#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jix n PHE 11 N 0.00 0.00 -0.33 5.64 7.35 -1.26 -1.60 117.46 127.26 2jix n PHE 11 Ca 0.00 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.86 2jix n PHE 11 Cb 0.00 -0.40 0.34 0.00 0.35 0.00 0.00 39.48 39.77 2jix n PHE 11 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2jix n GLU 12 N -1.70 -0.07 0.18 -4.13 0.00 -1.26 -0.12 120.64 113.53 2jix n GLU 12 Ca 0.00 1.45 -0.15 0.00 0.00 0.00 0.00 57.16 58.46 2jix n GLU 12 Cb 0.00 -2.35 -0.08 0.00 0.00 0.00 0.00 31.44 29.01 2jix n GLU 12 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2jix h SER 13 N 0.00 -0.35 1.14 4.31 4.64 -1.99 0.11 113.55 121.40 2jix h SER 13 Ca 0.64 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.91 2jix h SER 13 Cb 1.39 0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.57 2jix h SER 13 CO -0.89 -0.20 -0.08 0.11 -0.87 0.00 0.00 176.83 174.90 2jix h LYS 14 N -0.48 0.00 0.23 4.77 1.57 0.48 0.60 116.57 123.74 2jix h LYS 14 Ca -0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2jix h LYS 14 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2jix h LYS 14 CO 0.07 0.08 -0.11 0.00 -0.57 0.00 0.00 179.45 178.92 2jix h ALA 15 N 1.92 -0.32 -0.51 3.86 0.00 -0.52 -3.24 119.26 120.45 2jix h ALA 15 Ca -0.00 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.83 2jix h ALA 15 Cb 0.67 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 2jix h ALA 15 CO 0.01 -0.50 0.02 0.00 0.00 0.00 0.00 179.25 178.77 2jix h ALA 16 N -0.02 0.50 -0.97 0.00 0.00 0.32 -0.96 119.26 118.13 2jix h ALA 16 Ca -0.03 0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.19 2jix h ALA 16 Cb 0.47 0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 2jix h ALA 16 CO 0.05 -0.38 0.61 1.25 0.00 0.00 0.00 179.25 180.79 2jix h LEU 17 N 0.13 0.76 0.15 0.00 6.46 -1.02 -2.89 115.31 118.90 2jix h LEU 17 Ca 0.26 0.06 -0.30 0.00 -0.12 0.00 0.00 57.88 57.78 2jix h LEU 17 Cb 0.39 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 2jix h LEU 17 CO -0.42 0.34 -1.52 -0.07 -0.62 0.00 0.00 178.44 176.16 2jix h LEU 18 N 0.78 0.48 -0.20 2.25 3.38 -1.38 -3.30 115.31 117.32 2jix h LEU 18 Ca 0.52 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2jix h LEU 18 Cb 0.78 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2jix h LEU 18 CO -0.29 1.68 0.28 0.00 0.09 0.00 0.00 178.44 180.20 2jix n ALA 19 N -2.91 0.51 0.50 1.53 0.00 -0.44 -2.33 120.51 117.37 2jix n ALA 19 Ca -0.24 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2jix n ALA 19 Cb 0.97 -0.54 0.01 0.00 0.00 0.00 0.00 19.45 19.88 2jix n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jix n ALA 20 N -1.32 1.75 -3.63 0.00 0.00 -1.19 -4.67 120.51 111.45 2jix n ALA 20 Ca -0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 2jix n ALA 20 Cb 0.29 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.68 2jix n ALA 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2jix s ARG 21 N -2.00 0.25 0.00 0.00 3.52 -0.98 -5.15 118.95 114.59 2jix s ARG 21 Ca 0.01 0.15 0.00 0.00 -0.13 0.00 0.00 55.73 55.76 2jix s ARG 21 Cb 0.00 0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.51 2jix s ARG 21 CO 0.00 -0.06 0.00 0.41 -0.81 0.00 0.00 175.30 174.85 2jix n GLY 22 N 1.14 -2.39 0.00 8.12 0.00 -1.26 -4.99 105.19 105.81 2jix n GLY 22 Ca -0.07 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2jix n GLY 22 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jix n PRO 23 N 0.66 0.00 -0.72 1.61 -0.04 -1.26 -4.33 135.00 130.93 2jix n PRO 23 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 2jix n PRO 23 Cb 0.00 -0.23 0.06 0.00 -0.04 0.00 0.00 33.50 33.29 2jix n PRO 23 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jix n GLU 24 N 0.00 1.68 -3.32 0.54 -0.58 -1.26 -4.79 120.64 112.91 2jix n GLU 24 Ca 0.00 -1.48 -0.33 0.00 -0.42 0.00 0.00 57.16 54.93 2jix n GLU 24 Cb 0.00 -1.58 -0.06 0.00 -0.57 0.00 0.00 31.44 29.23 2jix n GLU 24 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2jix s GLU 25 N -1.67 3.92 -0.09 3.49 2.12 -1.26 -4.93 118.70 120.29 2jix s GLU 25 Ca 0.29 0.46 -0.23 0.00 0.36 0.00 0.00 54.97 55.85 2jix s GLU 25 Cb 0.23 -2.69 -0.03 0.00 0.26 0.00 0.00 34.13 31.90 2jix s GLU 25 CO 0.03 0.33 0.68 -1.17 -0.54 0.00 0.00 175.26 174.59 2jix s LEU 26 N -2.57 4.29 -0.42 2.70 2.96 -1.26 -4.56 118.68 119.83 2jix s LEU 26 Ca 0.46 1.12 0.03 0.00 -0.22 0.00 0.00 54.13 55.52 2jix s LEU 26 Cb -0.12 -3.04 0.12 0.00 0.50 0.00 0.00 46.19 43.65 2jix s LEU 26 CO 0.20 -0.13 0.17 -0.76 -1.32 0.00 0.00 176.35 174.50 2jix s LEU 27 N 0.94 3.70 0.34 -0.68 1.43 0.93 -4.93 118.68 120.41 2jix s LEU 27 Ca 0.36 -2.45 -0.26 0.00 -1.03 0.00 0.00 54.13 50.75 2jix s LEU 27 Cb -0.17 -1.36 -0.10 0.00 0.03 0.00 0.00 46.19 44.59 2jix s LEU 27 CO 0.16 -0.31 0.96 0.00 0.23 0.00 0.00 176.35 177.39 2jix s PHE 29 N -1.64 1.09 -0.00 0.00 -0.71 0.28 -4.93 117.98 112.07 2jix s PHE 29 Ca 0.52 -1.28 0.00 0.00 -1.04 0.00 0.00 56.93 55.12 2jix s PHE 29 Cb -0.19 -0.35 0.00 0.00 -1.21 0.00 0.00 43.02 41.28 2jix s PHE 29 CO 0.24 -0.85 0.00 -0.08 -1.34 0.00 0.00 175.22 173.19 2jix s THR 30 N -3.79 0.01 0.00 -4.49 -1.32 -1.01 0.68 115.64 105.73 2jix s THR 30 Ca 0.34 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.84 2jix s THR 30 Cb 0.03 -0.04 0.00 0.00 -1.51 0.00 0.00 72.50 70.99 2jix s THR 30 CO 0.16 0.02 0.00 -0.62 -2.21 0.00 0.00 174.62 171.97 2jix n GLU 31 N 3.21 0.00 -0.61 7.08 1.02 -1.26 0.22 120.64 130.30 2jix n GLU 31 Ca -0.14 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.02 2jix n GLU 31 Cb 0.59 -0.17 0.24 0.00 -0.02 0.00 0.00 31.44 32.08 2jix n GLU 31 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2jix n ARG 32 N -1.09 3.31 -3.30 3.49 1.74 -1.26 -4.47 116.66 115.08 2jix n ARG 32 Ca 0.00 -2.03 -0.24 0.00 -0.77 0.00 0.00 57.85 54.82 2jix n ARG 32 Cb 0.00 -1.97 0.04 0.00 -1.02 0.00 0.00 32.46 29.51 2jix n ARG 32 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2jix n LEU 33 N 0.28 -2.77 -0.00 0.55 4.77 -1.26 -4.66 117.00 113.91 2jix n LEU 33 Ca 0.21 -0.41 -0.00 0.00 -0.03 0.00 0.00 56.01 55.77 2jix n LEU 33 Cb 0.92 -2.88 -0.00 0.00 -2.33 0.00 0.00 43.42 39.12 2jix n LEU 33 CO 0.23 0.37 -0.52 -1.84 -1.33 0.00 0.00 177.39 174.30 2jix n GLU 34 N -4.35 0.01 -4.21 3.23 0.28 -1.26 -5.04 120.64 109.30 2jix n GLU 34 Ca -0.05 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.65 2jix n GLU 34 Cb 0.59 -0.81 -0.17 0.00 1.43 0.00 0.00 31.44 32.49 2jix n GLU 34 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 2jix s ASP 35 N -4.47 2.63 0.59 -1.84 1.47 -1.26 -3.15 116.67 110.63 2jix s ASP 35 Ca -0.01 -0.47 -0.18 0.00 1.18 0.00 0.00 52.55 53.07 2jix s ASP 35 Cb 0.00 -1.17 -0.04 0.00 -0.34 0.00 0.00 42.92 41.38 2jix s ASP 35 CO 0.01 -0.02 1.13 -0.22 0.68 0.00 0.00 175.17 176.75 2jix s LEU 36 N 1.27 3.62 -0.04 2.11 2.96 -1.25 -4.09 118.68 123.25 2jix s LEU 36 Ca 0.00 2.13 -0.02 0.00 -0.22 0.00 0.00 54.13 56.03 2jix s LEU 36 Cb -0.14 -4.57 0.03 0.00 0.50 0.00 0.00 46.19 42.01 2jix s LEU 36 CO -0.07 -1.40 0.06 0.54 -1.32 0.00 0.00 176.35 174.16 2jix s VAL 37 N -1.96 -0.10 0.00 1.68 0.11 0.21 -2.56 120.40 117.79 2jix s VAL 37 Ca 0.71 0.40 -0.09 0.00 -2.93 0.00 0.00 61.98 60.07 2jix s VAL 37 Cb -0.23 -0.14 -0.05 0.00 -1.53 0.00 0.00 36.38 34.43 2jix s VAL 37 CO 0.32 0.17 0.31 0.00 -3.33 0.00 0.00 175.10 172.57 2jix s PHE 39 N -1.23 -0.54 0.24 0.00 -0.71 -1.00 -2.32 117.98 112.41 2jix s PHE 39 Ca 0.26 0.46 -0.15 0.00 -1.04 0.00 0.00 56.93 56.45 2jix s PHE 39 Cb -0.14 0.53 0.01 0.00 -1.21 0.00 0.00 43.02 42.21 2jix s PHE 39 CO 0.14 -0.77 0.53 1.67 -1.34 0.00 0.00 175.22 175.46 2jix s TRP 40 N -3.19 0.14 0.12 3.49 -2.14 -0.68 -0.05 118.94 116.63 2jix s TRP 40 Ca -0.01 -0.51 0.02 0.00 2.66 0.00 0.00 56.10 58.26 2jix s TRP 40 Cb -0.01 0.34 -0.04 0.00 -3.10 0.00 0.00 33.47 30.65 2jix s TRP 40 CO -0.08 -1.02 -0.05 -1.21 -2.66 0.00 0.00 176.95 171.93 2jix s GLU 41 N -3.96 0.93 0.00 3.25 2.02 -1.26 -1.35 118.70 118.33 2jix s GLU 41 Ca 0.17 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 53.76 2jix s GLU 41 Cb -0.02 -0.26 0.00 0.00 0.10 0.00 0.00 34.13 33.96 2jix s GLU 41 CO 0.05 -0.04 0.00 -1.91 0.02 0.00 0.00 175.26 173.39 2jix n GLU 42 N -0.11 0.00 -2.38 1.61 2.13 -0.80 -4.86 120.64 116.23 2jix n GLU 42 Ca -0.10 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.36 2jix n GLU 42 Cb 0.61 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.31 2jix n GLU 42 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jix s ALA 43 N 0.00 2.90 0.00 4.31 0.00 -1.26 -4.50 121.76 123.21 2jix s ALA 43 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.75 2jix s ALA 43 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2jix s ALA 43 CO 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 175.76 175.24 2jix n ALA 44 N -0.71 0.69 -3.00 0.00 0.00 -1.26 -4.92 120.51 111.31 2jix n ALA 44 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2jix n ALA 44 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2jix n ALA 44 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jix n SER 45 N 0.00 0.00 0.22 0.00 3.41 -1.26 -5.07 113.62 110.92 2jix n SER 45 Ca 0.00 -0.51 0.08 0.00 -0.26 0.00 0.00 58.87 58.18 2jix n SER 45 Cb 0.00 0.00 0.53 0.00 -0.26 0.00 0.00 64.21 64.48 2jix n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jix h ALA 46 N 1.29 1.31 -2.10 7.33 0.00 -2.06 -3.37 119.26 121.68 2jix h ALA 46 Ca 0.00 -0.22 -0.80 0.00 0.00 0.00 0.00 54.91 53.89 2jix h ALA 46 Cb 0.00 -0.04 -0.27 0.00 0.00 0.00 0.00 17.79 17.48 2jix h ALA 46 CO 0.00 0.30 0.74 0.41 0.00 0.00 0.00 179.25 180.70 2jix n GLY 47 N -0.50 4.78 0.00 0.00 0.00 -1.26 -4.92 105.19 103.28 2jix n GLY 47 Ca -0.02 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.40 2jix n GLY 47 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jix n VAL 48 N 1.97 0.00 0.00 1.61 0.24 -1.26 -5.15 118.33 115.74 2jix n VAL 48 Ca 0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.56 2jix n VAL 48 Cb 0.36 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 2jix n VAL 48 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jix n GLY 49 N 0.00 3.08 0.11 7.63 0.00 -1.26 -4.74 105.19 110.00 2jix n GLY 49 Ca 0.00 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 2jix n GLY 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jix h PRO 50 N 0.00 -0.17 0.00 1.61 0.13 -1.95 -1.90 132.00 129.71 2jix h PRO 50 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2jix h PRO 50 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 2jix h PRO 50 CO 0.00 0.05 0.08 0.41 -0.23 0.00 0.00 178.00 178.31 2jix n GLY 51 N -0.62 -0.15 0.10 1.56 0.00 -1.26 -0.70 105.19 104.12 2jix n GLY 51 Ca -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 2jix n GLY 51 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2jix h ASN 52 N 0.00 0.00 -1.99 1.61 -0.73 -1.63 -3.47 115.58 109.37 2jix h ASN 52 Ca 0.00 0.00 -0.59 0.00 1.87 0.00 0.00 56.30 57.58 2jix h ASN 52 Cb 0.16 0.00 -0.11 0.00 0.27 0.00 0.00 38.32 38.63 2jix h ASN 52 CO 0.00 0.77 -0.65 -0.31 -0.37 0.00 0.00 177.43 176.87 2jix s TYR 53 N -2.82 2.51 -0.03 0.67 2.02 0.13 -0.92 117.35 118.90 2jix s TYR 53 Ca 0.02 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.32 2jix s TYR 53 Cb 0.09 -1.37 0.02 0.00 -0.40 0.00 0.00 41.96 40.29 2jix s TYR 53 CO 0.79 0.54 -0.02 0.45 -1.57 0.00 0.00 175.55 175.74 2jix s SER 54 N -3.67 0.61 -0.31 2.29 0.15 0.12 -4.98 113.70 107.91 2jix s SER 54 Ca 0.33 -0.07 0.02 0.00 0.70 0.00 0.00 55.95 56.93 2jix s SER 54 Cb -0.01 -0.27 0.08 0.00 -1.71 0.00 0.00 66.02 64.11 2jix s SER 54 CO 0.18 -0.05 0.00 0.12 1.20 0.00 0.00 173.24 174.69 2jix s PHE 55 N 0.75 3.50 -0.14 3.44 2.19 -1.26 -0.66 117.98 125.79 2jix s PHE 55 Ca -0.08 -2.55 -0.02 0.00 0.33 0.00 0.00 56.93 54.61 2jix s PHE 55 Cb -0.12 -2.49 -0.02 0.00 -1.31 0.00 0.00 43.02 39.08 2jix s PHE 55 CO -0.01 -0.91 -0.09 0.45 1.83 0.00 0.00 175.22 176.49 2jix s SER 56 N 1.12 4.32 0.38 6.13 0.15 0.94 -2.50 113.70 124.24 2jix s SER 56 Ca 0.01 -0.26 0.04 0.00 0.70 0.00 0.00 55.95 56.45 2jix s SER 56 Cb -0.20 -1.68 -0.06 0.00 -1.71 0.00 0.00 66.02 62.38 2jix s SER 56 CO -0.06 0.16 0.05 -0.72 1.20 0.00 0.00 173.24 173.87 2jix s TYR 57 N 0.40 2.07 -0.28 3.44 1.13 -1.21 0.14 117.35 123.04 2jix s TYR 57 Ca -0.08 -0.93 0.01 0.00 -1.41 0.00 0.00 57.07 54.66 2jix s TYR 57 Cb -0.15 -1.43 0.16 0.00 -1.10 0.00 0.00 41.96 39.44 2jix s TYR 57 CO 0.04 0.10 0.44 -1.14 -2.51 0.00 0.00 175.55 172.49 2jix s GLN 58 N -3.82 0.43 -0.50 -3.49 0.74 -0.85 -1.43 119.66 110.75 2jix s GLN 58 Ca 0.31 0.42 -0.29 0.00 0.05 0.00 0.00 55.36 55.85 2jix s GLN 58 Cb 0.07 -0.19 -0.30 0.00 1.10 0.00 0.00 33.01 33.69 2jix s GLN 58 CO 0.15 -0.86 1.82 1.28 -0.55 0.00 0.00 175.29 177.13 2jix n LEU 59 N 5.37 1.45 -0.65 3.68 4.77 -1.26 -3.18 117.00 127.19 2jix n LEU 59 Ca -0.00 -2.03 0.00 0.00 -0.03 0.00 0.00 56.01 53.94 2jix n LEU 59 Cb 0.50 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 2jix n LEU 59 CO 0.01 -2.47 -0.02 1.21 -1.33 0.00 0.00 177.39 174.80 2jix n GLU 60 N 7.99 -0.21 -0.32 3.23 2.13 -1.26 -3.91 120.64 128.28 2jix n GLU 60 Ca 0.45 0.22 0.00 0.00 0.66 0.00 0.00 57.16 58.49 2jix n GLU 60 Cb 0.44 -0.16 0.00 0.00 0.27 0.00 0.00 31.44 31.99 2jix n GLU 60 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2jix n ASP 61 N 1.32 -0.30 -4.81 4.31 8.00 -1.26 -5.08 116.55 118.72 2jix n ASP 61 Ca 0.00 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 2jix n ASP 61 Cb 0.02 -0.05 0.08 0.00 -0.02 0.00 0.00 41.12 41.14 2jix n ASP 61 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2jix s GLU 62 N -0.68 2.03 0.32 -1.24 8.01 -1.25 -5.07 118.70 120.82 2jix s GLU 62 Ca 0.00 -1.08 -0.29 0.00 0.01 0.00 0.00 54.97 53.61 2jix s GLU 62 Cb 0.00 -2.42 -0.11 0.00 -4.31 0.00 0.00 34.13 27.29 2jix s GLU 62 CO 0.00 -1.14 1.51 -1.25 0.01 0.00 0.00 175.26 174.40 2jix s PRO 63 N -4.96 4.16 0.74 0.39 0.04 -1.26 -4.89 135.00 129.21 2jix s PRO 63 Ca 0.63 2.51 -0.15 0.00 0.04 0.00 0.00 61.00 64.02 2jix s PRO 63 Cb -0.07 -3.02 0.04 0.00 0.04 0.00 0.00 34.50 31.49 2jix s PRO 63 CO 0.42 -0.53 1.23 -1.58 0.04 0.00 0.00 177.00 176.57 2jix s TRP 64 N -0.46 1.96 0.00 0.56 0.52 -1.26 -4.88 118.94 115.38 2jix s TRP 64 Ca 0.58 1.60 0.00 0.00 0.02 0.00 0.00 56.10 58.30 2jix s TRP 64 Cb -0.46 -3.54 0.00 0.00 -1.15 0.00 0.00 33.47 28.32 2jix s TRP 64 CO 0.53 -2.79 0.00 1.63 0.02 0.00 0.00 176.95 176.34 2jix n LYS 65 N -2.71 0.64 -3.58 4.98 5.02 -0.51 -4.92 118.16 117.08 2jix n LYS 65 Ca 0.14 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.14 2jix n LYS 65 Cb 0.50 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.36 2jix n LYS 65 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jix s LEU 66 N 0.00 1.08 -0.70 -0.35 1.02 -1.25 -3.29 118.68 115.18 2jix s LEU 66 Ca 0.00 -1.56 -0.26 0.00 0.02 0.00 0.00 54.13 52.33 2jix s LEU 66 Cb 0.00 -0.50 -0.25 0.00 0.02 0.00 0.00 46.19 45.46 2jix s LEU 66 CO 0.00 -0.41 1.86 0.00 0.02 0.00 0.00 176.35 177.83 2jix s ARG 68 N 7.78 4.30 0.70 0.00 3.00 -1.26 -4.66 118.95 128.81 2jix s ARG 68 Ca 0.71 1.44 -0.16 0.00 -1.00 0.00 0.00 55.73 56.73 2jix s ARG 68 Cb 0.01 -3.63 0.02 0.00 0.00 0.00 0.00 34.95 31.35 2jix s ARG 68 CO 0.21 -0.55 1.21 -0.51 0.00 0.00 0.00 175.30 175.66 2jix s LEU 69 N 2.88 3.40 -0.23 -0.88 1.43 -1.26 -4.60 118.68 119.41 2jix s LEU 69 Ca 0.48 2.35 -0.09 0.00 -1.03 0.00 0.00 54.13 55.83 2jix s LEU 69 Cb -0.18 -4.59 0.10 0.00 0.03 0.00 0.00 46.19 41.55 2jix s LEU 69 CO 0.12 -2.08 0.52 -1.00 0.23 0.00 0.00 176.35 174.13 2jix s HIS 70 N -1.91 -0.95 0.17 0.29 3.76 -0.90 -4.97 115.29 110.78 2jix s HIS 70 Ca 0.75 1.79 -0.03 0.00 -0.15 0.00 0.00 55.06 57.41 2jix s HIS 70 Cb -0.29 0.48 -0.05 0.00 1.11 0.00 0.00 32.58 33.83 2jix s HIS 70 CO 0.42 -0.52 0.39 -1.14 -0.85 0.00 0.00 174.74 173.05 2jix s GLN 71 N 2.37 3.58 -0.10 1.40 0.74 -1.26 -1.84 119.66 124.56 2jix s GLN 71 Ca -0.05 -0.17 -0.28 0.00 0.05 0.00 0.00 55.36 54.91 2jix s GLN 71 Cb -0.11 -2.83 0.06 0.00 1.10 0.00 0.00 33.01 31.24 2jix s GLN 71 CO -0.15 0.42 0.64 0.00 -0.55 0.00 0.00 175.29 175.65 2jix s ALA 72 N -1.77 -1.65 -0.16 1.58 0.00 -0.64 -5.00 121.76 114.12 2jix s ALA 72 Ca 0.40 1.38 -0.15 0.00 0.00 0.00 0.00 51.96 53.59 2jix s ALA 72 Cb -0.12 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 2jix s ALA 72 CO 0.27 -0.35 0.36 -1.25 0.00 0.00 0.00 175.76 174.79 2jix s PRO 73 N -0.80 4.26 0.24 0.00 0.04 -1.26 -0.88 135.00 136.60 2jix s PRO 73 Ca -0.08 0.21 -0.30 0.00 0.04 0.00 0.00 61.00 60.87 2jix s PRO 73 Cb -0.02 -3.45 -0.09 0.00 0.04 0.00 0.00 34.50 30.98 2jix s PRO 73 CO 0.07 0.15 1.04 0.95 0.04 0.00 0.00 177.00 179.26 2jix s THR 74 N 0.70 3.78 0.50 1.26 -4.23 0.62 -4.91 115.64 113.35 2jix s THR 74 Ca 0.19 1.73 0.30 0.00 -1.18 0.00 0.00 61.69 62.74 2jix s THR 74 Cb -0.14 -4.10 0.49 0.00 1.34 0.00 0.00 72.50 70.10 2jix s THR 74 CO 0.06 0.39 1.81 0.00 -0.54 0.00 0.00 174.62 176.34 2jix h ALA 75 N 4.23 2.82 0.00 3.99 0.00 -1.98 0.97 119.26 129.28 2jix h ALA 75 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2jix h ALA 75 Cb 1.21 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2jix h ALA 75 CO 0.68 -1.16 0.00 -2.13 0.00 0.00 0.00 179.25 176.64 2jix n ARG 76 N -4.33 0.31 -2.36 0.00 0.00 -1.26 -4.80 116.66 104.21 2jix n ARG 76 Ca 0.24 0.01 -0.01 0.00 -0.00 0.00 0.00 57.85 58.09 2jix n ARG 76 Cb 1.09 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 32.06 2jix n ARG 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jix n GLY 77 N -0.38 0.65 0.00 5.14 0.00 0.33 -5.07 105.19 105.87 2jix n GLY 77 Ca 0.07 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2jix n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jix n ALA 78 N -2.06 0.00 -2.43 4.61 0.00 -1.06 -4.81 120.51 114.76 2jix n ALA 78 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.16 2jix n ALA 78 Cb 0.51 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.82 2jix n ALA 78 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jix s VAL 79 N -1.20 1.85 -0.04 0.00 1.01 -1.26 -0.28 120.40 120.48 2jix s VAL 79 Ca 0.00 -1.30 0.03 0.00 0.00 0.00 0.00 61.98 60.71 2jix s VAL 79 Cb 0.00 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.78 2jix s VAL 79 CO 0.00 0.25 -0.12 -0.60 0.00 0.00 0.00 175.10 174.63 2jix s ARG 80 N -1.25 1.35 -0.07 2.72 3.52 -0.06 -1.90 118.95 123.25 2jix s ARG 80 Ca 0.09 -0.40 0.03 0.00 -0.13 0.00 0.00 55.73 55.33 2jix s ARG 80 Cb -0.09 -1.19 -0.02 0.00 -1.56 0.00 0.00 34.95 32.09 2jix s ARG 80 CO 0.02 0.11 -0.16 -0.06 -0.81 0.00 0.00 175.30 174.40 2jix s PHE 81 N 0.33 2.67 0.30 5.12 0.08 -0.45 -1.62 117.98 124.40 2jix s PHE 81 Ca -0.07 -0.41 -0.07 0.00 0.12 0.00 0.00 56.93 56.50 2jix s PHE 81 Cb -0.12 -1.68 0.03 0.00 -0.57 0.00 0.00 43.02 40.68 2jix s PHE 81 CO 0.02 -0.01 0.52 -2.67 -0.10 0.00 0.00 175.22 172.97 2jix n TRP 82 N 2.77 -1.68 0.00 0.36 4.27 -0.77 -1.69 117.44 120.70 2jix n TRP 82 Ca -0.17 -1.69 0.00 0.00 -3.89 0.00 0.00 57.50 51.74 2jix n TRP 82 Cb 0.52 0.60 0.00 0.00 -1.36 0.00 0.00 31.31 31.07 2jix n TRP 82 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2jix n SER 84 N 0.00 1.94 -3.82 0.00 3.41 -1.26 -1.59 113.62 112.30 2jix n SER 84 Ca 0.00 -3.06 -0.12 0.00 -0.26 0.00 0.00 58.87 55.43 2jix n SER 84 Cb 0.00 0.75 -0.13 0.00 -0.26 0.00 0.00 64.21 64.57 2jix n SER 84 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2jix s LEU 85 N 0.00 1.45 1.02 1.04 1.43 -1.06 -4.25 118.68 118.31 2jix s LEU 85 Ca 0.13 0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 53.36 2jix s LEU 85 Cb 0.01 0.48 0.08 0.00 0.03 0.00 0.00 46.19 46.79 2jix s LEU 85 CO 0.09 -0.05 0.35 -0.81 0.23 0.00 0.00 176.35 176.16 2jix n PRO 86 N 3.03 -0.89 -0.06 1.29 -0.04 -1.26 -3.87 135.00 133.20 2jix n PRO 86 Ca -0.13 -0.23 -0.03 0.00 -0.04 0.00 0.00 63.50 63.08 2jix n PRO 86 Cb 0.59 -1.85 -0.02 0.00 -0.04 0.00 0.00 33.50 32.18 2jix n PRO 86 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2jix h THR 87 N -1.83 0.26 -0.57 0.52 2.02 -1.89 -2.95 112.91 108.48 2jix h THR 87 Ca -0.48 -1.21 0.05 0.00 0.77 0.00 0.00 66.41 65.54 2jix h THR 87 Cb 1.31 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 68.18 2jix h THR 87 CO 0.37 0.09 0.30 0.00 0.37 0.00 0.00 175.52 176.65 2jix h ALA 88 N -0.85 0.75 -0.35 6.16 0.00 -1.95 -0.30 119.26 122.72 2jix h ALA 88 Ca -0.01 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.00 2jix h ALA 88 Cb 0.22 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 2jix h ALA 88 CO -0.00 -0.03 -0.15 -0.44 0.00 0.00 0.00 179.25 178.62 2jix h ASP 89 N 0.57 -0.53 -0.95 0.00 5.19 -1.95 -3.35 116.42 115.41 2jix h ASP 89 Ca 0.25 0.13 -0.24 0.00 -0.62 0.00 0.00 57.03 56.56 2jix h ASP 89 Cb 0.15 0.29 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 2jix h ASP 89 CO -0.17 -0.19 0.74 0.42 -3.12 0.00 0.00 179.24 176.92 2jix s THR 90 N -6.17 3.12 -0.35 0.35 -4.23 -0.12 -4.90 115.64 103.34 2jix s THR 90 Ca -0.14 -0.04 -0.02 0.00 -1.18 0.00 0.00 61.69 60.30 2jix s THR 90 Cb 0.14 -3.28 0.08 0.00 1.34 0.00 0.00 72.50 70.77 2jix s THR 90 CO 0.70 -0.27 0.09 -0.44 -0.54 0.00 0.00 174.62 174.16 2jix s SER 91 N 10.49 5.06 1.14 3.99 0.01 -1.26 -4.89 113.70 128.25 2jix s SER 91 Ca 0.87 -1.64 -0.13 0.00 1.31 0.00 0.00 55.95 56.36 2jix s SER 91 Cb -0.13 -1.77 0.25 0.00 0.21 0.00 0.00 66.02 64.59 2jix s SER 91 CO 0.13 -0.39 0.90 -1.20 0.41 0.00 0.00 173.24 173.09 2jix n SER 92 N 4.60 -1.61 0.00 2.44 7.64 -1.26 -3.76 113.62 121.67 2jix n SER 92 Ca -0.07 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.72 2jix n SER 92 Cb 0.42 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 2jix n SER 92 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2jix n PHE 93 N -4.83 0.00 -2.28 1.43 7.35 -1.26 -4.96 117.46 112.91 2jix n PHE 93 Ca 0.04 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.32 2jix n PHE 93 Cb 0.55 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.34 2jix n PHE 93 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 2jix s VAL 94 N -0.05 3.24 1.30 -2.13 1.01 -1.25 -4.91 120.40 117.62 2jix s VAL 94 Ca 0.00 1.10 -0.22 0.00 0.00 0.00 0.00 61.98 62.86 2jix s VAL 94 Cb 0.00 -3.70 0.33 0.00 0.00 0.00 0.00 36.38 33.00 2jix s VAL 94 CO 0.00 0.20 1.06 -2.84 0.00 0.00 0.00 175.10 173.52 2jix s PRO 95 N -0.69 -2.01 -0.27 2.72 0.02 -1.26 -4.39 135.00 129.12 2jix s PRO 95 Ca 0.52 -0.12 -0.17 0.00 0.02 0.00 0.00 61.00 61.25 2jix s PRO 95 Cb -0.35 -1.51 0.08 0.00 0.02 0.00 0.00 34.50 32.73 2jix s PRO 95 CO 0.41 -4.22 0.67 -1.17 -0.33 0.00 0.00 177.00 172.36 2jix s LEU 96 N -7.28 -0.83 -0.04 -5.54 0.20 -1.11 -4.13 118.68 99.95 2jix s LEU 96 Ca 0.71 1.45 0.06 0.00 0.69 0.00 0.00 54.13 57.05 2jix s LEU 96 Cb -0.09 2.31 -0.01 0.00 -0.43 0.00 0.00 46.19 47.97 2jix s LEU 96 CO 0.56 -0.24 -0.23 -1.83 -0.29 0.00 0.00 176.35 174.32 2jix s GLU 97 N 1.39 2.17 0.04 1.98 -1.05 -1.19 -0.27 118.70 121.76 2jix s GLU 97 Ca -0.08 -0.84 0.06 0.00 -0.15 0.00 0.00 54.97 53.95 2jix s GLU 97 Cb -0.05 -1.95 -0.02 0.00 -0.44 0.00 0.00 34.13 31.67 2jix s GLU 97 CO -0.16 0.42 -0.16 -0.48 0.95 0.00 0.00 175.26 175.83 2jix s LEU 98 N -0.31 2.16 -0.14 1.83 0.05 -0.04 -2.00 118.68 120.24 2jix s LEU 98 Ca 0.02 -0.47 0.02 0.00 0.05 0.00 0.00 54.13 53.75 2jix s LEU 98 Cb -0.11 -0.73 0.01 0.00 -2.05 0.00 0.00 46.19 43.31 2jix s LEU 98 CO 0.01 0.08 -0.18 -0.60 -0.55 0.00 0.00 176.35 175.12 2jix s ARG 99 N -1.10 2.63 -0.22 1.48 3.52 0.37 -1.59 118.95 124.04 2jix s ARG 99 Ca 0.04 -0.70 0.01 0.00 -0.13 0.00 0.00 55.73 54.94 2jix s ARG 99 Cb -0.08 -2.22 0.05 0.00 -1.56 0.00 0.00 34.95 31.14 2jix s ARG 99 CO 0.01 -0.09 -0.09 0.08 -0.81 0.00 0.00 175.30 174.41 2jix s VAL 100 N 1.04 1.64 0.24 7.11 1.01 0.88 -0.04 120.40 132.28 2jix s VAL 100 Ca -0.03 -1.13 0.11 0.00 0.00 0.00 0.00 61.98 60.93 2jix s VAL 100 Cb -0.15 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 2jix s VAL 100 CO -0.05 0.06 -0.14 0.42 0.00 0.00 0.00 175.10 175.39 2jix s THR 101 N 1.37 2.83 0.00 3.92 -4.23 0.16 -0.03 115.64 119.67 2jix s THR 101 Ca -0.03 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 2jix s THR 101 Cb -0.17 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.22 2jix s THR 101 CO -0.07 -0.27 0.00 0.00 -0.54 0.00 0.00 174.62 173.74 2jix n ALA 102 N -0.35 0.00 -1.59 3.99 0.00 0.14 0.15 120.51 122.85 2jix n ALA 102 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 2jix n ALA 102 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 2jix n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jix n ALA 103 N -3.00 1.71 0.00 0.00 0.00 -0.10 -2.19 120.51 116.93 2jix n ALA 103 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2jix n ALA 103 Cb 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 19.45 16.51 2jix n ALA 103 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jix n SER 104 N 12.00 0.00 0.00 0.00 3.41 -1.26 -4.47 113.62 123.30 2jix n SER 104 Ca 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 2jix n SER 104 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 2jix n SER 104 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jix n GLY 105 N -1.22 0.48 3.67 5.00 0.00 -0.93 -5.03 105.19 107.16 2jix n GLY 105 Ca 0.00 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 2jix n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jix s ALA 106 N -2.00 3.63 0.02 4.61 0.00 -1.26 -4.81 121.76 121.94 2jix s ALA 106 Ca 0.00 0.74 -0.24 0.00 0.00 0.00 0.00 51.96 52.46 2jix s ALA 106 Cb 0.00 -3.67 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 2jix s ALA 106 CO 0.00 -1.21 0.74 -1.25 0.00 0.00 0.00 175.76 174.05 2jix s PRO 107 N 3.47 4.47 -0.01 0.00 0.04 -1.26 0.26 135.00 141.96 2jix s PRO 107 Ca 0.64 1.01 0.09 0.00 0.04 0.00 0.00 61.00 62.79 2jix s PRO 107 Cb -0.28 -3.38 -0.14 0.00 0.04 0.00 0.00 34.50 30.74 2jix s PRO 107 CO 0.23 0.25 0.21 2.89 0.04 0.00 0.00 177.00 180.62 2jix n ARG 108 N 2.99 0.47 -3.85 4.56 1.85 0.95 -4.92 116.66 118.70 2jix n ARG 108 Ca -0.02 -0.08 -0.12 0.00 -1.00 0.00 0.00 57.85 56.62 2jix n ARG 108 Cb 0.50 -1.21 -0.13 0.00 -1.05 0.00 0.00 32.46 30.58 2jix n ARG 108 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2jix s TYR 109 N -2.61 -0.06 -0.38 2.89 2.02 -0.80 -5.00 117.35 113.43 2jix s TYR 109 Ca -0.03 0.14 0.03 0.00 -0.37 0.00 0.00 57.07 56.84 2jix s TYR 109 Cb 0.06 0.01 0.16 0.00 -0.40 0.00 0.00 41.96 41.79 2jix s TYR 109 CO 0.39 -0.05 0.35 -1.58 -1.57 0.00 0.00 175.55 173.09 2jix s HIS 110 N -0.07 -0.00 0.13 2.71 5.65 -1.26 -0.08 115.29 122.37 2jix s HIS 110 Ca -0.01 -1.14 0.11 0.00 0.25 0.00 0.00 55.06 54.26 2jix s HIS 110 Cb -0.01 -0.53 -0.04 0.00 -1.18 0.00 0.00 32.58 30.82 2jix s HIS 110 CO 0.00 -0.94 -0.27 1.03 -0.65 0.00 0.00 174.74 173.91 2jix s ARG 111 N 1.18 1.40 -0.14 2.88 0.52 -0.62 -4.96 118.95 119.20 2jix s ARG 111 Ca 0.19 -1.35 -0.04 0.00 -0.52 0.00 0.00 55.73 54.01 2jix s ARG 111 Cb -0.15 -1.88 -0.03 0.00 0.52 0.00 0.00 34.95 33.41 2jix s ARG 111 CO -0.03 0.44 0.01 0.08 0.02 0.00 0.00 175.30 175.81 2jix s VAL 112 N -1.10 4.30 -0.03 3.52 1.01 -1.26 -0.86 120.40 125.99 2jix s VAL 112 Ca 0.14 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.92 2jix s VAL 112 Cb -0.10 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.41 2jix s VAL 112 CO 0.06 0.52 -0.06 0.27 0.00 0.00 0.00 175.10 175.89 2jix s ILE 113 N -0.01 0.58 -0.56 2.22 -4.36 0.63 -4.97 121.20 114.73 2jix s ILE 113 Ca 0.03 -0.23 -0.20 0.00 -0.26 0.00 0.00 60.65 59.99 2jix s ILE 113 Cb -0.13 -0.55 0.07 0.00 1.25 0.00 0.00 42.46 43.10 2jix s ILE 113 CO 0.02 0.20 0.74 -1.00 0.24 0.00 0.00 174.94 175.15 2jix s HIS 114 N 0.41 2.94 0.25 1.37 3.76 -1.26 -2.75 115.29 120.01 2jix s HIS 114 Ca -0.06 -0.57 -0.13 0.00 -0.15 0.00 0.00 55.06 54.15 2jix s HIS 114 Cb -0.10 -3.86 0.33 0.00 1.11 0.00 0.00 32.58 30.06 2jix s HIS 114 CO 0.00 -1.24 1.57 0.82 -0.85 0.00 0.00 174.74 175.04 2jix h ILE 115 N 5.92 0.06 0.00 0.60 2.04 -1.91 0.36 117.51 124.58 2jix h ILE 115 Ca -0.28 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.58 2jix h ILE 115 Cb 1.09 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 2jix h ILE 115 CO 1.05 0.00 0.10 -0.46 0.00 0.00 0.00 178.15 178.84 2jix n ASN 116 N -5.53 0.08 -0.76 1.72 2.04 -1.26 -2.86 115.26 108.69 2jix n ASN 116 Ca 0.12 0.45 0.03 0.00 -0.44 0.00 0.00 54.58 54.74 2jix n ASN 116 Cb 0.43 -0.46 0.20 0.00 -2.53 0.00 0.00 39.78 37.43 2jix n ASN 116 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 2jix n GLU 117 N -1.54 1.67 -0.93 -3.83 1.02 0.13 -3.25 120.64 113.91 2jix n GLU 117 Ca -0.00 -3.24 0.01 0.00 -0.02 0.00 0.00 57.16 53.91 2jix n GLU 117 Cb 0.10 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 2jix n GLU 117 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2jix n VAL 118 N -1.13 0.00 -1.65 2.62 0.24 -1.08 -4.29 118.33 113.05 2jix n VAL 118 Ca 0.23 -0.39 -0.43 0.00 -2.04 0.00 0.00 64.34 61.72 2jix n VAL 118 Cb 0.80 0.65 -0.03 0.00 -1.47 0.00 0.00 33.84 33.78 2jix n VAL 118 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2jix n VAL 119 N 0.19 0.67 -4.04 3.34 0.31 -1.10 -2.41 118.33 115.29 2jix n VAL 119 Ca -0.00 -0.21 -0.34 0.00 -0.01 0.00 0.00 64.34 63.79 2jix n VAL 119 Cb 0.86 -2.34 -0.15 0.00 -0.91 0.00 0.00 33.84 31.29 2jix n VAL 119 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2jix s LEU 120 N 5.30 2.50 0.42 7.52 2.96 0.13 -2.84 118.68 134.67 2jix s LEU 120 Ca 0.92 -0.63 -0.05 0.00 -0.22 0.00 0.00 54.13 54.14 2jix s LEU 120 Cb -0.43 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 2jix s LEU 120 CO 0.41 -0.03 0.72 -0.76 -1.32 0.00 0.00 176.35 175.37 2jix s LEU 121 N 1.34 3.78 0.66 -0.68 1.43 -1.26 -4.14 118.68 119.80 2jix s LEU 121 Ca 0.04 0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 53.89 2jix s LEU 121 Cb -0.14 -3.77 -0.01 0.00 0.03 0.00 0.00 46.19 42.30 2jix s LEU 121 CO -0.09 -0.46 1.05 -1.81 0.23 0.00 0.00 176.35 175.27 2jix s ASP 122 N -3.81 5.60 0.51 2.29 1.01 -1.26 -4.31 116.67 116.70 2jix s ASP 122 Ca 0.46 1.62 -0.20 0.00 0.71 0.00 0.00 52.55 55.15 2jix s ASP 122 Cb -0.10 -2.50 -0.07 0.00 1.01 0.00 0.00 42.92 41.26 2jix s ASP 122 CO 0.39 -1.29 1.07 0.00 0.21 0.00 0.00 175.17 175.56 2jix s ALA 123 N -2.95 2.80 1.25 5.23 0.00 -1.26 -4.50 121.76 122.33 2jix s ALA 123 Ca 0.59 0.69 -0.19 0.00 0.00 0.00 0.00 51.96 53.05 2jix s ALA 123 Cb -0.14 -3.29 0.28 0.00 0.00 0.00 0.00 23.12 19.97 2jix s ALA 123 CO 0.51 -0.50 0.95 -2.30 0.00 0.00 0.00 175.76 174.42 2jix n PRO 124 N -1.11 -3.15 -3.53 0.00 -0.02 -1.26 -4.28 135.00 121.65 2jix n PRO 124 Ca 0.10 -1.52 -0.10 0.00 -2.02 0.00 0.00 63.50 59.96 2jix n PRO 124 Cb 0.52 -1.49 -0.03 0.00 -0.02 0.00 0.00 33.50 32.48 2jix n PRO 124 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2jix s VAL 125 N -2.66 0.00 0.00 -1.45 0.11 -0.63 -4.38 120.40 111.39 2jix s VAL 125 Ca 0.63 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.68 2jix s VAL 125 Cb -0.07 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.78 2jix s VAL 125 CO 0.49 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.87 2jix n GLY 126 N 0.11 0.76 3.75 6.54 0.00 -1.26 -0.99 105.19 114.10 2jix n GLY 126 Ca -0.10 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 2jix n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jix s LEU 127 N -0.57 4.40 -0.23 0.99 2.96 -1.26 -4.35 118.68 120.61 2jix s LEU 127 Ca 0.00 2.65 -0.03 0.00 -0.22 0.00 0.00 54.13 56.52 2jix s LEU 127 Cb 0.00 -3.63 0.11 0.00 0.50 0.00 0.00 46.19 43.18 2jix s LEU 127 CO 0.00 -0.65 0.30 0.54 -1.32 0.00 0.00 176.35 175.22 2jix s VAL 128 N -0.22 -0.46 -0.13 1.68 0.11 0.23 -4.99 120.40 116.61 2jix s VAL 128 Ca 0.57 -0.11 -0.10 0.00 -2.93 0.00 0.00 61.98 59.41 2jix s VAL 128 Cb -0.41 -0.76 -0.05 0.00 -1.53 0.00 0.00 36.38 33.64 2jix s VAL 128 CO 0.45 -0.18 0.20 0.00 -3.33 0.00 0.00 175.10 172.24 2jix s ALA 129 N 2.43 3.76 0.02 1.54 0.00 -1.26 -1.47 121.76 126.78 2jix s ALA 129 Ca 0.10 -0.57 -0.05 0.00 0.00 0.00 0.00 51.96 51.44 2jix s ALA 129 Cb -0.16 -2.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.81 2jix s ALA 129 CO -0.15 0.39 0.09 -0.98 0.00 0.00 0.00 175.76 175.11 2jix s ARG 130 N -0.40 0.50 0.82 0.00 1.70 -0.54 -4.96 118.95 116.08 2jix s ARG 130 Ca 0.14 -0.59 -0.11 0.00 -0.47 0.00 0.00 55.73 54.71 2jix s ARG 130 Cb -0.12 0.20 0.09 0.00 -0.57 0.00 0.00 34.95 34.54 2jix s ARG 130 CO 0.04 -0.12 1.10 -0.51 -1.08 0.00 0.00 175.30 174.72 2jix s LEU 131 N -1.72 2.78 -0.42 -1.89 1.43 -1.26 -0.23 118.68 117.37 2jix s LEU 131 Ca -0.11 1.76 -0.13 0.00 -1.03 0.00 0.00 54.13 54.62 2jix s LEU 131 Cb -0.05 -4.35 0.04 0.00 0.03 0.00 0.00 46.19 41.87 2jix s LEU 131 CO -0.01 -2.32 0.30 0.00 0.23 0.00 0.00 176.35 174.54 2jix s ALA 132 N -2.88 3.42 0.00 4.21 0.00 -0.53 -4.70 121.76 121.27 2jix s ALA 132 Ca 0.62 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.70 2jix s ALA 132 Cb -0.18 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.11 2jix s ALA 132 CO 0.57 -1.54 0.09 -3.47 0.00 0.00 0.00 175.76 171.40 2jix n ASP 133 N 5.10 0.24 0.00 0.00 2.03 -1.26 -1.12 116.55 121.53 2jix n ASP 133 Ca -0.11 -0.65 0.00 0.00 0.52 0.00 0.00 54.79 54.54 2jix n ASP 133 Cb 0.45 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 2jix n ASP 133 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2jix n GLU 134 N 1.53 0.00 -0.72 -0.67 0.00 -1.26 -5.17 120.64 114.35 2jix n GLU 134 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.14 2jix n GLU 134 Cb 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 31.44 31.43 2jix n GLU 134 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2jix n SER 135 N 0.00 0.00 -2.18 -1.84 3.41 -0.28 -4.93 113.62 107.80 2jix n SER 135 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 2jix n SER 135 Cb 0.40 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.34 2jix n SER 135 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jix n GLY 136 N 0.00 4.26 3.52 5.00 0.00 -1.26 -4.46 105.19 112.25 2jix n GLY 136 Ca 0.00 -1.50 -0.26 0.00 0.00 0.00 0.00 46.02 44.27 2jix n GLY 136 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jix s HIS 137 N -1.79 2.48 -0.03 1.61 4.02 -1.26 -4.37 115.29 115.94 2jix s HIS 137 Ca 0.45 -0.28 -0.02 0.00 1.02 0.00 0.00 55.06 56.23 2jix s HIS 137 Cb 0.32 -1.17 -0.04 0.00 -1.02 0.00 0.00 32.58 30.67 2jix s HIS 137 CO -0.10 0.57 0.12 0.08 1.02 0.00 0.00 174.74 176.42 2jix s VAL 138 N -1.96 5.07 -0.14 -0.90 1.01 -0.77 -1.46 120.40 121.25 2jix s VAL 138 Ca 0.26 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.03 2jix s VAL 138 Cb -0.07 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 2jix s VAL 138 CO 0.14 0.41 -0.15 -0.69 0.00 0.00 0.00 175.10 174.80 2jix s VAL 139 N -1.19 2.73 -0.11 2.92 1.01 0.68 -0.57 120.40 125.87 2jix s VAL 139 Ca 0.22 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2jix s VAL 139 Cb -0.12 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 2jix s VAL 139 CO 0.13 0.52 -0.17 -0.22 0.00 0.00 0.00 175.10 175.37 2jix s LEU 140 N 0.60 2.52 0.02 3.92 0.20 -0.68 -1.46 118.68 123.79 2jix s LEU 140 Ca -0.09 -0.39 0.04 0.00 0.69 0.00 0.00 54.13 54.38 2jix s LEU 140 Cb -0.16 -1.54 -0.02 0.00 -0.43 0.00 0.00 46.19 44.04 2jix s LEU 140 CO 0.03 0.18 -0.12 -0.13 -0.29 0.00 0.00 176.35 176.02 2jix s ARG 141 N 0.25 0.83 0.28 1.98 0.52 -0.54 -1.69 118.95 120.59 2jix s ARG 141 Ca -0.11 -0.58 -0.01 0.00 -0.52 0.00 0.00 55.73 54.51 2jix s ARG 141 Cb -0.16 -0.80 0.01 0.00 0.52 0.00 0.00 34.95 34.51 2jix s ARG 141 CO 0.06 0.20 0.39 -2.67 0.02 0.00 0.00 175.30 173.31 2jix n TRP 142 N 2.28 -1.24 -4.43 -0.53 2.14 -0.88 -0.60 117.44 114.19 2jix n TRP 142 Ca -0.16 -1.89 -0.22 0.00 2.07 0.00 0.00 57.50 57.30 2jix n TRP 142 Cb 0.56 0.44 -0.13 0.00 -0.81 0.00 0.00 31.31 31.36 2jix n TRP 142 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 2jix s LEU 143 N 0.00 2.18 0.78 5.67 1.43 -0.16 -4.88 118.68 123.70 2jix s LEU 143 Ca 0.23 -0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 52.70 2jix s LEU 143 Cb -0.01 -0.72 0.05 0.00 0.03 0.00 0.00 46.19 45.55 2jix s LEU 143 CO 0.17 0.07 1.08 -0.81 0.23 0.00 0.00 176.35 177.09 2jix n PRO 144 N 1.84 0.32 -1.65 1.29 -0.04 -1.26 -1.60 135.00 133.90 2jix n PRO 144 Ca -0.18 0.18 -0.50 0.00 -0.04 0.00 0.00 63.50 62.96 2jix n PRO 144 Cb 0.54 -2.34 -0.05 0.00 -0.04 0.00 0.00 33.50 31.61 2jix n PRO 144 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2jix n PRO 145 N -2.62 1.67 -1.28 0.54 -0.04 -1.26 -4.55 135.00 127.46 2jix n PRO 145 Ca 0.13 0.61 -0.36 0.00 -0.04 0.00 0.00 63.50 63.84 2jix n PRO 145 Cb 0.50 -2.33 0.08 0.00 -0.04 0.00 0.00 33.50 31.71 2jix n PRO 145 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2jix n PRO 146 N 3.73 0.37 -2.76 0.54 -0.04 -1.26 -3.15 135.00 132.43 2jix n PRO 146 Ca 0.19 0.18 -0.19 0.00 -0.04 0.00 0.00 63.50 63.64 2jix n PRO 146 Cb 0.23 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 2jix n PRO 146 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jix n GLU 147 N -1.49 -3.04 -3.95 0.54 -0.58 -1.26 -4.94 120.64 105.91 2jix n GLU 147 Ca 0.12 0.77 -0.35 0.00 -0.42 0.00 0.00 57.16 57.27 2jix n GLU 147 Cb 0.50 -5.47 -0.12 0.00 -0.57 0.00 0.00 31.44 25.77 2jix n GLU 147 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2jix s THR 148 N -2.93 4.23 0.60 2.62 2.01 -1.19 -4.85 115.64 116.12 2jix s THR 148 Ca 0.16 -0.21 -0.19 0.00 0.31 0.00 0.00 61.69 61.76 2jix s THR 148 Cb -0.08 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 2jix s THR 148 CO 0.19 0.40 1.06 -0.81 -0.69 0.00 0.00 174.62 174.77 2jix n PRO 149 N 4.37 1.00 -1.74 4.92 -0.04 -1.26 -3.72 135.00 138.53 2jix n PRO 149 Ca -0.17 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 2jix n PRO 149 Cb 0.52 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 2jix n PRO 149 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2jix n MET 150 N -1.16 0.00 -0.39 0.54 2.81 -1.26 -4.78 117.12 112.88 2jix n MET 150 Ca 0.14 0.00 0.31 0.00 -1.81 0.00 0.00 57.70 56.34 2jix n MET 150 Cb 0.47 0.00 0.51 0.00 -0.71 0.00 0.00 33.22 33.49 2jix n MET 150 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2jix n THR 151 N -0.34 -0.11 0.00 2.03 -2.24 -1.24 -2.47 114.28 109.91 2jix n THR 151 Ca 0.00 1.17 0.00 0.00 -2.27 0.00 0.00 64.05 62.95 2jix n THR 151 Cb 0.00 -1.92 0.01 0.00 -2.10 0.00 0.00 70.33 66.32 2jix n THR 151 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2jix n SER 152 N -3.79 0.01 -1.81 3.42 3.41 -1.26 -1.30 113.62 112.30 2jix n SER 152 Ca 0.29 0.41 -0.15 0.00 -0.26 0.00 0.00 58.87 59.16 2jix n SER 152 Cb 1.21 -0.41 0.06 0.00 -0.26 0.00 0.00 64.21 64.81 2jix n SER 152 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2jix n HIS 153 N -1.42 1.99 -4.07 7.33 8.25 -1.03 -4.16 115.22 122.12 2jix n HIS 153 Ca -0.00 -2.02 -0.35 0.00 -0.26 0.00 0.00 57.72 55.09 2jix n HIS 153 Cb 0.10 -0.31 -0.11 0.00 1.12 0.00 0.00 29.99 30.79 2jix n HIS 153 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2jix s ILE 154 N -4.13 4.44 0.05 1.59 1.01 -0.42 0.17 121.20 123.91 2jix s ILE 154 Ca 0.46 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.96 2jix s ILE 154 Cb 0.39 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 2jix s ILE 154 CO 0.00 0.44 0.11 0.00 0.00 0.00 0.00 174.94 175.50 2jix s ARG 155 N 0.63 3.06 0.30 2.79 1.70 -0.66 -0.14 118.95 126.62 2jix s ARG 155 Ca 0.02 -0.57 0.11 0.00 -0.47 0.00 0.00 55.73 54.81 2jix s ARG 155 Cb -0.13 -2.84 -0.06 0.00 -0.57 0.00 0.00 34.95 31.35 2jix s ARG 155 CO 0.02 0.60 -0.15 0.71 -1.08 0.00 0.00 175.30 175.40 2jix s TYR 156 N -1.35 2.28 -0.06 5.89 1.51 -1.24 -2.25 117.35 122.13 2jix s TYR 156 Ca 0.28 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 2jix s TYR 156 Cb -0.12 -1.12 0.02 0.00 -0.11 0.00 0.00 41.96 40.63 2jix s TYR 156 CO 0.20 0.63 -0.04 -2.00 -1.11 0.00 0.00 175.55 173.23 2jix s GLU 157 N -3.56 0.93 0.05 -0.62 2.12 -1.07 -0.91 118.70 115.64 2jix s GLU 157 Ca 0.30 -0.09 -0.19 0.00 0.36 0.00 0.00 54.97 55.35 2jix s GLU 157 Cb -0.02 -1.01 -0.06 0.00 0.26 0.00 0.00 34.13 33.30 2jix s GLU 157 CO 0.15 -0.15 0.55 0.08 -0.54 0.00 0.00 175.26 175.34 2jix s VAL 158 N 1.27 4.82 0.12 3.70 1.01 0.23 -1.91 120.40 129.64 2jix s VAL 158 Ca -0.05 1.16 0.07 0.00 0.00 0.00 0.00 61.98 63.16 2jix s VAL 158 Cb -0.14 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2jix s VAL 158 CO -0.02 0.53 -0.10 -0.62 0.00 0.00 0.00 175.10 174.89 2jix s ASP 159 N -0.93 4.35 -0.25 3.32 2.15 0.12 -0.77 116.67 124.65 2jix s ASP 159 Ca 0.28 -0.42 -0.01 0.00 0.43 0.00 0.00 52.55 52.83 2jix s ASP 159 Cb -0.19 -0.80 0.07 0.00 -0.30 0.00 0.00 42.92 41.70 2jix s ASP 159 CO 0.18 0.17 0.03 -0.69 -0.17 0.00 0.00 175.17 174.68 2jix s VAL 160 N -1.28 1.02 0.29 1.11 1.01 -0.16 -2.48 120.40 119.92 2jix s VAL 160 Ca 0.22 -1.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 2jix s VAL 160 Cb -0.11 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 2jix s VAL 160 CO 0.14 -0.33 0.55 -0.44 0.00 0.00 0.00 175.10 175.02 2jix s SER 161 N 1.60 6.43 0.00 3.32 0.01 -0.87 -1.49 113.70 122.70 2jix s SER 161 Ca 0.01 0.69 0.07 0.00 1.31 0.00 0.00 55.95 58.02 2jix s SER 161 Cb -0.18 -2.13 -0.00 0.00 0.21 0.00 0.00 66.02 63.92 2jix s SER 161 CO -0.12 -0.20 0.50 0.00 0.41 0.00 0.00 173.24 173.83 2jix n ALA 162 N -1.00 2.64 0.00 1.44 0.00 -1.24 -1.79 120.51 120.56 2jix n ALA 162 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2jix n ALA 162 Cb 0.54 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.76 2jix n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jix n GLY 163 N 0.75 2.30 0.00 0.00 0.00 -1.26 -4.22 105.19 102.77 2jix n GLY 163 Ca 0.03 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.68 2jix n GLY 163 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jix n ASN 164 N 0.00 0.00 -0.09 1.61 2.04 -1.26 0.53 115.26 118.09 2jix n ASN 164 Ca 0.00 0.00 -0.11 0.00 -0.44 0.00 0.00 54.58 54.03 2jix n ASN 164 Cb 0.00 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.21 2jix n ASN 164 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 2jix h GLY 165 N 0.00 0.49 1.03 4.83 0.00 -2.04 -3.18 103.07 104.20 2jix h GLY 165 Ca 0.00 -0.37 -0.25 0.00 0.00 0.00 0.00 47.33 46.71 2jix h GLY 165 CO 0.00 0.34 -1.03 0.00 0.00 0.00 0.00 176.54 175.86 2jix h ALA 166 N 0.80 -0.01 -5.82 3.60 0.00 1.29 -3.49 119.26 115.64 2jix h ALA 166 Ca 0.07 -0.71 -0.17 0.00 0.00 0.00 0.00 54.91 54.10 2jix h ALA 166 Cb 0.44 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.33 2jix h ALA 166 CO 0.02 0.55 -0.39 0.41 0.00 0.00 0.00 179.25 179.84 2jix n GLY 167 N 1.37 -1.25 0.00 0.00 0.00 0.92 -4.84 105.19 101.39 2jix n GLY 167 Ca -0.13 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.40 2jix n GLY 167 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jix n SER 168 N -2.10 0.08 -3.60 1.61 7.64 -1.26 -4.92 113.62 111.07 2jix n SER 168 Ca -0.10 -0.12 -0.05 0.00 1.01 0.00 0.00 58.87 59.61 2jix n SER 168 Cb 0.56 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.74 2jix n SER 168 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2jix s VAL 169 N -1.05 0.00 -0.28 0.44 -7.23 -1.25 -3.60 120.40 107.44 2jix s VAL 169 Ca 0.00 0.00 -0.19 0.00 -1.81 0.00 0.00 61.98 59.98 2jix s VAL 169 Cb 0.00 -1.00 0.09 0.00 0.56 0.00 0.00 36.38 36.03 2jix s VAL 169 CO 0.00 0.00 0.78 -1.58 -0.31 0.00 0.00 175.10 173.99 2jix s GLN 170 N -2.18 0.67 0.02 4.82 0.74 -0.55 -4.97 119.66 118.20 2jix s GLN 170 Ca 0.09 1.02 0.07 0.00 0.05 0.00 0.00 55.36 56.59 2jix s GLN 170 Cb -0.01 0.21 -0.02 0.00 1.10 0.00 0.00 33.01 34.29 2jix s GLN 170 CO -0.05 -0.12 -0.22 1.03 -0.55 0.00 0.00 175.29 175.39 2jix s ARG 171 N 1.14 1.60 -0.03 1.67 1.81 -1.26 -0.99 118.95 122.89 2jix s ARG 171 Ca -0.06 -0.88 0.00 0.00 -1.72 0.00 0.00 55.73 53.08 2jix s ARG 171 Cb -0.05 -1.64 0.02 0.00 -0.45 0.00 0.00 34.95 32.84 2jix s ARG 171 CO -0.13 0.43 -0.00 0.54 -0.68 0.00 0.00 175.30 175.47 2jix s VAL 172 N -0.66 0.17 -0.51 3.52 0.11 0.05 -5.00 120.40 118.08 2jix s VAL 172 Ca 0.08 0.07 -0.23 0.00 -2.93 0.00 0.00 61.98 58.97 2jix s VAL 172 Cb -0.09 -0.25 0.04 0.00 -1.53 0.00 0.00 36.38 34.55 2jix s VAL 172 CO 0.01 0.13 0.83 -1.61 -3.33 0.00 0.00 175.10 171.13 2jix s GLU 173 N 0.89 3.33 0.05 1.54 0.41 -1.26 -0.60 118.70 123.05 2jix s GLU 173 Ca -0.09 -0.30 -0.28 0.00 -0.41 0.00 0.00 54.97 53.89 2jix s GLU 173 Cb -0.12 -4.02 -0.05 0.00 -1.78 0.00 0.00 34.13 28.16 2jix s GLU 173 CO -0.02 -1.30 0.88 0.42 -0.49 0.00 0.00 175.26 174.75 2jix s ILE 174 N 3.49 4.71 0.47 -1.63 -1.09 -0.08 -5.01 121.20 122.06 2jix s ILE 174 Ca 0.28 1.87 -0.24 0.00 -2.23 0.00 0.00 60.65 60.33 2jix s ILE 174 Cb -0.13 -4.23 -0.08 0.00 -1.58 0.00 0.00 42.46 36.43 2jix s ILE 174 CO 0.19 0.29 1.18 0.18 -1.23 0.00 0.00 174.94 175.55 2jix n LEU 175 N 3.15 3.88 -4.68 2.97 4.77 -1.26 -3.62 117.00 122.21 2jix n LEU 175 Ca 0.01 1.03 -0.42 0.00 -0.03 0.00 0.00 56.01 56.60 2jix n LEU 175 Cb 0.50 -1.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.10 2jix n LEU 175 CO 0.50 -1.00 1.51 1.21 -1.33 0.00 0.00 177.39 178.28 2jix n GLU 176 N -0.24 2.81 -0.62 3.23 2.13 -1.26 -1.39 120.64 125.30 2jix n GLU 176 Ca 0.09 1.02 0.00 0.00 0.66 0.00 0.00 57.16 58.93 2jix n GLU 176 Cb 0.41 -2.94 0.00 0.00 0.27 0.00 0.00 31.44 29.19 2jix n GLU 176 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jix n GLY 177 N 4.32 0.76 3.90 8.31 0.00 0.79 -4.89 105.19 118.39 2jix n GLY 177 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 2jix n GLY 177 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jix s ARG 178 N -0.38 3.59 0.00 1.61 0.52 -0.49 -4.98 118.95 118.81 2jix s ARG 178 Ca 0.00 -0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.06 2jix s ARG 178 Cb 0.00 -2.86 0.00 0.00 0.52 0.00 0.00 34.95 32.61 2jix s ARG 178 CO 0.00 0.47 0.58 0.25 0.02 0.00 0.00 175.30 176.62 2jix n THR 179 N 0.03 0.33 -4.35 0.02 -2.24 -1.26 -4.80 114.28 102.00 2jix n THR 179 Ca -0.03 -0.41 -0.24 0.00 -2.27 0.00 0.00 64.05 61.10 2jix n THR 179 Cb 0.52 1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 69.68 2jix n THR 179 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2jix s GLU 180 N -0.33 2.06 -0.29 -0.78 2.12 -1.26 -2.07 118.70 118.16 2jix s GLU 180 Ca 0.00 -1.52 -0.23 0.00 0.36 0.00 0.00 54.97 53.58 2jix s GLU 180 Cb 0.00 -2.03 0.15 0.00 0.26 0.00 0.00 34.13 32.51 2jix s GLU 180 CO 0.00 0.36 1.15 0.00 -0.54 0.00 0.00 175.26 176.23 2jix s VAL 182 N 0.45 4.59 -0.33 0.00 1.01 -1.26 -1.69 120.40 123.17 2jix s VAL 182 Ca 0.01 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.34 2jix s VAL 182 Cb -0.05 -3.95 0.08 0.00 0.00 0.00 0.00 36.38 32.46 2jix s VAL 182 CO -0.11 0.43 0.04 -0.76 0.00 0.00 0.00 175.10 174.70 2jix s LEU 183 N -1.43 4.35 0.51 3.92 1.43 0.26 -4.98 118.68 122.74 2jix s LEU 183 Ca 0.36 -1.68 0.08 0.00 -1.03 0.00 0.00 54.13 51.85 2jix s LEU 183 Cb -0.19 -1.69 0.05 0.00 0.03 0.00 0.00 46.19 44.38 2jix s LEU 183 CO 0.22 -0.34 0.70 -0.55 0.23 0.00 0.00 176.35 176.60 2jix s SER 184 N 1.29 5.34 -1.20 2.29 0.15 -1.26 -1.84 113.70 118.46 2jix s SER 184 Ca 0.01 -0.54 -0.01 0.00 0.70 0.00 0.00 55.95 56.11 2jix s SER 184 Cb -0.20 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.83 2jix s SER 184 CO -0.04 -1.08 0.13 0.59 1.20 0.00 0.00 173.24 174.05 2jix n ASN 185 N -2.10 -4.55 -4.71 5.45 3.02 -1.26 -4.99 115.26 106.11 2jix n ASN 185 Ca 0.11 -0.07 -0.37 0.00 -0.03 0.00 0.00 54.58 54.22 2jix n ASN 185 Cb 0.60 -3.62 -0.07 0.00 -0.61 0.00 0.00 39.78 36.08 2jix n ASN 185 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2jix s LEU 186 N -4.41 4.23 0.50 3.41 1.43 -1.26 -5.05 118.68 117.53 2jix s LEU 186 Ca 0.07 0.54 -0.21 0.00 -1.03 0.00 0.00 54.13 53.50 2jix s LEU 186 Cb -0.03 -2.44 -0.09 0.00 0.03 0.00 0.00 46.19 43.67 2jix s LEU 186 CO 0.08 0.05 0.86 -1.14 0.23 0.00 0.00 176.35 176.44 2jix n ARG 187 N 3.77 0.99 -1.81 1.70 3.00 -1.26 -4.97 116.66 118.08 2jix n ARG 187 Ca -0.11 0.37 -0.33 0.00 -0.00 0.00 0.00 57.85 57.78 2jix n ARG 187 Cb 0.52 -1.97 0.04 0.00 0.00 0.00 0.00 32.46 31.05 2jix n ARG 187 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2jix s GLY 188 N -0.99 2.20 -1.98 5.14 0.00 -1.26 -4.16 107.32 106.28 2jix s GLY 188 Ca 0.68 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.97 2jix s GLY 188 CO 0.54 0.93 0.00 -2.13 0.00 0.00 0.00 173.10 172.43 2jix n ARG 189 N -2.30 -1.43 -3.77 2.90 0.63 -0.64 -4.88 116.66 107.18 2jix n ARG 189 Ca 0.10 1.10 -0.22 0.00 -0.92 0.00 0.00 57.85 57.92 2jix n ARG 189 Cb 0.52 -5.46 -0.04 0.00 0.45 0.00 0.00 32.46 27.92 2jix n ARG 189 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2jix s THR 190 N -2.60 2.72 -0.27 5.15 2.01 -1.26 -4.81 115.64 116.58 2jix s THR 190 Ca 0.00 -1.46 -0.03 0.00 0.31 0.00 0.00 61.69 60.51 2jix s THR 190 Cb 0.00 -3.02 0.02 0.00 0.01 0.00 0.00 72.50 69.51 2jix s THR 190 CO 0.00 -0.04 -0.01 -0.60 -0.69 0.00 0.00 174.62 173.28 2jix s ARG 191 N -4.04 2.89 -0.14 4.92 3.52 -1.26 -0.78 118.95 124.07 2jix s ARG 191 Ca 0.45 -0.96 -0.06 0.00 -0.13 0.00 0.00 55.73 55.03 2jix s ARG 191 Cb -0.02 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.21 2jix s ARG 191 CO 0.26 -0.43 0.08 0.71 -0.81 0.00 0.00 175.30 175.11 2jix s TYR 192 N 1.38 3.36 -0.28 5.12 2.02 0.34 -4.54 117.35 124.74 2jix s TYR 192 Ca 0.01 0.28 -0.02 0.00 -0.37 0.00 0.00 57.07 56.96 2jix s TYR 192 Cb -0.17 -1.96 0.03 0.00 -0.40 0.00 0.00 41.96 39.46 2jix s TYR 192 CO -0.02 0.44 -0.02 0.99 -1.57 0.00 0.00 175.55 175.38 2jix s THR 193 N -0.42 3.04 -0.16 -0.71 2.01 -0.74 -1.29 115.64 117.37 2jix s THR 193 Ca 0.10 -1.15 -0.09 0.00 0.31 0.00 0.00 61.69 60.85 2jix s THR 193 Cb -0.12 -2.64 -0.05 0.00 0.01 0.00 0.00 72.50 69.71 2jix s THR 193 CO 0.02 0.05 0.16 -0.36 -0.69 0.00 0.00 174.62 173.80 2jix s PHE 194 N 1.31 3.50 0.00 4.92 0.40 -0.09 -2.05 117.98 125.98 2jix s PHE 194 Ca -0.02 0.46 -0.02 0.00 -0.60 0.00 0.00 56.93 56.75 2jix s PHE 194 Cb -0.18 -2.10 -0.01 0.00 0.51 0.00 0.00 43.02 41.24 2jix s PHE 194 CO -0.02 0.48 0.04 0.00 0.70 0.00 0.00 175.22 176.41 2jix s ALA 195 N -0.24 -0.07 0.05 5.36 0.00 -1.03 -1.55 121.76 124.28 2jix s ALA 195 Ca 0.12 -0.25 0.07 0.00 0.00 0.00 0.00 51.96 51.90 2jix s ALA 195 Cb -0.12 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 2jix s ALA 195 CO 0.02 -0.13 -0.18 0.08 0.00 0.00 0.00 175.76 175.54 2jix s VAL 196 N -0.99 1.48 0.41 0.00 1.01 -1.26 -0.70 120.40 120.34 2jix s VAL 196 Ca -0.11 -1.20 0.03 0.00 0.00 0.00 0.00 61.98 60.70 2jix s VAL 196 Cb -0.07 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 2jix s VAL 196 CO -0.00 0.08 0.10 0.00 0.00 0.00 0.00 175.10 175.28 2jix s ARG 197 N -1.32 1.92 -0.07 2.72 1.70 -0.80 0.26 118.95 123.36 2jix s ARG 197 Ca 0.05 -2.17 -0.15 0.00 -0.47 0.00 0.00 55.73 52.99 2jix s ARG 197 Cb -0.09 -0.78 0.03 0.00 -0.57 0.00 0.00 34.95 33.54 2jix s ARG 197 CO 0.02 -0.42 0.36 0.00 -1.08 0.00 0.00 175.30 174.19 2jix s ALA 198 N -3.18 -0.91 0.01 7.88 0.00 -1.26 -2.59 121.76 121.72 2jix s ALA 198 Ca 0.23 0.72 -0.04 0.00 0.00 0.00 0.00 51.96 52.87 2jix s ALA 198 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 2jix s ALA 198 CO 0.13 -0.23 0.05 0.50 0.00 0.00 0.00 175.76 176.21 2jix s ARG 199 N -0.63 0.40 0.07 0.00 3.52 -0.95 -0.60 118.95 120.76 2jix s ARG 199 Ca -0.07 -0.51 -0.31 0.00 -0.13 0.00 0.00 55.73 54.71 2jix s ARG 199 Cb -0.04 0.16 -0.09 0.00 -1.56 0.00 0.00 34.95 33.42 2jix s ARG 199 CO 0.03 -0.08 1.82 -1.64 -0.81 0.00 0.00 175.30 174.62 2jix s MET 200 N -1.44 4.15 0.00 5.12 -1.94 -1.26 -1.65 119.30 122.28 2jix s MET 200 Ca -0.15 2.51 0.00 0.00 -1.71 0.00 0.00 55.69 56.34 2jix s MET 200 Cb -0.09 -3.79 0.00 0.00 2.01 0.00 0.00 34.83 32.96 2jix s MET 200 CO 0.00 -0.85 0.00 0.00 -0.01 0.00 0.00 175.02 174.16 2jix n ALA 201 N 6.32 0.00 -4.46 3.03 0.00 0.13 -4.81 120.51 120.72 2jix n ALA 201 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.35 2jix n ALA 201 Cb 0.40 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.77 2jix n ALA 201 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jix n GLU 202 N 0.00 0.54 0.00 0.00 4.71 -1.26 -4.89 120.64 119.73 2jix n GLU 202 Ca 0.00 -3.54 0.00 0.00 -0.01 0.00 0.00 57.16 53.61 2jix n GLU 202 Cb 0.00 2.11 0.00 0.00 -1.01 0.00 0.00 31.44 32.54 2jix n GLU 202 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2jix n PRO 203 N -0.89 2.60 0.00 3.49 -0.04 -1.26 -4.92 135.00 133.98 2jix n PRO 203 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2jix n PRO 203 Cb 0.63 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.09 2jix n PRO 203 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2jix n SER 204 N 0.00 0.00 -3.69 3.54 3.41 -1.26 -4.55 113.62 111.08 2jix n SER 204 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.33 2jix n SER 204 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 2jix n SER 204 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2jix n PHE 205 N 0.00 0.29 -2.01 7.33 1.16 -1.26 -4.95 117.46 118.02 2jix n PHE 205 Ca 0.00 0.19 -0.28 0.00 -1.87 0.00 0.00 57.45 55.49 2jix n PHE 205 Cb 0.00 -1.37 0.12 0.00 -1.61 0.00 0.00 39.48 36.62 2jix n PHE 205 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 2jix s GLY 206 N 4.61 1.69 0.00 4.97 0.00 -1.20 -4.86 107.32 112.53 2jix s GLY 206 Ca 1.10 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 44.86 2jix s GLY 206 CO 0.43 -0.39 0.00 0.61 0.00 0.00 0.00 173.10 173.75 2jix n GLY 207 N -3.36 -1.00 3.09 0.20 0.00 -1.26 -2.62 105.19 100.25 2jix n GLY 207 Ca 0.11 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 2jix n GLY 207 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jix s PHE 208 N -4.00 0.77 0.30 1.61 2.99 -1.13 -4.94 117.98 113.58 2jix s PHE 208 Ca 0.00 -0.58 -0.30 0.00 0.00 0.00 0.00 56.93 56.05 2jix s PHE 208 Cb 0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 43.02 42.45 2jix s PHE 208 CO 0.00 -0.08 1.57 0.91 -0.00 0.00 0.00 175.22 177.62 2jix n TRP 209 N 1.14 2.83 -0.85 0.36 5.03 -1.26 -4.39 117.44 120.29 2jix n TRP 209 Ca -0.20 0.29 -0.29 0.00 3.03 0.00 0.00 57.50 60.32 2jix n TRP 209 Cb 0.56 -2.58 0.23 0.00 -1.03 0.00 0.00 31.31 28.48 2jix n TRP 209 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 2jix s SER 210 N 0.41 1.29 0.91 -0.99 1.04 0.23 -4.85 113.70 111.74 2jix s SER 210 Ca 0.63 1.14 -0.11 0.00 0.48 0.00 0.00 55.95 58.10 2jix s SER 210 Cb -0.50 -1.76 0.14 0.00 0.10 0.00 0.00 66.02 64.00 2jix s SER 210 CO 0.50 -3.96 1.11 0.00 0.98 0.00 0.00 173.24 171.88 2jix s ALA 211 N -2.72 1.43 0.25 5.32 0.00 -1.26 -4.44 121.76 120.33 2jix s ALA 211 Ca 0.68 0.36 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 2jix s ALA 211 Cb -0.19 -3.36 -0.10 0.00 0.00 0.00 0.00 23.12 19.47 2jix s ALA 211 CO 0.60 -2.62 1.40 -1.58 0.00 0.00 0.00 175.76 173.56 2jix s TRP 212 N -2.72 3.06 0.84 0.00 0.52 -1.26 -4.44 118.94 114.94 2jix s TRP 212 Ca 0.65 1.11 -0.13 0.00 0.02 0.00 0.00 56.10 57.75 2jix s TRP 212 Cb -0.21 -3.77 0.07 0.00 -1.15 0.00 0.00 33.47 28.41 2jix s TRP 212 CO 0.58 -2.44 1.00 -1.13 0.02 0.00 0.00 176.95 174.98 2jix n SER 213 N 2.17 0.20 -4.70 2.95 3.41 0.73 -4.88 113.62 113.50 2jix n SER 213 Ca 0.06 0.53 -0.42 0.00 -0.26 0.00 0.00 58.87 58.77 2jix n SER 213 Cb 0.41 -1.43 -0.01 0.00 -0.26 0.00 0.00 64.21 62.93 2jix n SER 213 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jix n GLU 214 N -2.89 2.17 -1.56 4.33 1.02 -1.26 -4.35 120.64 118.11 2jix n GLU 214 Ca 0.12 0.76 -0.19 0.00 -0.02 0.00 0.00 57.16 57.83 2jix n GLU 214 Cb 0.51 -2.36 0.12 0.00 -0.02 0.00 0.00 31.44 29.69 2jix n GLU 214 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2jix n PRO 215 N 0.63 -0.56 -3.68 3.49 -0.05 -1.26 -4.79 135.00 128.78 2jix n PRO 215 Ca 0.05 -1.60 -0.10 0.00 -0.05 0.00 0.00 63.50 61.80 2jix n PRO 215 Cb 0.36 -0.79 -0.10 0.00 -0.05 0.00 0.00 33.50 32.92 2jix n PRO 215 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 2jix s VAL 216 N -2.71 -0.02 0.07 0.52 0.11 -0.59 -4.97 120.40 112.81 2jix s VAL 216 Ca 0.51 0.07 0.06 0.00 -2.93 0.00 0.00 61.98 59.68 2jix s VAL 216 Cb -0.02 -0.70 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 2jix s VAL 216 CO 0.35 0.03 -0.11 -0.44 -3.33 0.00 0.00 175.10 171.60 2jix s SER 217 N 1.40 4.33 0.04 3.54 0.01 -1.26 -0.91 113.70 120.85 2jix s SER 217 Ca -0.09 -0.33 0.05 0.00 1.31 0.00 0.00 55.95 56.88 2jix s SER 217 Cb -0.07 -0.85 -0.02 0.00 0.21 0.00 0.00 66.02 65.28 2jix s SER 217 CO -0.14 0.22 -0.14 -0.22 0.41 0.00 0.00 173.24 173.37 2jix s LEU 218 N -1.85 2.18 -0.23 2.44 2.96 -0.41 -4.99 118.68 118.78 2jix s LEU 218 Ca 0.19 -0.47 -0.08 0.00 -0.22 0.00 0.00 54.13 53.55 2jix s LEU 218 Cb -0.11 -0.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.96 2jix s LEU 218 CO 0.10 0.02 0.08 -0.22 -1.32 0.00 0.00 176.35 175.02 2jix s LEU 219 N -1.18 3.61 0.32 -0.68 1.98 -1.26 -0.51 118.68 120.95 2jix s LEU 219 Ca 0.01 -0.11 -0.19 0.00 -2.89 0.00 0.00 54.13 50.95 2jix s LEU 219 Cb -0.08 -1.96 -0.09 0.00 0.66 0.00 0.00 46.19 44.72 2jix s LEU 219 CO 0.01 0.02 0.80 0.28 -1.89 0.00 0.00 176.35 175.57 2jix s THR 220 N 1.30 4.53 0.85 3.68 -1.32 0.04 -4.99 115.64 119.73 2jix s THR 220 Ca 0.05 1.26 -0.11 0.00 -1.21 0.00 0.00 61.69 61.68 2jix s THR 220 Cb -0.15 -3.73 0.14 0.00 -1.51 0.00 0.00 72.50 67.26 2jix s THR 220 CO 0.04 -0.06 1.18 -2.16 -2.21 0.00 0.00 174.62 171.41 2jix s PRO 221 N -2.62 1.32 0.56 7.08 0.04 -1.26 -3.13 135.00 136.99 2jix s PRO 221 Ca 0.52 -0.44 -0.18 0.00 0.04 0.00 0.00 61.00 60.94 2jix s PRO 221 Cb -0.13 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 2jix s PRO 221 CO 0.18 -1.89 1.08 0.45 0.04 0.00 0.00 177.00 176.86 2jix s SER 222 N -4.75 5.82 0.88 6.66 0.15 -1.26 -1.62 113.70 119.59 2jix s SER 222 Ca 0.68 2.00 -0.10 0.00 0.70 0.00 0.00 55.95 59.23 2jix s SER 222 Cb -0.06 -2.56 0.12 0.00 -1.71 0.00 0.00 66.02 61.81 2jix s SER 222 CO 0.49 -1.14 1.12 -1.81 1.20 0.00 0.00 173.24 173.10 2jix s ASP 223 N -2.18 3.35 0.00 5.45 1.01 -1.26 -4.86 116.67 118.17 2jix s ASP 223 Ca 0.68 1.99 0.00 0.00 0.71 0.00 0.00 52.55 55.93 2jix s ASP 223 Cb -0.19 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.22 2jix s ASP 223 CO 0.29 -2.80 0.00 0.18 0.21 0.00 0.00 175.17 173.06