRO 236 N 1.11 0.06 -3.88 0.24 -0.04 -1.26 -3.94 135.00 127.29 2jec n PRO 236 Ca -0.20 0.03 -0.09 0.00 -0.04 0.00 0.00 63.50 63.20 2jec n PRO 236 Cb 0.54 -1.55 -0.01 0.00 -0.04 0.00 0.00 33.50 32.44 2jec n PRO 236 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2jec s ASP 237 N -3.28 0.04 -0.27 3.54 1.47 -1.26 -4.75 116.67 112.16 2jec s ASP 237 Ca 0.12 -1.02 0.12 0.00 1.18 0.00 0.00 52.55 52.96 2jec s ASP 237 Cb 0.17 0.76 0.78 0.00 -0.34 0.00 0.00 42.92 44.30 2jec s ASP 237 CO 0.61 -1.48 1.76 0.00 0.68 0.00 0.00 175.17 176.74 2jec n ALA 238 N -0.50 4.14 0.79 2.11 0.00 -1.26 -4.74 120.51 121.05 2jec n ALA 238 Ca -0.05 -2.13 0.06 0.00 0.00 0.00 0.00 53.44 51.32 2jec n ALA 238 Cb 0.60 -1.15 0.37 0.00 0.00 0.00 0.00 19.45 19.27 2jec n ALA 238 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59