#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 3.13 0.96 3.17 0.00 -1.26 -5.04 121.76 122.72 2jec s ALA 3 Ca 0.00 0.47 -0.12 0.00 0.00 0.00 0.00 51.96 52.31 2jec s ALA 3 Cb 0.00 -3.17 0.12 0.00 0.00 0.00 0.00 23.12 20.07 2jec s ALA 3 CO 0.00 0.15 0.83 -0.25 0.00 0.00 0.00 175.76 176.49 2jec n ASP 4 N -0.00 -0.79 -4.39 0.00 8.00 -1.26 -5.02 116.55 113.09 2jec n ASP 4 Ca 0.04 0.31 -0.35 0.00 0.71 0.00 0.00 54.79 55.50 2jec n ASP 4 Cb 0.52 -1.34 -0.13 0.00 -0.02 0.00 0.00 41.12 40.14 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 -2.52 3.81 -0.08 -3.53 2.01 -1.26 -5.01 115.64 109.06 2jec s THR 5 Ca 0.63 -0.35 0.03 0.00 0.31 0.00 0.00 61.69 62.31 2jec s THR 5 Cb -0.22 -2.75 0.01 0.00 0.01 0.00 0.00 72.50 69.55 2jec s THR 5 CO 0.62 0.40 -0.17 -0.63 -0.69 0.00 0.00 174.62 174.15 2jec s ILE 6 N 1.37 1.52 -0.14 1.82 -1.09 -1.26 -3.17 121.20 120.25 2jec s ILE 6 Ca 0.05 -0.70 0.02 0.00 -2.23 0.00 0.00 60.65 57.79 2jec s ILE 6 Cb -0.15 -1.35 0.01 0.00 -1.58 0.00 0.00 42.46 39.40 2jec s ILE 6 CO 0.00 0.44 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.25 2jec s VAL 7 N 0.55 2.03 0.04 2.92 1.01 -0.58 -0.31 120.40 126.06 2jec s VAL 7 Ca -0.16 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 60.86 2jec s VAL 7 Cb -0.17 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 2jec s VAL 7 CO 0.06 0.54 -0.04 0.00 0.00 0.00 0.00 175.10 175.66 2jec s ALA 8 N 0.82 0.43 -0.25 5.51 0.00 0.55 -0.30 121.76 128.53 2jec s ALA 8 Ca -0.07 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 50.85 2jec s ALA 8 Cb -0.15 0.20 -0.00 0.00 0.00 0.00 0.00 23.12 23.17 2jec s ALA 8 CO -0.02 -0.26 0.00 0.08 0.00 0.00 0.00 175.76 175.56 2jec s VAL 9 N -2.91 3.60 -0.15 0.00 1.01 0.69 -0.29 120.40 122.35 2jec s VAL 9 Ca -0.01 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 2jec s VAL 9 Cb 0.01 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2jec s VAL 9 CO -0.06 0.28 0.11 -1.83 0.00 0.00 0.00 175.10 173.61 2jec s GLU 10 N 1.48 3.71 -0.65 2.72 -1.05 -0.19 -1.57 118.70 123.16 2jec s GLU 10 Ca 0.04 -0.22 -0.15 0.00 -0.15 0.00 0.00 54.97 54.50 2jec s GLU 10 Cb -0.15 -3.23 0.16 0.00 -0.44 0.00 0.00 34.13 30.47 2jec s GLU 10 CO -0.01 0.54 0.59 -0.51 0.95 0.00 0.00 175.26 176.82 2jec s LEU 11 N -0.36 6.36 -0.52 1.83 1.43 0.19 -1.14 118.68 126.46 2jec s LEU 11 Ca 0.11 -2.16 -0.15 0.00 -1.03 0.00 0.00 54.13 50.90 2jec s LEU 11 Cb -0.12 -2.19 0.12 0.00 0.03 0.00 0.00 46.19 44.03 2jec s LEU 11 CO 0.01 -0.73 0.46 -0.62 0.23 0.00 0.00 176.35 175.70 2jec s ASP 12 N 2.95 6.11 0.45 2.29 3.68 0.34 -1.65 116.67 130.82 2jec s ASP 12 Ca 0.09 -1.74 0.25 0.00 2.13 0.00 0.00 52.55 53.28 2jec s ASP 12 Cb -0.22 -2.17 0.68 0.00 -1.45 0.00 0.00 42.92 39.75 2jec s ASP 12 CO -0.02 -0.80 1.73 0.77 0.13 0.00 0.00 175.17 176.98 2jec h SER 13 N 8.80 0.00 -3.41 -0.34 4.64 -1.74 -1.50 113.55 120.01 2jec h SER 13 Ca -0.28 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.38 2jec h SER 13 Cb 1.10 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.83 2jec h SER 13 CO 0.99 0.11 -0.83 -0.47 -0.87 0.00 0.00 176.83 175.76 2jec s TYR 14 N -3.37 2.80 -0.35 4.77 5.04 -1.24 -4.41 117.35 120.58 2jec s TYR 14 Ca 0.04 -1.82 -0.28 0.00 -2.44 0.00 0.00 57.07 52.56 2jec s TYR 14 Cb 0.07 -1.83 -0.01 0.00 0.35 0.00 0.00 41.96 40.54 2jec s TYR 14 CO 0.64 -0.81 1.70 -2.14 -1.34 0.00 0.00 175.55 173.61 2jec s PRO 15 N 1.27 3.39 -1.00 4.97 0.02 -1.26 -4.93 135.00 137.46 2jec s PRO 15 Ca -0.01 1.30 -0.11 0.00 0.02 0.00 0.00 61.00 62.20 2jec s PRO 15 Cb -0.16 -4.16 0.26 0.00 0.02 0.00 0.00 34.50 30.46 2jec s PRO 15 CO -0.09 -1.79 0.98 -0.80 -0.33 0.00 0.00 177.00 174.97 2jec s ASN 16 N 5.56 7.10 0.59 2.53 -0.87 -1.26 -4.89 114.94 123.69 2jec s ASN 16 Ca 0.75 -3.27 0.38 0.00 -1.57 0.00 0.00 52.86 49.15 2jec s ASN 16 Cb -0.20 -2.20 1.78 0.00 -0.02 0.00 0.00 41.25 40.60 2jec s ASN 16 CO 0.33 -0.39 2.13 0.71 -2.57 0.00 0.00 177.10 177.31 2jec h THR 17 N 4.09 0.00 -0.86 1.60 1.35 -1.88 -1.69 112.91 115.51 2jec h THR 17 Ca 0.15 -0.29 0.12 0.00 -0.55 0.00 0.00 66.41 65.84 2jec h THR 17 Cb 0.93 1.28 -0.08 0.00 -1.73 0.00 0.00 68.15 68.55 2jec h THR 17 CO 0.91 0.00 0.48 -0.78 -0.25 0.00 0.00 175.52 175.89 2jec h ASP 18 N 0.00 0.66 -0.46 5.36 3.58 -1.90 -2.87 116.42 120.79 2jec h ASP 18 Ca 0.00 0.06 -0.23 0.00 0.42 0.00 0.00 57.03 57.28 2jec h ASP 18 Cb 0.30 -0.06 -0.14 0.00 1.72 0.00 0.00 39.33 41.15 2jec h ASP 18 CO 0.00 0.34 0.04 2.30 -2.88 0.00 0.00 179.24 179.04 2jec n ILE 19 N -4.77 2.66 -0.69 2.25 -5.35 -0.68 -4.95 119.36 107.83 2jec n ILE 19 Ca 0.16 -2.59 0.00 0.00 -0.27 0.00 0.00 62.75 60.04 2jec n ILE 19 Cb 0.35 -0.34 0.00 0.00 -1.74 0.00 0.00 39.64 37.91 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 -1.10 0.96 3.63 3.28 0.00 -1.08 -4.66 105.19 106.22 2jec n GLY 20 Ca 0.37 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.99 2jec n GLY 20 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jec n ASP 21 N 0.00 1.47 -4.75 1.61 8.00 -0.92 -4.95 116.55 117.01 2jec n ASP 21 Ca 0.00 1.01 -0.31 0.00 0.71 0.00 0.00 54.79 56.20 2jec n ASP 21 Cb 0.00 -1.40 0.11 0.00 -0.02 0.00 0.00 41.12 39.81 2jec n ASP 21 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2jec s PRO 22 N -2.21 1.86 -0.22 -0.24 0.04 -1.26 -4.21 135.00 128.75 2jec s PRO 22 Ca 0.65 1.04 -0.05 0.00 0.04 0.00 0.00 61.00 62.68 2jec s PRO 22 Cb -0.52 -1.86 -0.15 0.00 0.04 0.00 0.00 34.50 32.01 2jec s PRO 22 CO 0.55 -1.88 3.32 -1.71 0.04 0.00 0.00 177.00 177.32 2jec n ASN 23 N -3.67 5.80 -3.50 6.66 4.05 -1.26 -4.65 115.26 118.69 2jec n ASN 23 Ca 0.08 -2.72 -0.10 0.00 0.45 0.00 0.00 54.58 52.29 2jec n ASN 23 Cb 0.54 -1.37 -0.03 0.00 1.23 0.00 0.00 39.78 40.15 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 0.17 -0.40 0.36 1.20 -0.85 -1.26 -5.01 117.35 111.56 2jec s TYR 24 Ca 0.64 0.36 -0.27 0.00 -0.52 0.00 0.00 57.07 57.28 2jec s TYR 24 Cb 0.33 0.52 -0.12 0.00 0.38 0.00 0.00 41.96 43.07 2jec s TYR 24 CO -0.07 -0.57 1.22 -2.30 -1.52 0.00 0.00 175.55 172.31 2jec n PRO 25 N -0.04 1.91 -3.74 -3.49 -0.02 -1.26 -4.54 135.00 123.81 2jec n PRO 25 Ca -0.11 0.67 -0.11 0.00 -2.02 0.00 0.00 63.50 61.93 2jec n PRO 25 Cb 0.61 -2.25 -0.07 0.00 -0.02 0.00 0.00 33.50 31.78 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 -1.13 -0.11 -0.15 6.00 -3.43 -0.56 -0.23 115.29 115.68 2jec s HIS 26 Ca 0.58 -0.09 -0.07 0.00 -0.80 0.00 0.00 55.06 54.67 2jec s HIS 26 Cb -0.57 0.12 -0.04 0.00 -1.43 0.00 0.00 32.58 30.65 2jec s HIS 26 CO 0.61 -0.55 0.09 -1.50 -2.00 0.00 0.00 174.74 171.38 2jec s ILE 27 N -2.96 5.03 0.06 -5.38 2.07 -0.38 -0.51 121.20 119.13 2jec s ILE 27 Ca -0.02 0.04 0.01 0.00 -1.41 0.00 0.00 60.65 59.27 2jec s ILE 27 Cb 0.00 -3.23 -0.03 0.00 0.13 0.00 0.00 42.46 39.34 2jec s ILE 27 CO -0.06 0.52 -0.06 -0.83 -1.91 0.00 0.00 174.94 172.61 2jec s GLY 28 N -0.23 0.55 -0.24 1.50 0.00 -0.29 -1.33 107.32 107.29 2jec s GLY 28 Ca 0.09 -1.03 -0.06 0.00 0.00 0.00 0.00 44.72 43.72 2jec s GLY 28 CO 0.01 -1.12 0.01 -0.42 0.00 0.00 0.00 173.10 171.59 2jec s ILE 29 N -2.67 3.82 -0.21 0.90 1.01 -0.00 -1.02 121.20 123.02 2jec s ILE 29 Ca 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 2jec s ILE 29 Cb -0.01 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 2jec s ILE 29 CO -0.04 0.37 -0.03 -1.81 0.00 0.00 0.00 174.94 173.44 2jec s ASP 30 N 1.54 4.51 -0.34 3.58 1.01 0.60 -0.32 116.67 127.26 2jec s ASP 30 Ca 0.06 -0.31 0.04 0.00 0.71 0.00 0.00 52.55 53.05 2jec s ASP 30 Cb -0.15 -1.77 0.10 0.00 1.01 0.00 0.00 42.92 42.11 2jec s ASP 30 CO 0.00 0.02 0.05 -0.63 0.21 0.00 0.00 175.17 174.82 2jec s ILE 31 N 1.22 2.22 -0.26 0.77 -1.09 -1.26 -0.33 121.20 122.47 2jec s ILE 31 Ca 0.03 -2.30 0.00 0.00 -2.23 0.00 0.00 60.65 56.15 2jec s ILE 31 Cb -0.14 -2.64 0.00 0.00 -1.58 0.00 0.00 42.46 38.10 2jec s ILE 31 CO -0.00 -0.59 0.00 0.29 -1.23 0.00 0.00 174.94 173.40 2jec n LYS 32 N 4.28 -1.39 -3.63 2.79 5.02 0.57 -4.93 118.16 120.87 2jec n LYS 32 Ca 0.03 0.47 -0.15 0.00 -2.02 0.00 0.00 58.31 56.65 2jec n LYS 32 Cb 0.42 -4.57 -0.07 0.00 -0.02 0.00 0.00 35.03 30.79 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 -2.14 -0.62 0.52 4.39 0.15 -1.26 -4.94 113.70 109.81 2jec s SER 33 Ca 0.00 1.01 0.25 0.00 0.70 0.00 0.00 55.95 57.91 2jec s SER 33 Cb 0.00 0.99 1.44 0.00 -1.71 0.00 0.00 66.02 66.75 2jec s SER 33 CO 0.00 -0.35 2.10 -0.29 1.20 0.00 0.00 173.24 175.91 2jec h ILE 34 N 3.80 0.69 -1.86 6.45 6.09 -1.86 -3.40 117.51 127.44 2jec h ILE 34 Ca -0.28 -0.40 -0.53 0.00 -1.37 0.00 0.00 64.86 62.28 2jec h ILE 34 Cb 1.16 1.24 -0.07 0.00 0.47 0.00 0.00 36.82 39.62 2jec h ILE 34 CO 0.21 0.10 1.19 -0.13 -3.07 0.00 0.00 178.15 176.45 2jec s ARG 35 N -4.43 3.13 0.29 2.19 0.52 -1.26 -4.96 118.95 114.42 2jec s ARG 35 Ca -0.04 -0.30 -0.29 0.00 -0.52 0.00 0.00 55.73 54.58 2jec s ARG 35 Cb 0.14 -4.57 -0.14 0.00 0.52 0.00 0.00 34.95 30.90 2jec s ARG 35 CO 0.60 -2.37 1.14 0.43 0.02 0.00 0.00 175.30 175.12 2jec n SER 36 N 10.26 1.84 0.21 0.23 7.64 -1.26 -4.83 113.62 127.70 2jec n SER 36 Ca 0.16 1.18 0.09 0.00 1.01 0.00 0.00 58.87 61.31 2jec n SER 36 Cb 0.50 -1.35 0.41 0.00 -1.01 0.00 0.00 64.21 62.76 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 2.51 0.00 -2.38 1.43 1.79 -1.01 -3.44 116.57 115.48 2jec h LYS 37 Ca -0.42 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 57.97 2jec h LYS 37 Cb 1.32 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.74 2jec h LYS 37 CO 0.64 0.26 -0.07 0.45 -1.08 0.00 0.00 179.45 179.65 2jec s SER 38 N -6.24 -0.60 0.13 0.86 0.15 -1.23 -5.01 113.70 101.76 2jec s SER 38 Ca 0.01 1.14 0.02 0.00 0.70 0.00 0.00 55.95 57.81 2jec s SER 38 Cb 0.10 1.14 -0.04 0.00 -1.71 0.00 0.00 66.02 65.51 2jec s SER 38 CO 0.65 -0.20 -0.03 0.42 1.20 0.00 0.00 173.24 175.28 2jec s THR 39 N 0.42 0.66 0.02 6.45 -4.23 -1.26 -0.82 115.64 116.87 2jec s THR 39 Ca -0.01 -1.96 -0.09 0.00 -1.18 0.00 0.00 61.69 58.45 2jec s THR 39 Cb -0.04 -1.89 0.01 0.00 1.34 0.00 0.00 72.50 71.91 2jec s THR 39 CO -0.01 -0.68 0.18 0.00 -0.54 0.00 0.00 174.62 173.58 2jec s ALA 40 N -3.66 -0.40 0.16 3.99 0.00 -0.45 -4.99 121.76 116.41 2jec s ALA 40 Ca 0.18 -0.14 -0.31 0.00 0.00 0.00 0.00 51.96 51.69 2jec s ALA 40 Cb 0.06 0.18 -0.08 0.00 0.00 0.00 0.00 23.12 23.27 2jec s ALA 40 CO -0.01 -0.28 1.33 0.50 0.00 0.00 0.00 175.76 177.30 2jec s ARG 41 N -1.89 4.37 -0.30 0.00 3.52 -1.26 -1.25 118.95 122.13 2jec s ARG 41 Ca -0.10 2.04 -0.08 0.00 -0.13 0.00 0.00 55.73 57.45 2jec s ARG 41 Cb -0.04 -3.23 -0.00 0.00 -1.56 0.00 0.00 34.95 30.12 2jec s ARG 41 CO -0.00 -0.32 0.12 -0.46 -0.81 0.00 0.00 175.30 173.82 2jec s TRP 42 N 0.56 3.16 -0.83 5.12 -0.00 0.68 -4.74 118.94 122.89 2jec s TRP 42 Ca 0.60 -0.74 -0.22 0.00 -0.00 0.00 0.00 56.10 55.74 2jec s TRP 42 Cb -0.36 -2.31 0.08 0.00 -0.00 0.00 0.00 33.47 30.88 2jec s TRP 42 CO 0.34 -0.50 1.17 -0.80 -0.00 0.00 0.00 176.95 177.16 2jec s ASN 43 N 1.56 6.38 0.46 5.86 0.01 -1.26 -4.48 114.94 123.47 2jec s ASN 43 Ca 0.04 -1.32 -0.24 0.00 -0.71 0.00 0.00 52.86 50.64 2jec s ASN 43 Cb -0.17 -2.47 -0.07 0.00 0.41 0.00 0.00 41.25 38.95 2jec s ASN 43 CO 0.04 -1.41 1.25 -0.04 -1.51 0.00 0.00 177.10 175.44 2jec s MET 44 N 4.13 3.67 -0.69 -0.60 -1.94 -1.26 -4.99 119.30 117.63 2jec s MET 44 Ca 0.33 2.00 0.05 0.00 -1.71 0.00 0.00 55.69 56.36 2jec s MET 44 Cb -0.08 -2.48 0.19 0.00 2.01 0.00 0.00 34.83 34.48 2jec s MET 44 CO 0.01 -0.69 0.57 1.04 -0.01 0.00 0.00 175.02 175.93 2jec n GLN 45 N -0.43 2.04 -1.63 2.03 6.02 -1.26 -5.10 117.38 119.04 2jec n GLN 45 Ca 0.07 -4.54 -0.47 0.00 -0.01 0.00 0.00 57.00 52.05 2jec n GLN 45 Cb 0.46 -2.28 -0.04 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 1.63 0.66 -0.43 5.09 -1.04 -1.26 -1.70 114.28 117.22 2jec n THR 46 Ca 0.23 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 2jec n THR 46 Cb 0.37 -1.20 0.00 0.00 -1.82 0.00 0.00 70.33 67.68 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 2.36 1.01 3.46 3.41 0.00 0.19 -4.97 105.19 110.66 2jec n GLY 47 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.43 1.86 -0.15 1.61 -0.14 -0.69 -4.99 119.74 116.82 2jec s LYS 48 Ca 0.00 -1.12 -0.29 0.00 -1.36 0.00 0.00 55.97 53.20 2jec s LYS 48 Cb 0.00 -2.12 -0.02 0.00 -1.68 0.00 0.00 37.83 34.02 2jec s LYS 48 CO 0.00 0.50 1.24 0.08 -0.76 0.00 0.00 175.35 176.41 2jec s VAL 49 N -1.04 4.30 0.36 3.17 1.01 -1.26 -4.42 120.40 122.52 2jec s VAL 49 Ca 0.16 1.58 0.07 0.00 0.00 0.00 0.00 61.98 63.80 2jec s VAL 49 Cb -0.10 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 2jec s VAL 49 CO 0.08 -0.12 0.35 -0.83 0.00 0.00 0.00 175.10 174.58 2jec s GLY 50 N 1.84 1.83 -0.03 4.51 0.00 -0.28 -4.45 107.32 110.74 2jec s GLY 50 Ca 0.54 -1.67 0.02 0.00 0.00 0.00 0.00 44.72 43.61 2jec s GLY 50 CO 0.15 -1.57 -0.07 -1.59 0.00 0.00 0.00 173.10 170.03 2jec s THR 51 N -2.32 0.65 -0.09 0.90 2.01 0.01 -1.47 115.64 115.34 2jec s THR 51 Ca 0.44 -0.27 0.04 0.00 0.31 0.00 0.00 61.69 62.21 2jec s THR 51 Cb -0.06 -0.61 -0.00 0.00 0.01 0.00 0.00 72.50 71.84 2jec s THR 51 CO 0.28 0.22 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.50 2jec s VAL 52 N 0.36 2.05 -0.11 3.82 1.01 0.31 -1.49 120.40 126.35 2jec s VAL 52 Ca -0.05 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.93 2jec s VAL 52 Cb -0.09 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.52 2jec s VAL 52 CO 0.00 0.56 -0.23 -1.00 0.00 0.00 0.00 175.10 174.44 2jec s HIS 53 N 0.23 2.61 0.01 5.22 3.76 -0.53 -1.55 115.29 125.04 2jec s HIS 53 Ca -0.15 -1.06 0.06 0.00 -0.15 0.00 0.00 55.06 53.75 2jec s HIS 53 Cb -0.17 -1.74 -0.02 0.00 1.11 0.00 0.00 32.58 31.76 2jec s HIS 53 CO 0.08 -0.44 -0.17 0.42 -0.85 0.00 0.00 174.74 173.78 2jec s ILE 54 N 0.43 1.36 0.01 0.60 1.01 0.74 -1.09 121.20 124.26 2jec s ILE 54 Ca -0.16 -0.90 -0.15 0.00 0.00 0.00 0.00 60.65 59.44 2jec s ILE 54 Cb -0.17 -1.16 0.02 0.00 0.01 0.00 0.00 42.46 41.16 2jec s ILE 54 CO 0.07 0.24 0.32 -0.94 0.00 0.00 0.00 174.94 174.63 2jec s SER 55 N -0.77 -0.17 -0.19 3.58 1.04 -0.76 -0.98 113.70 115.45 2jec s SER 55 Ca 0.06 -0.04 -0.24 0.00 0.48 0.00 0.00 55.95 56.21 2jec s SER 55 Cb -0.07 0.34 0.06 0.00 0.10 0.00 0.00 66.02 66.45 2jec s SER 55 CO 0.00 -0.54 0.64 -0.47 0.98 0.00 0.00 173.24 173.85 2jec s TYR 56 N -1.94 -0.67 0.05 5.02 6.14 -0.54 -1.99 117.35 123.42 2jec s TYR 56 Ca -0.09 1.51 -0.00 0.00 0.64 0.00 0.00 57.07 59.13 2jec s TYR 56 Cb -0.03 0.27 -0.03 0.00 0.42 0.00 0.00 41.96 42.59 2jec s TYR 56 CO 0.01 -0.41 -0.04 0.54 0.64 0.00 0.00 175.55 176.29 2jec s ASN 57 N -0.10 0.54 0.03 4.32 2.20 -1.26 -1.37 114.94 119.30 2jec s ASN 57 Ca -0.03 -0.83 0.28 0.00 -0.94 0.00 0.00 52.86 51.34 2jec s ASN 57 Cb -0.03 0.14 1.02 0.00 -2.00 0.00 0.00 41.25 40.38 2jec s ASN 57 CO 0.03 -0.47 1.80 -1.54 -2.94 0.00 0.00 177.10 173.98 2jec n SER 58 N 0.60 0.21 -0.08 3.54 3.41 -0.27 -0.40 113.62 120.64 2jec n SER 58 Ca -0.17 0.36 -0.12 0.00 -0.26 0.00 0.00 58.87 58.68 2jec n SER 58 Cb 0.59 -0.38 -0.08 0.00 -0.26 0.00 0.00 64.21 64.08 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 0.83 -0.41 -3.33 2.07 -1.90 -3.37 116.25 110.14 2jec h VAL 59 Ca 0.00 -1.78 -0.05 0.00 0.82 0.00 0.00 66.70 65.68 2jec h VAL 59 Cb 0.54 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 2jec h VAL 59 CO 0.00 0.28 0.02 0.00 0.02 0.00 0.00 177.57 177.89 2jec h ALA 60 N -0.54 1.28 -5.70 1.67 0.00 -1.97 -3.47 119.26 110.54 2jec h ALA 60 Ca -0.11 -0.22 -0.43 0.00 0.00 0.00 0.00 54.91 54.15 2jec h ALA 60 Cb 0.82 -0.17 0.04 0.00 0.00 0.00 0.00 17.79 18.48 2jec h ALA 60 CO -0.07 0.49 -0.68 1.63 0.00 0.00 0.00 179.25 180.62 2jec n LYS 61 N -4.26 -6.09 -3.94 0.00 5.02 0.46 -4.96 118.16 104.39 2jec n LYS 61 Ca 0.02 0.73 -0.30 0.00 -2.02 0.00 0.00 58.31 56.74 2jec n LYS 61 Cb 0.25 -5.66 -0.16 0.00 -0.02 0.00 0.00 35.03 29.44 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 -6.28 1.66 -0.10 1.97 3.52 -1.26 -1.43 118.95 117.04 2jec s ARG 62 Ca 0.54 -0.88 -0.24 0.00 -0.13 0.00 0.00 55.73 55.02 2jec s ARG 62 Cb -0.26 -2.46 -0.03 0.00 -1.56 0.00 0.00 34.95 30.64 2jec s ARG 62 CO 0.67 -0.54 0.76 -1.17 -0.81 0.00 0.00 175.30 174.21 2jec s LEU 63 N 1.44 4.26 0.08 -0.88 2.96 -0.24 -4.47 118.68 121.82 2jec s LEU 63 Ca -0.04 1.19 0.04 0.00 -0.22 0.00 0.00 54.13 55.11 2jec s LEU 63 Cb -0.18 -3.15 -0.03 0.00 0.50 0.00 0.00 46.19 43.33 2jec s LEU 63 CO -0.07 -0.23 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.17 2jec s SER 64 N 0.97 1.48 0.01 3.68 0.01 -0.84 -0.45 113.70 118.55 2jec s SER 64 Ca 0.38 -0.66 -0.05 0.00 1.31 0.00 0.00 55.95 56.93 2jec s SER 64 Cb -0.17 -0.02 -0.00 0.00 0.21 0.00 0.00 66.02 66.03 2jec s SER 64 CO 0.16 -0.15 0.09 0.00 0.41 0.00 0.00 173.24 173.75 2jec s ALA 65 N -1.63 -0.19 -0.01 1.44 0.00 0.24 -1.83 121.76 119.78 2jec s ALA 65 Ca -0.01 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 51.70 2jec s ALA 65 Cb -0.08 0.12 -0.00 0.00 0.00 0.00 0.00 23.12 23.16 2jec s ALA 65 CO 0.01 -0.19 -0.04 0.54 0.00 0.00 0.00 175.76 176.08 2jec s VAL 66 N -1.38 0.36 -0.04 0.00 0.11 -0.25 -1.32 120.40 117.89 2jec s VAL 66 Ca -0.15 -0.17 0.07 0.00 -2.93 0.00 0.00 61.98 58.79 2jec s VAL 66 Cb -0.08 -0.32 -0.01 0.00 -1.53 0.00 0.00 36.38 34.43 2jec s VAL 66 CO 0.01 0.11 -0.24 0.54 -3.33 0.00 0.00 175.10 172.19 2jec s VAL 67 N 0.02 1.91 0.16 2.04 0.11 0.12 -1.45 120.40 123.31 2jec s VAL 67 Ca 0.00 -1.01 -0.13 0.00 -2.93 0.00 0.00 61.98 57.92 2jec s VAL 67 Cb -0.03 -1.60 0.01 0.00 -1.53 0.00 0.00 36.38 33.23 2jec s VAL 67 CO -0.00 0.54 0.37 -0.94 -3.33 0.00 0.00 175.10 171.74 2jec s SER 68 N -0.35 -0.09 0.14 3.54 1.04 -0.55 -1.23 113.70 116.20 2jec s SER 68 Ca 0.03 -0.65 0.05 0.00 0.48 0.00 0.00 55.95 55.86 2jec s SER 68 Cb -0.11 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 2jec s SER 68 CO 0.01 -0.93 -0.11 -0.31 0.98 0.00 0.00 173.24 172.88 2jec s TYR 69 N -3.90 1.28 0.08 5.02 1.51 -1.26 -0.81 117.35 119.27 2jec s TYR 69 Ca 0.11 -0.70 -0.36 0.00 -1.01 0.00 0.00 57.07 55.11 2jec s TYR 69 Cb 0.02 -0.65 -0.16 0.00 -0.11 0.00 0.00 41.96 41.06 2jec s TYR 69 CO -0.03 0.10 1.44 0.43 -1.11 0.00 0.00 175.55 176.37 2jec n SER 70 N 0.02 2.11 -1.18 2.29 7.64 -1.26 -1.86 113.62 121.38 2jec n SER 70 Ca -0.12 1.10 -0.15 0.00 1.01 0.00 0.00 58.87 60.71 2jec n SER 70 Cb 0.60 -1.25 -0.07 0.00 -1.01 0.00 0.00 64.21 62.47 2jec n SER 70 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jec n GLY 71 N 2.89 1.57 3.55 0.23 0.00 -1.26 -4.99 105.19 107.17 2jec n GLY 71 Ca 0.19 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.83 3.78 0.22 1.61 0.01 -0.78 -5.12 113.70 110.59 2jec s SER 72 Ca 0.00 -1.14 -0.30 0.00 1.31 0.00 0.00 55.95 55.82 2jec s SER 72 Cb 0.00 -0.37 -0.09 0.00 0.21 0.00 0.00 66.02 65.77 2jec s SER 72 CO 0.00 -0.17 1.17 -0.55 0.41 0.00 0.00 173.24 174.10 2jec s SER 73 N -3.61 7.13 0.41 2.44 0.15 -1.26 -4.70 113.70 114.26 2jec s SER 73 Ca 0.32 2.27 -0.08 0.00 0.70 0.00 0.00 55.95 59.16 2jec s SER 73 Cb 0.01 -2.62 -0.05 0.00 -1.71 0.00 0.00 66.02 61.65 2jec s SER 73 CO 0.17 -0.31 0.73 -0.94 1.20 0.00 0.00 173.24 174.09 2jec s SER 74 N -0.23 6.42 -0.08 5.45 1.04 -1.26 -4.72 113.70 120.33 2jec s SER 74 Ca 0.50 0.98 0.05 0.00 0.48 0.00 0.00 55.95 57.95 2jec s SER 74 Cb -0.33 -2.26 -0.01 0.00 0.10 0.00 0.00 66.02 63.52 2jec s SER 74 CO 0.39 -0.42 -0.23 -0.89 0.98 0.00 0.00 173.24 173.07 2jec s THR 75 N -2.44 2.23 0.07 2.02 2.01 -0.36 -4.98 115.64 114.20 2jec s THR 75 Ca 0.48 -0.99 0.07 0.00 0.31 0.00 0.00 61.69 61.56 2jec s THR 75 Cb -0.10 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 2jec s THR 75 CO 0.35 0.56 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.82 2jec s THR 76 N -0.02 3.10 -0.04 -0.82 2.01 -1.26 -0.71 115.64 117.90 2jec s THR 76 Ca -0.07 -1.22 -0.05 0.00 0.31 0.00 0.00 61.69 60.66 2jec s THR 76 Cb -0.15 -2.38 0.01 0.00 0.01 0.00 0.00 72.50 69.99 2jec s THR 76 CO 0.05 0.23 0.13 0.54 -0.69 0.00 0.00 174.62 174.87 2jec s VAL 77 N -1.07 0.02 0.03 3.82 0.11 -0.43 -4.74 120.40 118.14 2jec s VAL 77 Ca 0.18 -0.19 -0.01 0.00 -2.93 0.00 0.00 61.98 59.02 2jec s VAL 77 Cb -0.11 -0.25 -0.02 0.00 -1.53 0.00 0.00 36.38 34.47 2jec s VAL 77 CO 0.09 -0.11 -0.01 -0.44 -3.33 0.00 0.00 175.10 171.30 2jec s SER 78 N -0.32 0.31 -0.10 3.54 0.01 -1.26 -0.59 113.70 115.29 2jec s SER 78 Ca -0.04 -0.65 -0.06 0.00 1.31 0.00 0.00 55.95 56.51 2jec s SER 78 Cb -0.03 0.15 0.04 0.00 0.21 0.00 0.00 66.02 66.39 2jec s SER 78 CO 0.00 -0.42 0.23 -0.47 0.41 0.00 0.00 173.24 173.00 2jec s TYR 79 N -2.36 -0.30 -0.31 2.43 5.04 0.40 -4.84 117.35 117.41 2jec s TYR 79 Ca -0.07 0.71 -0.21 0.00 -2.44 0.00 0.00 57.07 55.06 2jec s TYR 79 Cb -0.03 0.05 -0.01 0.00 0.35 0.00 0.00 41.96 42.32 2jec s TYR 79 CO -0.04 -0.19 0.65 -0.51 -1.34 0.00 0.00 175.55 174.12 2jec s ASP 80 N 0.90 6.51 -0.22 4.32 1.11 -1.26 -1.08 116.67 126.95 2jec s ASP 80 Ca -0.06 0.42 -0.22 0.00 0.18 0.00 0.00 52.55 52.87 2jec s ASP 80 Cb -0.08 -2.34 0.06 0.00 1.07 0.00 0.00 42.92 41.63 2jec s ASP 80 CO -0.06 -0.52 0.62 0.54 1.18 0.00 0.00 175.17 176.94 2jec s VAL 81 N 2.68 0.00 -0.61 -1.27 0.11 -0.51 -5.01 120.40 115.78 2jec s VAL 81 Ca 0.26 -0.01 -0.23 0.00 -2.93 0.00 0.00 61.98 59.07 2jec s VAL 81 Cb -0.15 -0.87 0.05 0.00 -1.53 0.00 0.00 36.38 33.89 2jec s VAL 81 CO 0.12 -0.01 0.96 -0.62 -3.33 0.00 0.00 175.10 172.23 2jec s ASP 82 N 0.18 6.25 0.23 3.54 -1.08 -1.26 -4.45 116.67 120.08 2jec s ASP 82 Ca -0.01 -0.68 0.18 0.00 -0.52 0.00 0.00 52.55 51.53 2jec s ASP 82 Cb -0.04 -2.43 0.90 0.00 -1.46 0.00 0.00 42.92 39.89 2jec s ASP 82 CO 0.02 -1.35 1.56 0.18 0.52 0.00 0.00 175.17 176.10 2jec n LEU 83 N 7.64 0.47 0.15 -1.34 4.77 -1.26 -1.29 117.00 126.13 2jec n LEU 83 Ca -0.01 0.67 0.13 0.00 -0.03 0.00 0.00 56.01 56.77 2jec n LEU 83 Cb 0.46 -0.68 0.45 0.00 -2.33 0.00 0.00 43.42 41.33 2jec n LEU 83 CO 0.64 -0.70 0.88 0.78 -1.33 0.00 0.00 177.39 177.66 2jec h ASN 84 N 0.00 0.00 1.10 -1.43 2.35 -1.93 0.20 115.58 115.88 2jec h ASN 84 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jec h ASN 84 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2jec h ASN 84 CO 0.00 0.00 0.00 0.78 -1.65 0.00 0.00 177.43 176.56 2jec h ASN 85 N 0.00 0.00 0.00 5.81 2.35 -1.62 -3.34 115.58 118.77 2jec h ASN 85 Ca 0.00 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.54 2jec h ASN 85 Cb 0.59 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.93 2jec h ASN 85 CO 0.00 0.00 -1.63 0.52 -1.65 0.00 0.00 177.43 174.67 2jec n VAL 86 N -2.69 0.92 -3.91 2.81 0.31 -1.03 -5.06 118.33 109.69 2jec n VAL 86 Ca 0.02 -0.13 -0.32 0.00 -0.01 0.00 0.00 64.34 63.90 2jec n VAL 86 Cb 0.32 -1.75 -0.04 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 -6.92 4.36 0.92 7.52 1.43 0.68 -4.94 118.68 121.72 2jec s LEU 87 Ca -0.20 0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 53.10 2jec s LEU 87 Cb 0.07 -2.79 0.14 0.00 0.03 0.00 0.00 46.19 43.65 2jec s LEU 87 CO 0.26 0.22 1.09 -2.16 0.23 0.00 0.00 176.35 175.99 2jec s PRO 88 N -2.21 1.10 0.34 1.29 0.04 -1.26 -4.67 135.00 129.63 2jec s PRO 88 Ca 0.31 0.73 0.10 0.00 0.04 0.00 0.00 61.00 62.17 2jec s PRO 88 Cb -0.13 -1.80 0.60 0.00 0.04 0.00 0.00 34.50 33.21 2jec s PRO 88 CO 0.23 -2.33 1.77 0.93 0.04 0.00 0.00 177.00 177.64 2jec h GLU 89 N -1.61 0.12 -5.58 4.56 5.08 -1.95 -3.41 114.58 111.79 2jec h GLU 89 Ca -0.51 -0.05 -0.66 0.00 -1.00 0.00 0.00 59.36 57.14 2jec h GLU 89 Cb 1.29 -0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.29 2jec h GLU 89 CO 0.56 0.49 -0.74 -1.58 -1.00 0.00 0.00 179.01 176.73 2jec s TRP 90 N -4.19 2.84 0.16 4.33 0.52 -1.26 -1.00 118.94 120.34 2jec s TRP 90 Ca -0.04 -0.44 0.01 0.00 0.02 0.00 0.00 56.10 55.66 2jec s TRP 90 Cb 0.14 -1.81 -0.04 0.00 -1.15 0.00 0.00 33.47 30.61 2jec s TRP 90 CO 0.75 -0.06 0.02 0.14 0.02 0.00 0.00 176.95 177.82 2jec s VAL 91 N 0.04 0.48 0.06 4.03 -7.23 -0.47 -4.25 120.40 113.06 2jec s VAL 91 Ca -0.04 -1.95 0.04 0.00 -1.81 0.00 0.00 61.98 58.22 2jec s VAL 91 Cb -0.14 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 2jec s VAL 91 CO 0.04 -0.46 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.22 2jec s ARG 92 N -3.96 2.57 0.08 4.82 0.52 -0.50 -0.22 118.95 122.25 2jec s ARG 92 Ca 0.24 -0.79 0.03 0.00 -0.52 0.00 0.00 55.73 54.70 2jec s ARG 92 Cb 0.07 -2.55 -0.04 0.00 0.52 0.00 0.00 34.95 32.95 2jec s ARG 92 CO 0.03 0.56 0.05 0.14 0.02 0.00 0.00 175.30 176.11 2jec s VAL 93 N -1.22 4.36 0.29 3.52 -7.23 -1.26 -1.38 120.40 117.49 2jec s VAL 93 Ca 0.23 -0.81 -0.20 0.00 -1.81 0.00 0.00 61.98 59.39 2jec s VAL 93 Cb -0.12 -3.09 0.05 0.00 0.56 0.00 0.00 36.38 33.78 2jec s VAL 93 CO 0.15 0.14 0.81 -0.83 -0.31 0.00 0.00 175.10 175.07 2jec s GLY 94 N -2.30 0.09 0.02 2.32 0.00 -0.03 -1.51 107.32 105.90 2jec s GLY 94 Ca 0.28 -0.43 0.07 0.00 0.00 0.00 0.00 44.72 44.64 2jec s GLY 94 CO 0.20 0.11 -0.21 1.08 0.00 0.00 0.00 173.10 174.28 2jec s LEU 95 N -3.04 2.11 0.12 0.66 1.43 -0.15 -1.04 118.68 118.78 2jec s LEU 95 Ca 0.14 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 2jec s LEU 95 Cb -0.05 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.12 2jec s LEU 95 CO 0.08 0.20 -0.09 -0.94 0.23 0.00 0.00 176.35 175.83 2jec s SER 96 N -0.89 1.51 0.14 2.29 1.04 -0.22 -1.12 113.70 116.45 2jec s SER 96 Ca 0.08 -0.98 -0.21 0.00 0.48 0.00 0.00 55.95 55.32 2jec s SER 96 Cb -0.08 0.03 0.06 0.00 0.10 0.00 0.00 66.02 66.12 2jec s SER 96 CO 0.01 -0.37 0.54 0.00 0.98 0.00 0.00 173.24 174.40 2jec s ALA 97 N -3.29 -1.39 0.12 5.32 0.00 -0.34 -0.47 121.76 121.71 2jec s ALA 97 Ca 0.13 0.36 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 2jec s ALA 97 Cb 0.03 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 2jec s ALA 97 CO -0.01 -0.70 0.07 0.95 0.00 0.00 0.00 175.76 176.06 2jec s THR 98 N -3.61 0.12 0.27 0.00 -4.23 -1.11 -2.02 115.64 105.05 2jec s THR 98 Ca 0.01 -1.80 0.04 0.00 -1.18 0.00 0.00 61.69 58.75 2jec s THR 98 Cb -0.00 -1.88 -0.06 0.00 1.34 0.00 0.00 72.50 71.90 2jec s THR 98 CO -0.11 -0.57 0.01 0.42 -0.54 0.00 0.00 174.62 173.83 2jec s THR 99 N -4.01 1.18 0.00 3.99 -4.23 -0.31 -1.32 115.64 110.94 2jec s THR 99 Ca 0.19 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 2jec s THR 99 Cb 0.07 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.41 2jec s THR 99 CO -0.01 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 2jec n GLY 100 N -0.53 4.35 0.24 3.99 0.00 -1.26 -2.86 105.19 109.11 2jec n GLY 100 Ca -0.04 -0.56 -0.07 0.00 0.00 0.00 0.00 46.02 45.35 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 0.68-10.28 0.99 5.85 -1.97 0.11 115.31 110.69 2jec h LEU 101 Ca 0.00 -0.06 -0.45 0.00 0.84 0.00 0.00 57.88 58.21 2jec h LEU 101 Cb 0.00 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 2jec h LEU 101 CO 0.00 0.54 -0.35 -0.31 -0.34 0.00 0.00 178.44 177.98 2jec s TYR 102 N -5.98 2.95 0.19 1.25 2.02 -1.26 -4.90 117.35 111.62 2jec s TYR 102 Ca -0.13 -0.31 -0.07 0.00 -0.37 0.00 0.00 57.07 56.19 2jec s TYR 102 Cb 0.13 -2.07 -0.02 0.00 -0.40 0.00 0.00 41.96 39.60 2jec s TYR 102 CO 0.76 -0.08 0.27 -1.59 -1.57 0.00 0.00 175.55 173.33 2jec s LYS 103 N -4.18 1.26 0.04 -0.62 -2.85 -1.23 -4.39 119.74 107.78 2jec s LYS 103 Ca 0.47 -1.36 -0.27 0.00 -1.00 0.00 0.00 55.97 53.81 2jec s LYS 103 Cb -0.08 0.36 0.09 0.00 -2.06 0.00 0.00 37.83 36.14 2jec s LYS 103 CO 0.30 -0.46 0.82 -1.83 0.10 0.00 0.00 175.35 174.28 2jec s GLU 104 N -4.05 0.95 0.27 1.78 -1.05 -1.04 -3.22 118.70 112.35 2jec s GLU 104 Ca 0.26 -0.36 -0.29 0.00 -0.15 0.00 0.00 54.97 54.43 2jec s GLU 104 Cb 0.04 0.43 -0.09 0.00 -0.44 0.00 0.00 34.13 34.07 2jec s GLU 104 CO 0.06 -0.42 1.00 0.95 0.95 0.00 0.00 175.26 177.80 2jec s THR 105 N -3.29 3.86 -0.64 1.83 -4.23 0.66 -4.71 115.64 109.12 2jec s THR 105 Ca 0.04 1.83 0.06 0.00 -1.18 0.00 0.00 61.69 62.44 2jec s THR 105 Cb -0.01 -4.15 0.26 0.00 1.34 0.00 0.00 72.50 69.94 2jec s THR 105 CO -0.10 0.41 0.79 0.59 -0.54 0.00 0.00 174.62 175.77 2jec n ASN 106 N 1.26 3.92 -4.74 3.99 4.13 -1.26 -3.87 115.26 118.68 2jec n ASN 106 Ca -0.01 -3.49 -0.37 0.00 1.68 0.00 0.00 54.58 52.39 2jec n ASN 106 Cb 0.47 -0.66 -0.06 0.00 -1.54 0.00 0.00 39.78 37.98 2jec n ASN 106 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2jec s THR 107 N -2.79 5.20 -0.22 3.41 2.01 -1.09 -1.61 115.64 120.55 2jec s THR 107 Ca 0.41 0.80 -0.04 0.00 0.31 0.00 0.00 61.69 63.17 2jec s THR 107 Cb 0.17 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.93 2jec s THR 107 CO -0.03 0.39 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.64 2jec s ILE 108 N 0.26 3.52 -0.12 1.82 -1.09 0.24 -0.81 121.20 125.01 2jec s ILE 108 Ca 0.23 -0.44 0.18 0.00 -2.23 0.00 0.00 60.65 58.38 2jec s ILE 108 Cb -0.15 -2.60 -0.20 0.00 -1.58 0.00 0.00 42.46 37.93 2jec s ILE 108 CO 0.09 0.42 0.56 0.18 -1.23 0.00 0.00 174.94 174.95 2jec n LEU 109 N 4.74 0.48 -3.44 2.97 4.32 -0.70 -1.09 117.00 124.27 2jec n LEU 109 Ca -0.18 0.21 -0.13 0.00 -0.02 0.00 0.00 56.01 55.90 2jec n LEU 109 Cb 0.51 0.17 -0.03 0.00 -1.62 0.00 0.00 43.42 42.46 2jec n LEU 109 CO 0.29 0.21 0.43 -0.94 -1.22 0.00 0.00 177.39 176.17 2jec s SER 110 N -5.48 -0.57 -0.26 -1.43 1.04 -1.24 -4.25 113.70 101.51 2jec s SER 110 Ca -0.06 0.12 -0.13 0.00 0.48 0.00 0.00 55.95 56.37 2jec s SER 110 Cb 0.09 0.57 0.09 0.00 0.10 0.00 0.00 66.02 66.87 2jec s SER 110 CO 0.83 -0.88 0.62 0.86 0.98 0.00 0.00 173.24 175.66 2jec s TRP 111 N -3.25 -1.05 0.18 5.02 -0.00 -0.03 -1.78 118.94 118.03 2jec s TRP 111 Ca -0.01 2.02 0.07 0.00 -0.00 0.00 0.00 56.10 58.18 2jec s TRP 111 Cb -0.01 0.60 -0.05 0.00 -0.00 0.00 0.00 33.47 34.02 2jec s TRP 111 CO -0.09 -0.54 -0.13 -1.54 -0.00 0.00 0.00 176.95 174.66 2jec s SER 112 N 2.00 2.28 -0.15 5.86 1.04 0.49 -0.64 113.70 124.58 2jec s SER 112 Ca -0.08 -1.00 -0.20 0.00 0.48 0.00 0.00 55.95 55.15 2jec s SER 112 Cb -0.08 -0.09 0.05 0.00 0.10 0.00 0.00 66.02 66.00 2jec s SER 112 CO -0.18 -0.22 0.52 0.12 0.98 0.00 0.00 173.24 174.45 2jec s PHE 113 N -3.02 -0.53 -0.02 5.02 5.36 -0.17 -1.69 117.98 122.93 2jec s PHE 113 Ca 0.20 1.20 0.01 0.00 -0.96 0.00 0.00 56.93 57.38 2jec s PHE 113 Cb -0.00 0.21 0.01 0.00 -0.34 0.00 0.00 43.02 42.90 2jec s PHE 113 CO 0.04 -0.34 -0.04 0.99 -1.46 0.00 0.00 175.22 174.42 2jec s THR 114 N -0.16 0.37 0.04 0.12 2.01 0.14 -1.17 115.64 116.99 2jec s THR 114 Ca -0.04 -0.13 0.03 0.00 0.31 0.00 0.00 61.69 61.87 2jec s THR 114 Cb -0.03 -0.36 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 2jec s THR 114 CO 0.03 0.14 -0.10 -0.94 -0.69 0.00 0.00 174.62 173.05 2jec s SER 115 N 0.31 1.13 0.01 3.53 1.04 0.13 -1.21 113.70 118.64 2jec s SER 115 Ca -0.03 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.94 2jec s SER 115 Cb -0.07 -0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.02 2jec s SER 115 CO -0.00 -0.08 -0.02 -0.54 0.98 0.00 0.00 173.24 173.58 2jec s LYS 116 N -1.24 0.14 -0.06 4.02 1.02 -0.44 -1.23 119.74 121.96 2jec s LYS 116 Ca -0.04 -0.22 -0.01 0.00 0.02 0.00 0.00 55.97 55.73 2jec s LYS 116 Cb -0.08 -0.02 0.03 0.00 -0.52 0.00 0.00 37.83 37.24 2jec s LYS 116 CO 0.01 -0.00 -0.00 -1.17 -0.92 0.00 0.00 175.35 173.26 2jec s LEU 117 N -0.48 0.73 -0.14 3.17 2.96 -0.29 -1.21 118.68 123.42 2jec s LEU 117 Ca -0.05 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.77 2jec s LEU 117 Cb -0.03 -0.40 -0.02 0.00 0.50 0.00 0.00 46.19 46.23 2jec s LEU 117 CO -0.00 -0.17 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.22 2jec s LYS 118 N 1.73 3.45 0.00 1.98 1.02 0.35 -1.28 119.74 126.99 2jec s LYS 118 Ca 0.01 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.36 2jec s LYS 118 Cb -0.13 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 2jec s LYS 118 CO -0.04 0.19 0.00 0.25 -0.92 0.00 0.00 175.35 174.83 2jec n THR 119 N 3.61 0.00 -0.03 2.17 -2.24 -1.26 0.22 114.28 116.75 2jec n THR 119 Ca -0.18 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.56 2jec n THR 119 Cb 0.52 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 2jec n THR 119 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2jec n ASN 120 N 0.00 3.56 -3.81 3.42 2.04 -1.26 -4.56 115.26 114.65 2jec n ASN 120 Ca 0.00 -0.03 -0.24 0.00 -0.44 0.00 0.00 54.58 53.87 2jec n ASN 120 Cb 0.00 0.05 0.16 0.00 -2.53 0.00 0.00 39.78 37.46 2jec n ASN 120 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 2jec n SER 121 N -2.58 -2.87 0.00 0.53 3.41 -1.26 -5.04 113.62 105.81 2jec n SER 121 Ca -0.11 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.18 2jec n SER 121 Cb 0.63 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 2jec n SER 121 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2jec n ILE 122 N -4.46 0.00 -1.43 -1.33 5.41 -1.26 -4.87 119.36 111.41 2jec n ILE 122 Ca 0.04 0.00 -0.49 0.00 1.00 0.00 0.00 62.75 63.30 2jec n ILE 122 Cb 0.47 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.36 2jec n ILE 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jec n ALA 123 N -3.00 -2.79 0.00 -1.39 0.00 -1.26 -4.02 120.51 108.05 2jec n ALA 123 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2jec n ALA 123 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 19.45 17.78 2jec n ALA 123 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jec n ASP 124 N 1.88 0.00 -0.32 0.00 8.00 -1.26 -4.71 116.55 120.13 2jec n ASP 124 Ca 0.18 0.00 0.29 0.00 0.71 0.00 0.00 54.79 55.96 2jec n ASP 124 Cb 0.23 0.00 0.53 0.00 -0.02 0.00 0.00 41.12 41.86 2jec n ASP 124 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jec h ALA 125 N 1.27 1.98 -1.83 2.24 0.00 -1.32 -3.43 119.26 118.16 2jec h ALA 125 Ca 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2jec h ALA 125 Cb 0.00 0.38 -0.21 0.00 0.00 0.00 0.00 17.79 17.96 2jec h ALA 125 CO 0.00 -0.88 0.32 1.21 0.00 0.00 0.00 179.25 179.89 2jec s ASN 126 N -4.61 -0.56 0.04 0.00 3.84 -0.99 -5.03 114.94 107.63 2jec s ASN 126 Ca -0.10 0.67 -0.07 0.00 0.21 0.00 0.00 52.86 53.57 2jec s ASN 126 Cb 0.33 0.54 -0.00 0.00 -0.55 0.00 0.00 41.25 41.56 2jec s ASN 126 CO 0.78 -0.47 0.14 -0.94 -2.79 0.00 0.00 177.10 173.82 2jec s SER 127 N -0.99 0.12 -0.06 -4.21 1.04 -1.26 -1.14 113.70 107.20 2jec s SER 127 Ca -0.06 -0.48 -0.04 0.00 0.48 0.00 0.00 55.95 55.85 2jec s SER 127 Cb -0.01 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.40 2jec s SER 127 CO 0.06 -0.54 0.14 -0.22 0.98 0.00 0.00 173.24 173.65 2jec s LEU 128 N -2.17 1.06 -0.05 2.42 2.96 -0.36 -5.00 118.68 117.55 2jec s LEU 128 Ca -0.04 0.29 -0.03 0.00 -0.22 0.00 0.00 54.13 54.12 2jec s LEU 128 Cb -0.01 0.41 0.02 0.00 0.50 0.00 0.00 46.19 47.11 2jec s LEU 128 CO -0.05 -0.10 0.11 -2.28 -1.32 0.00 0.00 176.35 172.71 2jec s HIS 129 N 0.69 -0.12 0.06 5.38 5.65 -1.26 -0.69 115.29 124.99 2jec s HIS 129 Ca -0.05 0.33 0.02 0.00 0.25 0.00 0.00 55.06 55.61 2jec s HIS 129 Cb -0.07 -0.01 -0.03 0.00 -1.18 0.00 0.00 32.58 31.29 2jec s HIS 129 CO -0.03 -0.09 -0.07 -0.59 -0.65 0.00 0.00 174.74 173.31 2jec s PHE 130 N 0.42 0.69 -0.05 3.88 -0.12 -0.31 -5.00 117.98 117.48 2jec s PHE 130 Ca -0.03 -0.64 -0.02 0.00 -0.05 0.00 0.00 56.93 56.19 2jec s PHE 130 Cb -0.04 -0.41 0.04 0.00 -0.63 0.00 0.00 43.02 41.97 2jec s PHE 130 CO -0.02 -0.13 0.09 0.45 -0.05 0.00 0.00 175.22 175.57 2jec s SER 131 N -2.04 0.57 -0.29 1.98 0.15 -1.26 -1.00 113.70 111.81 2jec s SER 131 Ca -0.04 0.17 0.01 0.00 0.70 0.00 0.00 55.95 56.79 2jec s SER 131 Cb -0.05 0.04 0.06 0.00 -1.71 0.00 0.00 66.02 64.36 2jec s SER 131 CO -0.02 -0.20 -0.03 -0.36 1.20 0.00 0.00 173.24 173.83 2jec s PHE 132 N 1.77 3.33 -0.88 3.44 0.08 0.18 -4.95 117.98 120.96 2jec s PHE 132 Ca -0.01 -2.20 0.18 0.00 0.12 0.00 0.00 56.93 55.02 2jec s PHE 132 Cb -0.12 -2.18 -0.20 0.00 -0.57 0.00 0.00 43.02 39.96 2jec s PHE 132 CO -0.04 -0.86 0.78 0.09 -0.10 0.00 0.00 175.22 175.09 2jec n ASN 133 N 4.51 0.88 -3.81 1.36 3.02 -1.26 -0.85 115.26 119.10 2jec n ASN 133 Ca -0.11 -0.94 -0.09 0.00 -0.03 0.00 0.00 54.58 53.40 2jec n ASN 133 Cb 0.43 0.99 -0.06 0.00 -0.61 0.00 0.00 39.78 40.52 2jec n ASN 133 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jec s GLN 134 N -2.72 1.01 -0.13 3.52 -2.07 -1.26 -4.69 119.66 113.33 2jec s GLN 134 Ca 0.07 -0.94 -0.00 0.00 -1.82 0.00 0.00 55.36 52.67 2jec s GLN 134 Cb 0.14 0.40 -0.02 0.00 -1.09 0.00 0.00 33.01 32.44 2jec s GLN 134 CO 0.75 -0.36 -0.11 -0.06 -1.32 0.00 0.00 175.29 174.18 2jec s PHE 135 N -3.87 2.85 0.75 9.60 0.40 0.05 -5.05 117.98 122.70 2jec s PHE 135 Ca 0.07 -0.51 -0.14 0.00 -0.60 0.00 0.00 56.93 55.76 2jec s PHE 135 Cb 0.03 -1.84 0.05 0.00 0.51 0.00 0.00 43.02 41.77 2jec s PHE 135 CO -0.08 -0.12 1.16 0.45 0.70 0.00 0.00 175.22 177.32 2jec s SER 136 N 0.22 4.23 0.42 1.36 0.15 -1.26 -4.44 113.70 114.37 2jec s SER 136 Ca -0.07 2.18 0.15 0.00 0.70 0.00 0.00 55.95 58.91 2jec s SER 136 Cb -0.15 -2.57 0.91 0.00 -1.71 0.00 0.00 66.02 62.50 2jec s SER 136 CO 0.05 -2.23 1.91 1.56 1.20 0.00 0.00 173.24 175.73 2jec h GLN 137 N -0.59 0.00 -3.01 5.44 1.08 -1.92 -3.31 115.11 112.80 2jec h GLN 137 Ca -0.46 0.00 -0.62 0.00 -1.45 0.00 0.00 58.65 56.12 2jec h GLN 137 Cb 1.27 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 28.29 2jec h GLN 137 CO 0.49 0.27 -0.68 1.21 -0.95 0.00 0.00 178.83 179.18 2jec s ASN 138 N -6.86 3.98 -1.10 1.46 3.04 -1.26 -4.83 114.94 109.36 2jec s ASN 138 Ca -0.03 -3.32 -0.21 0.00 0.04 0.00 0.00 52.86 49.34 2jec s ASN 138 Cb 0.15 -1.33 0.07 0.00 -1.54 0.00 0.00 41.25 38.60 2jec s ASN 138 CO 0.70 -0.16 1.50 -2.16 -3.04 0.00 0.00 177.10 173.93 2jec s PRO 139 N -0.64 3.74 0.37 0.43 0.04 -1.25 -4.80 135.00 132.90 2jec s PRO 139 Ca 0.23 -1.53 0.27 0.00 0.04 0.00 0.00 61.00 60.01 2jec s PRO 139 Cb -0.11 -5.35 1.24 0.00 0.04 0.00 0.00 34.50 30.32 2jec s PRO 139 CO -0.10 -2.15 1.82 0.87 0.04 0.00 0.00 177.00 177.48 2jec h LYS 140 N 8.89 0.00 -0.46 4.56 1.57 -1.96 -1.81 116.57 127.35 2jec h LYS 140 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2jec h LYS 140 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 2jec h LYS 140 CO 1.39 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.87 2jec n ASP 141 N -2.51 2.60 -4.40 0.86 5.68 -1.26 -4.88 116.55 112.65 2jec n ASP 141 Ca 0.01 -1.98 -0.31 0.00 -0.50 0.00 0.00 54.79 52.02 2jec n ASP 141 Cb 0.19 -0.31 -0.14 0.00 -1.14 0.00 0.00 41.12 39.73 2jec n ASP 141 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2jec s LEU 142 N -1.07 2.37 -0.39 -2.12 1.43 -0.68 -0.96 118.68 117.25 2jec s LEU 142 Ca 0.33 -0.50 -0.13 0.00 -1.03 0.00 0.00 54.13 52.80 2jec s LEU 142 Cb 0.17 -1.40 0.02 0.00 0.03 0.00 0.00 46.19 45.02 2jec s LEU 142 CO 0.23 0.26 0.26 -0.63 0.23 0.00 0.00 176.35 176.70 2jec s ILE 143 N -0.85 4.95 -0.14 -0.59 1.01 0.12 -4.84 121.20 120.86 2jec s ILE 143 Ca 0.13 -0.75 -0.18 0.00 0.00 0.00 0.00 60.65 59.85 2jec s ILE 143 Cb -0.10 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 2jec s ILE 143 CO 0.03 -0.27 0.49 -0.76 0.00 0.00 0.00 174.94 174.43 2jec s LEU 144 N 1.62 4.24 0.03 2.97 1.43 -1.26 -0.79 118.68 126.92 2jec s LEU 144 Ca 0.04 0.78 0.08 0.00 -1.03 0.00 0.00 54.13 54.00 2jec s LEU 144 Cb -0.19 -2.71 -0.03 0.00 0.03 0.00 0.00 46.19 43.30 2jec s LEU 144 CO 0.08 -0.05 -0.24 -1.10 0.23 0.00 0.00 176.35 175.27 2jec s GLN 145 N 0.91 1.73 7.43 1.70 -0.21 0.11 -4.97 119.66 126.36 2jec s GLN 145 Ca 0.26 -1.00 0.00 0.00 0.02 0.00 0.00 55.36 54.64 2jec s GLN 145 Cb -0.15 -1.83 0.00 0.00 1.00 0.00 0.00 33.01 32.03 2jec s GLN 145 CO 0.10 0.48 0.00 0.41 -2.12 0.00 0.00 175.29 174.16 2jec n GLY 146 N 1.98 2.58 0.42 3.09 0.00 -1.26 -1.17 105.19 110.82 2jec n GLY 146 Ca -0.17 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 7.11 1.40 -4.75 1.61 8.00 0.71 -4.95 116.55 125.67 2jec n ASP 147 Ca 0.00 -1.30 -0.41 0.00 0.71 0.00 0.00 54.79 53.78 2jec n ASP 147 Cb 0.00 0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.14 2jec n ASP 147 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jec s ALA 148 N -2.19 3.66 0.13 2.24 0.00 -1.15 -4.54 121.76 119.92 2jec s ALA 148 Ca 0.32 1.42 -0.16 0.00 0.00 0.00 0.00 51.96 53.54 2jec s ALA 148 Cb 0.20 -3.59 0.03 0.00 0.00 0.00 0.00 23.12 19.77 2jec s ALA 148 CO 0.40 -0.83 0.41 -0.59 0.00 0.00 0.00 175.76 175.15 2jec s PHE 149 N -0.13 -0.17 -0.06 0.00 -0.71 -0.50 -4.74 117.98 111.67 2jec s PHE 149 Ca 0.60 -0.15 -0.02 0.00 -1.04 0.00 0.00 56.93 56.31 2jec s PHE 149 Cb -0.44 0.26 -0.04 0.00 -1.21 0.00 0.00 43.02 41.60 2jec s PHE 149 CO 0.46 -0.73 0.05 0.95 -1.34 0.00 0.00 175.22 174.62 2jec s THR 150 N -3.82 4.65 0.25 -4.49 -4.23 -1.26 -0.85 115.64 105.89 2jec s THR 150 Ca 0.04 -0.22 0.03 0.00 -1.18 0.00 0.00 61.69 60.36 2jec s THR 150 Cb 0.02 -3.03 0.03 0.00 1.34 0.00 0.00 72.50 70.86 2jec s THR 150 CO -0.10 0.52 0.28 -0.90 -0.54 0.00 0.00 174.62 173.88 2jec n ASP 151 N 1.80 1.27 0.26 3.99 5.68 -0.32 -4.94 116.55 124.28 2jec n ASP 151 Ca -0.17 -1.73 0.15 0.00 -0.50 0.00 0.00 54.79 52.53 2jec n ASP 151 Cb 0.54 -0.11 0.62 0.00 -1.14 0.00 0.00 41.12 41.02 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 0.14 0.00 0.21 -1.12 4.64 -1.98 -2.52 113.55 112.92 2jec h SER 152 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2jec h SER 152 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2jec h SER 152 CO 0.20 0.08 -0.06 0.47 -0.87 0.00 0.00 176.83 176.65 2jec n ASP 153 N -3.23 0.51 -0.02 4.97 8.00 -1.26 -4.91 116.55 120.61 2jec n ASP 153 Ca 0.00 -0.83 -0.00 0.00 0.71 0.00 0.00 54.79 54.67 2jec n ASP 153 Cb 0.34 -0.05 -0.00 0.00 -0.02 0.00 0.00 41.12 41.39 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 1.19 0.41 3.91 0.44 0.00 -0.95 -4.95 105.19 105.24 2jec n GLY 154 Ca 0.18 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.97 6.42 -0.31 1.61 0.01 -1.26 -0.77 114.94 117.68 2jec s ASN 155 Ca 0.00 0.48 -0.17 0.00 -0.71 0.00 0.00 52.86 52.46 2jec s ASN 155 Cb 0.00 -2.05 -0.02 0.00 0.41 0.00 0.00 41.25 39.60 2jec s ASN 155 CO 0.00 -0.01 0.48 -0.22 -1.51 0.00 0.00 177.10 175.84 2jec s LEU 156 N -3.07 4.20 -0.41 0.60 2.96 -0.25 -1.18 118.68 121.53 2jec s LEU 156 Ca 0.40 0.19 -0.16 0.00 -0.22 0.00 0.00 54.13 54.33 2jec s LEU 156 Cb -0.11 -2.57 0.02 0.00 0.50 0.00 0.00 46.19 44.03 2jec s LEU 156 CO 0.28 -0.36 0.37 -1.10 -1.32 0.00 0.00 176.35 174.22 2jec s GLN 157 N 2.29 3.07 0.19 1.98 -1.52 -0.03 0.80 119.66 126.44 2jec s GLN 157 Ca 0.18 -0.85 -0.03 0.00 -1.95 0.00 0.00 55.36 52.71 2jec s GLN 157 Cb -0.16 -3.96 0.10 0.00 -0.22 0.00 0.00 33.01 28.77 2jec s GLN 157 CO 0.11 -0.79 1.49 -0.07 -0.25 0.00 0.00 175.29 175.79 2jec h LEU 158 N 8.86 0.61 -9.28 2.90 3.38 -1.57 -1.32 115.31 118.89 2jec h LEU 158 Ca -0.27 -0.33 -0.57 0.00 0.09 0.00 0.00 57.88 56.80 2jec h LEU 158 Cb 1.12 -0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.55 2jec h LEU 158 CO 0.76 1.05 -0.69 0.42 0.09 0.00 0.00 178.44 180.07 2jec s THR 159 N -3.94 2.07 0.31 0.22 -4.23 -1.26 -2.92 115.64 105.89 2jec s THR 159 Ca -0.07 -2.21 -0.29 0.00 -1.18 0.00 0.00 61.69 57.93 2jec s THR 159 Cb 0.11 -2.50 -0.12 0.00 1.34 0.00 0.00 72.50 71.33 2jec s THR 159 CO 0.84 -0.28 1.44 0.29 -0.54 0.00 0.00 174.62 176.37 2jec n LYS 160 N -0.68 2.38 -4.27 3.99 5.02 -1.26 -4.73 118.16 118.60 2jec n LYS 160 Ca -0.05 0.84 -0.19 0.00 -2.02 0.00 0.00 58.31 56.89 2jec n LYS 160 Cb 0.63 -2.52 -0.13 0.00 -0.02 0.00 0.00 35.03 32.99 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 -0.58 1.02 1.07 -0.18 -7.23 -1.26 -1.42 120.40 111.81 2jec s VAL 161 Ca 0.60 -1.04 -0.16 0.00 -1.81 0.00 0.00 61.98 59.57 2jec s VAL 161 Cb -0.55 -0.95 0.22 0.00 0.56 0.00 0.00 36.38 35.66 2jec s VAL 161 CO 0.56 -0.08 1.14 -0.94 -0.31 0.00 0.00 175.10 175.47 2jec s SER 162 N -1.27 2.12 0.60 4.85 1.04 0.66 -4.86 113.70 116.83 2jec s SER 162 Ca -0.00 0.76 0.29 0.00 0.48 0.00 0.00 55.95 57.48 2jec s SER 162 Cb -0.08 -1.14 1.57 0.00 0.10 0.00 0.00 66.02 66.47 2jec s SER 162 CO 0.01 -3.40 1.98 0.77 0.98 0.00 0.00 173.24 173.59 2jec h SER 163 N -2.08 0.00 0.56 7.02 4.64 -2.02 -1.12 113.55 120.55 2jec h SER 163 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2jec h SER 163 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2jec h SER 163 CO 0.46 0.00 -0.33 -1.54 -0.87 0.00 0.00 176.83 174.54 2jec n SER 164 N -3.66 0.45 0.00 4.97 3.41 -1.26 -4.92 113.62 112.61 2jec n SER 164 Ca 0.04 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2jec n SER 164 Cb 0.50 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 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 1.46 0.73 3.65 5.00 0.00 -0.42 -5.06 105.19 110.55 2jec n GLY 165 Ca 0.07 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 -2.61 6.84 0.69 1.61 2.15 -1.26 -4.68 116.67 119.41 2jec s ASP 166 Ca 0.00 1.71 -0.16 0.00 0.43 0.00 0.00 52.55 54.52 2jec s ASP 166 Cb 0.00 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 40.10 2jec s ASP 166 CO 0.00 -0.85 1.23 -2.16 -0.17 0.00 0.00 175.17 173.23 2jec s PRO 167 N 3.72 2.35 0.06 4.34 0.04 -1.26 -0.25 135.00 143.99 2jec s PRO 167 Ca 0.58 1.86 0.06 0.00 0.04 0.00 0.00 61.00 63.54 2jec s PRO 167 Cb -0.23 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 2jec s PRO 167 CO 0.18 -1.70 -0.10 -0.65 0.04 0.00 0.00 177.00 174.78 2jec s GLN 168 N -3.68 2.29 0.90 4.56 -1.52 -0.51 -4.82 119.66 116.88 2jec s GLN 168 Ca 0.77 -0.90 -0.12 0.00 -1.95 0.00 0.00 55.36 53.16 2jec s GLN 168 Cb -0.32 -2.37 0.13 0.00 -0.22 0.00 0.00 33.01 30.23 2jec s GLN 168 CO 0.42 0.55 1.11 0.20 -0.25 0.00 0.00 175.29 177.32 2jec s GLY 169 N -1.82 1.59 -1.52 3.09 0.00 -1.26 -4.35 107.32 103.05 2jec s GLY 169 Ca 0.19 -0.33 -0.09 0.00 0.00 0.00 0.00 44.72 44.49 2jec s GLY 169 CO 0.10 0.20 0.70 0.70 0.00 0.00 0.00 173.10 174.80 2jec n ASN 170 N -3.79 -2.39 -4.57 1.64 4.13 0.37 -4.84 115.26 105.82 2jec n ASN 170 Ca 0.06 -0.93 -0.30 0.00 1.68 0.00 0.00 54.58 55.09 2jec n ASN 170 Cb 0.57 -3.27 -0.10 0.00 -1.54 0.00 0.00 39.78 35.45 2jec n ASN 170 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2jec s SER 171 N -3.79 4.33 -0.00 6.41 0.15 -1.14 -4.94 113.70 114.73 2jec s SER 171 Ca 0.39 -0.41 0.01 0.00 0.70 0.00 0.00 55.95 56.63 2jec s SER 171 Cb -0.20 -0.80 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 2jec s SER 171 CO 0.88 0.18 -0.02 0.54 1.20 0.00 0.00 173.24 176.02 2jec s VAL 172 N -1.21 0.14 -0.02 4.45 0.11 -1.26 -1.16 120.40 121.45 2jec s VAL 172 Ca 0.21 -0.06 -0.26 0.00 -2.93 0.00 0.00 61.98 58.94 2jec s VAL 172 Cb -0.11 -0.14 0.06 0.00 -1.53 0.00 0.00 36.38 34.66 2jec s VAL 172 CO 0.13 0.05 0.57 -0.83 -3.33 0.00 0.00 175.10 171.69 2jec s GLY 173 N 0.05 -0.46 0.04 6.54 0.00 -0.86 -0.21 107.32 112.41 2jec s GLY 173 Ca -0.00 0.95 -0.06 0.00 0.00 0.00 0.00 44.72 45.61 2jec s GLY 173 CO -0.00 0.63 0.11 0.50 0.00 0.00 0.00 173.10 174.33 2jec s ARG 174 N -1.56 0.61 -0.07 2.90 0.52 -0.32 -1.20 118.95 119.83 2jec s ARG 174 Ca -0.10 -0.76 -0.00 0.00 -0.52 0.00 0.00 55.73 54.35 2jec s ARG 174 Cb -0.01 0.24 0.02 0.00 0.52 0.00 0.00 34.95 35.72 2jec s ARG 174 CO 0.06 -0.16 -0.03 0.00 0.02 0.00 0.00 175.30 175.19 2jec s ALA 175 N -2.69 0.85 -0.03 2.13 0.00 -0.28 -0.71 121.76 121.02 2jec s ALA 175 Ca -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 51.96 51.70 2jec s ALA 175 Cb -0.01 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 2jec s ALA 175 CO -0.05 -0.30 0.07 -0.51 0.00 0.00 0.00 175.76 174.97 2jec s LEU 176 N 1.56 3.87 0.31 0.00 1.43 0.03 -0.98 118.68 124.90 2jec s LEU 176 Ca -0.00 0.17 -0.29 0.00 -1.03 0.00 0.00 54.13 52.97 2jec s LEU 176 Cb -0.13 -2.16 -0.10 0.00 0.03 0.00 0.00 46.19 43.83 2jec s LEU 176 CO -0.04 0.30 1.28 0.12 0.23 0.00 0.00 176.35 178.25 2jec s PHE 177 N -1.12 3.13 0.18 0.29 5.36 -0.57 -0.71 117.98 124.55 2jec s PHE 177 Ca 0.20 1.43 -0.13 0.00 -0.96 0.00 0.00 56.93 57.48 2jec s PHE 177 Cb -0.12 -3.63 0.09 0.00 -0.34 0.00 0.00 43.02 39.03 2jec s PHE 177 CO 0.11 -1.71 1.84 -0.92 -1.46 0.00 0.00 175.22 173.08 2jec h TYR 178 N 3.60 0.77 -3.41 10.12 5.03 -1.38 -3.43 116.97 128.28 2jec h TYR 178 Ca -0.48 0.01 -0.55 0.00 2.58 0.00 0.00 58.73 60.29 2jec h TYR 178 Cb 1.22 -0.26 -0.04 0.00 1.55 0.00 0.00 36.73 39.21 2jec h TYR 178 CO 0.57 0.51 0.17 0.00 -1.32 0.00 0.00 178.16 178.08 2jec s ALA 179 N -6.07 3.32 0.60 1.82 0.00 -1.26 -5.00 121.76 115.17 2jec s ALA 179 Ca -0.13 0.28 -0.18 0.00 0.00 0.00 0.00 51.96 51.93 2jec s ALA 179 Cb 0.13 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 20.16 2jec s ALA 179 CO 0.76 -0.03 0.87 -2.30 0.00 0.00 0.00 175.76 175.06 2jec n PRO 180 N 3.27 0.79 -4.85 0.00 -0.02 -1.26 -4.81 135.00 128.12 2jec n PRO 180 Ca -0.01 0.31 -0.33 0.00 -2.02 0.00 0.00 63.50 61.45 2jec n PRO 180 Cb 0.51 -2.08 -0.14 0.00 -0.02 0.00 0.00 33.50 31.77 2jec n PRO 180 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jec s VAL 181 N -1.56 3.04 -0.48 -1.45 1.01 0.70 -4.94 120.40 116.72 2jec s VAL 181 Ca 0.75 -0.71 -0.16 0.00 0.00 0.00 0.00 61.98 61.86 2jec s VAL 181 Cb -0.42 -2.22 0.07 0.00 0.00 0.00 0.00 36.38 33.81 2jec s VAL 181 CO 0.48 0.57 0.44 -2.28 0.00 0.00 0.00 175.10 174.31 2jec s HIS 182 N -0.30 3.20 -1.47 5.22 2.46 -1.26 -1.36 115.29 121.78 2jec s HIS 182 Ca 0.02 -0.81 0.15 0.00 0.47 0.00 0.00 55.06 54.90 2jec s HIS 182 Cb -0.13 -3.21 0.01 0.00 -0.13 0.00 0.00 32.58 29.12 2jec s HIS 182 CO 0.03 -0.84 0.85 0.44 -2.47 0.00 0.00 174.74 172.75 2jec n ILE 183 N 5.30 0.00 -3.51 0.89 -5.35 -0.17 -4.74 119.36 111.78 2jec n ILE 183 Ca -0.11 -0.36 -0.12 0.00 -0.27 0.00 0.00 62.75 61.89 2jec n ILE 183 Cb 0.44 1.20 -0.04 0.00 -1.74 0.00 0.00 39.64 39.50 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 -1.79 -0.48 0.25 4.28 -0.11 -1.20 -4.80 118.94 115.10 2jec s TRP 184 Ca 0.13 0.59 -0.07 0.00 1.22 0.00 0.00 56.10 57.97 2jec s TRP 184 Cb 0.12 0.48 -0.01 0.00 -1.50 0.00 0.00 33.47 32.57 2jec s TRP 184 CO 0.37 -0.57 0.38 -1.83 -4.62 0.00 0.00 176.95 170.68 2jec s GLU 185 N -2.21 1.53 0.28 5.86 -1.05 -1.26 -4.70 118.70 117.15 2jec s GLU 185 Ca -0.02 -1.46 0.01 0.00 -0.15 0.00 0.00 54.97 53.35 2jec s GLU 185 Cb -0.01 0.41 0.53 0.00 -0.44 0.00 0.00 34.13 34.62 2jec s GLU 185 CO -0.02 -0.61 1.86 1.57 0.95 0.00 0.00 175.26 179.01 2jec h LYS 186 N 2.32 1.01 -0.08 -4.83 2.10 -2.03 -2.62 116.57 112.44 2jec h LYS 186 Ca -0.29 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 2jec h LYS 186 Cb 1.25 -0.23 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 2jec h LYS 186 CO 0.41 0.67 0.00 -1.13 -2.00 0.00 0.00 179.45 177.39 2jec n SER 187 N -4.57 0.66 -4.76 7.07 3.41 -1.26 -4.97 113.62 109.20 2jec n SER 187 Ca 0.18 -1.66 -0.41 0.00 -0.26 0.00 0.00 58.87 56.71 2jec n SER 187 Cb 0.30 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.89 3.46 -0.25 7.33 0.00 -0.99 -4.15 121.76 125.27 2jec s ALA 188 Ca 0.24 1.07 -0.04 0.00 0.00 0.00 0.00 51.96 53.23 2jec s ALA 188 Cb 0.12 -3.41 -0.14 0.00 0.00 0.00 0.00 23.12 19.69 2jec s ALA 188 CO 0.18 -0.41 -0.26 0.28 0.00 0.00 0.00 175.76 175.55 2jec n VAL 189 N 1.35 1.38 -3.71 0.00 0.31 0.13 -4.94 118.33 112.86 2jec n VAL 189 Ca 0.01 -0.46 -0.14 0.00 -0.01 0.00 0.00 64.34 63.74 2jec n VAL 189 Cb 0.43 -1.55 -0.09 0.00 -0.91 0.00 0.00 33.84 31.73 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 -2.47 0.01 0.02 2.52 0.11 -1.04 -4.88 120.40 114.67 2jec s VAL 190 Ca -0.34 -0.06 0.03 0.00 -2.93 0.00 0.00 61.98 58.69 2jec s VAL 190 Cb 0.10 -0.66 -0.02 0.00 -1.53 0.00 0.00 36.38 34.28 2jec s VAL 190 CO 0.51 -0.03 -0.10 0.00 -3.33 0.00 0.00 175.10 172.14 2jec s ALA 191 N -0.04 0.84 0.05 1.54 0.00 -1.26 -0.49 121.76 122.40 2jec s ALA 191 Ca -0.02 -0.62 -0.08 0.00 0.00 0.00 0.00 51.96 51.23 2jec s ALA 191 Cb -0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 23.12 22.96 2jec s ALA 191 CO 0.02 0.14 0.16 -1.54 0.00 0.00 0.00 175.76 174.54 2jec s SER 192 N -0.87 0.11 0.10 0.00 1.04 -0.35 -1.12 113.70 112.62 2jec s SER 192 Ca -0.00 -0.52 -0.11 0.00 0.48 0.00 0.00 55.95 55.79 2jec s SER 192 Cb -0.06 0.29 0.01 0.00 0.10 0.00 0.00 66.02 66.35 2jec s SER 192 CO 0.00 -0.60 0.27 0.72 0.98 0.00 0.00 173.24 174.61 2jec s PHE 193 N -3.04 0.01 0.01 5.02 -0.12 -0.47 -1.32 117.98 118.08 2jec s PHE 193 Ca -0.01 -0.39 -0.09 0.00 -0.05 0.00 0.00 56.93 56.39 2jec s PHE 193 Cb 0.01 0.06 0.01 0.00 -0.63 0.00 0.00 43.02 42.47 2jec s PHE 193 CO -0.06 -0.60 0.18 0.16 -0.05 0.00 0.00 175.22 174.85 2jec s ASP 194 N -2.80 -0.01 0.01 1.98 1.47 -0.35 -1.46 116.67 115.51 2jec s ASP 194 Ca 0.04 -0.20 -0.03 0.00 1.18 0.00 0.00 52.55 53.54 2jec s ASP 194 Cb 0.03 0.24 -0.01 0.00 -0.34 0.00 0.00 42.92 42.85 2jec s ASP 194 CO -0.11 -0.43 0.04 0.00 0.68 0.00 0.00 175.17 175.35 2jec s ALA 195 N -1.66 -0.08 -0.01 2.11 0.00 -0.16 -0.68 121.76 121.28 2jec s ALA 195 Ca -0.12 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.56 2jec s ALA 195 Cb -0.06 0.09 -0.00 0.00 0.00 0.00 0.00 23.12 23.15 2jec s ALA 195 CO 0.01 -0.15 -0.05 0.99 0.00 0.00 0.00 175.76 176.55 2jec s THR 196 N -1.16 0.43 0.04 0.00 2.01 -0.68 -0.19 115.64 116.09 2jec s THR 196 Ca -0.13 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.67 2jec s THR 196 Cb -0.07 -0.38 -0.03 0.00 0.01 0.00 0.00 72.50 72.03 2jec s THR 196 CO 0.00 0.13 -0.04 0.72 -0.69 0.00 0.00 174.62 174.74 2jec s PHE 197 N 0.02 0.44 0.04 4.92 -0.12 -0.59 -0.38 117.98 122.30 2jec s PHE 197 Ca 0.00 -0.68 0.05 0.00 -0.05 0.00 0.00 56.93 56.26 2jec s PHE 197 Cb -0.04 -0.30 -0.03 0.00 -0.63 0.00 0.00 43.02 42.02 2jec s PHE 197 CO -0.00 -0.21 -0.11 0.95 -0.05 0.00 0.00 175.22 175.79 2jec s THR 198 N -2.16 3.29 0.02 -4.49 -4.23 -0.73 -0.53 115.64 106.80 2jec s THR 198 Ca -0.08 -1.01 -0.02 0.00 -1.18 0.00 0.00 61.69 59.40 2jec s THR 198 Cb -0.05 -2.44 -0.02 0.00 1.34 0.00 0.00 72.50 71.34 2jec s THR 198 CO -0.03 0.32 0.01 0.72 -0.54 0.00 0.00 174.62 175.10 2jec s PHE 199 N -1.01 0.21 -0.24 3.99 -0.71 -0.54 -1.72 117.98 117.96 2jec s PHE 199 Ca 0.17 -0.45 0.00 0.00 -1.04 0.00 0.00 56.93 55.62 2jec s PHE 199 Cb -0.11 -0.16 0.07 0.00 -1.21 0.00 0.00 43.02 41.61 2jec s PHE 199 CO 0.08 -0.22 -0.02 -1.17 -1.34 0.00 0.00 175.22 172.55 2jec s LEU 200 N -1.48 2.44 -0.30 -1.99 2.96 0.01 -1.13 118.68 119.19 2jec s LEU 200 Ca -0.15 -1.21 -0.09 0.00 -0.22 0.00 0.00 54.13 52.45 2jec s LEU 200 Cb -0.09 -1.08 -0.01 0.00 0.50 0.00 0.00 46.19 45.50 2jec s LEU 200 CO -0.01 -0.27 0.14 -0.63 -1.32 0.00 0.00 176.35 174.27 2jec s ILE 201 N 1.46 4.63 0.14 6.68 1.01 -1.26 -2.69 121.20 131.17 2jec s ILE 201 Ca -0.03 -0.33 0.09 0.00 0.00 0.00 0.00 60.65 60.39 2jec s ILE 201 Cb -0.18 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 2jec s ILE 201 CO -0.08 0.13 -0.16 -0.54 0.00 0.00 0.00 174.94 174.28 2jec s LYS 202 N 1.63 1.84 -0.21 2.79 1.02 -1.25 0.56 119.74 126.12 2jec s LYS 202 Ca 0.05 -1.22 -0.24 0.00 0.02 0.00 0.00 55.97 54.58 2jec s LYS 202 Cb -0.17 -2.11 0.06 0.00 -0.52 0.00 0.00 37.83 35.10 2jec s LYS 202 CO 0.06 0.46 0.65 0.45 -0.92 0.00 0.00 175.35 176.06 2jec s SER 203 N -2.34 -0.66 0.00 2.83 0.15 -1.26 -0.24 113.70 112.17 2jec s SER 203 Ca 0.20 1.18 0.28 0.00 0.70 0.00 0.00 55.95 58.31 2jec s SER 203 Cb -0.10 1.18 1.02 0.00 -1.71 0.00 0.00 66.02 66.41 2jec s SER 203 CO 0.11 -0.30 1.75 -0.81 1.20 0.00 0.00 173.24 175.20 2jec n PRO 204 N 2.39 0.33 -2.83 5.44 -0.04 -1.26 -4.93 135.00 134.10 2jec n PRO 204 Ca -0.15 -0.12 -0.36 0.00 -0.04 0.00 0.00 63.50 62.83 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 -2.75 7.26 0.25 3.54 1.01 -1.26 -4.97 116.67 119.75 2jec s ASP 205 Ca 0.20 1.76 -0.05 0.00 0.71 0.00 0.00 52.55 55.16 2jec s ASP 205 Cb 0.19 -2.55 0.28 0.00 1.01 0.00 0.00 42.92 41.85 2jec s ASP 205 CO 0.55 -0.08 1.91 -0.09 0.21 0.00 0.00 175.17 177.67 2jec h ARG 206 N 3.07 1.26 -3.76 8.23 2.43 -1.96 -3.32 114.38 120.33 2jec h ARG 206 Ca -0.47 -0.10 -0.64 0.00 -0.81 0.00 0.00 59.98 57.96 2jec h ARG 206 Cb 1.19 -0.27 -0.41 0.00 -0.42 0.00 0.00 29.97 30.06 2jec h ARG 206 CO 0.65 0.86 -0.67 -1.21 -1.51 0.00 0.00 179.97 178.09 2jec s GLU 207 N -5.98 1.72 0.79 0.20 2.02 -1.26 -5.11 118.70 111.09 2jec s GLU 207 Ca -0.13 -2.29 -0.13 0.00 0.02 0.00 0.00 54.97 52.44 2jec s GLU 207 Cb 0.18 -3.15 0.08 0.00 0.10 0.00 0.00 34.13 31.33 2jec s GLU 207 CO 0.82 -1.06 1.21 -2.14 0.02 0.00 0.00 175.26 174.11 2jec s PRO 208 N 0.19 1.71 0.06 0.39 0.02 -1.25 -4.58 135.00 131.55 2jec s PRO 208 Ca 0.15 1.75 -0.22 0.00 0.02 0.00 0.00 61.00 62.70 2jec s PRO 208 Cb -0.23 -1.78 0.05 0.00 0.02 0.00 0.00 34.50 32.55 2jec s PRO 208 CO -0.03 -2.16 0.52 0.00 -0.33 0.00 0.00 177.00 175.00 2jec s ALA 209 N -2.13 -1.34 -0.02 -1.55 0.00 -1.20 -4.10 121.76 111.43 2jec s ALA 209 Ca 0.73 0.57 0.02 0.00 0.00 0.00 0.00 51.96 53.29 2jec s ALA 209 Cb -0.29 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 2jec s ALA 209 CO 0.50 -0.53 0.02 -0.25 0.00 0.00 0.00 175.76 175.50 2jec n ASP 210 N 0.32 4.39 0.00 0.00 8.00 -0.44 -2.49 116.55 126.34 2jec n ASP 210 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 2jec n ASP 210 Cb 0.61 0.73 0.00 0.00 -0.02 0.00 0.00 41.12 42.44 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 2.70 0.34 3.11 0.44 0.00 -1.21 -2.48 105.19 108.09 2jec n GLY 211 Ca -0.03 -1.79 -0.21 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.74 1.08 0.14 -0.61 1.01 -0.66 -2.76 121.20 117.66 2jec s ILE 212 Ca 0.00 -0.72 0.07 0.00 0.00 0.00 0.00 60.65 60.00 2jec s ILE 212 Cb 0.00 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 2jec s ILE 212 CO 0.00 0.20 -0.17 0.42 0.00 0.00 0.00 174.94 175.39 2jec s THR 213 N -0.50 1.62 -0.19 2.92 -4.23 0.38 0.54 115.64 116.18 2jec s THR 213 Ca 0.04 -1.80 -0.09 0.00 -1.18 0.00 0.00 61.69 58.66 2jec s THR 213 Cb -0.06 -1.69 -0.05 0.00 1.34 0.00 0.00 72.50 72.04 2jec s THR 213 CO 0.00 -0.32 0.11 0.12 -0.54 0.00 0.00 174.62 173.99 2jec s PHE 214 N -1.98 3.37 0.06 3.99 5.36 -0.61 -1.05 117.98 127.12 2jec s PHE 214 Ca 0.12 0.27 0.00 0.00 -0.96 0.00 0.00 56.93 56.36 2jec s PHE 214 Cb -0.06 -2.13 -0.04 0.00 -0.34 0.00 0.00 43.02 40.45 2jec s PHE 214 CO 0.05 0.27 -0.04 -0.59 -1.46 0.00 0.00 175.22 173.44 2jec s PHE 215 N 0.32 0.61 -0.07 10.12 -0.71 -0.20 -0.22 117.98 127.83 2jec s PHE 215 Ca 0.07 -0.95 0.03 0.00 -1.04 0.00 0.00 56.93 55.03 2jec s PHE 215 Cb -0.11 -0.41 0.01 0.00 -1.21 0.00 0.00 43.02 41.30 2jec s PHE 215 CO -0.01 -0.29 -0.14 0.42 -1.34 0.00 0.00 175.22 173.86 2jec s ILE 216 N -3.51 1.28 0.26 -4.49 1.01 0.59 -0.85 121.20 115.48 2jec s ILE 216 Ca 0.06 -0.57 -0.04 0.00 0.00 0.00 0.00 60.65 60.10 2jec s ILE 216 Cb 0.05 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 2jec s ILE 216 CO -0.07 0.39 0.32 0.00 0.00 0.00 0.00 174.94 175.57 2jec s ALA 217 N 0.54 0.75 0.47 9.38 0.00 -0.48 -1.53 121.76 130.89 2jec s ALA 217 Ca -0.14 -1.46 -0.22 0.00 0.00 0.00 0.00 51.96 50.14 2jec s ALA 217 Cb -0.15 1.26 -0.10 0.00 0.00 0.00 0.00 23.12 24.12 2jec s ALA 217 CO 0.04 -0.72 0.71 0.27 0.00 0.00 0.00 175.76 176.07 2jec n ASN 218 N -0.66 -0.14 0.03 0.00 6.94 -1.19 -1.41 115.26 118.82 2jec n ASN 218 Ca 0.01 0.90 0.09 0.00 -0.02 0.00 0.00 54.58 55.56 2jec n ASN 218 Cb 0.63 -1.22 0.51 0.00 -2.36 0.00 0.00 39.78 37.35 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 0.87 0.99 -0.38 5.53 1.35 -1.85 -1.45 112.91 117.97 2jec h THR 219 Ca -0.43 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 2jec h THR 219 Cb 1.38 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 2jec h THR 219 CO 0.52 0.06 0.00 -0.90 -0.25 0.00 0.00 175.52 174.96 2jec n ASP 220 N -4.48 3.79 -4.65 5.36 5.75 -1.26 -4.68 116.55 116.38 2jec n ASP 220 Ca 0.05 -2.51 -0.44 0.00 -0.01 0.00 0.00 54.79 51.88 2jec n ASP 220 Cb 0.21 -0.58 -0.01 0.00 -1.03 0.00 0.00 41.12 39.71 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 0.46 1.89 -4.09 2.12 5.66 -0.55 -5.03 114.28 114.75 2jec n THR 221 Ca 0.17 -0.47 -0.09 0.00 -3.05 0.00 0.00 64.05 60.61 2jec n THR 221 Cb 0.79 -1.32 -0.09 0.00 -1.55 0.00 0.00 70.33 68.15 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 -0.35 0.32 -0.08 1.09 1.04 -1.26 -5.11 113.70 109.35 2jec s SER 222 Ca 0.58 -1.08 -0.29 0.00 0.48 0.00 0.00 55.95 55.64 2jec s SER 222 Cb -0.63 0.29 -0.06 0.00 0.10 0.00 0.00 66.02 65.72 2jec s SER 222 CO 0.60 -0.71 1.74 -0.63 0.98 0.00 0.00 173.24 175.22 2jec s ILE 223 N -3.99 3.47 0.45 -1.02 1.01 -1.26 -4.94 121.20 114.92 2jec s ILE 223 Ca 0.17 0.56 -0.23 0.00 0.00 0.00 0.00 60.65 61.15 2jec s ILE 223 Cb 0.07 -3.40 -0.07 0.00 0.01 0.00 0.00 42.46 39.06 2jec s ILE 223 CO -0.03 -0.09 1.16 -2.84 0.00 0.00 0.00 174.94 173.14 2jec s PRO 224 N 4.38 3.79 0.25 2.79 0.02 -1.26 -4.96 135.00 140.00 2jec s PRO 224 Ca 0.77 1.76 -0.31 0.00 0.02 0.00 0.00 61.00 63.25 2jec s PRO 224 Cb -0.33 -2.42 -0.14 0.00 0.02 0.00 0.00 34.50 31.63 2jec s PRO 224 CO 0.32 -0.52 1.26 0.45 -0.33 0.00 0.00 177.00 178.17 2jec n SER 225 N -0.45 2.14 0.00 2.53 2.88 -1.26 -2.32 113.62 117.14 2jec n SER 225 Ca 0.07 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 2jec n SER 225 Cb 0.48 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 2jec n SER 225 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jec n GLY 226 N 1.75 0.51 0.97 0.46 0.00 -1.26 -4.49 105.19 103.13 2jec n GLY 226 Ca 0.11 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.19 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 0.01 2.79 -4.47 1.61 3.41 -0.98 -4.69 113.62 111.30 2jec n SER 227 Ca 0.00 -2.16 -0.29 0.00 -0.26 0.00 0.00 58.87 56.16 2jec n SER 227 Cb 0.00 -0.39 0.24 0.00 -0.26 0.00 0.00 64.21 63.80 2jec n SER 227 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jec n GLY 228 N 0.96 -1.89 7.00 5.00 0.00 -1.26 -1.04 105.19 113.97 2jec n GLY 228 Ca 0.15 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.09 2jec n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jec n GLY 229 N 1.04 3.65 0.29 -0.02 0.00 -1.23 -2.01 105.19 106.91 2jec n GLY 229 Ca 0.04 0.15 0.19 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.91 -1.53 114.38 112.66 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 -0.19 1.28 0.10 0.00 0.00 179.97 181.16 2jec n LEU 231 N -2.82 1.05 -1.48 0.08 4.77 -0.85 -4.97 117.00 112.78 2jec n LEU 231 Ca -0.02 -0.28 -0.16 0.00 -0.03 0.00 0.00 56.01 55.51 2jec n LEU 231 Cb 0.10 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 2jec n LEU 231 CO 0.16 0.19 -0.18 0.18 -1.33 0.00 0.00 177.39 176.42 2jec n LEU 232 N -0.52 -1.39 -0.43 2.23 4.77 -0.58 -1.97 117.00 119.11 2jec n LEU 232 Ca 0.14 0.26 -0.06 0.00 -0.03 0.00 0.00 56.01 56.32 2jec n LEU 232 Cb 0.34 -2.38 -0.02 0.00 -2.33 0.00 0.00 43.42 39.02 2jec n LEU 232 CO 0.24 -0.62 -0.05 0.61 -1.33 0.00 0.00 177.39 176.24 2jec n GLY 233 N -0.98 0.74 0.05 -0.72 0.00 -0.21 -4.26 105.19 99.82 2jec n GLY 233 Ca -0.18 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.64 1.15 -4.13 0.99 4.77 -0.83 -4.39 117.00 113.92 2jec n LEU 234 Ca -0.06 -0.02 -0.20 0.00 -0.03 0.00 0.00 56.01 55.70 2jec n LEU 234 Cb 0.31 -0.02 -0.13 0.00 -2.33 0.00 0.00 43.42 41.25 2jec n LEU 234 CO 0.09 0.41 -0.46 -0.36 -1.33 0.00 0.00 177.39 175.73 2jec s PHE 235 N -2.23 1.20 -1.00 -1.77 0.08 -1.22 -4.79 117.98 108.25 2jec s PHE 235 Ca -0.09 -0.34 0.28 0.00 0.12 0.00 0.00 56.93 56.91 2jec s PHE 235 Cb 0.03 -0.72 1.13 0.00 -0.57 0.00 0.00 43.02 42.89 2jec s PHE 235 CO 0.34 0.02 1.85 -0.35 -0.10 0.00 0.00 175.22 176.98 2jec n PRO 236 N 2.01 0.00 -3.81 0.24 -0.04 -1.26 -3.86 135.00 128.28 2jec n PRO 236 Ca -0.18 -0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.20 2jec n PRO 236 Cb 0.55 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.53 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 -3.00 -0.02 -0.16 3.54 1.47 -1.26 -4.71 116.67 112.52 2jec s ASP 237 Ca 0.14 -1.08 0.15 0.00 1.18 0.00 0.00 52.55 52.93 2jec s ASP 237 Cb 0.19 0.83 0.71 0.00 -0.34 0.00 0.00 42.92 44.31 2jec s ASP 237 CO 0.56 -1.64 1.60 0.00 0.68 0.00 0.00 175.17 176.36 2jec n ALA 238 N -0.53 3.41 0.80 2.11 0.00 -1.26 -4.75 120.51 120.29 2jec n ALA 238 Ca -0.08 -1.59 0.06 0.00 0.00 0.00 0.00 53.44 51.83 2jec n ALA 238 Cb 0.60 -1.07 0.38 0.00 0.00 0.00 0.00 19.45 19.35 2jec n ALA 238 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59