#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jcw s GLN 2 N 0.00 1.15 0.08 5.55 -0.21 -1.26 -1.39 119.66 123.58 2jcw s GLN 2 Ca 0.00 -0.76 -0.02 0.00 0.02 0.00 0.00 55.36 54.60 2jcw s GLN 2 Cb 0.00 -1.18 -0.03 0.00 1.00 0.00 0.00 33.01 32.80 2jcw s GLN 2 CO 0.00 0.30 0.03 0.00 -2.12 0.00 0.00 175.29 173.51 2jcw s ALA 3 N -0.71 0.49 -0.07 6.09 0.00 -0.27 -1.77 121.76 125.52 2jcw s ALA 3 Ca 0.04 -1.19 -0.15 0.00 0.00 0.00 0.00 51.96 50.66 2jcw s ALA 3 Cb -0.08 0.49 0.03 0.00 0.00 0.00 0.00 23.12 23.56 2jcw s ALA 3 CO 0.01 -0.43 0.35 0.54 0.00 0.00 0.00 175.76 176.23 2jcw s VAL 4 N -3.95 0.03 -0.06 0.00 0.11 0.22 -0.95 120.40 115.79 2jcw s VAL 4 Ca 0.12 -0.25 0.02 0.00 -2.93 0.00 0.00 61.98 58.94 2jcw s VAL 4 Cb 0.07 -0.59 0.01 0.00 -1.53 0.00 0.00 36.38 34.35 2jcw s VAL 4 CO -0.06 -0.14 -0.12 0.00 -3.33 0.00 0.00 175.10 171.45 2jcw s ALA 5 N -0.67 1.21 -0.32 1.54 0.00 0.02 -0.82 121.76 122.72 2jcw s ALA 5 Ca -0.08 -0.38 -0.11 0.00 0.00 0.00 0.00 51.96 51.39 2jcw s ALA 5 Cb -0.04 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 2jcw s ALA 5 CO 0.03 0.10 0.20 0.08 0.00 0.00 0.00 175.76 176.17 2jcw s VAL 6 N 0.69 5.08 -0.25 0.00 1.01 -1.26 -1.03 120.40 124.64 2jcw s VAL 6 Ca -0.14 -0.17 -0.25 0.00 0.00 0.00 0.00 61.98 61.41 2jcw s VAL 6 Cb -0.16 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 2jcw s VAL 6 CO 0.03 0.08 0.85 -0.76 0.00 0.00 0.00 175.10 175.31 2jcw s LEU 7 N 1.70 4.08 0.11 3.92 1.43 0.00 -3.93 118.68 126.00 2jcw s LEU 7 Ca 0.06 1.05 0.05 0.00 -1.03 0.00 0.00 54.13 54.26 2jcw s LEU 7 Cb -0.17 -3.22 -0.04 0.00 0.03 0.00 0.00 46.19 42.79 2jcw s LEU 7 CO 0.09 -0.54 -0.12 -0.54 0.23 0.00 0.00 176.35 175.47 2jcw s LYS 8 N 2.90 0.95 0.06 1.70 1.02 -0.49 -2.19 119.74 123.68 2jcw s LYS 8 Ca 0.36 -1.22 -0.10 0.00 0.02 0.00 0.00 55.97 55.03 2jcw s LYS 8 Cb -0.15 -0.72 0.03 0.00 -0.52 0.00 0.00 37.83 36.47 2jcw s LYS 8 CO 0.08 0.13 0.47 0.41 -0.92 0.00 0.00 175.35 175.51 2jcw n GLY 9 N 0.48 0.88 0.77 -3.33 0.00 -1.25 -1.95 105.19 100.79 2jcw n GLY 9 Ca -0.15 -1.00 0.07 0.00 0.00 0.00 0.00 46.02 44.94 2jcw n GLY 9 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jcw n ASP 10 N -0.81 3.10 -1.05 1.61 8.00 -1.26 -4.58 116.55 121.56 2jcw n ASP 10 Ca -0.00 -1.99 0.09 0.00 0.71 0.00 0.00 54.79 53.60 2jcw n ASP 10 Cb 0.25 -0.27 0.25 0.00 -0.02 0.00 0.00 41.12 41.32 2jcw n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jcw n ALA 11 N 0.73 2.30 -0.56 2.24 0.00 -1.26 -4.95 120.51 119.01 2jcw n ALA 11 Ca 0.14 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.37 2jcw n ALA 11 Cb 0.46 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.19 2jcw n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jcw n GLY 12 N 1.19 0.78 3.81 0.00 0.00 -1.26 -5.04 105.19 104.67 2jcw n GLY 12 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 2jcw n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jcw s VAL 13 N -3.12 5.35 0.16 1.61 1.01 -1.26 -4.15 120.40 120.00 2jcw s VAL 13 Ca 0.00 0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.94 2jcw s VAL 13 Cb 0.00 -3.36 0.05 0.00 0.00 0.00 0.00 36.38 33.07 2jcw s VAL 13 CO 0.00 0.57 0.51 -0.94 0.00 0.00 0.00 175.10 175.24 2jcw s SER 14 N -0.61 -0.37 0.00 3.32 1.04 -0.73 -3.94 113.70 112.41 2jcw s SER 14 Ca 0.12 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.32 2jcw s SER 14 Cb -0.12 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2jcw s SER 14 CO 0.02 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.90 2jcw n GLY 15 N -0.31 -1.32 2.83 7.32 0.00 -0.93 -0.27 105.19 112.51 2jcw n GLY 15 Ca -0.15 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 2jcw n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jcw s VAL 16 N -2.65 -0.01 -0.11 1.61 1.01 -0.26 -0.81 120.40 119.19 2jcw s VAL 16 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.08 2jcw s VAL 16 Cb 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 36.38 36.34 2jcw s VAL 16 CO 0.00 0.04 -0.14 -0.69 0.00 0.00 0.00 175.10 174.31 2jcw s VAL 17 N 0.45 1.40 0.06 2.92 1.01 -0.20 -1.80 120.40 124.25 2jcw s VAL 17 Ca -0.04 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.40 2jcw s VAL 17 Cb -0.06 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 2jcw s VAL 17 CO -0.01 0.42 -0.03 -0.54 0.00 0.00 0.00 175.10 174.94 2jcw s LYS 18 N 1.05 2.52 0.01 2.72 -0.14 0.62 -0.80 119.74 125.72 2jcw s LYS 18 Ca -0.06 -0.81 0.04 0.00 -1.36 0.00 0.00 55.97 53.78 2jcw s LYS 18 Cb -0.15 -2.51 -0.01 0.00 -1.68 0.00 0.00 37.83 33.47 2jcw s LYS 18 CO -0.02 0.56 -0.11 -0.06 -0.76 0.00 0.00 175.35 174.95 2jcw s PHE 19 N -1.20 1.01 -0.12 3.18 0.40 -0.12 -1.40 117.98 119.72 2jcw s PHE 19 Ca 0.22 -0.27 -0.06 0.00 -0.60 0.00 0.00 56.93 56.23 2jcw s PHE 19 Cb -0.11 -0.62 0.05 0.00 0.51 0.00 0.00 43.02 42.84 2jcw s PHE 19 CO 0.14 -0.00 0.27 -2.00 0.70 0.00 0.00 175.22 174.33 2jcw s GLU 20 N -0.71 0.21 -0.08 0.44 2.12 -0.83 -1.12 118.70 118.74 2jcw s GLU 20 Ca 0.02 0.62 -0.03 0.00 0.36 0.00 0.00 54.97 55.94 2jcw s GLU 20 Cb -0.06 -0.08 0.04 0.00 0.26 0.00 0.00 34.13 34.29 2jcw s GLU 20 CO 0.00 -0.20 0.16 -1.14 -0.54 0.00 0.00 175.26 173.54 2jcw s GLN 21 N 1.61 0.05 -0.06 4.30 0.74 -0.49 -0.89 119.66 124.91 2jcw s GLN 21 Ca -0.06 0.51 -0.26 0.00 0.05 0.00 0.00 55.36 55.60 2jcw s GLN 21 Cb -0.11 -0.24 -0.21 0.00 1.10 0.00 0.00 33.01 33.55 2jcw s GLN 21 CO -0.09 -0.27 1.03 0.00 -0.55 0.00 0.00 175.29 175.41 2jcw h ALA 22 N 8.04 -0.04 -2.28 1.58 0.00 -1.84 0.19 119.26 124.90 2jcw h ALA 22 Ca -0.22 -0.31 -0.19 0.00 0.00 0.00 0.00 54.91 54.19 2jcw h ALA 22 Cb 1.12 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.78 2jcw h ALA 22 CO 0.22 -0.19 -0.68 -1.54 0.00 0.00 0.00 179.25 177.07 2jcw s SER 23 N -5.80 0.77 0.41 0.00 1.04 -1.26 -4.41 113.70 104.44 2jcw s SER 23 Ca -0.16 -1.07 0.13 0.00 0.48 0.00 0.00 55.95 55.33 2jcw s SER 23 Cb -0.00 0.17 0.98 0.00 0.10 0.00 0.00 66.02 67.27 2jcw s SER 23 CO 0.63 -0.58 1.92 -0.08 0.98 0.00 0.00 173.24 176.11 2jcw h GLU 24 N 2.96 0.48 0.00 4.02 4.81 -1.91 -2.13 114.58 122.81 2jcw h GLU 24 Ca -0.35 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 58.77 2jcw h GLU 24 Cb 1.17 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 2jcw h GLU 24 CO 0.64 0.32 -0.40 0.66 -0.73 0.00 0.00 179.01 179.50 2jcw h SER 25 N 0.49 0.00 -4.17 1.04 4.64 -1.96 -3.46 113.55 110.13 2jcw h SER 25 Ca 0.37 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 61.20 2jcw h SER 25 Cb 0.73 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.87 2jcw h SER 25 CO -0.13 0.40 0.38 -1.61 -0.87 0.00 0.00 176.83 175.00 2jcw s GLU 26 N -3.19 3.52 0.61 4.77 0.41 -0.80 -5.03 118.70 118.98 2jcw s GLU 26 Ca 0.03 1.20 -0.17 0.00 -0.41 0.00 0.00 54.97 55.62 2jcw s GLU 26 Cb 0.08 -2.06 -0.03 0.00 -1.78 0.00 0.00 34.13 30.34 2jcw s GLU 26 CO 0.71 -0.64 1.10 -2.14 -0.49 0.00 0.00 175.26 173.80 2jcw s PRO 27 N -3.89 3.11 -0.09 0.39 0.02 -1.26 -4.84 135.00 128.43 2jcw s PRO 27 Ca 0.64 1.41 -0.13 0.00 0.02 0.00 0.00 61.00 62.93 2jcw s PRO 27 Cb -0.15 -1.99 -0.05 0.00 0.02 0.00 0.00 34.50 32.33 2jcw s PRO 27 CO 0.32 -1.01 0.31 0.99 -0.33 0.00 0.00 177.00 177.29 2jcw s THR 28 N -2.20 5.24 -0.24 0.99 2.01 0.32 -4.71 115.64 117.05 2jcw s THR 28 Ca 0.68 0.61 -0.16 0.00 0.31 0.00 0.00 61.69 63.13 2jcw s THR 28 Cb -0.20 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 2jcw s THR 28 CO 0.36 0.51 0.40 -0.89 -0.69 0.00 0.00 174.62 174.30 2jcw s THR 29 N -0.43 5.17 -0.19 -0.82 2.01 -0.07 -0.37 115.64 120.93 2jcw s THR 29 Ca 0.19 0.66 -0.04 0.00 0.31 0.00 0.00 61.69 62.81 2jcw s THR 29 Cb -0.14 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 2jcw s THR 29 CO 0.08 0.19 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.49 2jcw s VAL 30 N 1.80 3.83 -0.04 3.82 1.01 0.10 -1.96 120.40 128.97 2jcw s VAL 30 Ca 0.17 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.85 2jcw s VAL 30 Cb -0.15 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 2jcw s VAL 30 CO 0.09 0.44 -0.20 -0.44 0.00 0.00 0.00 175.10 174.98 2jcw s SER 31 N 0.95 2.48 0.04 3.32 0.01 -0.50 -0.81 113.70 119.19 2jcw s SER 31 Ca 0.01 -0.40 -0.05 0.00 1.31 0.00 0.00 55.95 56.82 2jcw s SER 31 Cb -0.14 -0.52 -0.01 0.00 0.21 0.00 0.00 66.02 65.55 2jcw s SER 31 CO 0.01 0.22 0.09 -0.72 0.41 0.00 0.00 173.24 173.25 2jcw s TYR 32 N -0.22 0.23 -0.20 2.43 -0.85 0.32 -0.28 117.35 118.78 2jcw s TYR 32 Ca 0.01 -0.58 -0.04 0.00 -0.52 0.00 0.00 57.07 55.94 2jcw s TYR 32 Cb -0.11 -0.16 0.10 0.00 0.38 0.00 0.00 41.96 42.17 2jcw s TYR 32 CO 0.01 -0.39 0.27 -2.00 -1.52 0.00 0.00 175.55 171.93 2jcw s GLU 33 N -2.89 0.23 -0.07 -3.49 2.12 -0.74 -1.48 118.70 112.37 2jcw s GLU 33 Ca -0.03 0.39 0.02 0.00 0.36 0.00 0.00 54.97 55.71 2jcw s GLU 33 Cb 0.01 -0.81 0.01 0.00 0.26 0.00 0.00 34.13 33.60 2jcw s GLU 33 CO -0.06 -0.59 -0.12 0.42 -0.54 0.00 0.00 175.26 174.37 2jcw s ILE 34 N 2.40 1.16 0.34 -3.70 1.01 0.72 -1.10 121.20 122.03 2jcw s ILE 34 Ca 0.07 -0.48 0.09 0.00 0.00 0.00 0.00 60.65 60.34 2jcw s ILE 34 Cb -0.15 -1.06 -0.06 0.00 0.01 0.00 0.00 42.46 41.20 2jcw s ILE 34 CO -0.12 0.36 -0.00 0.00 0.00 0.00 0.00 174.94 175.17 2jcw s ALA 35 N 0.76 3.16 0.00 9.38 0.00 0.63 -0.81 121.76 134.89 2jcw s ALA 35 Ca -0.13 -1.99 0.00 0.00 0.00 0.00 0.00 51.96 49.84 2jcw s ALA 35 Cb -0.16 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.65 2jcw s ALA 35 CO 0.03 0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.26 2jcw n GLY 36 N -0.93 0.65 3.96 0.00 0.00 -1.20 -1.78 105.19 105.89 2jcw n GLY 36 Ca -0.04 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 2jcw n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jcw s ASN 37 N -2.19 4.14 0.41 1.61 0.01 -0.78 -4.41 114.94 113.73 2jcw s ASN 37 Ca 0.00 0.03 -0.25 0.00 -0.71 0.00 0.00 52.86 51.93 2jcw s ASN 37 Cb 0.00 -0.39 -0.08 0.00 0.41 0.00 0.00 41.25 41.18 2jcw s ASN 37 CO 0.00 -2.02 1.19 -0.44 -1.51 0.00 0.00 177.10 174.32 2jcw s SER 38 N -4.72 6.43 0.55 -1.22 0.01 -1.26 -4.34 113.70 109.15 2jcw s SER 38 Ca 0.67 2.39 -0.16 0.00 1.31 0.00 0.00 55.95 60.16 2jcw s SER 38 Cb -0.06 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.49 2jcw s SER 38 CO 0.47 -0.75 1.01 -2.16 0.41 0.00 0.00 173.24 172.22 2jcw s PRO 39 N -2.35 3.74 -1.39 12.44 0.04 -1.26 -4.18 135.00 142.05 2jcw s PRO 39 Ca 0.58 1.01 -0.02 0.00 0.04 0.00 0.00 61.00 62.61 2jcw s PRO 39 Cb -0.32 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.12 2jcw s PRO 39 CO 0.40 -0.45 0.43 0.09 0.04 0.00 0.00 177.00 177.51 2jcw n ASN 40 N -1.80 -0.67 -4.14 6.66 3.02 0.03 -4.92 115.26 113.44 2jcw n ASN 40 Ca 0.07 -1.03 -0.19 0.00 -0.03 0.00 0.00 54.58 53.41 2jcw n ASN 40 Cb 0.54 -2.99 -0.10 0.00 -0.61 0.00 0.00 39.78 36.63 2jcw n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jcw s ALA 41 N -3.94 2.00 -0.11 5.41 0.00 -1.23 -4.93 121.76 118.97 2jcw s ALA 41 Ca 0.04 -1.76 0.02 0.00 0.00 0.00 0.00 51.96 50.26 2jcw s ALA 41 Cb -0.02 1.05 -0.01 0.00 0.00 0.00 0.00 23.12 24.14 2jcw s ALA 41 CO 0.89 -0.46 -0.18 -1.21 0.00 0.00 0.00 175.76 174.80 2jcw s GLU 42 N -3.88 3.11 -0.04 0.00 2.02 -1.26 -0.67 118.70 117.98 2jcw s GLU 42 Ca 0.35 -0.78 0.03 0.00 0.02 0.00 0.00 54.97 54.60 2jcw s GLU 42 Cb 0.06 -2.44 0.00 0.00 0.10 0.00 0.00 34.13 31.85 2jcw s GLU 42 CO 0.16 0.25 -0.14 1.03 0.02 0.00 0.00 175.26 176.58 2jcw s ARG 43 N 0.22 1.43 0.33 1.61 1.81 0.04 -3.64 118.95 120.76 2jcw s ARG 43 Ca -0.12 -0.47 -0.29 0.00 -1.72 0.00 0.00 55.73 53.13 2jcw s ARG 43 Cb -0.16 -1.27 -0.12 0.00 -0.45 0.00 0.00 34.95 32.95 2jcw s ARG 43 CO 0.06 0.18 1.44 0.41 -0.68 0.00 0.00 175.30 176.72 2jcw n GLY 44 N 3.23 1.00 2.67 -3.53 0.00 0.01 -0.88 105.19 107.68 2jcw n GLY 44 Ca -0.18 0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 2jcw n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jcw s PHE 45 N -0.75 0.06 0.16 1.61 5.36 0.00 -0.40 117.98 124.03 2jcw s PHE 45 Ca 0.58 0.00 -0.07 0.00 -0.96 0.00 0.00 56.93 56.48 2jcw s PHE 45 Cb -0.53 -0.55 -0.02 0.00 -0.34 0.00 0.00 43.02 41.58 2jcw s PHE 45 CO 0.58 -0.41 0.23 -1.01 -1.46 0.00 0.00 175.22 173.15 2jcw s HIS 46 N 2.19 0.53 -0.27 10.12 3.76 -0.78 -2.22 115.29 128.62 2jcw s HIS 46 Ca 0.03 -0.89 -0.10 0.00 -0.15 0.00 0.00 55.06 53.95 2jcw s HIS 46 Cb -0.14 -0.17 -0.05 0.00 1.11 0.00 0.00 32.58 33.33 2jcw s HIS 46 CO -0.07 -0.67 0.17 0.42 -0.85 0.00 0.00 174.74 173.73 2jcw s ILE 47 N -3.99 5.18 0.25 0.60 1.01 0.12 -0.85 121.20 123.52 2jcw s ILE 47 Ca 0.19 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.98 2jcw s ILE 47 Cb 0.04 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 2jcw s ILE 47 CO 0.01 0.29 0.42 -1.00 0.00 0.00 0.00 174.94 174.65 2jcw s HIS 48 N 1.57 3.48 0.20 3.97 3.76 0.29 -1.10 115.29 127.46 2jcw s HIS 48 Ca 0.07 0.24 -0.10 0.00 -0.15 0.00 0.00 55.06 55.12 2jcw s HIS 48 Cb -0.15 -1.78 0.24 0.00 1.11 0.00 0.00 32.58 32.00 2jcw s HIS 48 CO 0.09 0.33 1.77 1.49 -0.85 0.00 0.00 174.74 177.57 2jcw h GLU 49 N 1.45 0.49 -6.29 1.40 4.81 -0.61 -2.88 114.58 112.94 2jcw h GLU 49 Ca -0.50 -0.03 -0.67 0.00 -0.13 0.00 0.00 59.36 58.04 2jcw h GLU 49 Cb 1.21 -0.11 -0.15 0.00 0.63 0.00 0.00 28.75 30.32 2jcw h GLU 49 CO 0.64 0.32 -0.69 -0.06 -0.73 0.00 0.00 179.01 178.50 2jcw s PHE 50 N -6.10 2.93 -0.73 0.92 0.08 -0.32 -4.67 117.98 110.10 2jcw s PHE 50 Ca -0.13 -0.02 -0.02 0.00 0.12 0.00 0.00 56.93 56.88 2jcw s PHE 50 Cb 0.16 -1.59 0.31 0.00 -0.57 0.00 0.00 43.02 41.33 2jcw s PHE 50 CO 0.75 0.41 2.16 0.41 -0.10 0.00 0.00 175.22 178.85 2jcw n GLY 51 N 1.28 5.33 3.37 4.36 0.00 -0.99 -3.45 105.19 115.09 2jcw n GLY 51 Ca -0.14 -2.29 -0.38 0.00 0.00 0.00 0.00 46.02 43.20 2jcw n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jcw s ASP 52 N -0.92 5.42 -0.23 1.61 -1.08 -1.26 -4.94 116.67 115.27 2jcw s ASP 52 Ca 0.55 -0.78 0.14 0.00 -0.52 0.00 0.00 52.55 51.93 2jcw s ASP 52 Cb 0.43 -1.95 0.60 0.00 -1.46 0.00 0.00 42.92 40.55 2jcw s ASP 52 CO -0.30 -0.26 1.54 0.00 0.52 0.00 0.00 175.17 176.68 2jcw n ALA 53 N 4.92 3.58 0.23 3.66 0.00 -1.26 -3.44 120.51 128.21 2jcw n ALA 53 Ca -0.13 -2.40 0.11 0.00 0.00 0.00 0.00 53.44 51.01 2jcw n ALA 53 Cb 0.47 -0.86 0.55 0.00 0.00 0.00 0.00 19.45 19.61 2jcw n ALA 53 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2jcw h THR 54 N 2.09 0.58 -2.12 0.00 1.35 -1.93 -3.27 112.91 109.61 2jcw h THR 54 Ca 0.08 -0.93 -0.57 0.00 -0.55 0.00 0.00 66.41 64.44 2jcw h THR 54 Cb 1.71 1.62 -0.41 0.00 -1.73 0.00 0.00 68.15 69.34 2jcw h THR 54 CO 0.38 0.19 -0.85 -3.20 -0.25 0.00 0.00 175.52 171.79 2jcw n ASN 55 N -3.49 2.36 0.00 5.36 5.15 -1.26 -5.05 115.26 118.33 2jcw n ASN 55 Ca -0.01 -3.19 0.00 0.00 -0.60 0.00 0.00 54.58 50.78 2jcw n ASN 55 Cb 0.36 -0.63 0.00 0.00 -0.53 0.00 0.00 39.78 38.98 2jcw n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jcw n GLY 56 N 0.75 2.95 0.36 8.20 0.00 -1.24 -1.92 105.19 114.28 2jcw n GLY 56 Ca 0.27 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.19 2jcw n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jcw h VAL 58 N 1.75 1.26 0.00 0.00 2.07 -1.73 -2.94 116.25 116.66 2jcw h VAL 58 Ca 0.00 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.50 2jcw h VAL 58 Cb 0.61 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2jcw h VAL 58 CO 0.00 0.34 0.00 -1.54 0.02 0.00 0.00 177.57 176.39 2jcw n SER 59 N -4.44 0.00 0.25 0.57 3.41 -1.13 -2.38 113.62 109.90 2jcw n SER 59 Ca -0.01 -0.36 0.16 0.00 -0.26 0.00 0.00 58.87 58.41 2jcw n SER 59 Cb 0.29 -0.09 0.67 0.00 -0.26 0.00 0.00 64.21 64.81 2jcw n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jcw h ALA 60 N 3.01 1.00 -0.11 7.33 0.00 -1.54 -3.39 119.26 125.56 2jcw h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jcw h ALA 60 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2jcw h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2jcw n GLY 61 N -0.02 -1.29 3.93 0.00 0.00 -1.00 -1.17 105.19 105.64 2jcw n GLY 61 Ca 0.01 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.47 2jcw n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jcw s PRO 62 N 0.00 0.94 0.38 1.61 0.04 -1.26 -4.67 135.00 132.04 2jcw s PRO 62 Ca 0.00 -0.38 -0.27 0.00 0.04 0.00 0.00 61.00 60.39 2jcw s PRO 62 Cb 0.00 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.54 2jcw s PRO 62 CO 0.00 -2.20 1.38 -1.01 0.04 0.00 0.00 177.00 175.20 2jcw s HIS 63 N -3.78 2.75 -0.01 0.56 3.76 -1.26 -0.29 115.29 117.01 2jcw s HIS 63 Ca 0.71 1.32 -0.30 0.00 -0.15 0.00 0.00 55.06 56.64 2jcw s HIS 63 Cb -0.05 -3.82 -0.08 0.00 1.11 0.00 0.00 32.58 29.75 2jcw s HIS 63 CO 0.52 -2.43 1.90 0.12 -0.85 0.00 0.00 174.74 174.00 2jcw s PHE 64 N -1.18 1.45 -0.42 1.40 5.36 -0.26 -4.50 117.98 119.84 2jcw s PHE 64 Ca 0.54 -0.21 0.08 0.00 -0.96 0.00 0.00 56.93 56.39 2jcw s PHE 64 Cb -0.42 -4.14 0.27 0.00 -0.34 0.00 0.00 43.02 38.39 2jcw s PHE 64 CO 0.55 -4.99 0.71 -1.71 -1.46 0.00 0.00 175.22 168.32 2jcw n ASN 65 N 7.81 -0.73 0.28 6.13 5.15 -1.26 -1.66 115.26 130.97 2jcw n ASN 65 Ca 0.20 -3.00 0.15 0.00 -0.60 0.00 0.00 54.58 51.33 2jcw n ASN 65 Cb 0.42 0.24 0.80 0.00 -0.53 0.00 0.00 39.78 40.71 2jcw n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2jcw h PRO 66 N 3.72 0.00 -0.22 1.20 0.13 -1.99 -2.54 132.00 132.31 2jcw h PRO 66 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2jcw h PRO 66 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2jcw h PRO 66 CO 0.40 0.08 0.00 1.19 -0.23 0.00 0.00 178.00 179.44 2jcw n PHE 67 N -3.49 0.28 -3.73 1.56 3.72 -1.26 -4.97 117.46 109.57 2jcw n PHE 67 Ca -0.02 -0.14 -0.25 0.00 -0.05 0.00 0.00 57.45 57.00 2jcw n PHE 67 Cb 0.22 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.78 2jcw n PHE 67 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2jcw n LYS 68 N 0.76 -3.28 -3.48 -1.08 5.02 -0.96 -5.02 118.16 110.12 2jcw n LYS 68 Ca 0.17 0.54 -0.22 0.00 -2.02 0.00 0.00 58.31 56.78 2jcw n LYS 68 Cb 0.44 -4.76 0.01 0.00 -0.02 0.00 0.00 35.03 30.70 2jcw n LYS 68 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2jcw s LYS 69 N -6.01 2.38 0.53 1.97 1.02 -1.26 -5.13 119.74 113.24 2jcw s LYS 69 Ca 0.17 -1.73 -0.03 0.00 0.02 0.00 0.00 55.97 54.40 2jcw s LYS 69 Cb -0.05 -2.38 0.01 0.00 -0.52 0.00 0.00 37.83 34.88 2jcw s LYS 69 CO 0.84 -0.57 0.79 0.95 -0.92 0.00 0.00 175.35 176.44 2jcw s THR 70 N -2.64 3.70 0.29 2.17 -4.23 -1.26 -4.76 115.64 108.91 2jcw s THR 70 Ca 0.48 -0.28 -0.29 0.00 -1.18 0.00 0.00 61.69 60.42 2jcw s THR 70 Cb -0.04 -3.42 -0.10 0.00 1.34 0.00 0.00 72.50 70.28 2jcw s THR 70 CO 0.29 -0.36 1.30 -2.28 -0.54 0.00 0.00 174.62 173.03 2jcw s HIS 71 N -2.78 3.14 0.01 3.99 2.46 0.17 -3.12 115.29 119.16 2jcw s HIS 71 Ca 0.52 1.37 -0.00 0.00 0.47 0.00 0.00 55.06 57.42 2jcw s HIS 71 Cb -0.10 -3.64 0.00 0.00 -0.13 0.00 0.00 32.58 28.71 2jcw s HIS 71 CO 0.41 -1.80 0.02 0.41 -2.47 0.00 0.00 174.74 171.31 2jcw n GLY 72 N 1.25 2.47 3.89 1.59 0.00 -1.26 -4.22 105.19 108.91 2jcw n GLY 72 Ca 0.02 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 2jcw n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jcw s ALA 73 N -1.29 3.31 0.55 4.61 0.00 -1.24 -4.74 121.76 122.96 2jcw s ALA 73 Ca 0.01 -0.35 0.24 0.00 0.00 0.00 0.00 51.96 51.85 2jcw s ALA 73 Cb -0.00 -2.74 1.50 0.00 0.00 0.00 0.00 23.12 21.88 2jcw s ALA 73 CO 0.01 -0.40 2.13 -1.35 0.00 0.00 0.00 175.76 176.15 2jcw h PRO 74 N 0.22 0.00 -0.01 0.00 0.11 -1.88 -0.76 132.00 129.67 2jcw h PRO 74 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2jcw h PRO 74 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2jcw h PRO 74 CO 0.62 0.00 -0.22 0.25 -0.21 0.00 0.00 178.00 178.44 2jcw n THR 75 N -4.18 0.00 -2.68 -1.15 -2.24 -1.26 -4.91 114.28 97.86 2jcw n THR 75 Ca 0.01 -0.14 -0.34 0.00 -2.27 0.00 0.00 64.05 61.30 2jcw n THR 75 Cb 0.25 0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 68.83 2jcw n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2jcw s ASP 76 N -2.43 6.69 0.15 3.42 1.01 -0.29 -4.95 116.67 120.27 2jcw s ASP 76 Ca 0.26 1.83 -0.05 0.00 0.71 0.00 0.00 52.55 55.30 2jcw s ASP 76 Cb 0.19 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.56 2jcw s ASP 76 CO 0.49 -0.54 1.40 -0.08 0.21 0.00 0.00 175.17 176.65 2jcw h GLU 77 N 1.88 0.56 -4.37 8.23 4.81 -1.91 -3.39 114.58 120.38 2jcw h GLU 77 Ca -0.49 -0.45 -0.73 0.00 -0.13 0.00 0.00 59.36 57.56 2jcw h GLU 77 Cb 1.20 0.09 -0.22 0.00 0.63 0.00 0.00 28.75 30.45 2jcw h GLU 77 CO 0.60 1.07 -0.34 0.08 -0.73 0.00 0.00 179.01 179.69 2jcw s VAL 78 N -3.70 5.23 0.23 0.32 1.01 -1.26 -5.01 120.40 117.23 2jcw s VAL 78 Ca -0.07 -0.94 -0.21 0.00 0.00 0.00 0.00 61.98 60.76 2jcw s VAL 78 Cb 0.10 -4.08 0.03 0.00 0.00 0.00 0.00 36.38 32.43 2jcw s VAL 78 CO 0.86 -0.51 0.65 0.00 0.00 0.00 0.00 175.10 176.10 2jcw s ARG 79 N 1.68 1.59 0.45 2.72 1.70 -1.22 -4.16 118.95 121.70 2jcw s ARG 79 Ca 0.05 -0.85 -0.15 0.00 -0.47 0.00 0.00 55.73 54.30 2jcw s ARG 79 Cb -0.23 0.58 -0.08 0.00 -0.57 0.00 0.00 34.95 34.66 2jcw s ARG 79 CO 0.08 -0.71 0.89 -1.01 -1.08 0.00 0.00 175.30 173.47 2jcw s HIS 80 N -3.87 3.42 0.31 5.89 3.76 -1.18 -4.68 115.29 118.93 2jcw s HIS 80 Ca 0.09 1.34 0.01 0.00 -0.15 0.00 0.00 55.06 56.35 2jcw s HIS 80 Cb -0.04 -2.67 0.54 0.00 1.11 0.00 0.00 32.58 31.52 2jcw s HIS 80 CO 0.00 -0.19 1.93 0.28 -0.85 0.00 0.00 174.74 175.91 2jcw h VAL 81 N 1.27 1.09 0.00 -0.90 2.07 -1.86 -2.45 116.25 115.47 2jcw h VAL 81 Ca -0.47 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.70 2jcw h VAL 81 Cb 1.18 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2jcw h VAL 81 CO 0.63 0.19 0.00 0.61 0.02 0.00 0.00 177.57 179.01 2jcw n GLY 82 N -1.40 -0.92 3.60 2.17 0.00 -0.67 -4.46 105.19 103.52 2jcw n GLY 82 Ca 0.12 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2jcw n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jcw s ASP 83 N -2.10 6.26 -0.02 1.61 1.01 -0.92 -0.70 116.67 121.81 2jcw s ASP 83 Ca 0.39 0.90 0.11 0.00 0.71 0.00 0.00 52.55 54.66 2jcw s ASP 83 Cb 0.19 -2.54 0.32 0.00 1.01 0.00 0.00 42.92 41.90 2jcw s ASP 83 CO 0.34 -1.48 1.27 0.23 0.21 0.00 0.00 175.17 175.73 2jcw n MET 84 N 8.15 2.88 0.00 8.23 2.81 -0.94 -4.24 117.12 134.01 2jcw n MET 84 Ca 0.18 -2.13 0.00 0.00 -1.81 0.00 0.00 57.70 53.94 2jcw n MET 84 Cb 0.48 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.66 2jcw n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jcw n GLY 85 N 0.36 1.11 3.58 3.03 0.00 -1.22 -4.80 105.19 107.25 2jcw n GLY 85 Ca 0.12 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 2jcw n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jcw s ASN 86 N -4.00 4.51 -0.01 1.61 0.01 -1.26 -0.81 114.94 114.98 2jcw s ASN 86 Ca 0.00 -0.19 -0.01 0.00 -0.71 0.00 0.00 52.86 51.96 2jcw s ASN 86 Cb 0.00 -1.01 -0.04 0.00 0.41 0.00 0.00 41.25 40.61 2jcw s ASN 86 CO 0.00 0.28 0.09 0.68 -1.51 0.00 0.00 177.10 176.63 2jcw s VAL 87 N -0.99 4.78 -0.15 1.60 -7.23 -0.06 -4.82 120.40 113.52 2jcw s VAL 87 Ca 0.17 -0.36 -0.11 0.00 -1.81 0.00 0.00 61.98 59.87 2jcw s VAL 87 Cb -0.11 -3.17 -0.05 0.00 0.56 0.00 0.00 36.38 33.61 2jcw s VAL 87 CO 0.07 0.37 0.20 -0.54 -0.31 0.00 0.00 175.10 174.89 2jcw s LYS 88 N -1.68 3.97 0.05 4.82 1.02 -1.26 -0.78 119.74 125.88 2jcw s LYS 88 Ca 0.22 -0.06 -0.01 0.00 0.02 0.00 0.00 55.97 56.14 2jcw s LYS 88 Cb -0.12 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.81 2jcw s LYS 88 CO 0.13 0.46 0.22 0.95 -0.92 0.00 0.00 175.35 176.19 2jcw s THR 89 N -0.13 5.38 0.00 2.17 -4.23 0.15 -4.29 115.64 114.69 2jcw s THR 89 Ca 0.14 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.33 2jcw s THR 89 Cb -0.12 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.10 2jcw s THR 89 CO 0.03 0.17 0.00 -0.90 -0.54 0.00 0.00 174.62 173.37 2jcw n ASP 90 N 0.40 0.00 0.09 3.99 5.68 0.97 -2.75 116.55 124.92 2jcw n ASP 90 Ca -0.06 -0.92 0.08 0.00 -0.50 0.00 0.00 54.79 53.39 2jcw n ASP 90 Cb 0.51 0.00 0.38 0.00 -1.14 0.00 0.00 41.12 40.87 2jcw n ASP 90 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2jcw n GLU 91 N -0.92 0.10 -0.22 0.11 0.00 -1.26 -0.79 120.64 117.65 2jcw n GLU 91 Ca 0.00 0.48 0.08 0.00 0.00 0.00 0.00 57.16 57.72 2jcw n GLU 91 Cb 0.00 -1.75 0.20 0.00 0.00 0.00 0.00 31.44 29.89 2jcw n GLU 91 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2jcw n ASN 92 N -1.95 3.22 -0.58 -1.84 5.03 -1.26 -4.77 115.26 113.11 2jcw n ASN 92 Ca 0.01 -1.96 -0.06 0.00 0.87 0.00 0.00 54.58 53.43 2jcw n ASN 92 Cb 0.11 -0.29 -0.02 0.00 -1.02 0.00 0.00 39.78 38.55 2jcw n ASN 92 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jcw n GLY 93 N 0.96 0.61 3.67 7.41 0.00 0.02 -4.68 105.19 113.18 2jcw n GLY 93 Ca 0.16 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 2jcw n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jcw s VAL 94 N -2.27 4.66 -0.23 1.61 1.01 -1.26 -1.86 120.40 122.07 2jcw s VAL 94 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 2jcw s VAL 94 Cb 0.00 -3.05 -0.00 0.00 0.00 0.00 0.00 36.38 33.33 2jcw s VAL 94 CO 0.00 0.53 -0.04 0.00 0.00 0.00 0.00 175.10 175.59 2jcw s ALA 95 N -0.17 2.81 -0.04 5.51 0.00 0.01 -0.02 121.76 129.86 2jcw s ALA 95 Ca 0.07 -1.22 -0.02 0.00 0.00 0.00 0.00 51.96 50.79 2jcw s ALA 95 Cb -0.12 -1.72 0.03 0.00 0.00 0.00 0.00 23.12 21.31 2jcw s ALA 95 CO 0.01 -0.50 0.08 0.21 0.00 0.00 0.00 175.76 175.56 2jcw s LYS 96 N 1.46 0.04 0.00 0.00 2.20 -1.26 -0.20 119.74 121.97 2jcw s LYS 96 Ca 0.05 0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.89 2jcw s LYS 96 Cb -0.15 -0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.02 2jcw s LYS 96 CO -0.03 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 2jcw n GLY 97 N 3.89 -1.22 3.48 5.54 0.00 -0.55 -5.00 105.19 111.34 2jcw n GLY 97 Ca -0.23 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 2jcw n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jcw s SER 98 N -4.00 -0.53 0.21 1.61 1.04 -1.26 -0.53 113.70 110.25 2jcw s SER 98 Ca 0.00 0.22 -0.20 0.00 0.48 0.00 0.00 55.95 56.45 2jcw s SER 98 Cb 0.00 0.50 0.04 0.00 0.10 0.00 0.00 66.02 66.66 2jcw s SER 98 CO 0.00 -0.73 0.61 0.72 0.98 0.00 0.00 173.24 174.82 2jcw s PHE 99 N -2.68 -0.27 -0.05 5.02 -0.12 0.01 -4.98 117.98 114.90 2jcw s PHE 99 Ca -0.01 -0.07 0.01 0.00 -0.05 0.00 0.00 56.93 56.80 2jcw s PHE 99 Cb -0.01 0.55 -0.03 0.00 -0.63 0.00 0.00 43.02 42.90 2jcw s PHE 99 CO -0.05 -1.00 -0.07 0.15 -0.05 0.00 0.00 175.22 174.20 2jcw s LYS 100 N -3.85 2.70 -0.01 1.99 1.02 -1.26 0.03 119.74 120.36 2jcw s LYS 100 Ca 0.07 -0.58 0.01 0.00 0.02 0.00 0.00 55.97 55.49 2jcw s LYS 100 Cb -0.03 -2.57 0.00 0.00 -0.52 0.00 0.00 37.83 34.72 2jcw s LYS 100 CO -0.03 0.65 -0.04 0.34 -0.92 0.00 0.00 175.35 175.36 2jcw s ASP 101 N -0.93 0.46 0.02 2.83 2.15 0.50 -4.92 116.67 116.77 2jcw s ASP 101 Ca 0.13 -0.07 0.23 0.00 0.43 0.00 0.00 52.55 53.28 2jcw s ASP 101 Cb -0.11 -0.08 0.18 0.00 -0.30 0.00 0.00 42.92 42.61 2jcw s ASP 101 CO 0.03 0.03 1.16 -1.20 -0.17 0.00 0.00 175.17 175.02 2jcw n SER 102 N 3.11 0.67 -0.03 -0.34 7.64 -1.26 -0.52 113.62 122.89 2jcw n SER 102 Ca -0.14 -0.43 -0.15 0.00 1.01 0.00 0.00 58.87 59.15 2jcw n SER 102 Cb 0.58 0.60 -0.14 0.00 -1.01 0.00 0.00 64.21 64.24 2jcw n SER 102 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jcw n LEU 103 N -1.64 1.77 -4.70 -3.43 4.77 -1.26 -4.86 117.00 107.64 2jcw n LEU 103 Ca 0.04 0.24 -0.42 0.00 -0.03 0.00 0.00 56.01 55.84 2jcw n LEU 103 Cb 0.36 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 2jcw n LEU 103 CO 0.39 0.65 0.89 -0.63 -1.33 0.00 0.00 177.39 177.36 2jcw s ILE 104 N -2.56 4.25 0.06 -0.08 1.01 -1.26 -4.99 121.20 117.62 2jcw s ILE 104 Ca -0.16 1.60 0.02 0.00 0.00 0.00 0.00 60.65 62.11 2jcw s ILE 104 Cb 0.07 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 2jcw s ILE 104 CO 0.78 0.06 -0.07 -0.54 0.00 0.00 0.00 174.94 175.17 2jcw s LYS 105 N 1.61 0.60 0.00 2.79 1.02 -1.26 -4.18 119.74 120.32 2jcw s LYS 105 Ca 0.56 -0.90 0.14 0.00 0.02 0.00 0.00 55.97 55.79 2jcw s LYS 105 Cb -0.26 -0.26 0.03 0.00 -0.52 0.00 0.00 37.83 36.82 2jcw s LYS 105 CO 0.25 0.03 0.82 1.28 -0.92 0.00 0.00 175.35 176.82 2jcw n LEU 106 N 1.08 1.67 -4.11 3.17 4.77 -1.26 -0.87 117.00 121.44 2jcw n LEU 106 Ca -0.20 -0.83 -0.22 0.00 -0.03 0.00 0.00 56.01 54.73 2jcw n LEU 106 Cb 0.56 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.51 2jcw n LEU 106 CO 0.23 0.32 -0.47 -0.63 -1.33 0.00 0.00 177.39 175.51 2jcw s ILE 107 N -1.57 1.10 0.00 -0.08 1.01 -1.26 -4.77 121.20 115.63 2jcw s ILE 107 Ca 0.13 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.10 2jcw s ILE 107 Cb 0.11 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.65 2jcw s ILE 107 CO 0.31 0.25 0.00 0.61 0.00 0.00 0.00 174.94 176.10 2jcw n GLY 108 N 2.56 -3.21 0.31 6.18 0.00 -1.26 -4.38 105.19 105.39 2jcw n GLY 108 Ca -0.15 -2.09 0.19 0.00 0.00 0.00 0.00 46.02 43.97 2jcw n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jcw h PRO 109 N 0.00 0.00 -0.49 1.61 0.13 -2.00 -2.50 132.00 128.75 2jcw h PRO 109 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2jcw h PRO 109 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2jcw h PRO 109 CO 0.00 0.03 0.00 0.25 -0.23 0.00 0.00 178.00 178.05 2jcw n THR 110 N -3.29 2.23 -1.60 1.56 -2.24 -1.26 -5.02 114.28 104.65 2jcw n THR 110 Ca -0.02 -1.46 -0.45 0.00 -2.27 0.00 0.00 64.05 59.85 2jcw n THR 110 Cb 0.16 -0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.27 2jcw n THR 110 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2jcw n SER 111 N 0.43 1.59 -0.71 3.42 2.88 -0.95 -4.48 113.62 115.81 2jcw n SER 111 Ca 0.24 1.17 0.12 0.00 -1.33 0.00 0.00 58.87 59.07 2jcw n SER 111 Cb 0.97 -1.30 0.34 0.00 -0.75 0.00 0.00 64.21 63.47 2jcw n SER 111 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2jcw n VAL 112 N 0.76 0.11 -1.91 2.46 0.24 -0.05 -4.90 118.33 115.03 2jcw n VAL 112 Ca 0.11 -0.40 -0.42 0.00 -2.04 0.00 0.00 64.34 61.59 2jcw n VAL 112 Cb 0.30 0.80 -0.03 0.00 -1.47 0.00 0.00 33.84 33.44 2jcw n VAL 112 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2jcw s VAL 113 N -1.89 2.65 0.00 3.34 1.01 -1.26 -1.44 120.40 122.81 2jcw s VAL 113 Ca 0.34 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.74 2jcw s VAL 113 Cb 0.20 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.32 2jcw s VAL 113 CO 0.31 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.04 2jcw n GLY 114 N 3.83 0.66 0.00 4.51 0.00 -0.23 -5.02 105.19 108.93 2jcw n GLY 114 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2jcw n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jcw n ARG 115 N -2.00 1.69 -4.32 1.61 1.74 -0.52 -2.33 116.66 112.53 2jcw n ARG 115 Ca 0.00 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 2jcw n ARG 115 Cb 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.32 2jcw n ARG 115 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2jcw s SER 116 N -0.89 2.74 -0.13 0.55 0.01 -1.09 -0.74 113.70 114.14 2jcw s SER 116 Ca 0.00 -0.77 -0.03 0.00 1.31 0.00 0.00 55.95 56.46 2jcw s SER 116 Cb 0.00 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 66.04 2jcw s SER 116 CO 0.00 0.04 -0.03 -0.69 0.41 0.00 0.00 173.24 172.97 2jcw s VAL 117 N -1.52 3.99 -0.07 3.43 1.01 -0.07 -0.55 120.40 126.63 2jcw s VAL 117 Ca 0.12 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.79 2jcw s VAL 117 Cb -0.08 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.58 2jcw s VAL 117 CO 0.06 0.53 -0.16 -0.69 0.00 0.00 0.00 175.10 174.83 2jcw s VAL 118 N -0.04 1.43 -0.15 2.92 1.01 -0.03 -1.75 120.40 123.79 2jcw s VAL 118 Ca 0.02 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 2jcw s VAL 118 Cb -0.13 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 2jcw s VAL 118 CO 0.02 0.42 0.01 -0.51 0.00 0.00 0.00 175.10 175.04 2jcw s ILE 119 N 0.45 4.32 0.40 2.22 1.10 -0.87 -1.87 121.20 126.96 2jcw s ILE 119 Ca -0.13 -0.21 0.03 0.00 -0.51 0.00 0.00 60.65 59.83 2jcw s ILE 119 Cb -0.15 -2.90 -0.00 0.00 0.15 0.00 0.00 42.46 39.55 2jcw s ILE 119 CO 0.05 0.50 0.59 -1.00 -2.11 0.00 0.00 174.94 172.97 2jcw s HIS 120 N 0.13 3.16 -1.22 3.50 3.76 0.46 -3.36 115.29 121.72 2jcw s HIS 120 Ca 0.02 0.03 0.26 0.00 -0.15 0.00 0.00 55.06 55.21 2jcw s HIS 120 Cb -0.13 -2.19 0.63 0.00 1.11 0.00 0.00 32.58 32.00 2jcw s HIS 120 CO 0.02 -0.23 1.49 0.00 -0.85 0.00 0.00 174.74 175.17 2jcw n ALA 121 N -1.90 3.35 -2.53 -1.40 0.00 -0.15 -4.43 120.51 113.44 2jcw n ALA 121 Ca 0.01 -0.35 -0.25 0.00 0.00 0.00 0.00 53.44 52.85 2jcw n ALA 121 Cb 0.58 -1.15 -0.09 0.00 0.00 0.00 0.00 19.45 18.79 2jcw n ALA 121 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2jcw s GLY 122 N -2.85 2.47 0.08 0.00 0.00 -0.03 -4.94 107.32 102.04 2jcw s GLY 122 Ca 0.15 -1.47 -0.24 0.00 0.00 0.00 0.00 44.72 43.16 2jcw s GLY 122 CO 0.64 -1.90 0.72 1.62 0.00 0.00 0.00 173.10 174.18 2jcw s GLN 123 N -3.80 4.46 -0.11 2.90 0.74 -1.24 -0.81 119.66 121.80 2jcw s GLN 123 Ca 0.26 1.01 -0.30 0.00 0.05 0.00 0.00 55.36 56.39 2jcw s GLN 123 Cb 0.05 -3.32 -0.01 0.00 1.10 0.00 0.00 33.01 30.83 2jcw s GLN 123 CO 0.13 0.42 1.02 0.34 -0.55 0.00 0.00 175.29 176.65 2jcw s ASP 124 N -0.51 7.23 0.00 6.67 -1.08 -1.26 -4.03 116.67 123.69 2jcw s ASP 124 Ca 0.36 1.54 0.21 0.00 -0.52 0.00 0.00 52.55 54.14 2jcw s ASP 124 Cb -0.21 -2.56 1.20 0.00 -1.46 0.00 0.00 42.92 39.90 2jcw s ASP 124 CO 0.23 -0.47 1.78 -0.90 0.52 0.00 0.00 175.17 176.33 2jcw n ASP 125 N 5.09 0.21 -2.34 -0.34 5.68 0.84 -4.89 116.55 120.80 2jcw n ASP 125 Ca 0.09 -1.38 -0.20 0.00 -0.50 0.00 0.00 54.79 52.80 2jcw n ASP 125 Cb 0.48 -0.01 -0.02 0.00 -1.14 0.00 0.00 41.12 40.44 2jcw n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2jcw n LEU 126 N -0.68 -1.81 -0.04 -2.12 4.77 -1.26 -1.68 117.00 114.17 2jcw n LEU 126 Ca 0.16 0.05 -0.01 0.00 -0.03 0.00 0.00 56.01 56.18 2jcw n LEU 126 Cb 0.11 -2.83 -0.00 0.00 -2.33 0.00 0.00 43.42 38.36 2jcw n LEU 126 CO 0.12 -0.28 -0.01 0.61 -1.33 0.00 0.00 177.39 176.51 2jcw n GLY 127 N -0.94 0.39 0.61 -0.72 0.00 -1.24 -3.73 105.19 99.57 2jcw n GLY 127 Ca -0.23 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 45.84 2jcw n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jcw n LYS 128 N -1.85 1.61 -2.42 1.61 4.01 -0.68 -4.70 118.16 115.76 2jcw n LYS 128 Ca -0.01 -1.23 -0.33 0.00 -0.51 0.00 0.00 58.31 56.23 2jcw n LYS 128 Cb 0.16 -1.47 -0.03 0.00 -0.51 0.00 0.00 35.03 33.18 2jcw n LYS 128 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2jcw s GLY 129 N -2.23 2.30 -0.81 0.72 0.00 -1.26 -4.94 107.32 101.10 2jcw s GLY 129 Ca 0.26 0.43 -0.05 0.00 0.00 0.00 0.00 44.72 45.37 2jcw s GLY 129 CO 0.43 0.74 2.65 2.09 0.00 0.00 0.00 173.10 179.01 2jcw n ASP 130 N -1.34 7.11 -4.05 1.64 5.75 -1.26 -4.73 116.55 119.67 2jcw n ASP 130 Ca 0.08 -3.14 -0.10 0.00 -0.01 0.00 0.00 54.79 51.62 2jcw n ASP 130 Cb 0.53 -1.30 -0.11 0.00 -1.03 0.00 0.00 41.12 39.22 2jcw n ASP 130 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2jcw s THR 131 N -1.60 0.32 0.35 2.12 -4.23 -1.26 -5.02 115.64 106.33 2jcw s THR 131 Ca 0.57 -1.31 0.04 0.00 -1.18 0.00 0.00 61.69 59.81 2jcw s THR 131 Cb 0.30 -0.84 0.22 0.00 1.34 0.00 0.00 72.50 73.51 2jcw s THR 131 CO -0.16 -0.64 1.96 1.05 -0.54 0.00 0.00 174.62 176.29 2jcw h GLU 132 N 4.02 0.66 -0.47 3.99 9.09 -2.01 -2.31 114.58 127.55 2jcw h GLU 132 Ca -0.34 -0.08 -0.04 0.00 0.05 0.00 0.00 59.36 58.95 2jcw h GLU 132 Cb 1.19 -0.13 -0.02 0.00 -1.65 0.00 0.00 28.75 28.13 2jcw h GLU 132 CO 0.50 0.52 0.12 0.93 0.05 0.00 0.00 179.01 181.13 2jcw h GLU 133 N 0.66 0.70 -0.79 1.06 4.39 -1.95 -2.27 114.58 116.39 2jcw h GLU 133 Ca 0.17 -0.13 0.05 0.00 0.34 0.00 0.00 59.36 59.79 2jcw h GLU 133 Cb 0.09 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.57 2jcw h GLU 133 CO -0.02 0.64 0.52 1.03 -1.16 0.00 0.00 179.01 180.01 2jcw h SER 134 N 0.68 0.78 0.49 1.42 0.87 -1.70 0.10 113.55 116.19 2jcw h SER 134 Ca 0.16 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2jcw h SER 134 Cb 0.25 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2jcw h SER 134 CO -0.00 0.52 -0.00 0.18 -0.53 0.00 0.00 176.83 176.99 2jcw n LEU 135 N -4.47 0.00 -0.06 2.23 4.77 -0.86 -2.18 117.00 116.43 2jcw n LEU 135 Ca 0.11 0.24 -0.13 0.00 -0.03 0.00 0.00 56.01 56.21 2jcw n LEU 135 Cb 0.18 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 40.98 2jcw n LEU 135 CO 0.34 0.00 -0.88 0.29 -1.33 0.00 0.00 177.39 175.81 2jcw n LYS 136 N -1.24 0.26 0.00 3.23 4.76 -0.39 -0.65 118.16 124.13 2jcw n LYS 136 Ca 0.16 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 2jcw n LYS 136 Cb 0.22 -0.93 0.00 0.00 -1.84 0.00 0.00 35.03 32.48 2jcw n LYS 136 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2jcw n THR 137 N -3.57 0.00 -1.02 -0.18 -2.24 0.21 -4.68 114.28 102.79 2jcw n THR 137 Ca -0.23 -0.47 -0.01 0.00 -2.27 0.00 0.00 64.05 61.07 2jcw n THR 137 Cb 0.64 0.98 -0.00 0.00 -2.10 0.00 0.00 70.33 69.85 2jcw n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jcw n GLY 138 N 1.03 0.46 2.88 3.38 0.00 -0.93 -3.46 105.19 108.55 2jcw n GLY 138 Ca 0.00 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 2jcw n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jcw n ASN 139 N 0.12 -4.86 0.10 1.61 3.02 -1.26 -0.11 115.26 113.88 2jcw n ASN 139 Ca -0.01 -0.16 0.11 0.00 -0.03 0.00 0.00 54.58 54.49 2jcw n ASN 139 Cb 0.11 -4.01 0.45 0.00 -0.61 0.00 0.00 39.78 35.71 2jcw n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jcw n ALA 140 N -2.99 1.66 0.00 5.41 0.00 -1.23 -4.67 120.51 118.70 2jcw n ALA 140 Ca -0.11 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2jcw n ALA 140 Cb 0.61 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2jcw n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jcw n GLY 141 N 0.00 -1.29 3.50 0.00 0.00 -1.26 -0.85 105.19 105.29 2jcw n GLY 141 Ca 0.02 -1.38 -0.31 0.00 0.00 0.00 0.00 46.02 44.36 2jcw n GLY 141 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jcw n PRO 142 N 0.00 -1.02 -3.81 1.61 -0.02 -1.26 -4.70 135.00 125.79 2jcw n PRO 142 Ca 0.00 -0.25 -0.32 0.00 -2.02 0.00 0.00 63.50 60.91 2jcw n PRO 142 Cb 0.00 -2.10 -0.11 0.00 -0.02 0.00 0.00 33.50 31.28 2jcw n PRO 142 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2jcw s ARG 143 N -4.15 2.58 0.49 -0.52 0.52 -1.26 -0.98 118.95 115.63 2jcw s ARG 143 Ca 0.63 -3.02 0.21 0.00 -0.52 0.00 0.00 55.73 53.03 2jcw s ARG 143 Cb -0.22 -3.60 1.25 0.00 0.52 0.00 0.00 34.95 32.91 2jcw s ARG 143 CO 0.63 -1.22 2.05 -1.00 0.02 0.00 0.00 175.30 175.78 2jcw h PRO 144 N 6.10 0.00 -3.21 3.54 0.13 -1.87 -3.44 132.00 133.25 2jcw h PRO 144 Ca 0.07 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.11 2jcw h PRO 144 Cb 0.84 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.80 2jcw h PRO 144 CO 0.74 0.14 -0.19 0.00 -0.23 0.00 0.00 178.00 178.47 2jcw s ALA 145 N -4.46 -0.81 0.15 -0.56 0.00 -1.25 -3.99 121.76 110.85 2jcw s ALA 145 Ca -0.04 0.11 -0.24 0.00 0.00 0.00 0.00 51.96 51.79 2jcw s ALA 145 Cb 0.15 0.35 0.06 0.00 0.00 0.00 0.00 23.12 23.67 2jcw s ALA 145 CO 0.64 -0.44 0.82 0.00 0.00 0.00 0.00 175.76 176.78 2jcw s GLY 147 N -2.81 -0.56 0.05 0.00 0.00 -0.72 -1.40 107.32 101.89 2jcw s GLY 147 Ca 0.08 1.23 -0.25 0.00 0.00 0.00 0.00 44.72 45.79 2jcw s GLY 147 CO -0.02 0.81 0.77 0.14 0.00 0.00 0.00 173.10 174.80 2jcw s VAL 148 N -1.68 4.70 -0.33 1.40 1.01 -1.26 -0.89 120.40 123.36 2jcw s VAL 148 Ca -0.08 1.64 -0.29 0.00 0.00 0.00 0.00 61.98 63.25 2jcw s VAL 148 Cb -0.00 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.27 2jcw s VAL 148 CO 0.05 0.38 1.16 -0.63 0.00 0.00 0.00 175.10 176.06 2jcw s ILE 149 N -0.14 4.34 0.33 2.22 1.01 0.08 -4.38 121.20 124.66 2jcw s ILE 149 Ca 0.38 1.53 0.09 0.00 0.00 0.00 0.00 60.65 62.65 2jcw s ILE 149 Cb -0.21 -4.34 -0.06 0.00 0.01 0.00 0.00 42.46 37.87 2jcw s ILE 149 CO 0.23 -0.53 -0.03 -0.83 0.00 0.00 0.00 174.94 173.78 2jcw s GLY 150 N 2.14 2.06 0.35 6.18 0.00 -0.00 -1.06 107.32 116.98 2jcw s GLY 150 Ca 0.50 -1.97 -0.24 0.00 0.00 0.00 0.00 44.72 43.01 2jcw s GLY 150 CO 0.20 -1.93 0.93 1.08 0.00 0.00 0.00 173.10 173.38 2jcw s LEU 151 N -3.67 4.21 0.00 0.66 1.43 -1.26 -0.61 118.68 119.43 2jcw s LEU 151 Ca 0.34 1.75 0.01 0.00 -1.03 0.00 0.00 54.13 55.20 2jcw s LEU 151 Cb -0.00 -4.15 -0.00 0.00 0.03 0.00 0.00 46.19 42.07 2jcw s LEU 151 CO 0.18 -0.15 0.29 1.07 0.23 0.00 0.00 176.35 177.98 2jcw n THR 152 N 0.19 0.00 -0.08 5.49 5.66 -0.73 -4.84 114.28 119.98 2jcw n THR 152 Ca 0.03 -1.48 0.00 0.00 -3.05 0.00 0.00 64.05 59.56 2jcw n THR 152 Cb 0.51 0.83 0.00 0.00 -1.55 0.00 0.00 70.33 70.12 2jcw n THR 152 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56