#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jk4 n ARG 2 N 0.00 0.00 0.00 0.03 1.85 -1.26 -4.99 116.66 112.29 2jk4 n ARG 2 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2jk4 n ARG 2 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2jk4 n ARG 2 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2jk4 n GLY 3 N 0.00 1.13 0.00 2.89 0.00 -1.26 -4.54 105.19 103.41 2jk4 n GLY 3 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2jk4 n GLY 3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jk4 n SER 4 N 0.00 0.22 -1.20 1.61 7.64 -1.26 -5.09 113.62 115.54 2jk4 n SER 4 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 2jk4 n SER 4 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 2jk4 n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jk4 n ALA 5 N -3.00 3.58 -2.00 -0.43 0.00 -1.26 -5.07 120.51 112.33 2jk4 n ALA 5 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.58 2jk4 n ALA 5 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.04 2jk4 n ALA 5 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2jk4 n VAL 6 N -0.10 0.00 -1.74 0.00 0.24 -1.25 -3.59 118.33 111.88 2jk4 n VAL 6 Ca -0.24 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 2jk4 n VAL 6 Cb 0.75 -0.09 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 2jk4 n VAL 6 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 2jk4 n PRO 7 N 0.00 -2.32 0.00 7.34 -0.02 -1.26 -4.73 135.00 134.02 2jk4 n PRO 7 Ca 0.00 1.64 0.00 0.00 -2.02 0.00 0.00 63.50 63.12 2jk4 n PRO 7 Cb 0.00 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 2jk4 n PRO 7 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2jk4 n PRO 8 N 1.50 1.89 -0.12 0.52 -0.04 -1.26 -4.87 135.00 132.61 2jk4 n PRO 8 Ca 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 2jk4 n PRO 8 Cb 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.33 2jk4 n PRO 8 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2jk4 n THR 9 N 0.00 1.45 0.92 0.52 -1.04 -1.26 -4.31 114.28 110.57 2jk4 n THR 9 Ca 0.00 -0.61 0.00 0.00 -2.04 0.00 0.00 64.05 61.40 2jk4 n THR 9 Cb 0.00 -1.24 0.00 0.00 -1.82 0.00 0.00 70.33 67.27 2jk4 n THR 9 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jk4 n TYR 10 N -3.16 0.00 0.00 -1.42 4.11 -1.26 -4.64 117.16 110.79 2jk4 n TYR 10 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.47 2jk4 n TYR 10 Cb 1.01 -0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.35 2jk4 n TYR 10 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2jk4 n ALA 11 N -0.46 0.00 0.31 -3.48 0.00 -1.26 -0.83 120.51 114.79 2jk4 n ALA 11 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2jk4 n ALA 11 Cb 0.01 0.00 0.37 0.00 0.00 0.00 0.00 19.45 19.83 2jk4 n ALA 11 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2jk4 h ASP 12 N 0.00 0.00 -0.02 0.00 3.58 -1.94 0.58 116.42 118.62 2jk4 h ASP 12 Ca 0.00 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 2jk4 h ASP 12 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2jk4 h ASP 12 CO 0.00 0.00 -0.27 -0.07 -2.88 0.00 0.00 179.24 176.02 2jk4 h LEU 13 N 0.00 0.44 0.00 2.28 4.07 -1.81 -3.25 115.31 117.04 2jk4 h LEU 13 Ca 0.00 -0.15 -0.15 0.00 0.08 0.00 0.00 57.88 57.66 2jk4 h LEU 13 Cb 1.29 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.88 2jk4 h LEU 13 CO 0.00 0.71 -1.85 0.61 -1.08 0.00 0.00 178.44 176.83 2jk4 n GLY 14 N -0.37 -0.69 0.20 0.83 0.00 0.20 -3.78 105.19 101.57 2jk4 n GLY 14 Ca -0.01 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.79 2jk4 n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jk4 h LYS 15 N 0.00 0.00 0.00 1.61 1.57 -1.49 0.84 116.57 119.11 2jk4 h LYS 15 Ca -0.22 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.31 2jk4 h LYS 15 Cb 1.36 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.63 2jk4 h LYS 15 CO 0.01 0.34 -2.03 0.45 -0.57 0.00 0.00 179.45 177.65 2jk4 n SER 16 N -3.59 0.28 -0.03 0.86 2.88 -1.23 -3.30 113.62 109.49 2jk4 n SER 16 Ca -0.01 0.13 -0.13 0.00 -1.33 0.00 0.00 58.87 57.53 2jk4 n SER 16 Cb 0.47 0.88 -0.09 0.00 -0.75 0.00 0.00 64.21 64.71 2jk4 n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jk4 h ALA 17 N 1.27 0.07 -0.42 -1.46 0.00 -1.61 1.63 119.26 118.74 2jk4 h ALA 17 Ca -0.34 -0.33 0.08 0.00 0.00 0.00 0.00 54.91 54.33 2jk4 h ALA 17 Cb 1.85 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 2jk4 h ALA 17 CO 0.03 -0.07 0.29 -0.09 0.00 0.00 0.00 179.25 179.42 2jk4 h ARG 18 N -0.37 0.22 0.00 0.00 2.43 -1.01 5.81 114.38 121.46 2jk4 h ARG 18 Ca 0.00 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2jk4 h ARG 18 Cb 0.68 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2jk4 h ARG 18 CO 0.02 0.15 -0.04 0.22 -1.51 0.00 0.00 179.97 178.81 2jk4 h ASP 19 N 0.23 0.00 0.31 -3.80 3.58 -1.37 -1.75 116.42 113.61 2jk4 h ASP 19 Ca 0.19 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.42 2jk4 h ASP 19 Cb 0.46 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.47 2jk4 h ASP 19 CO -0.04 0.04 -1.90 0.52 -2.88 0.00 0.00 179.24 174.99 2jk4 n VAL 20 N -3.13 1.11 0.21 2.25 0.31 1.14 -4.05 118.33 116.19 2jk4 n VAL 20 Ca 0.02 -0.73 0.11 0.00 -0.01 0.00 0.00 64.34 63.73 2jk4 n VAL 20 Cb 0.45 -0.55 0.24 0.00 -0.91 0.00 0.00 33.84 33.07 2jk4 n VAL 20 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2jk4 h PHE 21 N 0.00 0.00 -0.36 3.52 3.57 1.02 -3.21 116.94 121.47 2jk4 h PHE 21 Ca -0.29 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.32 2jk4 h PHE 21 Cb 1.78 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.50 2jk4 h PHE 21 CO 0.00 0.12 0.75 0.00 -2.23 0.00 0.00 178.31 176.95 2jk4 h THR 22 N 0.00 0.09 0.00 4.41 1.03 -1.46 -3.24 112.91 113.74 2jk4 h THR 22 Ca -0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 66.41 66.24 2jk4 h THR 22 Cb 0.98 0.33 0.02 0.00 -1.07 0.00 0.00 68.15 68.41 2jk4 h THR 22 CO 0.02 0.00 1.32 1.17 -0.01 0.00 0.00 175.52 178.02 2jk4 n LYS 23 N -3.08 0.35 -1.08 0.00 4.81 -1.22 -4.52 118.16 113.43 2jk4 n LYS 23 Ca 0.07 -0.75 0.14 0.00 -0.87 0.00 0.00 58.31 56.91 2jk4 n LYS 23 Cb 0.89 -2.16 -0.04 0.00 0.02 0.00 0.00 35.03 33.74 2jk4 n LYS 23 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jk4 n GLY 24 N 4.12 -1.47 3.57 3.14 0.00 -1.22 -4.17 105.19 109.14 2jk4 n GLY 24 Ca 0.14 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 2jk4 n GLY 24 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jk4 s TYR 25 N -2.17 2.26 0.24 1.61 1.51 -1.26 -4.76 117.35 114.77 2jk4 s TYR 25 Ca 0.00 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 2jk4 s TYR 25 Cb 0.00 -4.39 0.00 0.00 -0.11 0.00 0.00 41.96 37.46 2jk4 s TYR 25 CO 0.00 -1.74 0.00 0.41 -1.11 0.00 0.00 175.55 173.11 2jk4 n GLY 26 N 6.45 -3.11 0.24 0.71 0.00 -1.26 -4.07 105.19 104.15 2jk4 n GLY 26 Ca 0.40 -1.21 -0.01 0.00 0.00 0.00 0.00 46.02 45.20 2jk4 n GLY 26 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2jk4 h PHE 27 N -0.27 0.44 -1.03 1.61 0.05 -1.86 -3.38 116.94 112.50 2jk4 h PHE 27 Ca -0.04 -0.08 -0.12 0.00 3.82 0.00 0.00 57.97 61.55 2jk4 h PHE 27 Cb 0.47 -0.11 -0.18 0.00 2.00 0.00 0.00 35.95 38.13 2jk4 h PHE 27 CO 0.02 0.58 -0.48 0.20 -0.18 0.00 0.00 178.31 178.45 2jk4 s GLY 28 N -4.02 -1.22 -0.29 -1.45 0.00 -1.25 -0.17 107.32 98.94 2jk4 s GLY 28 Ca -0.06 -0.21 -0.26 0.00 0.00 0.00 0.00 44.72 44.18 2jk4 s GLY 28 CO 0.77 3.63 1.37 0.48 0.00 0.00 0.00 173.10 179.35 2jk4 s LEU 29 N 1.23 -0.10 -0.19 0.66 2.34 -1.24 -0.64 118.68 120.76 2jk4 s LEU 29 Ca 0.25 0.17 -0.14 0.00 0.06 0.00 0.00 54.13 54.46 2jk4 s LEU 29 Cb -0.02 1.20 -0.04 0.00 -0.56 0.00 0.00 46.19 46.77 2jk4 s LEU 29 CO -0.06 -0.05 0.31 -0.63 -1.06 0.00 0.00 176.35 174.86 2jk4 s ILE 30 N -0.27 5.28 -0.35 1.48 -1.09 -1.00 -1.93 121.20 123.32 2jk4 s ILE 30 Ca 0.07 0.56 -0.01 0.00 -2.23 0.00 0.00 60.65 59.04 2jk4 s ILE 30 Cb -0.04 -3.65 0.12 0.00 -1.58 0.00 0.00 42.46 37.31 2jk4 s ILE 30 CO -0.12 0.33 0.17 -0.54 -1.23 0.00 0.00 174.94 173.56 2jk4 s LYS 31 N 0.85 0.64 -0.75 2.79 1.02 -1.07 0.11 119.74 123.33 2jk4 s LYS 31 Ca 0.16 -1.22 -0.24 0.00 0.02 0.00 0.00 55.97 54.69 2jk4 s LYS 31 Cb -0.14 -1.61 0.06 0.00 -0.52 0.00 0.00 37.83 35.62 2jk4 s LYS 31 CO 0.05 -1.11 1.14 -1.17 -0.92 0.00 0.00 175.35 173.35 2jk4 s LEU 32 N 1.28 3.90 -0.32 3.17 0.20 -0.82 -2.89 118.68 123.20 2jk4 s LEU 32 Ca 0.14 -0.93 -0.13 0.00 0.69 0.00 0.00 54.13 53.90 2jk4 s LEU 32 Cb -0.21 -2.48 -0.03 0.00 -0.43 0.00 0.00 46.19 43.04 2jk4 s LEU 32 CO -0.13 -1.57 0.29 -1.81 -0.29 0.00 0.00 176.35 172.84 2jk4 s ASP 33 N 3.83 6.12 -0.26 3.68 1.11 -0.56 -2.32 116.67 128.26 2jk4 s ASP 33 Ca 0.30 -0.16 -0.07 0.00 0.18 0.00 0.00 52.55 52.80 2jk4 s ASP 33 Cb -0.11 -2.16 -0.02 0.00 1.07 0.00 0.00 42.92 41.70 2jk4 s ASP 33 CO 0.08 -0.22 0.07 -0.76 1.18 0.00 0.00 175.17 175.53 2jk4 s LEU 34 N 1.88 3.55 -0.13 1.23 1.02 -0.13 -2.43 118.68 123.67 2jk4 s LEU 34 Ca 0.09 -0.38 -0.05 0.00 0.02 0.00 0.00 54.13 53.81 2jk4 s LEU 34 Cb -0.17 -1.90 -0.04 0.00 0.02 0.00 0.00 46.19 44.10 2jk4 s LEU 34 CO 0.11 -0.09 0.07 -0.75 0.02 0.00 0.00 176.35 175.71 2jk4 s LYS 35 N 1.57 3.48 0.00 1.70 2.20 -0.48 -0.85 119.74 127.37 2jk4 s LYS 35 Ca 0.05 -0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.37 2jk4 s LYS 35 Cb -0.16 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 2jk4 s LYS 35 CO 0.03 0.58 0.00 2.41 -0.36 0.00 0.00 175.35 178.01 2jk4 n THR 36 N 2.58 0.00 0.00 3.43 -1.04 -1.08 -2.51 114.28 115.66 2jk4 n THR 36 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2jk4 n THR 36 Cb 0.54 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 2jk4 n THR 36 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2jk4 n LYS 37 N 0.00 0.00 -4.03 -2.82 0.00 -1.26 -3.16 118.16 106.89 2jk4 n LYS 37 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.18 2jk4 n LYS 37 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 34.90 2jk4 n LYS 37 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2jk4 s SER 38 N 0.00 0.47 0.55 3.14 0.01 0.13 -4.37 113.70 113.61 2jk4 s SER 38 Ca 0.00 -0.29 0.33 0.00 1.31 0.00 0.00 55.95 57.30 2jk4 s SER 38 Cb 0.00 0.01 1.32 0.00 0.21 0.00 0.00 66.02 67.56 2jk4 s SER 38 CO 0.00 -0.11 1.97 -0.08 0.41 0.00 0.00 173.24 175.43 2jk4 h GLU 39 N 5.31 0.00 0.00 12.44 4.81 -1.88 -2.79 114.58 132.46 2jk4 h GLU 39 Ca -0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2jk4 h GLU 39 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2jk4 h GLU 39 CO 0.46 0.00 0.00 -1.71 -0.73 0.00 0.00 179.01 177.03 2jk4 n ASN 40 N -3.09 0.00 0.00 1.04 5.15 -1.26 -4.70 115.26 112.40 2jk4 n ASN 40 Ca 0.01 0.06 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 2jk4 n ASN 40 Cb 0.32 -0.13 0.00 0.00 -0.53 0.00 0.00 39.78 39.44 2jk4 n ASN 40 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jk4 n GLY 41 N -0.93 0.94 3.35 8.20 0.00 -1.07 -5.07 105.19 110.62 2jk4 n GLY 41 Ca 0.02 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 2jk4 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jk4 s LEU 42 N 0.00 4.15 0.14 0.99 1.43 -1.15 -3.40 118.68 120.84 2jk4 s LEU 42 Ca 0.00 -0.82 -0.12 0.00 -1.03 0.00 0.00 54.13 52.16 2jk4 s LEU 42 Cb 0.00 -1.92 -0.07 0.00 0.03 0.00 0.00 46.19 44.23 2jk4 s LEU 42 CO 0.00 -0.26 0.50 -1.61 0.23 0.00 0.00 176.35 175.21 2jk4 s GLU 43 N 1.51 3.86 0.19 1.70 8.01 0.06 0.17 118.70 134.20 2jk4 s GLU 43 Ca 0.02 0.33 0.04 0.00 0.01 0.00 0.00 54.97 55.37 2jk4 s GLU 43 Cb -0.18 -2.90 -0.05 0.00 -4.31 0.00 0.00 34.13 26.70 2jk4 s GLU 43 CO 0.04 0.47 -0.06 -0.06 0.01 0.00 0.00 175.26 175.66 2jk4 s PHE 44 N -1.52 1.41 -0.29 1.61 0.40 -1.19 -1.05 117.98 117.35 2jk4 s PHE 44 Ca 0.38 -0.83 0.02 0.00 -0.60 0.00 0.00 56.93 55.91 2jk4 s PHE 44 Cb -0.14 -0.76 0.19 0.00 0.51 0.00 0.00 43.02 42.83 2jk4 s PHE 44 CO 0.19 0.03 0.62 0.95 0.70 0.00 0.00 175.22 177.72 2jk4 s THR 45 N -3.36 -0.96 -0.01 0.64 -4.23 -0.80 -2.63 115.64 104.30 2jk4 s THR 45 Ca 0.22 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.72 2jk4 s THR 45 Cb 0.04 -0.97 -0.04 0.00 1.34 0.00 0.00 72.50 72.86 2jk4 s THR 45 CO 0.04 0.00 0.11 -0.55 -0.54 0.00 0.00 174.62 173.68 2jk4 s SER 46 N 2.85 5.87 0.03 3.99 0.15 -0.03 0.39 113.70 126.95 2jk4 s SER 46 Ca 0.15 0.20 -0.14 0.00 0.70 0.00 0.00 55.95 56.86 2jk4 s SER 46 Cb -0.12 -1.73 0.02 0.00 -1.71 0.00 0.00 66.02 62.48 2jk4 s SER 46 CO -0.23 0.27 0.30 -0.44 1.20 0.00 0.00 173.24 174.33 2jk4 s SER 47 N -1.79 -0.12 -0.31 5.45 0.01 -0.76 -0.96 113.70 115.22 2jk4 s SER 47 Ca 0.24 -0.16 -0.00 0.00 1.31 0.00 0.00 55.95 57.34 2jk4 s SER 47 Cb -0.12 0.35 0.13 0.00 0.21 0.00 0.00 66.02 66.59 2jk4 s SER 47 CO 0.15 -0.58 0.28 -0.83 0.41 0.00 0.00 173.24 172.66 2jk4 s GLY 48 N -1.95 0.05 0.11 3.44 0.00 -0.98 -2.31 107.32 105.69 2jk4 s GLY 48 Ca -0.06 -0.67 -0.07 0.00 0.00 0.00 0.00 44.72 43.91 2jk4 s GLY 48 CO -0.02 2.53 0.39 -1.35 0.00 0.00 0.00 173.10 174.65 2jk4 s SER 49 N 2.06 6.56 -0.48 1.64 1.04 -0.32 -1.95 113.70 122.26 2jk4 s SER 49 Ca 0.11 0.70 0.07 0.00 0.48 0.00 0.00 55.95 57.31 2jk4 s SER 49 Cb -0.15 -2.14 0.23 0.00 0.10 0.00 0.00 66.02 64.06 2jk4 s SER 49 CO -0.26 0.10 0.55 0.00 0.98 0.00 0.00 173.24 174.61 2jk4 n ALA 50 N 0.48 2.98 -0.55 5.32 0.00 0.30 -1.26 120.51 127.78 2jk4 n ALA 50 Ca -0.05 -3.77 -0.28 0.00 0.00 0.00 0.00 53.44 49.33 2jk4 n ALA 50 Cb 0.52 -0.84 0.26 0.00 0.00 0.00 0.00 19.45 19.39 2jk4 n ALA 50 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2jk4 s ASN 51 N -1.32 0.75 -1.66 0.00 -0.87 -1.09 -2.36 114.94 108.40 2jk4 s ASN 51 Ca 0.35 1.43 -0.15 0.00 -1.57 0.00 0.00 52.86 52.92 2jk4 s ASN 51 Cb 0.13 -2.21 0.13 0.00 -0.02 0.00 0.00 41.25 39.27 2jk4 s ASN 51 CO -0.10 -4.33 0.67 0.35 -2.57 0.00 0.00 177.10 171.12 2jk4 n THR 52 N -4.99 -1.32 0.00 1.60 -2.24 -1.25 -3.31 114.28 102.76 2jk4 n THR 52 Ca 0.03 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2jk4 n THR 52 Cb 0.55 -1.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 2jk4 n THR 52 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jk4 n GLU 53 N -4.38 0.00 -0.07 -0.78 1.02 0.19 0.11 120.64 116.74 2jk4 n GLU 53 Ca -0.01 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.14 2jk4 n GLU 53 Cb 0.53 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.97 2jk4 n GLU 53 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2jk4 n THR 54 N 0.00 0.60 1.45 2.62 -2.24 -1.24 -4.58 114.28 110.89 2jk4 n THR 54 Ca 0.00 -0.64 0.02 0.00 -2.27 0.00 0.00 64.05 61.16 2jk4 n THR 54 Cb 0.00 0.61 0.06 0.00 -2.10 0.00 0.00 70.33 68.90 2jk4 n THR 54 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2jk4 n THR 55 N -0.36 0.22 0.00 4.28 -1.04 0.31 -4.80 114.28 112.89 2jk4 n THR 55 Ca 0.02 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 2jk4 n THR 55 Cb 0.45 0.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 2jk4 n THR 55 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2jk4 n LYS 56 N -0.08 0.00 -3.98 -2.82 0.00 -1.21 -4.89 118.16 105.18 2jk4 n LYS 56 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 58.31 58.01 2jk4 n LYS 56 Cb 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 35.04 2jk4 n LYS 56 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2jk4 s VAL 57 N -0.11 3.33 0.04 3.15 1.01 -1.26 -2.66 120.40 123.90 2jk4 s VAL 57 Ca 0.00 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.49 2jk4 s VAL 57 Cb 0.00 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 2jk4 s VAL 57 CO 0.00 0.43 -0.08 0.42 0.00 0.00 0.00 175.10 175.88 2jk4 s THR 58 N 1.38 0.53 -0.09 3.92 -4.23 -0.39 -5.02 115.64 111.74 2jk4 s THR 58 Ca 0.05 -0.96 0.02 0.00 -1.18 0.00 0.00 61.69 59.62 2jk4 s THR 58 Cb -0.14 -0.58 0.01 0.00 1.34 0.00 0.00 72.50 73.13 2jk4 s THR 58 CO -0.03 -0.31 -0.13 -0.83 -0.54 0.00 0.00 174.62 172.78 2jk4 s GLY 59 N -1.37 0.90 -0.19 3.99 0.00 -1.26 -1.17 107.32 108.23 2jk4 s GLY 59 Ca -0.08 -0.56 -0.02 0.00 0.00 0.00 0.00 44.72 44.06 2jk4 s GLY 59 CO 0.00 0.22 0.02 -0.56 0.00 0.00 0.00 173.10 172.78 2jk4 s SER 60 N 0.88 2.85 -0.09 1.64 0.01 -0.98 -3.75 113.70 114.26 2jk4 s SER 60 Ca -0.10 -0.78 0.03 0.00 1.31 0.00 0.00 55.95 56.41 2jk4 s SER 60 Cb -0.15 -0.63 0.01 0.00 0.21 0.00 0.00 66.02 65.46 2jk4 s SER 60 CO 0.01 -0.29 -0.19 -1.48 0.41 0.00 0.00 173.24 171.70 2jk4 s LEU 61 N 1.83 1.90 0.31 2.44 2.34 -1.26 -1.83 118.68 124.41 2jk4 s LEU 61 Ca -0.01 -0.46 0.08 0.00 0.06 0.00 0.00 54.13 53.80 2jk4 s LEU 61 Cb -0.17 -1.18 -0.06 0.00 -0.56 0.00 0.00 46.19 44.22 2jk4 s LEU 61 CO -0.08 0.09 -0.08 -1.83 -1.06 0.00 0.00 176.35 173.39 2jk4 s GLU 62 N 0.58 1.68 -0.00 1.48 -1.05 0.16 -3.94 118.70 117.61 2jk4 s GLU 62 Ca -0.15 -1.85 0.06 0.00 -0.15 0.00 0.00 54.97 52.88 2jk4 s GLU 62 Cb -0.17 -1.45 -0.02 0.00 -0.44 0.00 0.00 34.13 32.06 2jk4 s GLU 62 CO 0.05 0.10 -0.20 0.99 0.95 0.00 0.00 175.26 177.15 2jk4 s THR 63 N -2.80 1.61 -0.03 1.83 2.01 -0.66 -1.91 115.64 115.69 2jk4 s THR 63 Ca 0.31 -0.93 0.05 0.00 0.31 0.00 0.00 61.69 61.43 2jk4 s THR 63 Cb 0.03 -1.35 -0.01 0.00 0.01 0.00 0.00 72.50 71.18 2jk4 s THR 63 CO 0.14 0.41 -0.18 -0.54 -0.69 0.00 0.00 174.62 173.76 2jk4 s LYS 64 N -0.60 1.74 -0.04 4.92 1.02 -0.21 -1.05 119.74 125.50 2jk4 s LYS 64 Ca 0.08 -0.64 0.03 0.00 0.02 0.00 0.00 55.97 55.45 2jk4 s LYS 64 Cb -0.08 -1.56 0.01 0.00 -0.52 0.00 0.00 37.83 35.68 2jk4 s LYS 64 CO -0.00 0.30 -0.12 -0.47 -0.92 0.00 0.00 175.35 174.14 2jk4 s TYR 65 N -0.13 1.31 -0.20 3.18 5.04 0.13 -0.77 117.35 125.92 2jk4 s TYR 65 Ca -0.00 -0.40 -0.02 0.00 -2.44 0.00 0.00 57.07 54.21 2jk4 s TYR 65 Cb -0.10 -0.93 0.00 0.00 0.35 0.00 0.00 41.96 41.28 2jk4 s TYR 65 CO 0.01 -0.17 -0.10 0.50 -1.34 0.00 0.00 175.55 174.44 2jk4 s ARG 66 N 0.32 3.24 -0.24 4.97 3.52 -1.22 -0.50 118.95 129.05 2jk4 s ARG 66 Ca -0.07 -0.70 -0.03 0.00 -0.13 0.00 0.00 55.73 54.80 2jk4 s ARG 66 Cb -0.12 -2.83 0.01 0.00 -1.56 0.00 0.00 34.95 30.45 2jk4 s ARG 66 CO 0.02 -0.17 -0.05 -0.46 -0.81 0.00 0.00 175.30 173.83 2jk4 s TRP 67 N 1.33 3.01 0.41 5.12 -0.00 -0.62 -4.86 118.94 123.32 2jk4 s TRP 67 Ca 0.04 -1.28 0.00 0.00 -0.00 0.00 0.00 56.10 54.86 2jk4 s TRP 67 Cb -0.14 -2.09 0.00 0.00 -0.00 0.00 0.00 33.47 31.24 2jk4 s TRP 67 CO -0.06 -0.65 0.00 2.41 -0.00 0.00 0.00 176.95 178.65 2jk4 n THR 68 N 4.73 -2.71 0.18 5.86 -1.04 -1.26 -1.16 114.28 118.89 2jk4 n THR 68 Ca -0.17 1.30 0.04 0.00 -2.04 0.00 0.00 64.05 63.17 2jk4 n THR 68 Cb 0.49 -1.97 0.44 0.00 -1.82 0.00 0.00 70.33 67.47 2jk4 n THR 68 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2jk4 h GLU 69 N 0.63 0.08 0.00 -2.82 4.39 -1.95 -3.05 114.58 111.85 2jk4 h GLU 69 Ca 0.00 -0.02 -0.20 0.00 0.34 0.00 0.00 59.36 59.48 2jk4 h GLU 69 Cb 0.43 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.04 2jk4 h GLU 69 CO 0.00 0.28 -1.98 2.48 -1.16 0.00 0.00 179.01 178.63 2jk4 n TYR 70 N -4.27 0.00 0.00 4.33 0.18 -1.26 -4.94 117.16 111.20 2jk4 n TYR 70 Ca -0.02 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.76 2jk4 n TYR 70 Cb 0.28 -0.66 0.00 0.00 -0.38 0.00 0.00 39.34 38.58 2jk4 n TYR 70 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2jk4 n GLY 71 N 1.91 -1.79 0.00 -7.48 0.00 -1.15 -4.73 105.19 91.95 2jk4 n GLY 71 Ca -0.19 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2jk4 n GLY 71 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2jk4 n LEU 72 N 0.00 0.00 -3.58 0.99 -0.00 -0.31 -4.35 117.00 109.75 2jk4 n LEU 72 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2jk4 n LEU 72 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 2jk4 n LEU 72 CO 0.00 0.00 0.32 0.42 -0.00 0.00 0.00 177.39 178.13 2jk4 s THR 73 N 0.06 -0.91 -0.19 1.47 -4.23 -1.23 -1.58 115.64 109.02 2jk4 s THR 73 Ca 0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.45 2jk4 s THR 73 Cb 0.00 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.81 2jk4 s THR 73 CO 0.00 0.00 0.03 -0.36 -0.54 0.00 0.00 174.62 173.75 2jk4 s PHE 74 N 2.82 3.14 -0.39 3.99 0.40 0.35 -1.85 117.98 126.43 2jk4 s PHE 74 Ca -0.04 -0.17 -0.03 0.00 -0.60 0.00 0.00 56.93 56.09 2jk4 s PHE 74 Cb -0.11 -2.08 0.10 0.00 0.51 0.00 0.00 43.02 41.44 2jk4 s PHE 74 CO -0.19 -0.04 0.17 0.99 0.70 0.00 0.00 175.22 176.86 2jk4 s THR 75 N 0.67 3.27 -1.11 0.64 2.01 -0.71 0.21 115.64 120.62 2jk4 s THR 75 Ca 0.01 -1.91 -0.12 0.00 0.31 0.00 0.00 61.69 59.98 2jk4 s THR 75 Cb -0.14 -3.17 0.21 0.00 0.01 0.00 0.00 72.50 69.41 2jk4 s THR 75 CO 0.02 -0.58 1.23 -1.61 -0.69 0.00 0.00 174.62 172.98 2jk4 s GLU 76 N 1.17 4.05 -1.27 4.92 8.01 -0.22 -1.72 118.70 133.64 2jk4 s GLU 76 Ca 0.06 -2.75 -0.16 0.00 0.01 0.00 0.00 54.97 52.13 2jk4 s GLU 76 Cb -0.22 -4.80 0.11 0.00 -4.31 0.00 0.00 34.13 24.90 2jk4 s GLU 76 CO -0.03 -1.52 1.64 1.63 0.01 0.00 0.00 175.26 176.98 2jk4 n LYS 77 N 4.44 3.26 0.00 1.61 5.02 -1.21 -1.66 118.16 129.62 2jk4 n LYS 77 Ca 0.29 -3.47 0.00 0.00 -2.02 0.00 0.00 58.31 53.10 2jk4 n LYS 77 Cb 0.42 -3.34 0.00 0.00 -0.02 0.00 0.00 35.03 32.09 2jk4 n LYS 77 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2jk4 n TRP 78 N 7.42 -0.20 -3.93 2.13 8.01 -1.25 -3.98 117.44 125.63 2jk4 n TRP 78 Ca 0.45 0.00 0.01 0.00 -1.31 0.00 0.00 57.50 56.64 2jk4 n TRP 78 Cb 0.45 0.00 0.01 0.00 -2.01 0.00 0.00 31.31 29.76 2jk4 n TRP 78 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 2jk4 n ASN 79 N 0.00 -1.15 -3.50 -0.99 4.13 -1.22 -4.65 115.26 107.88 2jk4 n ASN 79 Ca 0.00 -1.39 -0.28 0.00 1.68 0.00 0.00 54.58 54.59 2jk4 n ASN 79 Cb 0.00 1.82 -0.11 0.00 -1.54 0.00 0.00 39.78 39.95 2jk4 n ASN 79 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2jk4 s THR 80 N -2.07 0.80 0.00 3.41 -4.23 -1.25 -4.88 115.64 107.42 2jk4 s THR 80 Ca 0.23 -2.82 0.00 0.00 -1.18 0.00 0.00 61.69 57.92 2jk4 s THR 80 Cb -0.01 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.28 2jk4 s THR 80 CO 0.01 -1.16 0.00 0.47 -0.54 0.00 0.00 174.62 173.41 2jk4 n ASP 81 N 2.85 0.00 0.00 3.99 8.00 -1.26 -4.62 116.55 125.52 2jk4 n ASP 81 Ca 0.25 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.75 2jk4 n ASP 81 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 2jk4 n ASP 81 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2jk4 n ASN 82 N 0.00 0.00 0.00 -2.24 4.05 -1.26 -5.05 115.26 110.76 2jk4 n ASN 82 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2jk4 n ASN 82 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 2jk4 n ASN 82 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 177.26 175.28 2jk4 n THR 83 N 0.00 0.00 -3.10 -0.44 5.66 -1.26 -4.81 114.28 110.32 2jk4 n THR 83 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2jk4 n THR 83 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2jk4 n THR 83 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2jk4 n LEU 84 N 0.00 0.00 0.00 1.09 4.32 -1.26 -3.44 117.00 117.71 2jk4 n LEU 84 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2jk4 n LEU 84 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2jk4 n LEU 84 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 2jk4 n GLY 85 N 0.00 -0.48 3.50 -0.72 0.00 -1.26 -3.28 105.19 102.95 2jk4 n GLY 85 Ca 0.00 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 2jk4 n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jk4 s THR 86 N -1.80 0.00 -0.01 2.61 -4.23 -1.26 -3.34 115.64 107.62 2jk4 s THR 86 Ca 0.00 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 2jk4 s THR 86 Cb 0.00 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.35 2jk4 s THR 86 CO 0.00 0.00 0.00 -1.61 -0.54 0.00 0.00 174.62 172.47 2jk4 s GLU 87 N -3.44 0.06 -0.27 3.99 2.02 -0.70 -1.54 118.70 118.82 2jk4 s GLU 87 Ca 0.28 0.05 0.02 0.00 0.02 0.00 0.00 54.97 55.34 2jk4 s GLU 87 Cb 0.00 -0.17 0.07 0.00 0.10 0.00 0.00 34.13 34.13 2jk4 s GLU 87 CO 0.16 -0.06 -0.04 0.42 0.02 0.00 0.00 175.26 175.76 2jk4 s ILE 88 N 0.44 1.80 -0.09 -1.63 1.01 -0.46 -1.73 121.20 120.55 2jk4 s ILE 88 Ca -0.04 -1.57 -0.20 0.00 0.00 0.00 0.00 60.65 58.84 2jk4 s ILE 88 Cb -0.06 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 2jk4 s ILE 88 CO -0.01 -0.22 0.57 -0.89 0.00 0.00 0.00 174.94 174.38 2jk4 s THR 89 N 1.24 5.11 -0.21 2.92 2.01 -0.77 -0.34 115.64 125.59 2jk4 s THR 89 Ca -0.02 1.16 -0.03 0.00 0.31 0.00 0.00 61.69 63.10 2jk4 s THR 89 Cb -0.19 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 2jk4 s THR 89 CO -0.08 0.31 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.41 2jk4 s VAL 90 N 0.57 3.21 -0.02 3.82 1.01 1.07 -3.57 120.40 126.49 2jk4 s VAL 90 Ca 0.31 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.80 2jk4 s VAL 90 Cb -0.16 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 2jk4 s VAL 90 CO 0.14 0.45 -0.22 -1.83 0.00 0.00 0.00 175.10 173.63 2jk4 s GLU 91 N 1.34 1.83 0.01 2.72 1.03 -1.26 -0.80 118.70 123.57 2jk4 s GLU 91 Ca 0.04 -0.80 -0.16 0.00 0.03 0.00 0.00 54.97 54.08 2jk4 s GLU 91 Cb -0.14 -1.76 -0.35 0.00 -0.80 0.00 0.00 34.13 31.08 2jk4 s GLU 91 CO -0.03 0.48 0.95 0.22 -1.33 0.00 0.00 175.26 175.54 2jk4 h ASP 92 N 5.60 0.77 0.00 0.83 -0.00 -1.75 -3.48 116.42 118.40 2jk4 h ASP 92 Ca -0.40 -0.93 0.00 0.00 -0.00 0.00 0.00 57.03 55.70 2jk4 h ASP 92 Cb 1.13 -0.25 0.00 0.00 -0.00 0.00 0.00 39.33 40.21 2jk4 h ASP 92 CO 0.48 1.68 0.00 1.67 -0.00 0.00 0.00 179.24 183.06 2jk4 n GLN 93 N -3.77 -1.51 -0.10 0.28 0.00 -1.26 -5.00 117.38 106.02 2jk4 n GLN 93 Ca -0.17 0.00 0.15 0.00 -0.00 0.00 0.00 57.00 56.98 2jk4 n GLN 93 Cb 1.06 0.00 0.54 0.00 0.00 0.00 0.00 30.24 31.84 2jk4 n GLN 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2jk4 h LEU 94 N 0.00 0.30 -5.06 1.69 6.46 -1.95 -3.05 115.31 113.70 2jk4 h LEU 94 Ca 0.00 0.01 -0.32 0.00 -0.12 0.00 0.00 57.88 57.46 2jk4 h LEU 94 Cb 0.00 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 39.88 2jk4 h LEU 94 CO 0.00 0.17 1.85 0.00 -0.62 0.00 0.00 178.44 179.84 2jk4 n ALA 95 N -2.54 4.82 -0.06 1.25 0.00 -1.26 -4.86 120.51 117.85 2jk4 n ALA 95 Ca 0.12 -1.83 0.00 0.00 0.00 0.00 0.00 53.44 51.72 2jk4 n ALA 95 Cb 0.49 -2.80 0.00 0.00 0.00 0.00 0.00 19.45 17.14 2jk4 n ALA 95 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2jk4 n ARG 96 N 3.66 0.00 0.00 0.00 1.85 -1.15 -4.84 116.66 116.17 2jk4 n ARG 96 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.26 2jk4 n ARG 96 Cb 0.28 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.69 2jk4 n ARG 96 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2jk4 n GLY 97 N 0.00 2.48 3.83 2.89 0.00 -1.26 -4.42 105.19 108.70 2jk4 n GLY 97 Ca 0.00 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 2jk4 n GLY 97 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jk4 s LEU 98 N 0.00 4.14 -0.28 0.99 2.34 -1.26 -2.55 118.68 122.06 2jk4 s LEU 98 Ca 0.00 0.34 -0.01 0.00 0.06 0.00 0.00 54.13 54.52 2jk4 s LEU 98 Cb 0.00 -2.11 0.09 0.00 -0.56 0.00 0.00 46.19 43.61 2jk4 s LEU 98 CO 0.00 0.36 0.07 -0.54 -1.06 0.00 0.00 176.35 175.18 2jk4 s LYS 99 N -1.21 0.84 0.20 1.48 1.02 0.23 -3.04 119.74 119.26 2jk4 s LYS 99 Ca 0.17 -1.00 -0.14 0.00 0.02 0.00 0.00 55.97 55.02 2jk4 s LYS 99 Cb -0.12 -2.14 -0.07 0.00 -0.52 0.00 0.00 37.83 34.98 2jk4 s LYS 99 CO 0.07 -0.89 0.60 -1.17 -0.92 0.00 0.00 175.35 173.04 2jk4 s LEU 100 N 1.59 4.27 0.02 3.17 2.96 0.02 -3.62 118.68 127.09 2jk4 s LEU 100 Ca 0.06 1.12 0.02 0.00 -0.22 0.00 0.00 54.13 55.11 2jk4 s LEU 100 Cb -0.17 -3.50 -0.01 0.00 0.50 0.00 0.00 46.19 43.00 2jk4 s LEU 100 CO -0.19 0.02 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.90 2jk4 s THR 101 N -1.61 0.42 -0.10 3.68 2.01 0.11 0.35 115.64 120.49 2jk4 s THR 101 Ca 0.43 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.79 2jk4 s THR 101 Cb -0.14 -0.44 -0.01 0.00 0.01 0.00 0.00 72.50 71.92 2jk4 s THR 101 CO 0.20 -0.17 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.43 2jk4 s PHE 102 N -0.80 2.69 -0.21 4.92 0.40 0.54 -0.68 117.98 124.84 2jk4 s PHE 102 Ca -0.05 -0.64 -0.05 0.00 -0.60 0.00 0.00 56.93 55.59 2jk4 s PHE 102 Cb -0.06 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.71 2jk4 s PHE 102 CO 0.00 -0.18 -0.00 -0.51 0.70 0.00 0.00 175.22 175.23 2jk4 s ASP 103 N 0.08 4.71 -0.19 1.36 1.01 0.14 -1.35 116.67 122.44 2jk4 s ASP 103 Ca -0.07 -0.26 0.13 0.00 0.71 0.00 0.00 52.55 53.06 2jk4 s ASP 103 Cb -0.15 -1.81 0.71 0.00 1.01 0.00 0.00 42.92 42.68 2jk4 s ASP 103 CO 0.05 0.03 1.59 -1.20 0.21 0.00 0.00 175.17 175.85 2jk4 n SER 104 N 4.49 5.01 -4.62 0.27 7.64 -0.59 -1.80 113.62 124.03 2jk4 n SER 104 Ca -0.17 -2.73 -0.53 0.00 1.01 0.00 0.00 58.87 56.45 2jk4 n SER 104 Cb 0.51 -0.64 -0.06 0.00 -1.01 0.00 0.00 64.21 63.01 2jk4 n SER 104 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2jk4 n SER 105 N 0.66 1.86 -2.49 6.43 2.88 -1.26 -4.12 113.62 117.59 2jk4 n SER 105 Ca 0.24 1.11 -0.12 0.00 -1.33 0.00 0.00 58.87 58.77 2jk4 n SER 105 Cb 1.03 -1.19 -0.04 0.00 -0.75 0.00 0.00 64.21 63.26 2jk4 n SER 105 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2jk4 n PHE 106 N 3.14 -0.81 -4.02 0.66 1.16 -1.21 -0.79 117.46 115.59 2jk4 n PHE 106 Ca 0.20 -1.83 -0.33 0.00 -1.87 0.00 0.00 57.45 53.62 2jk4 n PHE 106 Cb 0.18 0.28 -0.15 0.00 -1.61 0.00 0.00 39.48 38.19 2jk4 n PHE 106 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 2jk4 s SER 107 N -2.59 4.59 0.00 5.98 1.04 -1.26 -4.54 113.70 116.92 2jk4 s SER 107 Ca 0.25 -1.43 0.00 0.00 0.48 0.00 0.00 55.95 55.25 2jk4 s SER 107 Cb 0.00 -1.60 0.00 0.00 0.10 0.00 0.00 66.02 64.53 2jk4 s SER 107 CO 0.18 -0.23 0.00 -0.81 0.98 0.00 0.00 173.24 173.36 2jk4 n PRO 108 N 4.47 0.00 -4.29 4.02 -0.04 -1.26 -4.38 135.00 133.52 2jk4 n PRO 108 Ca -0.12 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.11 2jk4 n PRO 108 Cb 0.42 -0.16 -0.07 0.00 -0.04 0.00 0.00 33.50 33.65 2jk4 n PRO 108 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2jk4 s ASN 109 N -2.58 4.57 -0.56 3.54 -0.87 -1.26 -4.60 114.94 113.18 2jk4 s ASN 109 Ca 0.00 -0.63 0.00 0.00 -1.57 0.00 0.00 52.86 50.66 2jk4 s ASN 109 Cb 0.00 -0.86 0.00 0.00 -0.02 0.00 0.00 41.25 40.37 2jk4 s ASN 109 CO 0.00 0.01 0.00 1.07 -2.57 0.00 0.00 177.10 175.61 2jk4 n THR 110 N -0.86 0.00 -4.56 1.60 5.66 -1.26 -4.87 114.28 110.00 2jk4 n THR 110 Ca -0.07 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.67 2jk4 n THR 110 Cb 0.59 -0.52 -0.11 0.00 -1.55 0.00 0.00 70.33 68.74 2jk4 n THR 110 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2jk4 s GLY 111 N -1.40 2.26 -0.69 1.09 0.00 -1.26 -5.09 107.32 102.23 2jk4 s GLY 111 Ca 0.00 -2.14 -0.20 0.00 0.00 0.00 0.00 44.72 42.38 2jk4 s GLY 111 CO 0.00 -2.04 0.88 0.54 0.00 0.00 0.00 173.10 172.48 2jk4 s LYS 112 N -3.65 3.19 -0.17 2.90 1.02 -1.26 -4.79 119.74 116.98 2jk4 s LYS 112 Ca 0.33 -1.28 -0.30 0.00 0.02 0.00 0.00 55.97 54.74 2jk4 s LYS 112 Cb 0.05 -4.38 -0.08 0.00 -0.52 0.00 0.00 37.83 32.90 2jk4 s LYS 112 CO 0.17 -1.67 2.12 1.17 -0.92 0.00 0.00 175.35 176.22 2jk4 n LYS 113 N 6.75 2.05 -3.42 1.68 4.81 -1.26 -4.18 118.16 124.58 2jk4 n LYS 113 Ca -0.00 0.64 -0.06 0.00 -0.87 0.00 0.00 58.31 58.02 2jk4 n LYS 113 Cb 0.45 -3.00 -0.07 0.00 0.02 0.00 0.00 35.03 32.43 2jk4 n LYS 113 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2jk4 s ASN 114 N 6.84 -0.34 0.00 3.14 4.22 -1.25 -4.13 114.94 123.41 2jk4 s ASN 114 Ca 0.99 0.69 0.00 0.00 -2.14 0.00 0.00 52.86 52.40 2jk4 s ASN 114 Cb -0.48 1.49 0.00 0.00 1.28 0.00 0.00 41.25 43.54 2jk4 s ASN 114 CO 0.41 -0.27 0.00 0.00 -2.04 0.00 0.00 177.10 175.20 2jk4 n ALA 115 N 5.39 0.00 0.00 3.54 0.00 0.03 -4.07 120.51 125.40 2jk4 n ALA 115 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2jk4 n ALA 115 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2jk4 n ALA 115 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2jk4 n LYS 116 N 0.00 0.00 -4.04 0.00 2.85 -0.74 -3.26 118.16 112.97 2jk4 n LYS 116 Ca 0.00 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.94 2jk4 n LYS 116 Cb 0.00 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.23 2jk4 n LYS 116 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2jk4 s ILE 117 N -2.00 2.32 -0.38 0.58 1.01 0.72 0.28 121.20 123.73 2jk4 s ILE 117 Ca 0.00 -1.68 -0.20 0.00 0.00 0.00 0.00 60.65 58.77 2jk4 s ILE 117 Cb 0.00 -2.40 0.01 0.00 0.01 0.00 0.00 42.46 40.08 2jk4 s ILE 117 CO 0.00 -0.11 0.62 -0.54 0.00 0.00 0.00 174.94 174.91 2jk4 s LYS 118 N 1.10 3.56 0.06 2.79 -0.14 0.14 -0.60 119.74 126.65 2jk4 s LYS 118 Ca -0.06 -0.09 0.01 0.00 -1.36 0.00 0.00 55.97 54.46 2jk4 s LYS 118 Cb -0.20 -3.85 0.01 0.00 -1.68 0.00 0.00 37.83 32.11 2jk4 s LYS 118 CO -0.05 -0.80 0.08 2.41 -0.76 0.00 0.00 175.35 176.23 2jk4 n THR 119 N 5.64 0.00 0.00 2.17 -1.04 -1.26 0.04 114.28 119.84 2jk4 n THR 119 Ca -0.02 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2jk4 n THR 119 Cb 0.48 -1.10 0.00 0.00 -1.82 0.00 0.00 70.33 67.89 2jk4 n THR 119 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jk4 n GLY 120 N 4.34 2.82 3.08 3.41 0.00 -1.24 -3.76 105.19 113.85 2jk4 n GLY 120 Ca 0.01 0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 2jk4 n GLY 120 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jk4 s TYR 121 N 0.00 1.66 0.31 1.61 6.04 -0.85 -0.60 117.35 125.52 2jk4 s TYR 121 Ca 0.00 -0.58 0.04 0.00 0.04 0.00 0.00 57.07 56.57 2jk4 s TYR 121 Cb 0.00 -1.17 -0.06 0.00 -1.04 0.00 0.00 41.96 39.69 2jk4 s TYR 121 CO 0.00 -0.26 0.05 -1.59 -1.54 0.00 0.00 175.55 172.21 2jk4 s LYS 122 N 0.42 1.61 0.00 4.97 -2.85 -1.06 -2.05 119.74 120.78 2jk4 s LYS 122 Ca -0.12 -1.88 0.00 0.00 -1.00 0.00 0.00 55.97 52.97 2jk4 s LYS 122 Cb -0.15 -0.85 0.00 0.00 -2.06 0.00 0.00 37.83 34.77 2jk4 s LYS 122 CO 0.04 -0.17 0.00 0.54 0.10 0.00 0.00 175.35 175.86 2jk4 n ARG 123 N -0.65 0.00 0.00 1.78 1.74 -1.14 -4.28 116.66 114.11 2jk4 n ARG 123 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2jk4 n ARG 123 Cb 0.66 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.10 2jk4 n ARG 123 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2jk4 n GLU 124 N 0.00 0.00 -2.60 5.56 1.02 -1.26 -4.10 120.64 119.26 2jk4 n GLU 124 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 2jk4 n GLU 124 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 2jk4 n GLU 124 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2jk4 n HIS 125 N 0.00 2.58 0.00 -0.32 8.25 -1.24 -3.94 115.22 120.55 2jk4 n HIS 125 Ca 0.00 -2.68 0.00 0.00 -0.26 0.00 0.00 57.72 54.78 2jk4 n HIS 125 Cb 0.00 -1.58 0.00 0.00 1.12 0.00 0.00 29.99 29.53 2jk4 n HIS 125 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 2jk4 n ILE 126 N 2.02 0.00 0.00 1.59 3.06 -1.25 0.78 119.36 125.56 2jk4 n ILE 126 Ca 0.37 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.62 2jk4 n ILE 126 Cb 0.33 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.51 2jk4 n ILE 126 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 2jk4 n ASN 127 N 0.00 0.00 -4.22 9.51 6.94 -1.19 -2.90 115.26 123.40 2jk4 n ASN 127 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 54.58 54.28 2jk4 n ASN 127 Cb 0.00 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.26 2jk4 n ASN 127 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2jk4 s LEU 128 N 0.00 2.03 0.09 -4.53 1.43 -0.87 -3.28 118.68 113.55 2jk4 s LEU 128 Ca 0.00 -0.39 -0.06 0.00 -1.03 0.00 0.00 54.13 52.65 2jk4 s LEU 128 Cb 0.00 -1.09 -0.05 0.00 0.03 0.00 0.00 46.19 45.07 2jk4 s LEU 128 CO 0.00 0.24 0.35 -0.83 0.23 0.00 0.00 176.35 176.35 2jk4 s GLY 129 N -0.39 2.27 -0.22 -3.19 0.00 -1.20 -2.01 107.32 102.57 2jk4 s GLY 129 Ca 0.05 -0.52 0.12 0.00 0.00 0.00 0.00 44.72 44.38 2jk4 s GLY 129 CO -0.00 -0.38 1.31 0.00 0.00 0.00 0.00 173.10 174.03 2jk4 n ASP 131 N -1.12 1.34 -4.25 0.00 8.00 -1.25 -4.02 116.55 115.25 2jk4 n ASP 131 Ca 0.23 0.78 -0.33 0.00 0.71 0.00 0.00 54.79 56.18 2jk4 n ASP 131 Cb 0.82 -1.00 -0.15 0.00 -0.02 0.00 0.00 41.12 40.77 2jk4 n ASP 131 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2jk4 s MET 132 N 5.11 3.21 -0.54 -1.24 -1.94 0.23 0.17 119.30 124.29 2jk4 s MET 132 Ca 1.12 -0.74 -0.09 0.00 -1.71 0.00 0.00 55.69 54.27 2jk4 s MET 132 Cb -1.32 -2.69 0.14 0.00 2.01 0.00 0.00 34.83 32.97 2jk4 s MET 132 CO 0.66 -0.07 0.43 0.34 -0.01 0.00 0.00 175.02 176.37 2jk4 s ASP 133 N 1.03 5.82 -1.29 3.03 2.15 0.62 -0.20 116.67 127.83 2jk4 s ASP 133 Ca -0.01 -2.13 -0.09 0.00 0.43 0.00 0.00 52.55 50.74 2jk4 s ASP 133 Cb -0.15 -2.03 0.16 0.00 -0.30 0.00 0.00 42.92 40.60 2jk4 s ASP 133 CO -0.03 -0.65 1.92 0.49 -0.17 0.00 0.00 175.17 176.73 2jk4 n PHE 134 N 4.62 2.92 -2.12 -5.34 3.72 -1.20 0.14 117.46 120.19 2jk4 n PHE 134 Ca -0.03 -2.79 -0.20 0.00 -0.05 0.00 0.00 57.45 54.38 2jk4 n PHE 134 Cb 0.41 -1.96 0.12 0.00 -0.94 0.00 0.00 39.48 37.11 2jk4 n PHE 134 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2jk4 n ASP 135 N 3.82 0.57 -4.61 4.37 3.85 -1.26 -4.10 116.55 119.19 2jk4 n ASP 135 Ca 0.41 -1.62 -0.43 0.00 -0.71 0.00 0.00 54.79 52.44 2jk4 n ASP 135 Cb 0.36 -0.63 -0.00 0.00 -1.35 0.00 0.00 41.12 39.50 2jk4 n ASP 135 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 2jk4 n ILE 136 N -2.93 2.19 0.00 2.12 5.41 -1.26 -4.03 119.36 120.86 2jk4 n ILE 136 Ca 0.13 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.38 2jk4 n ILE 136 Cb 0.44 -1.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.23 2jk4 n ILE 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jk4 n ALA 137 N -0.13 0.00 -2.91 -1.39 0.00 -1.26 -4.49 120.51 110.33 2jk4 n ALA 137 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.16 2jk4 n ALA 137 Cb 0.36 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.69 2jk4 n ALA 137 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2jk4 s GLY 138 N 0.00 1.82 0.59 0.00 0.00 -1.26 -5.01 107.32 103.46 2jk4 s GLY 138 Ca 0.00 -1.14 -0.16 0.00 0.00 0.00 0.00 44.72 43.42 2jk4 s GLY 138 CO 0.00 0.58 1.06 2.56 0.00 0.00 0.00 173.10 177.30 2jk4 s PRO 139 N 1.66 3.32 0.02 2.90 0.04 -1.26 -4.52 135.00 137.17 2jk4 s PRO 139 Ca 0.06 1.23 0.06 0.00 0.04 0.00 0.00 61.00 62.40 2jk4 s PRO 139 Cb -0.16 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 2jk4 s PRO 139 CO 0.06 -0.81 -0.15 0.45 0.04 0.00 0.00 177.00 176.59 2jk4 s SER 140 N -2.70 3.99 -0.17 6.66 0.15 0.37 -2.53 113.70 119.48 2jk4 s SER 140 Ca 0.64 -0.34 0.01 0.00 0.70 0.00 0.00 55.95 56.96 2jk4 s SER 140 Cb -0.16 -0.74 0.02 0.00 -1.71 0.00 0.00 66.02 63.43 2jk4 s SER 140 CO 0.36 0.27 -0.18 -0.63 1.20 0.00 0.00 173.24 174.26 2jk4 s ILE 141 N -0.91 1.88 0.26 6.45 -1.09 0.44 -0.28 121.20 127.96 2jk4 s ILE 141 Ca 0.15 -0.83 0.06 0.00 -2.23 0.00 0.00 60.65 57.79 2jk4 s ILE 141 Cb -0.11 -1.72 -0.03 0.00 -1.58 0.00 0.00 42.46 39.02 2jk4 s ILE 141 CO 0.05 0.51 0.32 -0.13 -1.23 0.00 0.00 174.94 174.46 2jk4 s ARG 142 N 1.36 3.19 0.31 2.79 0.52 0.13 0.15 118.95 127.40 2jk4 s ARG 142 Ca 0.05 -0.92 -0.13 0.00 -0.52 0.00 0.00 55.73 54.21 2jk4 s ARG 142 Cb -0.13 -2.75 0.02 0.00 0.52 0.00 0.00 34.95 32.61 2jk4 s ARG 142 CO -0.12 0.35 0.61 0.20 0.02 0.00 0.00 175.30 176.36 2jk4 s GLY 143 N -3.97 0.56 -0.30 -3.53 0.00 -0.75 -3.84 107.32 95.50 2jk4 s GLY 143 Ca 0.36 -0.86 -0.16 0.00 0.00 0.00 0.00 44.72 44.05 2jk4 s GLY 143 CO 0.28 -0.51 1.09 0.00 0.00 0.00 0.00 173.10 173.96 2jk4 s ALA 144 N -3.33 -2.61 -0.74 3.20 0.00 -1.21 -3.55 121.76 113.53 2jk4 s ALA 144 Ca 0.20 2.06 0.03 0.00 0.00 0.00 0.00 51.96 54.25 2jk4 s ALA 144 Cb -0.03 -1.94 0.31 0.00 0.00 0.00 0.00 23.12 21.47 2jk4 s ALA 144 CO 0.12 -0.56 1.14 1.28 0.00 0.00 0.00 175.76 177.74 2jk4 n LEU 145 N 3.96 5.13 -4.75 0.00 4.77 0.34 -3.23 117.00 123.21 2jk4 n LEU 145 Ca -0.14 -5.53 -0.41 0.00 -0.03 0.00 0.00 56.01 49.90 2jk4 n LEU 145 Cb 0.56 -0.78 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 2jk4 n LEU 145 CO 0.01 2.16 0.99 -0.69 -1.33 0.00 0.00 177.39 178.53 2jk4 s VAL 146 N -3.83 2.97 -0.08 4.08 1.01 -1.21 -3.52 120.40 119.83 2jk4 s VAL 146 Ca 0.43 0.87 0.05 0.00 0.00 0.00 0.00 61.98 63.33 2jk4 s VAL 146 Cb 0.21 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 33.03 2jk4 s VAL 146 CO -0.08 0.16 -0.23 -0.76 0.00 0.00 0.00 175.10 174.19 2jk4 s LEU 147 N -0.82 2.04 0.42 3.92 1.43 -0.46 -3.18 118.68 122.03 2jk4 s LEU 147 Ca 0.54 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 2jk4 s LEU 147 Cb -0.38 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 2jk4 s LEU 147 CO 0.44 0.19 0.67 -0.83 0.23 0.00 0.00 176.35 177.05 2jk4 s GLY 148 N 0.13 1.44 -0.26 -3.19 0.00 0.23 -2.88 107.32 102.79 2jk4 s GLY 148 Ca -0.11 -0.77 -0.28 0.00 0.00 0.00 0.00 44.72 43.55 2jk4 s GLY 148 CO 0.06 -0.65 1.28 -0.47 0.00 0.00 0.00 173.10 173.32 2jk4 s TYR 149 N -2.54 -0.13 -0.82 1.90 5.04 -0.72 -4.82 117.35 115.25 2jk4 s TYR 149 Ca 0.44 0.25 -0.23 0.00 -2.44 0.00 0.00 57.07 55.10 2jk4 s TYR 149 Cb -0.10 0.48 -0.19 0.00 0.35 0.00 0.00 41.96 42.49 2jk4 s TYR 149 CO 0.40 -0.11 2.41 0.39 -1.34 0.00 0.00 175.55 177.30 2jk4 n GLU 150 N 0.83 0.40 -1.62 4.97 1.02 -1.26 -0.53 120.64 124.46 2jk4 n GLU 150 Ca -0.05 -0.25 -0.18 0.00 -0.02 0.00 0.00 57.16 56.66 2jk4 n GLU 150 Cb 0.58 -2.46 -0.07 0.00 -0.02 0.00 0.00 31.44 29.48 2jk4 n GLU 150 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jk4 n GLY 151 N 6.21 1.54 3.04 0.62 0.00 -1.26 -4.97 105.19 110.37 2jk4 n GLY 151 Ca 0.54 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 2jk4 n GLY 151 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2jk4 s TRP 152 N -2.70 0.60 -0.16 1.61 -0.00 0.31 -4.22 118.94 114.39 2jk4 s TRP 152 Ca 0.00 -0.44 -0.21 0.00 -0.00 0.00 0.00 56.10 55.45 2jk4 s TRP 152 Cb 0.00 -0.37 0.05 0.00 -0.00 0.00 0.00 33.47 33.16 2jk4 s TRP 152 CO 0.00 -0.08 0.56 -0.51 -0.00 0.00 0.00 176.95 176.92 2jk4 s LEU 153 N -1.35 -0.14 -0.05 5.86 1.43 -1.11 -1.76 118.68 121.55 2jk4 s LEU 153 Ca -0.09 0.93 -0.02 0.00 -1.03 0.00 0.00 54.13 53.92 2jk4 s LEU 153 Cb -0.09 1.98 0.04 0.00 0.03 0.00 0.00 46.19 48.15 2jk4 s LEU 153 CO 0.00 -0.31 0.10 0.00 0.23 0.00 0.00 176.35 176.37 2jk4 s ALA 154 N -0.19 -0.01 0.28 4.21 0.00 -1.14 -1.29 121.76 123.62 2jk4 s ALA 154 Ca -0.04 0.42 0.08 0.00 0.00 0.00 0.00 51.96 52.42 2jk4 s ALA 154 Cb -0.03 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 2jk4 s ALA 154 CO 0.03 -0.37 0.17 0.20 0.00 0.00 0.00 175.76 175.79 2jk4 s GLY 155 N 1.78 1.61 -0.23 0.00 0.00 0.42 -1.35 107.32 109.54 2jk4 s GLY 155 Ca -0.01 -1.57 -0.10 0.00 0.00 0.00 0.00 44.72 43.04 2jk4 s GLY 155 CO -0.04 -1.58 0.52 -0.19 0.00 0.00 0.00 173.10 171.81 2jk4 s TYR 156 N -2.25 -0.94 -0.07 1.90 1.51 -1.23 -2.66 117.35 113.62 2jk4 s TYR 156 Ca 0.35 1.77 0.05 0.00 -1.01 0.00 0.00 57.07 58.23 2jk4 s TYR 156 Cb -0.06 0.47 -0.00 0.00 -0.11 0.00 0.00 41.96 42.26 2jk4 s TYR 156 CO 0.24 -0.51 -0.22 -0.65 -1.11 0.00 0.00 175.55 173.30 2jk4 s GLN 157 N 2.28 2.48 -0.08 -0.62 1.11 0.13 0.13 119.66 125.08 2jk4 s GLN 157 Ca -0.06 -0.80 0.03 0.00 0.01 0.00 0.00 55.36 54.54 2jk4 s GLN 157 Cb -0.10 -2.03 0.01 0.00 -1.01 0.00 0.00 33.01 29.88 2jk4 s GLN 157 CO -0.15 0.27 -0.17 -1.64 0.01 0.00 0.00 175.29 173.60 2jk4 s MET 158 N 0.09 2.31 -0.26 2.91 -1.94 -1.23 -1.39 119.30 119.79 2jk4 s MET 158 Ca -0.09 -0.62 0.02 0.00 -1.71 0.00 0.00 55.69 53.29 2jk4 s MET 158 Cb -0.15 -1.81 0.06 0.00 2.01 0.00 0.00 34.83 34.93 2jk4 s MET 158 CO 0.05 0.09 -0.11 1.21 -0.01 0.00 0.00 175.02 176.25 2jk4 s ASN 159 N 0.53 4.37 -0.03 3.03 3.84 -1.25 -1.81 114.94 123.63 2jk4 s ASN 159 Ca -0.16 -1.32 -0.08 0.00 0.21 0.00 0.00 52.86 51.51 2jk4 s ASN 159 Cb -0.17 -1.56 -0.05 0.00 -0.55 0.00 0.00 41.25 38.93 2jk4 s ASN 159 CO 0.06 -0.18 0.25 -0.36 -2.79 0.00 0.00 177.10 174.08 2jk4 s PHE 160 N 1.13 3.61 0.01 0.43 0.40 0.12 -1.93 117.98 121.75 2jk4 s PHE 160 Ca -0.07 0.62 -0.06 0.00 -0.60 0.00 0.00 56.93 56.82 2jk4 s PHE 160 Cb -0.19 -2.02 -0.00 0.00 0.51 0.00 0.00 43.02 41.31 2jk4 s PHE 160 CO -0.05 0.66 0.10 -1.21 0.70 0.00 0.00 175.22 175.42 2jk4 s GLU 161 N -1.42 0.48 0.55 0.44 0.41 -1.26 -0.42 118.70 117.48 2jk4 s GLU 161 Ca 0.23 -0.49 0.00 0.00 -0.41 0.00 0.00 54.97 54.30 2jk4 s GLU 161 Cb -0.13 0.19 0.00 0.00 -1.78 0.00 0.00 34.13 32.41 2jk4 s GLU 161 CO 0.12 -0.11 0.00 2.41 -0.49 0.00 0.00 175.26 177.19 2jk4 n THR 162 N 1.35 -3.22 0.08 3.63 -1.04 -1.05 -4.27 114.28 109.76 2jk4 n THR 162 Ca -0.22 1.57 -0.11 0.00 -2.04 0.00 0.00 64.05 63.24 2jk4 n THR 162 Cb 0.56 -2.48 -0.04 0.00 -1.82 0.00 0.00 70.33 66.54 2jk4 n THR 162 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jk4 h ALA 163 N 0.46 0.40 -0.12 2.41 0.00 -1.92 -3.32 119.26 117.17 2jk4 h ALA 163 Ca 0.00 -0.75 -0.20 0.00 0.00 0.00 0.00 54.91 53.96 2jk4 h ALA 163 Cb 0.74 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.49 2jk4 h ALA 163 CO 0.00 0.91 -0.71 -0.22 0.00 0.00 0.00 179.25 179.23 2jk4 h LYS 164 N 0.13 0.69 -5.46 0.00 3.64 -1.99 -3.42 116.57 110.17 2jk4 h LYS 164 Ca -0.07 -0.59 -0.60 0.00 -1.27 0.00 0.00 60.65 58.13 2jk4 h LYS 164 Cb 1.61 0.13 -0.11 0.00 -0.41 0.00 0.00 32.23 33.45 2jk4 h LYS 164 CO 0.15 1.20 -0.15 -1.54 -2.27 0.00 0.00 179.45 176.84 2jk4 s SER 165 N -6.98 6.48 -0.05 4.20 1.04 -1.25 -5.00 113.70 112.14 2jk4 s SER 165 Ca -0.11 0.57 -0.20 0.00 0.48 0.00 0.00 55.95 56.68 2jk4 s SER 165 Cb 0.07 -2.25 -0.15 0.00 0.10 0.00 0.00 66.02 63.79 2jk4 s SER 165 CO 0.88 -0.11 0.84 0.03 0.98 0.00 0.00 173.24 175.87 2jk4 h ARG 166 N 7.40 -0.23 -6.26 4.02 3.08 -1.81 -3.39 114.38 117.18 2jk4 h ARG 166 Ca -0.35 0.02 -0.62 0.00 0.07 0.00 0.00 59.98 59.09 2jk4 h ARG 166 Cb 1.16 0.05 -0.10 0.00 0.08 0.00 0.00 29.97 31.17 2jk4 h ARG 166 CO 0.72 0.17 -0.62 0.08 -1.07 0.00 0.00 179.97 179.25 2jk4 s VAL 167 N -3.40 4.25 0.00 2.04 1.01 -1.26 -4.09 120.40 118.95 2jk4 s VAL 167 Ca -0.12 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.87 2jk4 s VAL 167 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2jk4 s VAL 167 CO 0.45 0.04 0.00 0.41 0.00 0.00 0.00 175.10 176.00 2jk4 n THR 168 N 0.24 0.00 -3.44 3.92 -1.04 -0.81 -4.78 114.28 108.37 2jk4 n THR 168 Ca -0.09 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.75 2jk4 n THR 168 Cb 0.53 -0.33 -0.11 0.00 -1.82 0.00 0.00 70.33 68.60 2jk4 n THR 168 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2jk4 s GLN 169 N 0.00 0.26 -0.10 -2.82 -0.21 -1.19 -5.05 119.66 110.56 2jk4 s GLN 169 Ca 0.00 0.09 0.01 0.00 0.02 0.00 0.00 55.36 55.48 2jk4 s GLN 169 Cb 0.00 -0.89 -0.02 0.00 1.00 0.00 0.00 33.01 33.10 2jk4 s GLN 169 CO 0.00 -0.81 -0.14 -1.54 -2.12 0.00 0.00 175.29 170.67 2jk4 s SER 170 N 2.36 3.96 0.20 5.90 1.04 -1.26 -3.77 113.70 122.12 2jk4 s SER 170 Ca 0.09 -0.30 0.08 0.00 0.48 0.00 0.00 55.95 56.30 2jk4 s SER 170 Cb -0.15 -1.34 -0.04 0.00 0.10 0.00 0.00 66.02 64.59 2jk4 s SER 170 CO -0.22 0.23 -0.04 0.20 0.98 0.00 0.00 173.24 174.39 2jk4 s ASN 171 N -0.01 4.53 -0.02 7.02 0.02 -0.48 -4.02 114.94 121.96 2jk4 s ASN 171 Ca -0.04 -0.52 0.01 0.00 -1.02 0.00 0.00 52.86 51.29 2jk4 s ASN 171 Cb -0.14 -0.87 0.02 0.00 0.02 0.00 0.00 41.25 40.28 2jk4 s ASN 171 CO 0.04 0.07 -0.01 -0.36 0.02 0.00 0.00 177.10 176.87 2jk4 s PHE 172 N -1.86 0.31 0.20 2.20 2.99 -1.06 0.19 117.98 120.95 2jk4 s PHE 172 Ca 0.27 -0.01 0.03 0.00 0.00 0.00 0.00 56.93 57.22 2jk4 s PHE 172 Cb -0.08 -0.37 -0.05 0.00 0.00 0.00 0.00 43.02 42.52 2jk4 s PHE 172 CO 0.18 -0.11 -0.01 0.00 -0.00 0.00 0.00 175.22 175.27 2jk4 s ALA 173 N 0.82 1.60 0.14 5.36 0.00 -1.09 -2.46 121.76 126.13 2jk4 s ALA 173 Ca -0.08 -1.67 -0.00 0.00 0.00 0.00 0.00 51.96 50.21 2jk4 s ALA 173 Cb -0.12 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 2jk4 s ALA 173 CO -0.01 -0.25 0.03 0.08 0.00 0.00 0.00 175.76 175.61 2jk4 s VAL 174 N -3.49 0.28 0.00 0.00 1.01 -0.60 -0.44 120.40 117.17 2jk4 s VAL 174 Ca 0.25 -1.92 0.00 0.00 0.00 0.00 0.00 61.98 60.31 2jk4 s VAL 174 Cb 0.05 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.41 2jk4 s VAL 174 CO 0.06 -0.51 0.00 0.61 0.00 0.00 0.00 175.10 175.26 2jk4 n GLY 175 N -0.12 4.30 3.55 4.51 0.00 -0.41 0.96 105.19 117.98 2jk4 n GLY 175 Ca -0.06 -1.13 -0.27 0.00 0.00 0.00 0.00 46.02 44.56 2jk4 n GLY 175 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jk4 s TYR 176 N -2.00 2.62 0.23 1.61 -0.85 -0.83 -2.76 117.35 115.37 2jk4 s TYR 176 Ca 0.00 -0.23 -0.16 0.00 -0.52 0.00 0.00 57.07 56.16 2jk4 s TYR 176 Cb 0.00 -1.30 -0.08 0.00 0.38 0.00 0.00 41.96 40.96 2jk4 s TYR 176 CO 0.00 0.49 0.66 0.21 -1.52 0.00 0.00 175.55 175.39 2jk4 s LYS 177 N -2.67 4.07 0.02 -3.49 2.20 -1.26 -3.24 119.74 115.36 2jk4 s LYS 177 Ca 0.23 0.65 -0.03 0.00 -0.36 0.00 0.00 55.97 56.47 2jk4 s LYS 177 Cb -0.09 -2.76 -0.01 0.00 -1.51 0.00 0.00 37.83 33.45 2jk4 s LYS 177 CO 0.14 0.35 0.04 0.99 -0.36 0.00 0.00 175.35 176.52 2jk4 s THR 178 N -1.65 0.10 -0.74 3.43 2.01 -0.79 -4.42 115.64 113.59 2jk4 s THR 178 Ca 0.45 -0.85 -0.09 0.00 0.31 0.00 0.00 61.69 61.50 2jk4 s THR 178 Cb -0.14 -0.39 -0.23 0.00 0.01 0.00 0.00 72.50 71.75 2jk4 s THR 178 CO 0.20 -0.47 1.90 -0.67 -0.69 0.00 0.00 174.62 174.88 2jk4 n ASP 179 N 1.46 -1.13 -0.00 3.53 2.03 -1.26 0.16 116.55 121.33 2jk4 n ASP 179 Ca -0.23 -0.95 -0.00 0.00 0.52 0.00 0.00 54.79 54.13 2jk4 n ASP 179 Cb 0.55 -0.72 -0.00 0.00 -0.72 0.00 0.00 41.12 40.23 2jk4 n ASP 179 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jk4 n GLU 180 N 5.73 -0.06 -4.28 -0.67 1.02 -1.26 -4.76 120.64 116.36 2jk4 n GLU 180 Ca 0.48 0.05 -0.15 0.00 -0.02 0.00 0.00 57.16 57.51 2jk4 n GLU 180 Cb 0.27 -3.12 -0.10 0.00 -0.02 0.00 0.00 31.44 28.47 2jk4 n GLU 180 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2jk4 s PHE 181 N -1.97 1.40 -0.15 -0.32 0.08 0.12 -3.65 117.98 113.50 2jk4 s PHE 181 Ca 0.00 -0.73 -0.06 0.00 0.12 0.00 0.00 56.93 56.27 2jk4 s PHE 181 Cb 0.00 -0.71 0.07 0.00 -0.57 0.00 0.00 43.02 41.81 2jk4 s PHE 181 CO 0.00 0.14 0.32 -0.65 -0.10 0.00 0.00 175.22 174.93 2jk4 s GLN 182 N -3.73 0.22 -0.08 0.44 -0.21 -1.13 -1.89 119.66 113.28 2jk4 s GLN 182 Ca 0.19 0.82 0.00 0.00 0.02 0.00 0.00 55.36 56.39 2jk4 s GLN 182 Cb 0.02 0.07 0.02 0.00 1.00 0.00 0.00 33.01 34.12 2jk4 s GLN 182 CO 0.03 -0.26 -0.07 -0.51 -2.12 0.00 0.00 175.29 172.37 2jk4 s LEU 183 N 2.30 1.21 0.35 2.90 1.02 -1.20 0.80 118.68 126.06 2jk4 s LEU 183 Ca -0.01 -0.23 -0.01 0.00 0.02 0.00 0.00 54.13 53.90 2jk4 s LEU 183 Cb -0.12 -0.69 -0.00 0.00 0.02 0.00 0.00 46.19 45.40 2jk4 s LEU 183 CO -0.10 -0.09 0.45 -1.38 0.02 0.00 0.00 176.35 175.26 2jk4 s HIS 184 N 1.37 1.17 -0.10 0.29 -3.43 -0.77 -1.96 115.29 111.87 2jk4 s HIS 184 Ca -0.02 -1.36 -0.04 0.00 -0.80 0.00 0.00 55.06 52.84 2jk4 s HIS 184 Cb -0.14 -0.16 0.05 0.00 -1.43 0.00 0.00 32.58 30.90 2jk4 s HIS 184 CO -0.03 -1.11 0.20 0.95 -2.00 0.00 0.00 174.74 172.74 2jk4 s THR 185 N -3.06 -0.21 -0.13 -5.38 -4.23 0.27 -1.43 115.64 101.47 2jk4 s THR 185 Ca 0.32 0.25 -0.13 0.00 -1.18 0.00 0.00 61.69 60.95 2jk4 s THR 185 Cb -0.00 -0.34 -0.05 0.00 1.34 0.00 0.00 72.50 73.45 2jk4 s THR 185 CO 0.22 0.11 0.29 0.21 -0.54 0.00 0.00 174.62 174.90 2jk4 s ASN 186 N 1.86 6.48 -0.71 3.99 3.04 0.36 -1.55 114.94 128.40 2jk4 s ASN 186 Ca -0.03 0.56 0.05 0.00 0.04 0.00 0.00 52.86 53.48 2jk4 s ASN 186 Cb -0.12 -2.18 0.20 0.00 -1.54 0.00 0.00 41.25 37.62 2jk4 s ASN 186 CO -0.07 0.16 0.63 0.52 -3.04 0.00 0.00 177.10 175.31 2jk4 n VAL 187 N 3.16 2.11 -1.27 -5.21 0.31 -1.03 -1.92 118.33 114.48 2jk4 n VAL 187 Ca -0.13 -5.04 -0.36 0.00 -0.01 0.00 0.00 64.34 58.79 2jk4 n VAL 187 Cb 0.52 -2.17 0.07 0.00 -0.91 0.00 0.00 33.84 31.34 2jk4 n VAL 187 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2jk4 n ASN 188 N 1.58 -1.27 -4.85 4.52 5.03 -1.22 -2.57 115.26 116.49 2jk4 n ASN 188 Ca 0.24 0.60 -0.31 0.00 0.87 0.00 0.00 54.58 55.97 2jk4 n ASN 188 Cb 0.37 -1.20 0.03 0.00 -1.02 0.00 0.00 39.78 37.96 2jk4 n ASN 188 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2jk4 s ASP 189 N -1.44 5.83 0.00 6.41 2.15 -1.26 -3.03 116.67 125.34 2jk4 s ASP 189 Ca 0.65 1.51 0.00 0.00 0.43 0.00 0.00 52.55 55.15 2jk4 s ASP 189 Cb -0.36 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 39.78 2jk4 s ASP 189 CO 0.58 -1.14 0.00 0.61 -0.17 0.00 0.00 175.17 175.05 2jk4 n GLY 190 N -2.39 0.72 1.60 2.66 0.00 -1.26 -4.52 105.19 102.00 2jk4 n GLY 190 Ca 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 2jk4 n GLY 190 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jk4 n THR 191 N -2.53 -2.48 -3.85 2.61 -1.04 -1.25 -5.03 114.28 100.70 2jk4 n THR 191 Ca 0.00 0.05 -0.12 0.00 -2.04 0.00 0.00 64.05 61.94 2jk4 n THR 191 Cb 0.00 -4.15 -0.14 0.00 -1.82 0.00 0.00 70.33 64.22 2jk4 n THR 191 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2jk4 s GLU 192 N -1.47 0.05 -0.05 -2.82 0.41 -1.17 -3.96 118.70 109.70 2jk4 s GLU 192 Ca 0.01 0.07 0.05 0.00 -0.41 0.00 0.00 54.97 54.69 2jk4 s GLU 192 Cb -0.00 0.01 -0.02 0.00 -1.78 0.00 0.00 34.13 32.34 2jk4 s GLU 192 CO 0.06 -0.01 -0.19 0.12 -0.49 0.00 0.00 175.26 174.74 2jk4 s PHE 193 N 0.07 2.57 0.00 1.61 5.36 0.56 -3.38 117.98 124.76 2jk4 s PHE 193 Ca -0.00 -0.34 0.00 0.00 -0.96 0.00 0.00 56.93 55.63 2jk4 s PHE 193 Cb -0.01 -1.60 0.00 0.00 -0.34 0.00 0.00 43.02 41.07 2jk4 s PHE 193 CO -0.00 0.05 0.00 0.41 -1.46 0.00 0.00 175.22 174.22 2jk4 n GLY 194 N 2.50 0.65 3.82 13.12 0.00 -0.81 0.25 105.19 124.72 2jk4 n GLY 194 Ca -0.17 -0.68 -0.05 0.00 0.00 0.00 0.00 46.02 45.12 2jk4 n GLY 194 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jk4 s GLY 195 N 0.00 0.02 0.09 -0.02 0.00 -0.38 0.13 107.32 107.16 2jk4 s GLY 195 Ca 0.00 -0.26 -0.11 0.00 0.00 0.00 0.00 44.72 44.35 2jk4 s GLY 195 CO 0.00 0.60 0.25 -0.56 0.00 0.00 0.00 173.10 173.38 2jk4 s SER 196 N -3.10 0.01 -0.15 1.64 0.01 -0.51 -2.55 113.70 109.06 2jk4 s SER 196 Ca 0.15 -0.50 -0.04 0.00 1.31 0.00 0.00 55.95 56.87 2jk4 s SER 196 Cb -0.03 0.36 0.07 0.00 0.21 0.00 0.00 66.02 66.63 2jk4 s SER 196 CO 0.06 -0.72 0.25 -0.63 0.41 0.00 0.00 173.24 172.60 2jk4 s ILE 197 N -3.56 -0.39 0.00 1.44 1.09 -0.59 -1.84 121.20 117.35 2jk4 s ILE 197 Ca 0.02 0.19 -0.16 0.00 -1.10 0.00 0.00 60.65 59.60 2jk4 s ILE 197 Cb 0.03 -0.49 -0.06 0.00 -1.06 0.00 0.00 42.46 40.88 2jk4 s ILE 197 CO -0.10 0.04 0.44 -0.31 -0.10 0.00 0.00 174.94 174.91 2jk4 s TYR 198 N 2.39 3.73 -0.13 3.97 1.51 0.24 -1.76 117.35 127.29 2jk4 s TYR 198 Ca 0.03 1.03 -0.03 0.00 -1.01 0.00 0.00 57.07 57.09 2jk4 s TYR 198 Cb -0.13 -2.34 0.05 0.00 -0.11 0.00 0.00 41.96 39.42 2jk4 s TYR 198 CO -0.09 0.60 0.05 -1.14 -1.11 0.00 0.00 175.55 173.86 2jk4 s GLN 199 N -0.95 0.33 -0.49 -0.62 0.74 -0.89 -2.83 119.66 114.94 2jk4 s GLN 199 Ca 0.25 -0.04 -0.00 0.00 0.05 0.00 0.00 55.36 55.61 2jk4 s GLN 199 Cb -0.17 -1.45 0.13 0.00 1.10 0.00 0.00 33.01 32.62 2jk4 s GLN 199 CO 0.14 -0.51 0.27 0.21 -0.55 0.00 0.00 175.29 174.85 2jk4 s LYS 200 N 2.03 2.10 0.01 1.67 2.20 -1.24 -2.09 119.74 124.42 2jk4 s LYS 200 Ca 0.02 -2.23 0.24 0.00 -0.36 0.00 0.00 55.97 53.65 2jk4 s LYS 200 Cb -0.15 -3.52 0.33 0.00 -1.51 0.00 0.00 37.83 32.98 2jk4 s LYS 200 CO -0.07 -1.09 1.29 0.28 -0.36 0.00 0.00 175.35 175.40 2jk4 n VAL 201 N 3.88 0.03 -3.67 4.02 0.31 -1.26 -4.87 118.33 116.76 2jk4 n VAL 201 Ca 0.04 -0.03 -0.12 0.00 -0.01 0.00 0.00 64.34 64.22 2jk4 n VAL 201 Cb 0.38 0.37 -0.06 0.00 -0.91 0.00 0.00 33.84 33.62 2jk4 n VAL 201 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2jk4 s ASN 202 N -3.12 -0.24 0.21 4.52 -0.87 -1.10 -4.99 114.94 109.35 2jk4 s ASN 202 Ca 0.10 -0.11 0.16 0.00 -1.57 0.00 0.00 52.86 51.43 2jk4 s ASN 202 Cb 0.17 0.43 0.00 0.00 -0.02 0.00 0.00 41.25 41.83 2jk4 s ASN 202 CO 0.74 -0.70 1.24 0.11 -2.57 0.00 0.00 177.10 175.91 2jk4 h LYS 203 N 2.88 0.00 0.00 -0.60 1.57 -1.96 -3.16 116.57 115.30 2jk4 h LYS 203 Ca -0.32 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 2jk4 h LYS 203 Cb 1.22 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 2jk4 h LYS 203 CO 0.45 0.40 -0.96 -0.22 -0.57 0.00 0.00 179.45 178.55 2jk4 h LYS 204 N 0.00 0.00 -5.30 3.15 3.64 -1.95 -3.37 116.57 112.74 2jk4 h LYS 204 Ca -0.05 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.65 2jk4 h LYS 204 Cb 1.42 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.91 2jk4 h LYS 204 CO 0.05 0.06 -0.88 -0.51 -2.27 0.00 0.00 179.45 175.90 2jk4 s LEU 205 N -5.54 2.09 0.02 5.20 1.02 -1.19 -0.41 118.68 119.87 2jk4 s LEU 205 Ca -0.00 -0.57 0.01 0.00 0.02 0.00 0.00 54.13 53.59 2jk4 s LEU 205 Cb 0.09 -1.41 -0.02 0.00 0.02 0.00 0.00 46.19 44.87 2jk4 s LEU 205 CO 0.78 0.14 -0.04 -1.61 0.02 0.00 0.00 176.35 175.64 2jk4 s GLU 206 N 0.45 0.32 0.18 1.70 2.02 0.11 -2.72 118.70 120.76 2jk4 s GLU 206 Ca -0.16 -0.50 -0.07 0.00 0.02 0.00 0.00 54.97 54.26 2jk4 s GLU 206 Cb -0.17 -0.06 -0.02 0.00 0.10 0.00 0.00 34.13 33.97 2jk4 s GLU 206 CO 0.06 0.00 0.25 0.95 0.02 0.00 0.00 175.26 176.54 2jk4 s THR 207 N -1.05 0.05 -0.19 3.63 -4.23 -0.89 -1.65 115.64 111.32 2jk4 s THR 207 Ca -0.10 -1.59 -0.31 0.00 -1.18 0.00 0.00 61.69 58.51 2jk4 s THR 207 Cb -0.07 -2.05 0.14 0.00 1.34 0.00 0.00 72.50 71.86 2jk4 s THR 207 CO -0.00 -0.23 1.13 0.00 -0.54 0.00 0.00 174.62 174.98 2jk4 s ALA 208 N -4.02 -2.00 -0.09 3.99 0.00 -0.94 -2.09 121.76 116.61 2jk4 s ALA 208 Ca 0.23 1.62 -0.04 0.00 0.00 0.00 0.00 51.96 53.77 2jk4 s ALA 208 Cb 0.04 -0.70 0.05 0.00 0.00 0.00 0.00 23.12 22.50 2jk4 s ALA 208 CO 0.04 -0.38 0.21 0.08 0.00 0.00 0.00 175.76 175.70 2jk4 s VAL 209 N -1.55 -0.11 0.32 0.00 1.01 -0.72 -1.66 120.40 117.69 2jk4 s VAL 209 Ca 0.04 0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.31 2jk4 s VAL 209 Cb -0.01 -0.33 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 2jk4 s VAL 209 CO -0.03 0.08 0.02 0.20 0.00 0.00 0.00 175.10 175.37 2jk4 s ASN 210 N 1.48 4.33 0.00 3.32 0.01 -0.33 -1.54 114.94 122.20 2jk4 s ASN 210 Ca -0.07 -0.88 0.00 0.00 -0.71 0.00 0.00 52.86 51.20 2jk4 s ASN 210 Cb -0.11 -0.62 0.00 0.00 0.41 0.00 0.00 41.25 40.93 2jk4 s ASN 210 CO -0.07 -0.19 0.00 -0.11 -1.51 0.00 0.00 177.10 175.22 2jk4 n LEU 211 N -0.96 0.00 -3.85 0.60 0.00 -1.06 -2.31 117.00 109.42 2jk4 n LEU 211 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 55.84 2jk4 n LEU 211 Cb 0.61 0.00 -0.14 0.00 0.00 0.00 0.00 43.42 43.90 2jk4 n LEU 211 CO 0.42 0.00 -0.31 0.00 0.00 0.00 0.00 177.39 177.50 2jk4 s ALA 212 N -1.32 -0.11 -0.21 1.96 0.00 -1.24 -1.25 121.76 119.60 2jk4 s ALA 212 Ca 0.00 0.15 -0.06 0.00 0.00 0.00 0.00 51.96 52.04 2jk4 s ALA 212 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 2jk4 s ALA 212 CO 0.00 -0.03 0.04 -0.46 0.00 0.00 0.00 175.76 175.31 2jk4 s TRP 213 N 0.09 3.11 -0.32 0.00 -0.00 0.70 -4.09 118.94 118.43 2jk4 s TRP 213 Ca -0.01 -0.27 -0.18 0.00 -0.00 0.00 0.00 56.10 55.64 2jk4 s TRP 213 Cb -0.01 -2.12 -0.01 0.00 -0.00 0.00 0.00 33.47 31.33 2jk4 s TRP 213 CO -0.00 -0.15 0.53 0.99 -0.00 0.00 0.00 176.95 178.32 2jk4 s THR 214 N 0.97 5.01 1.04 5.86 2.01 -1.26 -0.32 115.64 128.96 2jk4 s THR 214 Ca 0.03 0.53 -0.20 0.00 0.31 0.00 0.00 61.69 62.36 2jk4 s THR 214 Cb -0.14 -3.94 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 2jk4 s THR 214 CO 0.02 -0.14 -0.47 0.00 -0.69 0.00 0.00 174.62 173.35 2jk4 n ALA 215 N 5.73 -4.54 0.00 7.40 0.00 -1.25 -3.48 120.51 124.36 2jk4 n ALA 215 Ca -0.04 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.27 2jk4 n ALA 215 Cb 0.49 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2jk4 n ALA 215 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jk4 n GLY 216 N 2.53 2.54 0.00 0.00 0.00 -1.26 -4.17 105.19 104.83 2jk4 n GLY 216 Ca 0.01 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2jk4 n GLY 216 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jk4 n ASN 217 N 1.70 0.00 -4.06 1.61 4.05 -1.26 -5.16 115.26 112.14 2jk4 n ASN 217 Ca 0.00 0.00 -0.36 0.00 0.45 0.00 0.00 54.58 54.67 2jk4 n ASN 217 Cb 0.00 0.00 0.05 0.00 1.23 0.00 0.00 39.78 41.06 2jk4 n ASN 217 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 2jk4 n SER 218 N 0.00 -5.35 0.00 1.20 7.64 -1.23 -5.00 113.62 110.88 2jk4 n SER 218 Ca 0.00 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2jk4 n SER 218 Cb 0.00 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 2jk4 n SER 218 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2jk4 n ASN 219 N 2.75 0.00 -3.64 6.43 4.05 -1.26 -4.81 115.26 118.78 2jk4 n ASN 219 Ca -0.01 0.00 -0.05 0.00 0.45 0.00 0.00 54.58 54.98 2jk4 n ASN 219 Cb 0.56 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.51 2jk4 n ASN 219 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2jk4 s THR 220 N 0.00 0.00 -0.10 -0.44 2.01 -1.26 -4.64 115.64 111.20 2jk4 s THR 220 Ca 0.00 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.00 2jk4 s THR 220 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 2jk4 s THR 220 CO 0.00 0.00 -0.08 0.00 -0.69 0.00 0.00 174.62 173.85 2jk4 s ARG 221 N 0.91 3.11 0.46 4.92 3.03 -1.26 -4.82 118.95 125.30 2jk4 s ARG 221 Ca -0.04 -0.59 0.07 0.00 2.03 0.00 0.00 55.73 57.20 2jk4 s ARG 221 Cb -0.04 -2.66 0.07 0.00 -1.03 0.00 0.00 34.95 31.30 2jk4 s ARG 221 CO -0.12 0.44 0.61 1.19 -1.13 0.00 0.00 175.30 176.30 2jk4 n PHE 222 N 2.88 -2.34 -3.17 5.89 3.01 -1.26 -3.72 117.46 118.75 2jk4 n PHE 222 Ca -0.18 -1.68 0.05 0.00 1.01 0.00 0.00 57.45 56.65 2jk4 n PHE 222 Cb 0.53 -0.43 -0.02 0.00 -0.01 0.00 0.00 39.48 39.55 2jk4 n PHE 222 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2jk4 s GLY 223 N -4.05 -0.41 -0.23 1.37 0.00 -0.98 -4.21 107.32 98.83 2jk4 s GLY 223 Ca 0.47 2.69 0.00 0.00 0.00 0.00 0.00 44.72 47.88 2jk4 s GLY 223 CO 0.30 3.71 -0.11 -0.42 0.00 0.00 0.00 173.10 176.57 2jk4 s ILE 224 N 2.89 2.47 0.27 0.90 1.01 -0.71 -1.18 121.20 126.85 2jk4 s ILE 224 Ca 0.02 -1.14 0.11 0.00 0.00 0.00 0.00 60.65 59.64 2jk4 s ILE 224 Cb -0.10 -2.24 -0.05 0.00 0.01 0.00 0.00 42.46 40.08 2jk4 s ILE 224 CO -0.13 0.25 -0.19 0.00 0.00 0.00 0.00 174.94 174.87 2jk4 s ALA 225 N 1.26 2.63 -0.29 9.38 0.00 -0.67 -1.99 121.76 132.08 2jk4 s ALA 225 Ca -0.01 -1.85 -0.26 0.00 0.00 0.00 0.00 51.96 49.85 2jk4 s ALA 225 Cb -0.16 -0.22 0.18 0.00 0.00 0.00 0.00 23.12 22.91 2jk4 s ALA 225 CO -0.07 0.24 1.37 0.00 0.00 0.00 0.00 175.76 177.30 2jk4 s ALA 226 N -2.59 -2.17 -0.01 0.00 0.00 -1.26 -2.21 121.76 113.52 2jk4 s ALA 226 Ca 0.29 1.74 0.00 0.00 0.00 0.00 0.00 51.96 53.99 2jk4 s ALA 226 Cb -0.04 -1.66 0.02 0.00 0.00 0.00 0.00 23.12 21.44 2jk4 s ALA 226 CO 0.14 -0.15 0.01 0.21 0.00 0.00 0.00 175.76 175.97 2jk4 s LYS 227 N -0.20 0.03 -0.48 0.00 2.20 -0.66 -0.56 119.74 120.08 2jk4 s LYS 227 Ca 0.07 0.08 -0.13 0.00 -0.36 0.00 0.00 55.97 55.63 2jk4 s LYS 227 Cb -0.04 -0.18 0.10 0.00 -1.51 0.00 0.00 37.83 36.20 2jk4 s LYS 227 CO -0.13 -0.08 0.38 0.71 -0.36 0.00 0.00 175.35 175.87 2jk4 s TYR 228 N 0.56 3.31 -0.61 4.03 4.12 -1.26 -0.72 117.35 126.78 2jk4 s TYR 228 Ca -0.05 -1.37 -0.28 0.00 0.02 0.00 0.00 57.07 55.40 2jk4 s TYR 228 Cb -0.07 -3.34 -0.27 0.00 -1.52 0.00 0.00 41.96 36.76 2jk4 s TYR 228 CO -0.01 -0.91 1.86 0.94 0.02 0.00 0.00 175.55 177.45 2jk4 n GLN 229 N 5.08 0.39 -1.62 -0.62 7.27 0.45 -4.14 117.38 124.19 2jk4 n GLN 229 Ca -0.11 -1.52 -0.44 0.00 0.07 0.00 0.00 57.00 55.00 2jk4 n GLN 229 Cb 0.42 -3.21 -0.01 0.00 2.41 0.00 0.00 30.24 29.85 2jk4 n GLN 229 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 2jk4 n ILE 230 N 7.73 2.03 -0.11 1.69 2.08 -1.26 -4.40 119.36 127.11 2jk4 n ILE 230 Ca 0.45 -0.50 -0.07 0.00 0.56 0.00 0.00 62.75 63.19 2jk4 n ILE 230 Cb 0.44 -1.18 -0.00 0.00 -0.75 0.00 0.00 39.64 38.15 2jk4 n ILE 230 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 2jk4 h ASP 231 N 2.12 -0.91 -4.24 4.38 3.32 -1.88 -3.41 116.42 115.79 2jk4 h ASP 231 Ca -0.42 0.18 -0.51 0.00 0.02 0.00 0.00 57.03 56.29 2jk4 h ASP 231 Cb 1.32 0.44 0.12 0.00 0.22 0.00 0.00 39.33 41.44 2jk4 h ASP 231 CO 0.61 -0.29 0.35 -2.16 -1.72 0.00 0.00 179.24 176.03 2jk4 s PRO 232 N -6.06 2.44 -0.14 3.56 0.04 -1.26 -4.80 135.00 128.77 2jk4 s PRO 232 Ca -0.15 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 61.97 2jk4 s PRO 232 Cb 0.14 -1.91 -0.33 0.00 0.04 0.00 0.00 34.50 32.44 2jk4 s PRO 232 CO 0.69 -1.53 1.64 -0.25 0.04 0.00 0.00 177.00 177.59 2jk4 n ASP 233 N -2.94 1.27 -3.15 6.66 8.00 -1.26 -4.48 116.55 120.65 2jk4 n ASP 233 Ca 0.10 -2.52 0.06 0.00 0.71 0.00 0.00 54.79 53.14 2jk4 n ASP 233 Cb 0.52 -0.61 -0.01 0.00 -0.02 0.00 0.00 41.12 41.00 2jk4 n ASP 233 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jk4 s ALA 234 N 6.58 -4.08 0.29 2.24 0.00 -1.26 0.11 121.76 125.64 2jk4 s ALA 234 Ca 0.65 1.37 0.09 0.00 0.00 0.00 0.00 51.96 54.08 2jk4 s ALA 234 Cb 0.15 -2.77 -0.05 0.00 0.00 0.00 0.00 23.12 20.45 2jk4 s ALA 234 CO 0.30 -1.88 0.01 0.00 0.00 0.00 0.00 175.76 174.18 2jk4 n PHE 236 N -0.92 0.00 -3.67 0.00 3.01 -1.26 0.80 117.46 115.42 2jk4 n PHE 236 Ca -0.05 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.28 2jk4 n PHE 236 Cb 0.60 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.01 2jk4 n PHE 236 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2jk4 s SER 237 N 1.00 -0.29 -0.37 4.37 0.01 0.60 -4.39 113.70 114.63 2jk4 s SER 237 Ca 0.00 0.03 0.06 0.00 1.31 0.00 0.00 55.95 57.35 2jk4 s SER 237 Cb 0.00 0.42 0.44 0.00 0.21 0.00 0.00 66.02 67.09 2jk4 s SER 237 CO 0.00 -0.65 1.19 0.00 0.41 0.00 0.00 173.24 174.20 2jk4 n ALA 238 N 0.58 5.10 -0.41 1.44 0.00 0.27 -3.98 120.51 123.50 2jk4 n ALA 238 Ca -0.19 -4.00 -0.33 0.00 0.00 0.00 0.00 53.44 48.92 2jk4 n ALA 238 Cb 0.59 -0.47 -0.09 0.00 0.00 0.00 0.00 19.45 19.49 2jk4 n ALA 238 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jk4 n LYS 239 N -0.62 0.00 -3.89 0.00 4.01 -1.20 -4.28 118.16 112.18 2jk4 n LYS 239 Ca 0.43 -0.84 -0.35 0.00 -0.51 0.00 0.00 58.31 57.04 2jk4 n LYS 239 Cb 0.83 -2.31 -0.14 0.00 -0.51 0.00 0.00 35.03 32.90 2jk4 n LYS 239 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2jk4 s VAL 240 N 6.32 3.35 -0.07 -0.18 1.01 -0.84 -2.01 120.40 127.97 2jk4 s VAL 240 Ca 0.50 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.69 2jk4 s VAL 240 Cb 0.11 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 2jk4 s VAL 240 CO 0.25 0.26 0.20 0.21 0.00 0.00 0.00 175.10 176.02 2jk4 s ASN 241 N 1.43 6.45 0.00 3.32 3.84 0.41 -1.74 114.94 128.65 2jk4 s ASN 241 Ca 0.03 0.53 0.26 0.00 0.21 0.00 0.00 52.86 53.89 2jk4 s ASN 241 Cb -0.16 -2.09 0.67 0.00 -0.55 0.00 0.00 41.25 39.13 2jk4 s ASN 241 CO -0.02 0.36 1.52 0.59 -2.79 0.00 0.00 177.10 176.75 2jk4 n ASN 242 N 1.70 0.67 -0.03 -4.21 5.03 -1.26 -3.50 115.26 113.65 2jk4 n ASN 242 Ca -0.17 -0.47 -0.13 0.00 0.87 0.00 0.00 54.58 54.68 2jk4 n ASN 242 Cb 0.54 0.16 -0.10 0.00 -1.02 0.00 0.00 39.78 39.36 2jk4 n ASN 242 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 2jk4 h SER 243 N 0.47 0.12 0.00 6.41 4.64 -1.88 -3.42 113.55 119.89 2jk4 h SER 243 Ca 0.00 -0.57 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 2jk4 h SER 243 Cb 0.49 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2jk4 h SER 243 CO 0.00 0.67 0.00 -1.54 -0.87 0.00 0.00 176.83 175.09 2jk4 n SER 244 N -4.71 0.00 -4.34 4.97 3.41 -1.25 -4.94 113.62 106.76 2jk4 n SER 244 Ca -0.08 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.17 2jk4 n SER 244 Cb 0.33 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.15 2jk4 n SER 244 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2jk4 s LEU 245 N 0.00 3.15 -0.54 1.04 1.02 -1.23 -4.91 118.68 117.21 2jk4 s LEU 245 Ca 0.00 -0.40 0.04 0.00 0.02 0.00 0.00 54.13 53.78 2jk4 s LEU 245 Cb 0.00 -1.80 0.15 0.00 0.02 0.00 0.00 46.19 44.56 2jk4 s LEU 245 CO 0.00 -0.05 0.33 -0.63 0.02 0.00 0.00 176.35 176.03 2jk4 s ILE 246 N 1.51 2.09 0.23 -0.59 -1.09 -1.24 0.16 121.20 122.26 2jk4 s ILE 246 Ca 0.05 -3.32 0.01 0.00 -2.23 0.00 0.00 60.65 55.17 2jk4 s ILE 246 Cb -0.15 -2.42 -0.05 0.00 -1.58 0.00 0.00 42.46 38.26 2jk4 s ILE 246 CO -0.01 -0.94 0.06 -0.83 -1.23 0.00 0.00 174.94 171.99 2jk4 s GLY 247 N -0.42 1.55 -0.01 6.18 0.00 -0.85 -1.17 107.32 112.59 2jk4 s GLY 247 Ca 0.21 -1.77 -0.01 0.00 0.00 0.00 0.00 44.72 43.15 2jk4 s GLY 247 CO -0.07 -1.57 0.03 1.08 0.00 0.00 0.00 173.10 172.57 2jk4 s LEU 248 N -3.26 1.89 -0.16 0.66 1.02 0.02 -3.26 118.68 115.59 2jk4 s LEU 248 Ca 0.33 0.02 -0.08 0.00 0.02 0.00 0.00 54.13 54.42 2jk4 s LEU 248 Cb 0.07 0.13 -0.04 0.00 0.02 0.00 0.00 46.19 46.36 2jk4 s LEU 248 CO 0.10 -0.04 0.12 -0.83 0.02 0.00 0.00 176.35 175.72 2jk4 s GLY 249 N -0.13 2.07 -0.34 -3.19 0.00 -1.26 -1.93 107.32 102.55 2jk4 s GLY 249 Ca -0.02 -0.68 0.02 0.00 0.00 0.00 0.00 44.72 44.04 2jk4 s GLY 249 CO -0.00 -0.14 0.09 -0.19 0.00 0.00 0.00 173.10 172.86 2jk4 s TYR 250 N -0.32 2.66 -0.05 1.90 4.12 -0.95 0.22 117.35 124.93 2jk4 s TYR 250 Ca 0.11 -2.38 -0.20 0.00 0.02 0.00 0.00 57.07 54.63 2jk4 s TYR 250 Cb -0.12 -2.29 -0.05 0.00 -1.52 0.00 0.00 41.96 37.99 2jk4 s TYR 250 CO 0.01 -0.90 0.56 0.99 0.02 0.00 0.00 175.55 176.23 2jk4 s THR 251 N 1.16 5.02 -0.01 -0.71 2.01 0.24 -1.64 115.64 121.71 2jk4 s THR 251 Ca 0.11 1.15 0.03 0.00 0.31 0.00 0.00 61.69 63.29 2jk4 s THR 251 Cb -0.19 -3.89 -0.01 0.00 0.01 0.00 0.00 72.50 68.42 2jk4 s THR 251 CO -0.15 0.38 -0.09 -1.10 -0.69 0.00 0.00 174.62 172.97 2jk4 s GLN 252 N 0.10 0.75 -0.04 4.92 1.11 -1.14 -0.63 119.66 124.72 2jk4 s GLN 252 Ca 0.30 -0.34 0.07 0.00 0.01 0.00 0.00 55.36 55.39 2jk4 s GLN 252 Cb -0.17 -0.73 -0.01 0.00 -1.01 0.00 0.00 33.01 31.09 2jk4 s GLN 252 CO 0.15 0.20 -0.25 0.99 0.01 0.00 0.00 175.29 176.39 2jk4 s THR 253 N -0.24 2.04 -0.54 -0.19 2.01 0.29 -2.78 115.64 116.23 2jk4 s THR 253 Ca 0.03 -1.08 0.06 0.00 0.31 0.00 0.00 61.69 61.02 2jk4 s THR 253 Cb -0.04 -1.71 0.34 0.00 0.01 0.00 0.00 72.50 71.10 2jk4 s THR 253 CO -0.00 0.57 0.92 0.18 -0.69 0.00 0.00 174.62 175.60 2jk4 n LEU 254 N 2.77 3.92 -0.63 4.42 4.77 -1.10 -4.64 117.00 126.51 2jk4 n LEU 254 Ca -0.17 -5.57 0.06 0.00 -0.03 0.00 0.00 56.01 50.30 2jk4 n LEU 254 Cb 0.52 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 2jk4 n LEU 254 CO 0.25 2.34 -0.11 1.17 -1.33 0.00 0.00 177.39 179.71 2jk4 n LYS 255 N -0.17 -0.90 0.00 3.23 3.00 -1.25 -4.48 118.16 117.58 2jk4 n LYS 255 Ca 0.30 0.64 0.00 0.00 -0.00 0.00 0.00 58.31 59.25 2jk4 n LYS 255 Cb 0.44 -1.29 0.00 0.00 0.00 0.00 0.00 35.03 34.18 2jk4 n LYS 255 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2jk4 n PRO 256 N -2.22 0.00 -0.00 1.64 -0.05 -1.26 -2.39 135.00 130.72 2jk4 n PRO 256 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 2jk4 n PRO 256 Cb 0.55 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 34.00 2jk4 n PRO 256 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2jk4 n GLY 257 N 0.00 -1.32 3.62 0.55 0.00 -1.26 -5.02 105.19 101.77 2jk4 n GLY 257 Ca 0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2jk4 n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jk4 s ILE 258 N -0.07 4.64 -0.02 -0.61 1.01 -1.00 -2.56 121.20 122.59 2jk4 s ILE 258 Ca 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.55 2jk4 s ILE 258 Cb 0.00 -3.07 0.01 0.00 0.01 0.00 0.00 42.46 39.41 2jk4 s ILE 258 CO 0.01 0.48 0.06 -0.75 0.00 0.00 0.00 174.94 174.73 2jk4 s LYS 259 N 0.24 0.05 -0.18 2.79 2.20 -0.53 -2.73 119.74 121.59 2jk4 s LYS 259 Ca 0.03 0.12 -0.00 0.00 -0.36 0.00 0.00 55.97 55.76 2jk4 s LYS 259 Cb -0.13 -0.03 0.01 0.00 -1.51 0.00 0.00 37.83 36.17 2jk4 s LYS 259 CO 0.01 -0.05 -0.15 -1.17 -0.36 0.00 0.00 175.35 173.63 2jk4 s LEU 260 N 0.30 2.42 -0.13 5.43 2.96 -1.12 -0.69 118.68 127.86 2jk4 s LEU 260 Ca -0.02 -0.53 0.02 0.00 -0.22 0.00 0.00 54.13 53.38 2jk4 s LEU 260 Cb -0.03 -1.57 0.00 0.00 0.50 0.00 0.00 46.19 45.09 2jk4 s LEU 260 CO -0.01 0.02 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.94 2jk4 s THR 261 N 1.20 2.23 -0.03 3.68 2.01 -0.05 -2.90 115.64 121.78 2jk4 s THR 261 Ca 0.02 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 61.11 2jk4 s THR 261 Cb -0.14 -1.89 0.00 0.00 0.01 0.00 0.00 72.50 70.48 2jk4 s THR 261 CO -0.07 0.55 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.55 2jk4 s LEU 262 N 0.61 1.81 0.20 4.42 1.43 -0.66 -0.08 118.68 126.42 2jk4 s LEU 262 Ca -0.11 -0.21 -0.05 0.00 -1.03 0.00 0.00 54.13 52.73 2jk4 s LEU 262 Cb -0.16 -0.60 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 2jk4 s LEU 262 CO 0.03 0.08 0.23 -0.55 0.23 0.00 0.00 176.35 176.36 2jk4 s SER 263 N 0.16 0.09 0.18 2.29 0.15 -0.98 -2.24 113.70 113.35 2jk4 s SER 263 Ca -0.03 -1.19 -0.22 0.00 0.70 0.00 0.00 55.95 55.21 2jk4 s SER 263 Cb -0.09 0.43 0.06 0.00 -1.71 0.00 0.00 66.02 64.71 2jk4 s SER 263 CO 0.01 -0.91 0.60 0.00 1.20 0.00 0.00 173.24 174.14 2jk4 s ALA 264 N -4.09 -1.49 -0.04 5.45 0.00 -0.81 -0.59 121.76 120.19 2jk4 s ALA 264 Ca 0.31 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.63 2jk4 s ALA 264 Cb 0.05 0.87 -0.00 0.00 0.00 0.00 0.00 23.12 24.04 2jk4 s ALA 264 CO 0.09 -0.80 -0.16 -1.17 0.00 0.00 0.00 175.76 173.72 2jk4 s LEU 265 N -2.78 1.91 -0.20 0.00 2.96 -1.05 -0.80 118.68 118.72 2jk4 s LEU 265 Ca 0.03 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 53.61 2jk4 s LEU 265 Cb -0.02 -0.88 0.06 0.00 0.50 0.00 0.00 46.19 45.85 2jk4 s LEU 265 CO -0.10 0.15 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.30 2jk4 s LEU 266 N -0.00 1.83 -0.70 -0.68 1.02 -0.32 -3.06 118.68 116.78 2jk4 s LEU 266 Ca -0.02 -0.92 0.01 0.00 0.02 0.00 0.00 54.13 53.21 2jk4 s LEU 266 Cb -0.10 -0.90 0.38 0.00 0.02 0.00 0.00 46.19 45.59 2jk4 s LEU 266 CO 0.01 -0.25 1.71 -0.67 0.02 0.00 0.00 176.35 177.17 2jk4 n ASP 267 N 4.86 6.54 0.00 2.29 2.03 -1.18 -3.66 116.55 127.43 2jk4 n ASP 267 Ca -0.11 -3.80 0.00 0.00 0.52 0.00 0.00 54.79 51.41 2jk4 n ASP 267 Cb 0.46 -0.85 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 2jk4 n ASP 267 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jk4 n GLY 268 N -0.53 1.99 2.69 0.27 0.00 -1.26 -4.17 105.19 104.19 2jk4 n GLY 268 Ca 0.49 -0.53 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 2jk4 n GLY 268 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jk4 n LYS 269 N 8.94 1.24 -2.30 1.61 5.02 -1.26 -4.88 118.16 126.53 2jk4 n LYS 269 Ca 0.00 -2.09 -0.35 0.00 -2.02 0.00 0.00 58.31 53.85 2jk4 n LYS 269 Cb 0.00 -0.28 -0.00 0.00 -0.02 0.00 0.00 35.03 34.72 2jk4 n LYS 269 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2jk4 s ASN 270 N -1.69 5.85 -0.22 4.39 0.02 -0.84 -5.01 114.94 117.45 2jk4 s ASN 270 Ca 0.21 2.10 -0.14 0.00 -1.02 0.00 0.00 52.86 54.01 2jk4 s ASN 270 Cb 0.42 -2.57 -0.09 0.00 0.02 0.00 0.00 41.25 39.02 2jk4 s ASN 270 CO -0.07 -1.13 -0.33 0.55 0.02 0.00 0.00 177.10 176.15 2jk4 n VAL 271 N -1.28 1.43 0.76 1.60 3.14 -1.26 -4.18 118.33 118.53 2jk4 n VAL 271 Ca 0.11 -0.17 0.12 0.00 -2.96 0.00 0.00 64.34 61.44 2jk4 n VAL 271 Cb 0.51 -2.00 0.14 0.00 -1.06 0.00 0.00 33.84 31.42 2jk4 n VAL 271 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2jk4 n ASN 272 N -4.23 3.13 -0.08 6.55 5.03 -1.26 -4.56 115.26 119.85 2jk4 n ASN 272 Ca -0.37 -1.99 -0.15 0.00 0.87 0.00 0.00 54.58 52.95 2jk4 n ASN 272 Cb 0.72 -0.08 -0.05 0.00 -1.02 0.00 0.00 39.78 39.35 2jk4 n ASN 272 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2jk4 n ALA 273 N 1.38 1.65 0.00 5.41 0.00 -1.26 -5.13 120.51 122.55 2jk4 n ALA 273 Ca 0.16 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2jk4 n ALA 273 Cb 0.60 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.23 2jk4 n ALA 273 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jk4 n GLY 274 N 1.90 0.17 0.00 0.00 0.00 -1.26 -5.06 105.19 100.94 2jk4 n GLY 274 Ca -0.27 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2jk4 n GLY 274 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jk4 n GLY 275 N -0.09 5.48 3.01 -0.02 0.00 -1.26 -1.98 105.19 110.33 2jk4 n GLY 275 Ca 0.00 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 2jk4 n GLY 275 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jk4 s HIS 276 N 2.14 2.79 -0.01 1.61 3.76 -1.26 -3.12 115.29 121.20 2jk4 s HIS 276 Ca 0.00 -1.99 0.05 0.00 -0.15 0.00 0.00 55.06 52.97 2jk4 s HIS 276 Cb 0.00 -1.74 -0.01 0.00 1.11 0.00 0.00 32.58 31.93 2jk4 s HIS 276 CO 0.00 -0.82 -0.17 0.15 -0.85 0.00 0.00 174.74 173.05 2jk4 s LYS 277 N 1.26 1.36 0.21 1.40 3.01 -1.17 -5.02 119.74 120.79 2jk4 s LYS 277 Ca -0.07 -0.61 0.07 0.00 -1.01 0.00 0.00 55.97 54.36 2jk4 s LYS 277 Cb -0.19 -1.32 -0.04 0.00 -1.01 0.00 0.00 37.83 35.27 2jk4 s LYS 277 CO -0.06 0.36 0.07 -1.17 0.51 0.00 0.00 175.35 175.06 2jk4 s LEU 278 N -0.42 3.49 0.06 3.17 0.20 -1.25 -2.52 118.68 121.41 2jk4 s LEU 278 Ca 0.06 -0.37 0.09 0.00 0.69 0.00 0.00 54.13 54.61 2jk4 s LEU 278 Cb -0.07 -2.08 -0.03 0.00 -0.43 0.00 0.00 46.19 43.58 2jk4 s LEU 278 CO -0.01 0.04 -0.25 -0.83 -0.29 0.00 0.00 176.35 175.01 2jk4 s GLY 279 N -3.33 1.46 0.02 7.98 0.00 0.77 -3.61 107.32 110.61 2jk4 s GLY 279 Ca 0.30 -1.29 0.08 0.00 0.00 0.00 0.00 44.72 43.81 2jk4 s GLY 279 CO 0.21 -1.19 -0.23 1.08 0.00 0.00 0.00 173.10 172.97 2jk4 s LEU 280 N -1.40 2.12 -0.03 0.66 1.43 -0.81 -2.33 118.68 118.32 2jk4 s LEU 280 Ca 0.13 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 2jk4 s LEU 280 Cb -0.10 -1.13 0.03 0.00 0.03 0.00 0.00 46.19 45.02 2jk4 s LEU 280 CO 0.03 0.23 -0.01 -0.83 0.23 0.00 0.00 176.35 176.01 2jk4 s GLY 281 N -0.95 0.28 0.07 -3.19 0.00 0.89 -2.61 107.32 101.80 2jk4 s GLY 281 Ca 0.09 0.13 0.07 0.00 0.00 0.00 0.00 44.72 45.01 2jk4 s GLY 281 CO 0.01 0.58 -0.20 1.08 0.00 0.00 0.00 173.10 174.57 2jk4 s LEU 282 N 1.01 2.22 -0.23 0.66 1.02 -1.14 -0.88 118.68 121.34 2jk4 s LEU 282 Ca -0.10 -0.58 -0.04 0.00 0.02 0.00 0.00 54.13 53.43 2jk4 s LEU 282 Cb -0.14 -0.88 0.09 0.00 0.02 0.00 0.00 46.19 45.28 2jk4 s LEU 282 CO -0.01 0.10 0.15 -0.70 0.02 0.00 0.00 176.35 175.91 2jk4 s GLU 283 N -1.47 0.16 -0.29 1.70 -6.30 0.14 -1.50 118.70 111.14 2jk4 s GLU 283 Ca 0.06 -0.19 -0.09 0.00 -2.50 0.00 0.00 54.97 52.25 2jk4 s GLU 283 Cb -0.09 -1.33 -0.02 0.00 0.00 0.00 0.00 34.13 32.69 2jk4 s GLU 283 CO 0.03 -0.83 0.13 0.12 0.02 0.00 0.00 175.26 174.73 2jk4 s PHE 284 N 2.19 3.16 0.00 5.30 5.36 -1.02 -1.45 117.98 131.52 2jk4 s PHE 284 Ca 0.06 -0.45 0.00 0.00 -0.96 0.00 0.00 56.93 55.59 2jk4 s PHE 284 Cb -0.16 -2.32 0.00 0.00 -0.34 0.00 0.00 43.02 40.20 2jk4 s PHE 284 CO -0.22 -0.39 0.00 0.94 -1.46 0.00 0.00 175.22 174.09 2jk4 n GLN 285 N 4.97 2.33 -1.36 10.12 7.27 -1.06 -1.38 117.38 138.28 2jk4 n GLN 285 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.92 2jk4 n GLN 285 Cb 0.50 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.15 2jk4 n GLN 285 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2jk4 n ALA 286 N -3.00 0.00 -0.49 1.69 0.00 -1.05 -4.86 120.51 112.81 2jk4 n ALA 286 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jk4 n ALA 286 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2jk4 n ALA 286 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2jk4 n ARG 287 N 0.00 0.00 -0.15 0.00 0.63 -1.26 -4.86 116.66 111.02 2jk4 n ARG 287 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2jk4 n ARG 287 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2jk4 n ARG 287 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55