#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k2s s GLU 2 N 0.00 1.77 -0.86 0.11 2.12 -1.26 -5.11 118.70 115.48 3k2s s GLU 2 Ca 0.00 -1.71 -0.35 0.00 0.36 0.00 0.00 54.97 53.27 3k2s s GLU 2 Cb 0.00 0.42 -0.21 0.00 0.26 0.00 0.00 34.13 34.60 3k2s s GLU 2 CO 0.00 -0.71 2.54 -2.30 -0.54 0.00 0.00 175.26 174.25 3k2s n PRO 3 N -0.52 0.01 -0.36 4.30 -0.02 -1.26 -4.87 135.00 132.29 3k2s n PRO 3 Ca 0.01 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.59 3k2s n PRO 3 Cb 0.62 -1.51 0.28 0.00 -0.02 0.00 0.00 33.50 32.87 3k2s n PRO 3 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3k2s h PRO 4 N 11.20 0.86 -5.07 0.52 0.11 -2.08 -3.46 132.00 134.08 3k2s h PRO 4 Ca -0.07 -0.05 -0.60 0.00 0.11 0.00 0.00 66.00 65.39 3k2s h PRO 4 Cb 1.34 -0.19 -0.13 0.00 0.11 0.00 0.00 31.00 32.13 3k2s h PRO 4 CO 1.30 0.57 -0.51 1.14 -0.21 0.00 0.00 178.00 180.30 3k2s s GLN 5 N -5.91 2.04 -0.41 1.05 0.00 -1.26 -5.13 119.66 110.04 3k2s s GLN 5 Ca -0.12 -2.27 -0.20 0.00 -0.00 0.00 0.00 55.36 52.78 3k2s s GLN 5 Cb 0.24 -0.87 0.02 0.00 0.00 0.00 0.00 33.01 32.40 3k2s s GLN 5 CO 0.81 -0.47 0.59 -1.12 0.00 0.00 0.00 175.29 175.09 3k2s s SER 6 N -3.70 6.31 -0.96 12.60 0.01 -1.26 -5.01 113.70 121.69 3k2s s SER 6 Ca 0.17 -0.29 -0.24 0.00 1.31 0.00 0.00 55.95 56.90 3k2s s SER 6 Cb 0.02 -2.30 0.05 0.00 0.21 0.00 0.00 66.02 64.00 3k2s s SER 6 CO 0.11 -0.68 1.41 -2.16 0.41 0.00 0.00 173.24 172.33 3k2s s PRO 7 N 2.62 3.50 0.00 12.44 0.04 -1.26 -4.92 135.00 147.42 3k2s s PRO 7 Ca 0.20 -0.94 0.00 0.00 0.04 0.00 0.00 61.00 60.30 3k2s s PRO 7 Cb -0.15 -5.10 0.00 0.00 0.04 0.00 0.00 34.50 29.29 3k2s s PRO 7 CO 0.17 -2.19 0.00 0.91 0.04 0.00 0.00 177.00 175.93 3k2s n TRP 8 N 8.96 0.00 0.00 0.56 7.02 -1.26 -5.02 117.44 127.70 3k2s n TRP 8 Ca 0.26 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.74 3k2s n TRP 8 Cb 0.51 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.40 3k2s n TRP 8 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 3k2s n ASP 9 N 0.72 0.00 -0.26 -0.99 5.75 -1.26 -5.07 116.55 115.43 3k2s n ASP 9 Ca 0.00 0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 3k2s n ASP 9 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3k2s n ASP 9 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3k2s n ARG 10 N -0.13 0.00 -0.03 0.11 1.74 -1.26 -5.03 116.66 112.06 3k2s n ARG 10 Ca 0.00 0.09 -0.07 0.00 -0.77 0.00 0.00 57.85 57.10 3k2s n ARG 10 Cb 0.00 -0.25 0.10 0.00 -1.02 0.00 0.00 32.46 31.29 3k2s n ARG 10 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3k2s h VAL 11 N 0.00 1.29 0.00 1.55 2.07 -2.02 -3.43 116.25 115.71 3k2s h VAL 11 Ca 0.00 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.03 3k2s h VAL 11 Cb 0.00 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3k2s h VAL 11 CO 0.00 0.48 -0.54 0.29 0.02 0.00 0.00 177.57 177.81 3k2s n LYS 12 N -4.06 0.39 0.15 1.57 5.02 -1.26 -4.58 118.16 115.39 3k2s n LYS 12 Ca -0.01 0.37 0.03 0.00 -2.02 0.00 0.00 58.31 56.68 3k2s n LYS 12 Cb 0.49 -1.42 0.15 0.00 -0.02 0.00 0.00 35.03 34.22 3k2s n LYS 12 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3k2s h ASP 13 N -0.81 0.00 0.10 4.39 3.32 -2.01 -3.03 116.42 118.38 3k2s h ASP 13 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3k2s h ASP 13 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3k2s h ASP 13 CO 0.00 0.50 0.00 0.18 -1.72 0.00 0.00 179.24 178.20 3k2s n LEU 14 N -3.37 0.00 -0.33 1.55 4.77 -1.26 -2.85 117.00 115.50 3k2s n LEU 14 Ca 0.01 0.24 0.27 0.00 -0.03 0.00 0.00 56.01 56.50 3k2s n LEU 14 Cb 0.66 -0.24 0.59 0.00 -2.33 0.00 0.00 43.42 42.10 3k2s n LEU 14 CO 0.40 -0.19 1.25 0.00 -1.33 0.00 0.00 177.39 177.52 3k2s h ALA 15 N 2.32 2.51 0.00 -1.18 0.00 -1.78 0.20 119.26 121.34 3k2s h ALA 15 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3k2s h ALA 15 Cb 0.05 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3k2s h ALA 15 CO 0.00 -0.92 0.00 -2.37 0.00 0.00 0.00 179.25 175.96 3k2s n THR 16 N -4.52 0.97 -0.10 0.00 5.66 -1.13 -1.59 114.28 113.56 3k2s n THR 16 Ca 0.26 0.33 -0.21 0.00 -3.05 0.00 0.00 64.05 61.39 3k2s n THR 16 Cb 1.03 -1.24 -0.07 0.00 -1.55 0.00 0.00 70.33 68.50 3k2s n THR 16 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3k2s n VAL 17 N -2.05 1.23 -0.36 1.08 0.31 -0.24 -4.61 118.33 113.69 3k2s n VAL 17 Ca 0.02 -0.23 0.05 0.00 -0.01 0.00 0.00 64.34 64.17 3k2s n VAL 17 Cb 0.17 -1.85 0.22 0.00 -0.91 0.00 0.00 33.84 31.46 3k2s n VAL 17 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 3k2s h TYR 18 N -0.78 1.15 0.58 3.52 0.05 -0.64 0.65 116.97 121.50 3k2s h TYR 18 Ca -0.47 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.31 3k2s h TYR 18 Cb 1.38 -0.37 0.01 0.00 1.01 0.00 0.00 36.73 38.75 3k2s h TYR 18 CO -0.11 0.54 -0.28 0.28 -1.05 0.00 0.00 178.16 177.54 3k2s h VAL 19 N 1.08 0.00 -0.56 -2.88 2.07 -1.55 -2.77 116.25 111.64 3k2s h VAL 19 Ca 0.45 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.91 3k2s h VAL 19 Cb 0.32 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 3k2s h VAL 19 CO -0.21 0.00 0.16 0.44 0.02 0.00 0.00 177.57 177.98 3k2s h ASP 20 N -0.79 0.79 0.34 0.57 3.32 -1.74 0.32 116.42 119.22 3k2s h ASP 20 Ca -0.08 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 3k2s h ASP 20 Cb 0.59 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3k2s h ASP 20 CO 0.13 0.76 -0.16 0.58 -1.72 0.00 0.00 179.24 178.83 3k2s h VAL 21 N 0.82 0.68 -0.72 -1.35 2.07 -1.00 -2.56 116.25 114.19 3k2s h VAL 21 Ca 0.18 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.58 3k2s h VAL 21 Cb 0.27 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3k2s h VAL 21 CO -0.01 0.02 0.28 0.25 0.02 0.00 0.00 177.57 178.13 3k2s h LEU 22 N -0.50 0.98 -0.58 2.57 5.85 -1.30 0.41 115.31 122.75 3k2s h LEU 22 Ca -0.05 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.57 3k2s h LEU 22 Cb 0.38 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 3k2s h LEU 22 CO 0.08 0.88 0.32 0.50 -0.34 0.00 0.00 178.44 179.88 3k2s h LYS 23 N 1.04 0.60 0.05 1.25 1.63 -0.94 -3.31 116.57 116.89 3k2s h LYS 23 Ca 0.24 -0.04 -0.35 0.00 -0.85 0.00 0.00 60.65 59.66 3k2s h LYS 23 Cb 0.21 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.66 3k2s h LYS 23 CO -0.02 0.40 -1.95 -0.25 -3.45 0.00 0.00 179.45 174.18 3k2s n ASP 24 N -4.81 1.99 0.00 4.20 8.00 -0.97 -4.97 116.55 119.99 3k2s n ASP 24 Ca 0.06 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.79 3k2s n ASP 24 Cb 0.13 -0.81 0.00 0.00 -0.02 0.00 0.00 41.12 40.42 3k2s n ASP 24 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3k2s n SER 25 N -3.86 0.00 0.00 -2.24 3.41 -0.02 -4.88 113.62 106.04 3k2s n SER 25 Ca -0.38 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.36 3k2s n SER 25 Cb 0.90 0.00 0.61 0.00 -0.26 0.00 0.00 64.21 65.47 3k2s n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k2s n GLY 26 N 0.00 -1.39 0.00 5.00 0.00 0.12 -2.58 105.19 106.34 3k2s n GLY 26 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3k2s n GLY 26 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3k2s n ARG 27 N -1.45 0.00 0.23 1.61 0.63 -1.25 -4.51 116.66 111.93 3k2s n ARG 27 Ca 0.08 0.44 0.10 0.00 -0.92 0.00 0.00 57.85 57.56 3k2s n ARG 27 Cb 0.30 -1.37 0.55 0.00 0.45 0.00 0.00 32.46 32.38 3k2s n ARG 27 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3k2s h ASP 28 N 0.00 0.00 -0.91 6.15 5.19 -1.84 -3.01 116.42 122.00 3k2s h ASP 28 Ca 0.00 0.00 0.14 0.00 -0.62 0.00 0.00 57.03 56.55 3k2s h ASP 28 Cb 0.00 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.44 3k2s h ASP 28 CO 0.00 0.21 0.59 0.10 -3.12 0.00 0.00 179.24 177.01 3k2s h TYR 29 N 0.00 0.88 -0.18 4.55 -0.00 -1.76 -1.98 116.97 118.49 3k2s h TYR 29 Ca -0.00 0.03 -0.10 0.00 -0.00 0.00 0.00 58.73 58.65 3k2s h TYR 29 Cb 0.60 -0.28 -0.01 0.00 -0.00 0.00 0.00 36.73 37.04 3k2s h TYR 29 CO 0.00 0.32 -0.34 -0.39 -0.00 0.00 0.00 178.16 177.75 3k2s h VAL 30 N 0.74 1.29 0.00 -0.90 -1.51 -1.77 0.36 116.25 114.46 3k2s h VAL 30 Ca 0.46 -1.41 -0.17 0.00 -1.23 0.00 0.00 66.70 64.35 3k2s h VAL 30 Cb 0.70 1.53 -0.03 0.00 -2.13 0.00 0.00 31.29 31.36 3k2s h VAL 30 CO -0.22 0.43 -1.05 -1.28 -1.23 0.00 0.00 177.57 174.22 3k2s h SER 31 N 0.31 0.00 0.64 4.19 0.87 -1.60 0.94 113.55 118.90 3k2s h SER 31 Ca 0.04 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.38 3k2s h SER 31 Cb 0.76 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 3k2s h SER 31 CO 0.06 0.70 -0.96 1.56 -0.53 0.00 0.00 176.83 177.66 3k2s h GLN 32 N 0.00 0.19 -0.57 2.24 1.08 -1.33 -2.58 115.11 114.14 3k2s h GLN 32 Ca -0.09 -0.24 -0.09 0.00 -1.45 0.00 0.00 58.65 56.78 3k2s h GLN 32 Cb 1.61 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 29.10 3k2s h GLN 32 CO 0.08 1.01 0.00 0.35 -0.95 0.00 0.00 178.83 179.32 3k2s h PHE 33 N 0.09 1.10 -0.90 2.96 3.04 -0.92 -0.47 116.94 121.85 3k2s h PHE 33 Ca -0.06 -0.19 0.10 0.00 3.98 0.00 0.00 57.97 61.81 3k2s h PHE 33 Cb 1.62 -0.29 -0.07 0.00 2.56 0.00 0.00 35.95 39.78 3k2s h PHE 33 CO 0.03 0.98 0.58 1.49 -2.02 0.00 0.00 178.31 179.37 3k2s h GLU 34 N 0.89 0.84 0.00 1.11 4.81 -0.82 -1.29 114.58 120.12 3k2s h GLU 34 Ca 0.16 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 3k2s h GLU 34 Cb 0.54 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3k2s h GLU 34 CO 0.03 0.56 -0.71 0.78 -0.73 0.00 0.00 179.01 178.94 3k2s h GLY 35 N 0.87 0.00 2.00 1.92 0.00 -1.31 -1.26 103.07 105.29 3k2s h GLY 35 Ca 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.65 3k2s h GLY 35 CO -0.19 0.00 -0.47 0.23 0.00 0.00 0.00 176.54 176.12 3k2s h SER 36 N 0.00 0.00 0.27 0.19 0.87 -0.73 -2.66 113.55 111.49 3k2s h SER 36 Ca -0.04 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.18 3k2s h SER 36 Cb 1.26 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.22 3k2s h SER 36 CO 0.03 0.47 -1.72 0.00 -0.53 0.00 0.00 176.83 175.08 3k2s h ALA 37 N 1.53 0.25 -0.00 6.23 0.00 -1.16 -3.36 119.26 122.75 3k2s h ALA 37 Ca -0.00 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.73 3k2s h ALA 37 Cb 0.87 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3k2s h ALA 37 CO 0.06 1.11 -0.01 1.28 0.00 0.00 0.00 179.25 181.69 3k2s n LEU 38 N -3.52 0.11 -4.32 0.00 4.77 -0.48 -2.96 117.00 110.60 3k2s n LEU 38 Ca -0.23 0.09 -0.33 0.00 -0.03 0.00 0.00 56.01 55.52 3k2s n LEU 38 Cb 1.06 -0.13 -0.15 0.00 -2.33 0.00 0.00 43.42 41.87 3k2s n LEU 38 CO 0.50 0.02 -0.49 -0.83 -1.33 0.00 0.00 177.39 175.26 3k2s s GLY 39 N -2.28 1.46 0.00 -0.72 0.00 -1.00 -4.93 107.32 99.86 3k2s s GLY 39 Ca 0.38 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 44.18 3k2s s GLY 39 CO 0.42 -0.24 0.00 0.28 0.00 0.00 0.00 173.10 173.55 3k2s n LYS 40 N 3.52 0.00 -0.01 2.90 4.76 -1.26 -4.84 118.16 123.22 3k2s n LYS 40 Ca -0.18 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.25 3k2s n LYS 40 Cb 0.53 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.71 3k2s n LYS 40 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 3k2s n GLN 41 N 0.00 -0.02 0.00 1.97 7.27 -1.26 -4.54 117.38 120.80 3k2s n GLN 41 Ca 0.00 0.13 0.00 0.00 0.07 0.00 0.00 57.00 57.20 3k2s n GLN 41 Cb 0.00 -0.20 0.00 0.00 2.41 0.00 0.00 30.24 32.45 3k2s n GLN 41 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 3k2s n LEU 42 N -2.73 0.00 0.09 1.69 0.00 -1.26 -4.81 117.00 109.98 3k2s n LEU 42 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 56.01 56.06 3k2s n LEU 42 Cb 0.01 0.00 0.24 0.00 0.00 0.00 0.00 43.42 43.67 3k2s n LEU 42 CO -0.01 0.00 0.68 -0.46 0.00 0.00 0.00 177.39 177.60 3k2s n ASN 43 N -0.97 0.23 -0.05 1.96 6.94 -1.16 -0.99 115.26 121.23 3k2s n ASN 43 Ca 0.00 0.50 -0.11 0.00 -0.02 0.00 0.00 54.58 54.94 3k2s n ASN 43 Cb 0.00 -0.48 -0.14 0.00 -2.36 0.00 0.00 39.78 36.79 3k2s n ASN 43 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3k2s n LEU 44 N -1.78 1.00 0.01 -4.53 4.77 -1.26 -4.51 117.00 110.70 3k2s n LEU 44 Ca -0.01 0.23 0.13 0.00 -0.03 0.00 0.00 56.01 56.34 3k2s n LEU 44 Cb 0.21 0.02 0.45 0.00 -2.33 0.00 0.00 43.42 41.77 3k2s n LEU 44 CO 0.04 0.52 0.75 0.29 -1.33 0.00 0.00 177.39 177.66 3k2s n LYS 45 N -3.03 0.04 0.25 3.23 4.76 -0.16 -1.55 118.16 121.70 3k2s n LYS 45 Ca -0.25 0.03 0.14 0.00 -2.87 0.00 0.00 58.31 55.35 3k2s n LYS 45 Cb 1.08 -1.54 0.53 0.00 -1.84 0.00 0.00 35.03 33.25 3k2s n LYS 45 CO 0.00 0.00 0.00 1.37 -1.37 0.00 0.00 177.40 177.40 3k2s h LEU 46 N 0.00 0.00 0.00 -0.35 -0.00 -1.78 -3.36 115.31 109.82 3k2s h LEU 46 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.88 57.49 3k2s h LEU 46 Cb 0.54 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.14 3k2s h LEU 46 CO 0.00 0.09 -2.13 0.18 -0.00 0.00 0.00 178.44 176.58 3k2s n LEU 47 N -3.20 1.99 -0.43 0.17 4.77 -0.97 -4.04 117.00 115.30 3k2s n LEU 47 Ca 0.01 0.34 0.38 0.00 -0.03 0.00 0.00 56.01 56.71 3k2s n LEU 47 Cb 0.39 -0.88 0.72 0.00 -2.33 0.00 0.00 43.42 41.32 3k2s n LEU 47 CO 0.30 0.51 1.34 -0.78 -1.33 0.00 0.00 177.39 177.43 3k2s h ASP 48 N -0.93 0.10 -0.11 -1.43 -0.00 -1.43 -1.13 116.42 111.50 3k2s h ASP 48 Ca -0.58 0.03 -0.16 0.00 -0.00 0.00 0.00 57.03 56.32 3k2s h ASP 48 Cb 1.54 0.02 -0.28 0.00 -0.00 0.00 0.00 39.33 40.62 3k2s h ASP 48 CO -0.33 -0.02 -0.87 -0.46 -0.00 0.00 0.00 179.24 177.56 3k2s n ASN 49 N -4.26 1.58 -0.10 2.28 0.23 -1.26 -4.65 115.26 109.08 3k2s n ASN 49 Ca 0.32 -2.70 -0.18 0.00 -0.53 0.00 0.00 54.58 51.49 3k2s n ASN 49 Cb 1.41 -0.39 -0.08 0.00 -2.08 0.00 0.00 39.78 38.63 3k2s n ASN 49 CO 0.00 0.00 0.00 1.87 -0.93 0.00 0.00 177.26 178.20 3k2s n TRP 50 N -0.21 0.70 0.89 -2.53 -0.00 -0.43 -4.48 117.44 111.38 3k2s n TRP 50 Ca 0.13 0.30 0.09 0.00 -0.00 0.00 0.00 57.50 58.02 3k2s n TRP 50 Cb 0.96 -0.95 0.47 0.00 -0.00 0.00 0.00 31.31 31.79 3k2s n TRP 50 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 3k2s n ASP 51 N -4.44 0.00 0.22 5.87 8.00 -1.20 -0.59 116.55 124.41 3k2s n ASP 51 Ca -0.29 -0.01 0.08 0.00 0.71 0.00 0.00 54.79 55.28 3k2s n ASP 51 Cb 0.61 -0.27 0.48 0.00 -0.02 0.00 0.00 41.12 41.92 3k2s n ASP 51 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3k2s h SER 52 N 0.00 0.00 0.19 -2.24 4.64 -1.83 -0.11 113.55 114.21 3k2s h SER 52 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 3k2s h SER 52 Cb 0.17 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.27 3k2s h SER 52 CO 0.00 0.27 -1.60 0.58 -0.87 0.00 0.00 176.83 175.22 3k2s h VAL 53 N 0.00 1.06 -0.04 0.95 2.07 -1.07 -2.22 116.25 117.00 3k2s h VAL 53 Ca -0.00 -2.54 0.01 0.00 0.82 0.00 0.00 66.70 64.98 3k2s h VAL 53 Cb 0.63 2.85 -0.01 0.00 -1.52 0.00 0.00 31.29 33.24 3k2s h VAL 53 CO 0.04 0.82 -0.03 0.74 0.02 0.00 0.00 177.57 179.16 3k2s h THR 54 N 0.04 0.91 0.00 2.57 2.02 -1.45 -1.19 112.91 115.81 3k2s h THR 54 Ca -0.31 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3k2s h THR 54 Cb 2.05 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 3k2s h THR 54 CO 0.19 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.54 3k2s n SER 55 N -5.14 0.00 0.12 4.18 3.41 -0.06 -1.14 113.62 114.99 3k2s n SER 55 Ca -0.06 0.47 -0.23 0.00 -0.26 0.00 0.00 58.87 58.78 3k2s n SER 55 Cb 0.07 -0.48 -0.16 0.00 -0.26 0.00 0.00 64.21 63.38 3k2s n SER 55 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3k2s h THR 56 N 0.00 1.35 -0.66 6.66 2.02 -0.69 0.23 112.91 121.82 3k2s h THR 56 Ca 0.00 -2.65 -0.08 0.00 0.77 0.00 0.00 66.41 64.45 3k2s h THR 56 Cb 0.32 3.10 -0.03 0.00 -1.74 0.00 0.00 68.15 69.80 3k2s h THR 56 CO 0.00 0.78 0.12 -0.26 0.37 0.00 0.00 175.52 176.53 3k2s h PHE 57 N -0.01 1.15 0.71 3.16 0.04 -1.06 0.31 116.94 121.24 3k2s h PHE 57 Ca -0.22 -0.16 -0.03 0.00 2.80 0.00 0.00 57.97 60.36 3k2s h PHE 57 Cb 2.01 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 39.85 3k2s h PHE 57 CO 0.15 0.96 -0.39 1.03 -0.60 0.00 0.00 178.31 179.46 3k2s h SER 58 N 1.00 -0.97 -0.10 2.17 0.87 -1.24 -2.46 113.55 112.81 3k2s h SER 58 Ca 0.20 0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.83 3k2s h SER 58 Cb 0.43 0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.65 3k2s h SER 58 CO 0.01 -0.64 0.07 0.50 -0.53 0.00 0.00 176.83 176.25 3k2s h LYS 59 N -1.03 0.04 0.75 2.24 3.64 -0.44 0.14 116.57 121.91 3k2s h LYS 59 Ca -0.09 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 3k2s h LYS 59 Cb 0.81 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.63 3k2s h LYS 59 CO 0.12 0.03 -0.36 -0.07 -2.27 0.00 0.00 179.45 176.90 3k2s h LEU 60 N 0.04 -0.85 -1.36 5.20 3.38 -0.43 -0.52 115.31 120.77 3k2s h LEU 60 Ca 0.05 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3k2s h LEU 60 Cb 0.14 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3k2s h LEU 60 CO -0.00 -0.58 0.00 0.08 0.09 0.00 0.00 178.44 178.02 3k2s h ARG 61 N -1.06 0.00 -0.01 1.13 -0.00 -0.92 0.31 114.38 113.83 3k2s h ARG 61 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.88 3k2s h ARG 61 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.74 3k2s h ARG 61 CO 0.17 0.00 -0.12 0.39 -0.00 0.00 0.00 179.97 180.41 3k2s n GLU 62 N -2.52 1.36 -0.14 0.08 1.02 0.46 -2.84 120.64 118.06 3k2s n GLU 62 Ca 0.00 -1.06 -0.29 0.00 -0.02 0.00 0.00 57.16 55.79 3k2s n GLU 62 Cb 0.17 -1.23 -0.10 0.00 -0.02 0.00 0.00 31.44 30.26 3k2s n GLU 62 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3k2s n GLN 63 N 0.36 0.59 -0.69 3.49 7.27 -0.20 -4.28 117.38 123.91 3k2s n GLN 63 Ca 0.07 0.25 -0.06 0.00 0.07 0.00 0.00 57.00 57.34 3k2s n GLN 63 Cb 0.32 -1.48 -0.08 0.00 2.41 0.00 0.00 30.24 31.41 3k2s n GLN 63 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3k2s n LEU 64 N -4.21 4.85 0.05 1.69 4.77 0.11 -1.65 117.00 122.60 3k2s n LEU 64 Ca -0.54 -2.59 0.00 0.00 -0.03 0.00 0.00 56.01 52.85 3k2s n LEU 64 Cb 0.89 -1.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3k2s n LEU 64 CO 0.04 1.23 -0.05 0.61 -1.33 0.00 0.00 177.39 177.88 3k2s n GLY 65 N 2.05 -0.04 0.02 -0.72 0.00 -1.13 -3.43 105.19 101.94 3k2s n GLY 65 Ca 0.20 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.38 3k2s n GLY 65 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3k2s n PRO 66 N -3.44 0.88 -0.15 1.61 -0.04 -1.21 -2.95 135.00 129.70 3k2s n PRO 66 Ca 0.00 -0.04 0.08 0.00 -0.04 0.00 0.00 63.50 63.50 3k2s n PRO 66 Cb 0.05 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.13 3k2s n PRO 66 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3k2s n VAL 67 N -1.03 1.56 -2.60 0.52 3.14 -0.66 -4.43 118.33 114.83 3k2s n VAL 67 Ca 0.21 -1.87 -0.24 0.00 -2.96 0.00 0.00 64.34 59.48 3k2s n VAL 67 Cb 0.15 -0.11 0.12 0.00 -1.06 0.00 0.00 33.84 32.95 3k2s n VAL 67 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3k2s s THR 68 N -2.37 2.04 0.00 1.55 2.01 -1.15 -4.78 115.64 112.93 3k2s s THR 68 Ca 0.26 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.66 3k2s s THR 68 Cb 0.23 -2.43 0.00 0.00 0.01 0.00 0.00 72.50 70.31 3k2s s THR 68 CO 0.02 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 173.95 3k2s n GLN 69 N -2.90 0.00 -2.11 4.92 6.02 -1.25 -4.49 117.38 117.56 3k2s n GLN 69 Ca 0.16 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 57.08 3k2s n GLN 69 Cb 0.61 -0.09 0.05 0.00 1.02 0.00 0.00 30.24 31.84 3k2s n GLN 69 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3k2s n GLU 70 N 0.00 2.16 0.00 -1.09 1.02 -1.26 -4.86 120.64 116.61 3k2s n GLU 70 Ca 0.00 -3.52 0.00 0.00 -0.02 0.00 0.00 57.16 53.62 3k2s n GLU 70 Cb 0.00 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 3k2s n GLU 70 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 3k2s n PHE 71 N -0.56 0.00 0.54 -0.32 -1.74 -1.26 -4.87 117.46 109.24 3k2s n PHE 71 Ca 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.10 3k2s n PHE 71 Cb 0.89 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.89 3k2s n PHE 71 CO 0.00 0.00 0.00 0.91 -0.56 0.00 0.00 176.76 177.11 3k2s n TRP 72 N -1.39 0.00 -0.12 2.97 7.02 -1.26 -3.20 117.44 121.46 3k2s n TRP 72 Ca 0.00 -0.19 -0.26 0.00 -1.02 0.00 0.00 57.50 56.03 3k2s n TRP 72 Cb 0.00 -0.14 -0.11 0.00 -2.42 0.00 0.00 31.31 28.64 3k2s n TRP 72 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3k2s n ASP 73 N 0.58 1.92 -0.15 -0.99 2.03 -1.26 -4.63 116.55 114.05 3k2s n ASP 73 Ca 0.00 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.67 3k2s n ASP 73 Cb 0.23 -0.87 0.00 0.00 -0.72 0.00 0.00 41.12 39.76 3k2s n ASP 73 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3k2s n ASN 74 N -4.29 0.15 0.00 1.67 6.94 -1.19 -3.46 115.26 115.07 3k2s n ASN 74 Ca -0.45 -0.98 0.00 0.00 -0.02 0.00 0.00 54.58 53.13 3k2s n ASN 74 Cb 0.81 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 38.16 3k2s n ASN 74 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3k2s n LEU 75 N -0.27 0.00 -0.30 -4.53 -0.00 -1.26 -4.93 117.00 105.70 3k2s n LEU 75 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 56.02 3k2s n LEU 75 Cb 0.04 0.00 0.14 0.00 -0.00 0.00 0.00 43.42 43.59 3k2s n LEU 75 CO 0.00 0.00 1.18 -0.33 -0.00 0.00 0.00 177.39 178.24 3k2s h GLU 76 N 0.00 0.91 -1.10 1.47 5.08 -1.82 -2.95 114.58 116.17 3k2s h GLU 76 Ca 0.00 -0.05 0.32 0.00 -1.00 0.00 0.00 59.36 58.62 3k2s h GLU 76 Cb 0.00 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.00 3k2s h GLU 76 CO 0.00 0.60 0.85 0.87 -1.00 0.00 0.00 179.01 180.33 3k2s h LYS 77 N 0.93 0.00 -0.08 2.33 1.79 -1.92 -0.54 116.57 119.09 3k2s h LYS 77 Ca 0.37 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.75 3k2s h LYS 77 Cb 0.18 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 3k2s h LYS 77 CO -0.18 0.00 -0.34 0.93 -1.08 0.00 0.00 179.45 178.79 3k2s h GLU 78 N 0.00 0.15 0.00 3.15 4.39 -1.92 -1.77 114.58 118.58 3k2s h GLU 78 Ca 0.52 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.17 3k2s h GLU 78 Cb 2.21 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.85 3k2s h GLU 78 CO -0.01 0.48 -1.66 2.41 -1.16 0.00 0.00 179.01 179.07 3k2s n THR 79 N -4.10 0.00 -0.10 1.13 -1.04 -0.30 -2.60 114.28 107.28 3k2s n THR 79 Ca -0.01 -0.35 0.02 0.00 -2.04 0.00 0.00 64.05 61.66 3k2s n THR 79 Cb 0.41 0.20 0.33 0.00 -1.82 0.00 0.00 70.33 69.45 3k2s n THR 79 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3k2s h GLU 80 N 0.00 0.75 0.00 -2.82 5.08 -1.35 -1.54 114.58 114.70 3k2s h GLU 80 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3k2s h GLU 80 Cb 0.71 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3k2s h GLU 80 CO 0.00 0.51 0.00 0.41 -1.00 0.00 0.00 179.01 178.93 3k2s n GLY 81 N -1.40 -0.27 0.28 -3.84 0.00 -0.67 -3.35 105.19 95.93 3k2s n GLY 81 Ca 0.05 0.06 0.24 0.00 0.00 0.00 0.00 46.02 46.38 3k2s n GLY 81 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k2s n LEU 82 N -0.10 0.22 0.07 0.99 4.77 -0.70 -0.41 117.00 121.85 3k2s n LEU 82 Ca 0.00 1.43 -0.05 0.00 -0.03 0.00 0.00 56.01 57.36 3k2s n LEU 82 Cb 0.00 -0.66 0.14 0.00 -2.33 0.00 0.00 43.42 40.57 3k2s n LEU 82 CO 0.00 -1.57 0.54 0.08 -1.33 0.00 0.00 177.39 175.11 3k2s h ARG 83 N 0.00 0.31 -0.15 3.23 0.11 -1.47 0.16 114.38 116.57 3k2s h ARG 83 Ca 0.69 -0.18 -0.09 0.00 0.10 0.00 0.00 59.98 60.49 3k2s h ARG 83 Cb 1.76 0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.85 3k2s h ARG 83 CO -0.69 0.76 -0.26 0.37 0.10 0.00 0.00 179.97 180.25 3k2s h GLN 84 N 0.25 0.44 0.42 0.08 4.15 -0.73 -3.29 115.11 116.42 3k2s h GLN 84 Ca 0.01 -0.28 -0.02 0.00 0.77 0.00 0.00 58.65 59.14 3k2s h GLN 84 Cb 1.00 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 3k2s h GLN 84 CO 0.08 0.87 -0.33 0.93 -1.93 0.00 0.00 178.83 178.46 3k2s h GLU 85 N 0.06 -0.70 -1.47 1.69 4.39 -0.64 -1.04 114.58 116.87 3k2s h GLU 85 Ca 0.01 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3k2s h GLU 85 Cb 0.85 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 3k2s h GLU 85 CO 0.06 -0.47 0.00 -0.12 -1.16 0.00 0.00 179.01 177.32 3k2s n MET 86 N -4.41 0.77 0.00 2.33 1.56 0.03 -0.86 117.12 116.54 3k2s n MET 86 Ca -0.09 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.34 3k2s n MET 86 Cb 0.32 -1.11 0.00 0.00 2.15 0.00 0.00 33.22 34.57 3k2s n MET 86 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 3k2s n SER 87 N 0.92 0.00 0.00 6.12 3.41 -1.11 -4.93 113.62 118.03 3k2s n SER 87 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3k2s n SER 87 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 3k2s n SER 87 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3k2s n LYS 88 N 0.00 2.22 0.00 4.33 0.00 -0.04 -4.86 118.16 119.81 3k2s n LYS 88 Ca 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.09 3k2s n LYS 88 Cb 0.00 -0.69 0.00 0.00 -0.00 0.00 0.00 35.03 34.34 3k2s n LYS 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3k2s n ASP 89 N -0.38 0.00 -0.06 -5.58 8.00 -0.18 -4.23 116.55 114.12 3k2s n ASP 89 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 3k2s n ASP 89 Cb 0.02 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.12 3k2s n ASP 89 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3k2s n LEU 90 N -0.68 -0.14 0.18 0.64 -0.00 -1.26 -4.01 117.00 111.73 3k2s n LEU 90 Ca 0.00 0.28 0.11 0.00 -0.00 0.00 0.00 56.01 56.40 3k2s n LEU 90 Cb 0.00 -0.05 0.11 0.00 -0.00 0.00 0.00 43.42 43.49 3k2s n LEU 90 CO 0.00 -0.24 0.56 -0.08 -0.00 0.00 0.00 177.39 177.63 3k2s h GLU 91 N 0.00 0.00 -0.56 1.96 4.57 -2.02 -2.32 114.58 116.21 3k2s h GLU 91 Ca 0.04 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 3k2s h GLU 91 Cb 0.08 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 3k2s h GLU 91 CO -0.15 0.02 0.32 1.49 -1.18 0.00 0.00 179.01 179.51 3k2s h GLU 92 N 0.00 0.77 0.02 1.92 4.57 -1.95 -3.42 114.58 116.48 3k2s h GLU 92 Ca -0.00 -0.08 -0.16 0.00 -1.18 0.00 0.00 59.36 57.94 3k2s h GLU 92 Cb 1.02 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.44 3k2s h GLU 92 CO 0.00 0.58 -0.86 0.28 -1.18 0.00 0.00 179.01 177.83 3k2s h VAL 93 N 0.75 1.23 0.00 0.32 2.07 -1.64 -0.88 116.25 118.10 3k2s h VAL 93 Ca 0.20 -2.27 0.00 0.00 0.82 0.00 0.00 66.70 65.45 3k2s h VAL 93 Cb 0.02 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 3k2s h VAL 93 CO -0.03 0.47 0.00 2.29 0.02 0.00 0.00 177.57 180.31 3k2s n LYS 94 N -4.42 0.81 -0.03 1.57 -0.00 -1.24 -2.79 118.16 112.05 3k2s n LYS 94 Ca -0.24 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.02 3k2s n LYS 94 Cb 0.65 -1.21 -0.03 0.00 -0.00 0.00 0.00 35.03 34.43 3k2s n LYS 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3k2s n ALA 95 N -0.71 2.00 -0.16 0.58 0.00 -1.22 -4.83 120.51 116.17 3k2s n ALA 95 Ca 0.08 -0.29 -0.06 0.00 0.00 0.00 0.00 53.44 53.17 3k2s n ALA 95 Cb 0.04 0.36 -0.00 0.00 0.00 0.00 0.00 19.45 19.84 3k2s n ALA 95 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3k2s h LYS 96 N -0.06 -0.19 0.25 0.00 1.63 -1.00 -3.35 116.57 113.85 3k2s h LYS 96 Ca -0.16 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.64 3k2s h LYS 96 Cb 1.22 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 3k2s h LYS 96 CO -0.04 -0.13 -0.12 -0.24 -3.45 0.00 0.00 179.45 175.47 3k2s h VAL 97 N -0.20 0.80 -0.89 2.00 3.04 -1.81 -3.39 116.25 115.80 3k2s h VAL 97 Ca 0.20 -0.64 0.18 0.00 -1.01 0.00 0.00 66.70 65.44 3k2s h VAL 97 Cb 0.54 1.15 -0.17 0.00 -2.01 0.00 0.00 31.29 30.80 3k2s h VAL 97 CO -0.61 0.13 -0.21 0.00 -1.01 0.00 0.00 177.57 175.88 3k2s n GLN 98 N -5.09 -0.08 0.05 4.17 3.00 -1.26 -1.79 117.38 116.38 3k2s n GLN 98 Ca -0.09 1.38 -0.07 0.00 -0.01 0.00 0.00 57.00 58.21 3k2s n GLN 98 Cb 0.25 -2.07 0.09 0.00 0.00 0.00 0.00 30.24 28.50 3k2s n GLN 98 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 3k2s h PRO 99 N 0.00 0.38 0.00 -1.09 0.13 -1.82 -3.30 132.00 126.30 3k2s h PRO 99 Ca 0.43 -0.25 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 3k2s h PRO 99 Cb 0.68 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.84 3k2s h PRO 99 CO -0.91 0.86 -0.07 0.10 -0.23 0.00 0.00 178.00 177.75 3k2s h TYR 100 N 0.28 0.00 -0.88 1.56 -0.00 -1.57 -3.07 116.97 113.29 3k2s h TYR 100 Ca -0.00 0.00 0.25 0.00 -0.00 0.00 0.00 58.73 58.98 3k2s h TYR 100 Cb 1.12 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 37.81 3k2s h TYR 100 CO 0.03 0.07 0.63 -0.07 -0.00 0.00 0.00 178.16 178.83 3k2s h LEU 101 N 0.00 0.03 -0.88 0.10 3.38 -1.64 -2.25 115.31 114.06 3k2s h LEU 101 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3k2s h LEU 101 Cb 0.59 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3k2s h LEU 101 CO 0.01 0.01 0.02 -0.78 0.09 0.00 0.00 178.44 177.80 3k2s h ASP 102 N 0.03 0.81 1.16 -0.43 -0.00 -1.77 -2.94 116.42 113.29 3k2s h ASP 102 Ca 0.42 -0.19 0.00 0.00 -0.00 0.00 0.00 57.03 57.26 3k2s h ASP 102 Cb 1.64 -0.22 0.00 0.00 -0.00 0.00 0.00 39.33 40.76 3k2s h ASP 102 CO -0.02 0.86 -0.67 -0.78 -0.00 0.00 0.00 179.24 178.63 3k2s h ASP 103 N 0.80 0.00 0.21 2.28 1.82 -1.64 -3.35 116.42 116.53 3k2s h ASP 103 Ca 0.16 -0.06 -0.03 0.00 -0.39 0.00 0.00 57.03 56.70 3k2s h ASP 103 Cb 0.44 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.45 3k2s h ASP 103 CO 0.02 0.03 -0.14 0.15 -1.61 0.00 0.00 179.24 177.68 3k2s h PHE 104 N 0.00 0.00 0.20 0.28 -0.00 -1.31 -2.35 116.94 113.77 3k2s h PHE 104 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 3k2s h PHE 104 Cb 0.92 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 36.83 3k2s h PHE 104 CO 0.00 0.14 -0.45 0.37 -0.00 0.00 0.00 178.31 178.38 3k2s h GLN 105 N 0.00 -0.69 -2.00 1.11 5.75 -1.68 -2.64 115.11 114.95 3k2s h GLN 105 Ca -0.00 0.05 -0.16 0.00 -0.15 0.00 0.00 58.65 58.39 3k2s h GLN 105 Cb 0.29 0.16 -0.06 0.00 1.07 0.00 0.00 27.48 28.94 3k2s h GLN 105 CO 0.02 -0.46 -0.32 1.17 -2.65 0.00 0.00 178.83 176.59 3k2s n LYS 106 N -5.03 1.82 0.00 1.69 0.00 -0.89 -2.55 118.16 113.19 3k2s n LYS 106 Ca -0.08 -0.82 0.00 0.00 0.00 0.00 0.00 58.31 57.40 3k2s n LYS 106 Cb 0.37 -1.83 0.00 0.00 0.00 0.00 0.00 35.03 33.57 3k2s n LYS 106 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3k2s n LYS 107 N 2.33 0.00 -0.12 1.64 5.02 -1.21 -4.68 118.16 121.14 3k2s n LYS 107 Ca 0.35 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.66 3k2s n LYS 107 Cb 0.84 -0.11 0.32 0.00 -0.02 0.00 0.00 35.03 36.06 3k2s n LYS 107 CO 0.00 0.00 0.00 2.35 -0.52 0.00 0.00 177.40 179.23 3k2s h TRP 108 N 0.00 0.76 -0.00 2.13 7.01 -1.19 0.86 115.95 125.52 3k2s h TRP 108 Ca 0.00 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.02 3k2s h TRP 108 Cb 0.00 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 26.80 3k2s h TRP 108 CO 0.00 0.49 -0.00 1.04 -2.79 0.00 0.00 178.44 177.18 3k2s n GLN 109 N -4.44 1.02 -0.09 2.65 3.00 -1.12 -0.39 117.38 118.00 3k2s n GLN 109 Ca 0.06 -0.03 -0.14 0.00 -0.01 0.00 0.00 57.00 56.88 3k2s n GLN 109 Cb 0.05 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 28.72 3k2s n GLN 109 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 3k2s n GLU 110 N -0.97 0.51 -0.14 -1.09 0.00 -0.65 -4.36 120.64 113.95 3k2s n GLU 110 Ca 0.24 0.50 -0.09 0.00 0.00 0.00 0.00 57.16 57.81 3k2s n GLU 110 Cb 0.12 -1.68 -0.01 0.00 0.00 0.00 0.00 31.44 29.87 3k2s n GLU 110 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3k2s h GLU 111 N -1.00 0.65 0.00 5.31 5.08 -0.76 -3.22 114.58 120.64 3k2s h GLU 111 Ca -0.20 -0.15 -0.35 0.00 -1.00 0.00 0.00 59.36 57.66 3k2s h GLU 111 Cb 0.96 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.06 3k2s h GLU 111 CO -0.12 0.66 -2.20 -1.33 -1.00 0.00 0.00 179.01 175.02 3k2s n MET 112 N -4.56 0.67 -0.00 2.33 2.81 0.48 -3.55 117.12 115.30 3k2s n MET 112 Ca -0.00 0.09 -0.12 0.00 -1.81 0.00 0.00 57.70 55.86 3k2s n MET 112 Cb 0.20 -1.60 -0.08 0.00 -0.71 0.00 0.00 33.22 31.03 3k2s n MET 112 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3k2s h GLU 113 N 0.00 0.04 0.00 0.03 4.39 -1.71 -2.95 114.58 114.39 3k2s h GLU 113 Ca -0.48 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3k2s h GLU 113 Cb 2.16 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.80 3k2s h GLU 113 CO 0.04 0.31 0.00 1.28 -1.16 0.00 0.00 179.01 179.48 3k2s n LEU 114 N -4.92 0.66 0.02 1.33 4.77 -1.21 -2.50 117.00 115.14 3k2s n LEU 114 Ca -0.07 0.64 -0.05 0.00 -0.03 0.00 0.00 56.01 56.49 3k2s n LEU 114 Cb 0.16 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.70 3k2s n LEU 114 CO 0.34 -0.46 0.14 0.22 -1.33 0.00 0.00 177.39 176.30 3k2s h TYR 115 N 0.00 -0.16 0.00 -1.77 5.03 -1.58 -3.29 116.97 115.20 3k2s h TYR 115 Ca 0.00 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.27 3k2s h TYR 115 Cb 0.44 0.05 -0.00 0.00 1.55 0.00 0.00 36.73 38.77 3k2s h TYR 115 CO 0.00 0.04 -0.16 0.07 -1.32 0.00 0.00 178.16 176.79 3k2s h ARG 116 N -1.02 0.00 -0.79 1.82 0.11 -1.57 0.33 114.38 113.26 3k2s h ARG 116 Ca -0.02 0.00 0.15 0.00 0.10 0.00 0.00 59.98 60.22 3k2s h ARG 116 Cb 0.27 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.30 3k2s h ARG 116 CO 0.03 0.16 0.52 0.37 0.10 0.00 0.00 179.97 181.15 3k2s h GLN 117 N 0.00 0.43 0.00 0.08 4.15 -1.63 -2.31 115.11 115.84 3k2s h GLN 117 Ca -0.00 -0.03 -0.19 0.00 0.77 0.00 0.00 58.65 59.21 3k2s h GLN 117 Cb 0.38 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 3k2s h GLN 117 CO 0.02 0.28 -1.36 1.63 -1.93 0.00 0.00 178.83 177.47 3k2s n LYS 118 N -4.49 0.54 0.32 1.69 5.02 -0.71 -4.62 118.16 115.91 3k2s n LYS 118 Ca 0.15 0.40 0.20 0.00 -2.02 0.00 0.00 58.31 57.05 3k2s n LYS 118 Cb 0.54 -1.60 1.11 0.00 -0.02 0.00 0.00 35.03 35.07 3k2s n LYS 118 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3k2s h VAL 119 N -1.00 0.13 0.16 -0.18 2.07 -0.33 0.36 116.25 117.46 3k2s h VAL 119 Ca -0.28 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3k2s h VAL 119 Cb 1.13 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3k2s h VAL 119 CO -0.17 0.00 -0.08 -0.33 0.02 0.00 0.00 177.57 177.01 3k2s h GLU 120 N 0.00 -0.21 0.00 1.57 5.08 -1.67 -3.36 114.58 115.99 3k2s h GLU 120 Ca 0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3k2s h GLU 120 Cb 0.09 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3k2s h GLU 120 CO -0.00 -0.14 0.00 -0.35 -1.00 0.00 0.00 179.01 177.52 3k2s n PRO 121 N -2.98 0.05 0.29 2.33 -0.04 -0.93 -1.99 135.00 131.73 3k2s n PRO 121 Ca -0.03 0.27 0.15 0.00 -0.04 0.00 0.00 63.50 63.85 3k2s n PRO 121 Cb 0.09 -1.50 0.87 0.00 -0.04 0.00 0.00 33.50 32.91 3k2s n PRO 121 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3k2s h LEU 122 N 0.00 0.00 -0.28 1.53 5.85 -0.44 -3.32 115.31 118.65 3k2s h LEU 122 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3k2s h LEU 122 Cb 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3k2s h LEU 122 CO 0.00 0.05 0.00 0.54 -0.34 0.00 0.00 178.44 178.69 3k2s n ARG 123 N -3.69 -0.00 0.20 1.25 5.12 -0.89 -4.83 116.66 113.82 3k2s n ARG 123 Ca -0.02 -0.14 0.14 0.00 -1.93 0.00 0.00 57.85 55.90 3k2s n ARG 123 Cb 0.14 -0.60 0.60 0.00 -1.16 0.00 0.00 32.46 31.45 3k2s n ARG 123 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3k2s h ALA 124 N 0.00 1.00 0.00 7.54 0.00 -1.50 0.25 119.26 126.56 3k2s h ALA 124 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3k2s h ALA 124 Cb 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3k2s h ALA 124 CO 0.00 0.00 -0.17 1.05 0.00 0.00 0.00 179.25 180.13 3k2s h GLU 125 N 0.00 0.00 -0.00 0.00 -0.00 -1.88 -3.40 114.58 109.30 3k2s h GLU 125 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3k2s h GLU 125 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.15 3k2s h GLU 125 CO 0.00 0.30 -0.21 1.28 -0.00 0.00 0.00 179.01 180.37 3k2s n LEU 126 N -4.69 0.64 0.08 3.06 4.77 -1.17 -0.55 117.00 119.14 3k2s n LEU 126 Ca -0.06 -0.06 -0.08 0.00 -0.03 0.00 0.00 56.01 55.79 3k2s n LEU 126 Cb 0.20 -0.19 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3k2s n LEU 126 CO 0.11 0.13 0.30 0.06 -1.33 0.00 0.00 177.39 176.65 3k2s h GLN 127 N 0.68 0.20 0.17 3.23 3.07 -1.18 -1.28 115.11 120.00 3k2s h GLN 127 Ca 0.00 -0.20 -0.34 0.00 0.09 0.00 0.00 58.65 58.19 3k2s h GLN 127 Cb 0.44 0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.06 3k2s h GLN 127 CO 0.00 0.92 -1.73 0.93 0.09 0.00 0.00 178.83 179.04 3k2s h GLU 128 N 0.12 0.35 -0.31 0.06 4.39 -1.74 -3.36 114.58 114.09 3k2s h GLU 128 Ca -0.04 -0.60 0.00 0.00 0.34 0.00 0.00 59.36 59.06 3k2s h GLU 128 Cb 1.43 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.30 3k2s h GLU 128 CO 0.13 1.26 0.00 0.41 -1.16 0.00 0.00 179.01 179.64 3k2s n GLY 129 N 1.83 0.69 0.32 -3.84 0.00 0.29 -2.94 105.19 101.54 3k2s n GLY 129 Ca -0.24 -0.44 0.14 0.00 0.00 0.00 0.00 46.02 45.49 3k2s n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k2s h ALA 130 N 3.89 2.09 0.00 4.61 0.00 -1.38 -2.27 119.26 126.20 3k2s h ALA 130 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3k2s h ALA 130 Cb 0.54 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3k2s h ALA 130 CO 0.00 -0.27 0.00 0.54 0.00 0.00 0.00 179.25 179.52 3k2s n ARG 131 N -4.30 0.87 -0.06 0.00 1.74 -1.15 -0.87 116.66 112.90 3k2s n ARG 131 Ca 0.02 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.03 3k2s n ARG 131 Cb 0.30 -1.36 -0.06 0.00 -1.02 0.00 0.00 32.46 30.32 3k2s n ARG 131 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3k2s h GLN 132 N 0.00 0.00 -0.54 5.56 4.15 -1.66 -3.39 115.11 119.23 3k2s h GLN 132 Ca 0.00 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.54 3k2s h GLN 132 Cb 0.00 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 3k2s h GLN 132 CO 0.00 0.50 0.37 0.87 -1.93 0.00 0.00 178.83 178.64 3k2s h LYS 133 N -1.00 0.17 0.00 1.69 1.79 -1.43 -0.37 116.57 117.42 3k2s h LYS 133 Ca -0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3k2s h LYS 133 Cb 0.51 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 3k2s h LYS 133 CO -0.00 0.11 0.00 -0.07 -1.08 0.00 0.00 179.45 178.41 3k2s h LEU 134 N 0.18 0.00 0.00 2.94 3.38 -1.21 -1.95 115.31 118.65 3k2s h LEU 134 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3k2s h LEU 134 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3k2s h LEU 134 CO -0.04 0.00 -0.25 1.41 0.09 0.00 0.00 178.44 179.65 3k2s n HIS 135 N -2.93 0.19 0.64 1.13 8.25 -0.15 -0.41 115.22 121.94 3k2s n HIS 135 Ca 0.00 0.06 0.11 0.00 -0.26 0.00 0.00 57.72 57.63 3k2s n HIS 135 Cb 0.25 -0.50 0.27 0.00 1.12 0.00 0.00 29.99 31.13 3k2s n HIS 135 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3k2s n GLU 136 N -1.68 2.19 0.07 -0.41 1.02 -0.76 -4.48 120.64 116.59 3k2s n GLU 136 Ca 0.06 -1.80 0.00 0.00 -0.02 0.00 0.00 57.16 55.40 3k2s n GLU 136 Cb 0.36 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 3k2s n GLU 136 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3k2s n LEU 137 N 1.01 -0.03 -0.19 -4.62 4.77 -1.07 -4.79 117.00 112.08 3k2s n LEU 137 Ca 0.18 0.22 -0.09 0.00 -0.03 0.00 0.00 56.01 56.29 3k2s n LEU 137 Cb 0.48 0.16 0.04 0.00 -2.33 0.00 0.00 43.42 41.77 3k2s n LEU 137 CO 0.14 -0.61 0.80 -0.61 -1.33 0.00 0.00 177.39 175.78 3k2s h GLN 138 N 0.00 1.04 0.00 3.23 -0.00 -1.01 0.22 115.11 118.59 3k2s h GLN 138 Ca 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 58.65 58.31 3k2s h GLN 138 Cb 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 27.45 3k2s h GLN 138 CO 0.00 1.04 0.00 0.39 0.00 0.00 0.00 178.83 180.26 3k2s n GLU 139 N -4.17 0.67 0.00 1.69 4.71 -1.26 -3.37 120.64 118.91 3k2s n GLU 139 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 3k2s n GLU 139 Cb 0.37 -1.45 0.00 0.00 -1.01 0.00 0.00 31.44 29.34 3k2s n GLU 139 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3k2s n LYS 140 N -0.95 5.54 0.00 3.49 5.02 -0.46 -4.49 118.16 126.31 3k2s n LYS 140 Ca 0.14 -0.03 0.06 0.00 -2.02 0.00 0.00 58.31 56.46 3k2s n LYS 140 Cb 0.07 -0.47 0.30 0.00 -0.02 0.00 0.00 35.03 34.91 3k2s n LYS 140 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3k2s n LEU 141 N -0.80 0.00 0.13 -0.35 4.77 -0.06 -0.78 117.00 119.91 3k2s n LEU 141 Ca 0.00 0.29 -0.06 0.00 -0.03 0.00 0.00 56.01 56.21 3k2s n LEU 141 Cb 0.00 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 3k2s n LEU 141 CO 0.00 -0.18 0.17 0.77 -1.33 0.00 0.00 177.39 176.82 3k2s h SER 142 N 0.00 -0.34 0.96 -1.43 4.64 -1.79 -1.75 113.55 113.85 3k2s h SER 142 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3k2s h SER 142 Cb 0.11 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3k2s h SER 142 CO 0.00 0.09 0.00 1.55 -0.87 0.00 0.00 176.83 177.60 3k2s h PRO 143 N -1.06 0.00 0.00 4.77 0.13 -1.83 -1.15 132.00 132.86 3k2s h PRO 143 Ca -0.04 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.99 3k2s h PRO 143 Cb 0.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.42 3k2s h PRO 143 CO 0.07 0.00 -1.02 -0.07 -0.23 0.00 0.00 178.00 176.74 3k2s h LEU 144 N 0.00 0.00 0.00 1.56 3.38 -1.13 -3.45 115.31 115.67 3k2s h LEU 144 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k2s h LEU 144 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3k2s h LEU 144 CO 0.00 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.50 3k2s n GLY 145 N 1.28 0.03 0.36 0.83 0.00 -0.70 -4.60 105.19 102.40 3k2s n GLY 145 Ca -0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.07 3k2s n GLY 145 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3k2s h GLU 146 N 0.00 0.00 0.00 1.61 4.57 -0.78 0.30 114.58 120.28 3k2s h GLU 146 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3k2s h GLU 146 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3k2s h GLU 146 CO 0.00 0.00 0.00 -0.85 -1.18 0.00 0.00 179.01 176.98 3k2s n GLU 147 N -2.76 -0.08 0.03 1.92 -0.00 -1.18 -4.16 120.64 114.40 3k2s n GLU 147 Ca 0.02 -0.51 -0.13 0.00 -0.00 0.00 0.00 57.16 56.54 3k2s n GLU 147 Cb 0.85 -0.83 -0.14 0.00 -0.00 0.00 0.00 31.44 31.32 3k2s n GLU 147 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.13 179.11 3k2s h MET 148 N 0.00 0.12 -0.56 3.44 4.05 -1.20 -3.05 114.93 117.73 3k2s h MET 148 Ca 0.00 -0.20 0.06 0.00 -0.28 0.00 0.00 59.70 59.28 3k2s h MET 148 Cb 0.28 0.08 -0.09 0.00 -0.80 0.00 0.00 31.60 31.07 3k2s h MET 148 CO 0.00 0.88 -0.56 -0.09 0.23 0.00 0.00 176.91 177.37 3k2s h ARG 149 N 0.03 -0.27 0.00 0.39 2.43 -0.75 -2.95 114.38 113.26 3k2s h ARG 149 Ca -0.24 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.93 3k2s h ARG 149 Cb 1.98 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 31.58 3k2s h ARG 149 CO 0.12 -0.18 -0.11 0.22 -1.51 0.00 0.00 179.97 178.51 3k2s h ASP 150 N -0.28 0.00 0.30 -3.80 1.82 -1.72 -1.18 116.42 111.55 3k2s h ASP 150 Ca 0.09 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.73 3k2s h ASP 150 Cb 0.53 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.54 3k2s h ASP 150 CO -0.68 0.11 -0.02 -0.09 -1.61 0.00 0.00 179.24 176.96 3k2s h ARG 151 N 0.00 0.00 -0.57 0.28 2.43 -1.40 -1.32 114.38 113.81 3k2s h ARG 151 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3k2s h ARG 151 Cb 0.40 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 3k2s h ARG 151 CO 0.01 0.02 0.30 0.00 -1.51 0.00 0.00 179.97 178.80 3k2s h ALA 152 N 1.98 1.47 0.16 2.80 0.00 -1.20 0.45 119.26 124.91 3k2s h ALA 152 Ca -0.00 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.61 3k2s h ALA 152 Cb 0.17 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 17.75 3k2s h ALA 152 CO 0.00 0.44 -0.92 -0.09 0.00 0.00 0.00 179.25 178.68 3k2s h ARG 153 N 0.79 0.34 -0.16 0.00 2.43 -1.63 -3.24 114.38 112.91 3k2s h ARG 153 Ca 0.20 -0.58 0.05 0.00 -0.81 0.00 0.00 59.98 58.84 3k2s h ARG 153 Cb 0.03 0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 3k2s h ARG 153 CO -0.03 1.28 0.13 0.00 -1.51 0.00 0.00 179.97 179.84 3k2s h ALA 154 N 0.09 1.98 0.27 2.80 0.00 -0.89 -0.51 119.26 123.00 3k2s h ALA 154 Ca -0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3k2s h ALA 154 Cb 1.73 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3k2s h ALA 154 CO 0.17 -0.22 -0.13 0.45 0.00 0.00 0.00 179.25 179.53 3k2s h HIS 155 N 0.00 -0.33 -1.27 0.00 3.86 -1.05 -3.37 115.15 112.99 3k2s h HIS 155 Ca 0.08 -0.01 -0.13 0.00 -1.16 0.00 0.00 60.37 59.15 3k2s h HIS 155 Cb 0.34 0.11 -0.23 0.00 1.06 0.00 0.00 27.41 28.69 3k2s h HIS 155 CO 0.00 -0.07 -0.50 0.14 0.86 0.00 0.00 177.93 178.35 3k2s s VAL 156 N -5.29 -0.81 0.01 2.45 -7.23 -0.29 -4.79 120.40 104.46 3k2s s VAL 156 Ca -0.15 -0.26 0.06 0.00 -1.81 0.00 0.00 61.98 59.82 3k2s s VAL 156 Cb 0.03 -0.34 -0.02 0.00 0.56 0.00 0.00 36.38 36.61 3k2s s VAL 156 CO 0.60 -0.16 -0.19 -0.62 -0.31 0.00 0.00 175.10 174.43 3k2s s ASP 157 N 1.91 2.19 -0.62 4.85 3.68 -0.68 -4.48 116.67 123.51 3k2s s ASP 157 Ca 0.15 -0.40 -0.15 0.00 2.13 0.00 0.00 52.55 54.28 3k2s s ASP 157 Cb -0.08 -0.21 -0.13 0.00 -1.45 0.00 0.00 42.92 41.05 3k2s s ASP 157 CO -0.10 0.18 1.83 0.00 0.13 0.00 0.00 175.17 177.21 3k2s n ALA 158 N 2.31 3.16 0.00 3.66 0.00 -0.93 -4.64 120.51 124.07 3k2s n ALA 158 Ca -0.16 -2.38 0.00 0.00 0.00 0.00 0.00 53.44 50.90 3k2s n ALA 158 Cb 0.54 -3.30 0.00 0.00 0.00 0.00 0.00 19.45 16.69 3k2s n ALA 158 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3k2s n LEU 159 N 6.29 0.00 -2.89 0.00 4.32 -1.26 -4.82 117.00 118.64 3k2s n LEU 159 Ca 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.40 3k2s n LEU 159 Cb 0.27 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.07 3k2s n LEU 159 CO 0.88 0.00 0.82 -2.11 -1.22 0.00 0.00 177.39 175.76 3k2s n ARG 160 N 0.00 0.00 -3.24 3.23 1.85 -1.26 -4.84 116.66 112.40 3k2s n ARG 160 Ca 0.00 -0.34 -0.38 0.00 -1.00 0.00 0.00 57.85 56.12 3k2s n ARG 160 Cb 0.00 -1.81 -0.06 0.00 -1.05 0.00 0.00 32.46 29.54 3k2s n ARG 160 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3k2s s THR 161 N 4.26 5.15 0.23 8.89 2.01 -1.26 -5.11 115.64 129.81 3k2s s THR 161 Ca 0.00 1.08 -0.02 0.00 0.31 0.00 0.00 61.69 63.07 3k2s s THR 161 Cb 0.00 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 3k2s s THR 161 CO 0.00 0.30 0.44 -1.00 -0.69 0.00 0.00 174.62 173.67 3k2s s HIS 162 N 0.71 3.48 -1.07 4.92 3.76 -1.26 -5.02 115.29 120.82 3k2s s HIS 162 Ca 0.29 0.42 0.27 0.00 -0.15 0.00 0.00 55.06 55.89 3k2s s HIS 162 Cb -0.16 -1.92 1.19 0.00 1.11 0.00 0.00 32.58 32.81 3k2s s HIS 162 CO 0.12 0.31 1.88 1.28 -0.85 0.00 0.00 174.74 177.48 3k2s n LEU 163 N -0.81 0.00 -3.73 0.89 4.32 -1.26 -4.76 117.00 111.65 3k2s n LEU 163 Ca -0.04 0.46 -0.14 0.00 -0.02 0.00 0.00 56.01 56.28 3k2s n LEU 163 Cb 0.54 -0.46 -0.09 0.00 -1.62 0.00 0.00 43.42 41.79 3k2s n LEU 163 CO 0.48 -0.03 0.08 0.00 -1.22 0.00 0.00 177.39 176.70 3k2s s ALA 164 N -2.93 -0.94 0.32 -1.18 0.00 -1.26 -5.08 121.76 110.69 3k2s s ALA 164 Ca 0.15 0.69 0.06 0.00 0.00 0.00 0.00 51.96 52.86 3k2s s ALA 164 Cb 0.18 -0.18 0.72 0.00 0.00 0.00 0.00 23.12 23.84 3k2s s ALA 164 CO 0.48 -0.25 1.84 -1.35 0.00 0.00 0.00 175.76 176.48 3k2s h PRO 165 N 4.34 0.78 -5.60 0.00 0.11 -2.04 -3.39 132.00 126.20 3k2s h PRO 165 Ca -0.28 -0.05 -0.25 0.00 0.11 0.00 0.00 66.00 65.53 3k2s h PRO 165 Cb 1.18 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3k2s h PRO 165 CO 0.35 0.52 0.71 0.71 -0.21 0.00 0.00 178.00 180.08 3k2s s TYR 166 N -5.80 1.42 0.00 0.65 2.02 -1.26 -4.32 117.35 110.05 3k2s s TYR 166 Ca -0.11 1.31 0.00 0.00 -0.37 0.00 0.00 57.07 57.90 3k2s s TYR 166 Cb 0.23 -3.75 0.00 0.00 -0.40 0.00 0.00 41.96 38.04 3k2s s TYR 166 CO 0.80 -1.89 0.00 -1.13 -1.57 0.00 0.00 175.55 171.76 3k2s n SER 167 N 15.85 0.00 -4.72 2.29 3.41 -1.26 -5.06 113.62 124.13 3k2s n SER 167 Ca 0.39 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.58 3k2s n SER 167 Cb 0.48 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 3k2s n SER 167 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3k2s s ASP 168 N 2.00 6.87 -0.51 4.04 -0.00 -1.26 -5.02 116.67 122.79 3k2s s ASP 168 Ca 0.00 2.32 -0.21 0.00 -0.00 0.00 0.00 52.55 54.67 3k2s s ASP 168 Cb 0.00 -2.59 0.05 0.00 -0.00 0.00 0.00 42.92 40.38 3k2s s ASP 168 CO 0.00 -0.59 0.72 -0.70 -0.00 0.00 0.00 175.17 174.60 3k2s s GLU 169 N 0.67 3.19 0.02 8.23 2.12 -1.26 -5.05 118.70 126.62 3k2s s GLU 169 Ca 0.61 -0.68 0.05 0.00 0.36 0.00 0.00 54.97 55.32 3k2s s GLU 169 Cb -0.36 -4.08 -0.02 0.00 0.26 0.00 0.00 34.13 29.94 3k2s s GLU 169 CO 0.33 -1.28 -0.16 -0.51 -0.54 0.00 0.00 175.26 173.10 3k2s s LEU 170 N 3.02 2.12 -0.04 2.70 1.43 -1.26 -5.16 118.68 121.49 3k2s s LEU 170 Ca 0.20 -0.40 -0.21 0.00 -1.03 0.00 0.00 54.13 52.69 3k2s s LEU 170 Cb -0.17 -0.73 0.04 0.00 0.03 0.00 0.00 46.19 45.37 3k2s s LEU 170 CO 0.14 0.11 0.46 0.00 0.23 0.00 0.00 176.35 177.29 3k2s s ARG 171 N -0.87 0.80 0.78 1.70 3.03 -1.26 -5.19 118.95 117.94 3k2s s ARG 171 Ca 0.04 0.06 -0.15 0.00 2.03 0.00 0.00 55.73 57.71 3k2s s ARG 171 Cb -0.07 0.37 -0.12 0.00 -1.03 0.00 0.00 34.95 34.09 3k2s s ARG 171 CO 0.01 -0.22 -0.73 0.00 -1.13 0.00 0.00 175.30 173.22 3k2s n GLN 172 N 1.30 0.00 0.13 3.89 0.00 -1.26 -4.98 117.38 116.47 3k2s n GLN 172 Ca -0.20 0.00 -0.13 0.00 0.00 0.00 0.00 57.00 56.67 3k2s n GLN 172 Cb 0.56 -0.78 -0.07 0.00 0.00 0.00 0.00 30.24 29.96 3k2s n GLN 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3k2s h ARG 173 N -0.78 -0.29 0.00 2.61 2.47 -2.09 -3.47 114.38 112.84 3k2s h ARG 173 Ca -0.33 0.02 -0.09 0.00 -1.26 0.00 0.00 59.98 58.31 3k2s h ARG 173 Cb 1.02 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.39 3k2s h ARG 173 CO 0.18 -0.19 -1.29 -0.11 0.56 0.00 0.00 179.97 179.11 3k2s n LEU 174 N -5.24 0.79 -4.85 3.04 7.94 -1.26 -5.06 117.00 112.36 3k2s n LEU 174 Ca -0.08 0.33 -0.31 0.00 -1.11 0.00 0.00 56.01 54.83 3k2s n LEU 174 Cb 0.16 0.02 -0.03 0.00 0.53 0.00 0.00 43.42 44.10 3k2s n LEU 174 CO 0.33 0.00 0.62 0.00 -1.11 0.00 0.00 177.39 177.23 3k2s s ALA 175 N -3.14 3.15 0.00 1.96 0.00 -1.26 -4.67 121.76 117.80 3k2s s ALA 175 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.98 3k2s s ALA 175 Cb 0.09 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.21 3k2s s ALA 175 CO 0.81 -0.21 0.00 0.00 0.00 0.00 0.00 175.76 176.35 3k2s n ALA 176 N -1.61 0.00 -0.01 0.00 0.00 -1.26 -4.76 120.51 112.86 3k2s n ALA 176 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.53 3k2s n ALA 176 Cb 0.54 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.40 3k2s n ALA 176 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3k2s h ARG 177 N 0.00 0.57 0.11 0.00 2.43 -2.00 -1.95 114.38 113.54 3k2s h ARG 177 Ca 0.00 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 58.98 3k2s h ARG 177 Cb 0.00 -0.13 0.02 0.00 -0.42 0.00 0.00 29.97 29.44 3k2s h ARG 177 CO 0.00 0.38 -0.70 -0.07 -1.51 0.00 0.00 179.97 178.07 3k2s h LEU 178 N 0.59 0.37 -0.78 3.80 3.38 -1.86 -3.17 115.31 117.65 3k2s h LEU 178 Ca 0.16 -0.95 -0.11 0.00 0.09 0.00 0.00 57.88 57.06 3k2s h LEU 178 Cb -0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3k2s h LEU 178 CO -0.03 1.33 -0.25 -0.33 0.09 0.00 0.00 178.44 179.25 3k2s h GLU 179 N -0.49 0.65 -0.89 1.13 3.07 -1.86 -1.78 114.58 114.42 3k2s h GLU 179 Ca -0.13 -0.26 0.03 0.00 -0.50 0.00 0.00 59.36 58.50 3k2s h GLU 179 Cb 1.53 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 29.36 3k2s h GLU 179 CO 0.12 0.84 0.58 0.00 -1.40 0.00 0.00 179.01 179.14 3k2s h ALA 180 N 1.16 1.16 0.00 3.43 0.00 -1.46 -0.65 119.26 122.90 3k2s h ALA 180 Ca 0.08 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 3k2s h ALA 180 Cb 0.72 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3k2s h ALA 180 CO 0.06 0.44 -1.04 1.25 0.00 0.00 0.00 179.25 179.96 3k2s h LEU 181 N 1.13 0.00 -1.46 0.00 5.85 -1.56 -2.88 115.31 116.38 3k2s h LEU 181 Ca 0.35 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 59.01 3k2s h LEU 181 Cb -0.02 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3k2s h LEU 181 CO -0.11 0.94 -0.27 0.50 -0.34 0.00 0.00 178.44 179.16 3k2s h LYS 182 N 0.00 0.00 0.00 1.25 3.64 -0.78 0.33 116.57 121.01 3k2s h LYS 182 Ca -0.04 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 3k2s h LYS 182 Cb 1.75 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.56 3k2s h LYS 182 CO 0.12 0.27 -0.81 1.05 -2.27 0.00 0.00 179.45 177.80 3k2s h GLU 183 N 0.00 0.00 -0.16 1.90 4.11 -1.23 -2.73 114.58 116.47 3k2s h GLU 183 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3k2s h GLU 183 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3k2s h GLU 183 CO 0.04 0.61 0.00 0.09 0.07 0.00 0.00 179.01 179.82 3k2s n ASN 184 N -4.53 1.65 -0.13 3.06 5.03 -1.09 -1.34 115.26 117.90 3k2s n ASN 184 Ca -0.20 -1.69 -0.27 0.00 0.87 0.00 0.00 54.58 53.29 3k2s n ASN 184 Cb 0.48 -0.10 -0.10 0.00 -1.02 0.00 0.00 39.78 39.05 3k2s n ASN 184 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3k2s n GLY 185 N 1.13 -0.42 0.03 7.41 0.00 0.10 -4.28 105.19 109.17 3k2s n GLY 185 Ca 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 3k2s n GLY 185 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2s n GLY 186 N 1.45 -1.31 0.25 -0.02 0.00 -1.03 0.34 105.19 104.86 3k2s n GLY 186 Ca -0.52 0.30 0.13 0.00 0.00 0.00 0.00 46.02 45.93 3k2s n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k2s h ALA 187 N -0.32 1.05 0.05 4.61 0.00 -1.46 -2.09 119.26 121.11 3k2s h ALA 187 Ca 0.01 -0.13 -0.26 0.00 0.00 0.00 0.00 54.91 54.53 3k2s h ALA 187 Cb 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3k2s h ALA 187 CO -0.07 0.18 -1.33 0.00 0.00 0.00 0.00 179.25 178.03 3k2s h ARG 188 N 0.00 0.11 -0.82 0.00 -0.00 -1.57 -2.27 114.38 109.83 3k2s h ARG 188 Ca -0.00 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.98 59.27 3k2s h ARG 188 Cb 0.60 0.07 -0.04 0.00 0.00 0.00 0.00 29.97 30.60 3k2s h ARG 188 CO 0.02 0.96 0.43 1.25 0.00 0.00 0.00 179.97 182.63 3k2s h LEU 189 N 0.03 1.04 -0.61 3.04 6.46 0.01 0.31 115.31 125.59 3k2s h LEU 189 Ca -0.15 -0.10 -0.09 0.00 -0.12 0.00 0.00 57.88 57.42 3k2s h LEU 189 Cb 1.92 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 41.56 3k2s h LEU 189 CO 0.14 0.85 0.01 0.00 -0.62 0.00 0.00 178.44 178.82 3k2s h ALA 190 N 1.31 0.81 0.00 1.25 0.00 -1.37 -1.48 119.26 119.79 3k2s h ALA 190 Ca 0.29 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3k2s h ALA 190 Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3k2s h ALA 190 CO -0.04 0.64 -0.38 0.93 0.00 0.00 0.00 179.25 180.40 3k2s h GLU 191 N 0.96 0.00 -0.72 0.00 4.39 -1.27 -1.96 114.58 115.98 3k2s h GLU 191 Ca 0.17 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.83 3k2s h GLU 191 Cb 0.54 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.16 3k2s h GLU 191 CO 0.03 0.38 0.26 -0.92 -1.16 0.00 0.00 179.01 177.60 3k2s h TYR 192 N 0.00 1.12 -0.50 4.33 5.03 -0.24 0.34 116.97 127.05 3k2s h TYR 192 Ca -0.00 -0.10 0.06 0.00 2.58 0.00 0.00 58.73 61.27 3k2s h TYR 192 Cb 1.18 -0.33 -0.05 0.00 1.55 0.00 0.00 36.73 39.08 3k2s h TYR 192 CO 0.00 0.87 0.20 1.25 -1.32 0.00 0.00 178.16 179.16 3k2s h HIS 193 N 1.04 0.36 -0.29 -3.82 2.76 -1.18 0.12 115.15 114.15 3k2s h HIS 193 Ca 0.24 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.36 3k2s h HIS 193 Cb 0.25 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 3k2s h HIS 193 CO 0.02 0.14 -0.08 0.00 -1.30 0.00 0.00 177.93 176.71 3k2s h ALA 194 N 1.31 0.40 -0.07 5.26 0.00 -0.86 0.11 119.26 125.41 3k2s h ALA 194 Ca 0.23 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3k2s h ALA 194 Cb 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3k2s h ALA 194 CO -0.22 0.22 -0.35 0.87 0.00 0.00 0.00 179.25 179.78 3k2s h LYS 195 N 0.32 0.14 0.64 0.00 6.56 -0.35 0.19 116.57 124.07 3k2s h LYS 195 Ca 0.07 -0.05 -0.03 0.00 -1.06 0.00 0.00 60.65 59.58 3k2s h LYS 195 Cb 0.56 -0.01 0.01 0.00 -0.57 0.00 0.00 32.23 32.22 3k2s h LYS 195 CO 0.03 0.47 -0.31 0.00 -2.06 0.00 0.00 179.45 177.59 3k2s h ALA 196 N 1.53 -0.85 -0.99 3.86 0.00 -0.67 0.25 119.26 122.38 3k2s h ALA 196 Ca 0.01 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 54.88 3k2s h ALA 196 Cb 0.67 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.70 3k2s h ALA 196 CO 0.05 -0.89 0.62 1.15 0.00 0.00 0.00 179.25 180.18 3k2s h THR 197 N -1.04 0.80 0.22 0.00 2.02 -0.62 0.66 112.91 114.95 3k2s h THR 197 Ca -0.09 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 3k2s h THR 197 Cb 0.70 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3k2s h THR 197 CO 0.14 0.15 -0.11 -0.08 0.37 0.00 0.00 175.52 175.99 3k2s h GLU 198 N 0.82 -0.29 -0.31 6.66 4.22 -0.68 -3.16 114.58 121.84 3k2s h GLU 198 Ca 0.53 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.97 3k2s h GLU 198 Cb 0.75 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 3k2s h GLU 198 CO -0.30 -0.19 0.14 0.45 -2.18 0.00 0.00 179.01 176.92 3k2s h HIS 199 N -0.51 0.41 0.00 0.92 3.86 -0.23 -1.36 115.15 118.24 3k2s h HIS 199 Ca -0.03 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 3k2s h HIS 199 Cb 0.23 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.57 3k2s h HIS 199 CO 0.07 0.32 -0.37 -0.07 0.86 0.00 0.00 177.93 178.73 3k2s h LEU 200 N 0.43 0.00 -0.32 2.43 3.38 -1.07 -3.27 115.31 116.89 3k2s h LEU 200 Ca 0.11 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.87 3k2s h LEU 200 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3k2s h LEU 200 CO -0.01 0.01 -0.79 0.77 0.09 0.00 0.00 178.44 178.50 3k2s h SER 201 N 0.00 0.53 -0.39 -0.43 4.64 -1.22 -3.33 113.55 113.35 3k2s h SER 201 Ca 0.00 -0.37 0.11 0.00 -0.47 0.00 0.00 61.79 61.06 3k2s h SER 201 Cb 0.97 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.89 3k2s h SER 201 CO 0.00 1.13 0.30 0.00 -0.87 0.00 0.00 176.83 177.39 3k2s h THR 202 N 0.29 0.70 0.00 2.95 1.03 -1.48 -2.07 112.91 114.32 3k2s h THR 202 Ca -0.05 0.00 -0.06 0.00 -0.01 0.00 0.00 66.41 66.30 3k2s h THR 202 Cb 1.39 0.78 -0.01 0.00 -1.07 0.00 0.00 68.15 69.24 3k2s h THR 202 CO 0.14 0.00 -0.49 -0.07 -0.01 0.00 0.00 175.52 175.08 3k2s h LEU 203 N 0.00 0.00 0.00 0.00 3.38 -1.71 -3.29 115.31 113.69 3k2s h LEU 203 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3k2s h LEU 203 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3k2s h LEU 203 CO -0.00 0.25 -0.55 -1.28 0.09 0.00 0.00 178.44 176.95 3k2s h SER 204 N 0.00 0.00 -0.46 -0.43 0.87 -1.54 -3.14 113.55 108.85 3k2s h SER 204 Ca -0.02 -0.09 0.13 0.00 -1.23 0.00 0.00 61.79 60.58 3k2s h SER 204 Cb 1.21 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.15 3k2s h SER 204 CO 0.03 0.04 0.35 -0.08 -0.53 0.00 0.00 176.83 176.65 3k2s h GLU 205 N 0.00 0.00 -0.63 2.24 4.57 -1.63 -1.28 114.58 117.86 3k2s h GLU 205 Ca 0.00 0.00 -0.46 0.00 -1.18 0.00 0.00 59.36 57.72 3k2s h GLU 205 Cb 0.86 0.00 -0.37 0.00 -0.16 0.00 0.00 28.75 29.08 3k2s h GLU 205 CO 0.00 0.00 -0.80 1.63 -1.18 0.00 0.00 179.01 178.66 3k2s n LYS 206 N -4.28 3.20 0.00 1.92 4.76 -1.21 -4.98 118.16 117.58 3k2s n LYS 206 Ca 0.08 -4.00 0.00 0.00 -2.87 0.00 0.00 58.31 51.53 3k2s n LYS 206 Cb 0.56 -2.13 0.00 0.00 -1.84 0.00 0.00 35.03 31.62 3k2s n LYS 206 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3k2s n ALA 207 N -0.74 0.00 0.00 7.82 0.00 -0.48 -5.07 120.51 122.04 3k2s n ALA 207 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3k2s n ALA 207 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.38 3k2s n ALA 207 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3k2s n LYS 208 N 0.00 0.00 0.00 0.00 4.01 -1.26 -5.09 118.16 115.82 3k2s n LYS 208 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3k2s n LYS 208 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 3k2s n LYS 208 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 3k2s n PRO 209 N -1.99 3.35 0.00 1.97 -0.04 -1.26 -5.13 135.00 131.90 3k2s n PRO 209 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3k2s n PRO 209 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3k2s n PRO 209 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k2s n ALA 210 N -3.00 1.66 0.00 0.55 0.00 -1.26 -4.68 120.51 113.78 3k2s n ALA 210 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3k2s n ALA 210 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3k2s n ALA 210 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3k2s n LEU 211 N -0.06 0.00 0.05 0.00 -0.00 -1.26 -4.79 117.00 110.93 3k2s n LEU 211 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.99 3k2s n LEU 211 Cb 0.07 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.42 3k2s n LEU 211 CO 0.00 0.00 -0.14 -0.33 -0.00 0.00 0.00 177.39 176.92 3k2s h GLU 212 N 0.63 0.00 -0.06 1.47 5.08 -2.02 -3.41 114.58 116.28 3k2s h GLU 212 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3k2s h GLU 212 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3k2s h GLU 212 CO 0.00 0.44 0.08 0.22 -1.00 0.00 0.00 179.01 178.76 3k2s h ASP 213 N 0.00 0.00 0.07 1.42 -0.00 -1.87 -3.09 116.42 112.95 3k2s h ASP 213 Ca -0.14 0.00 -0.31 0.00 -0.00 0.00 0.00 57.03 56.58 3k2s h ASP 213 Cb 1.65 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 40.95 3k2s h ASP 213 CO 0.06 0.00 -1.70 0.00 -0.00 0.00 0.00 179.24 177.61 3k2s n LEU 214 N -3.64 2.29 -0.64 2.28 -0.00 -1.26 -4.60 117.00 111.42 3k2s n LEU 214 Ca -0.01 0.30 0.02 0.00 -0.00 0.00 0.00 56.01 56.31 3k2s n LEU 214 Cb 0.17 -1.05 0.08 0.00 -0.00 0.00 0.00 43.42 42.63 3k2s n LEU 214 CO 0.25 0.60 0.43 0.54 -0.00 0.00 0.00 177.39 179.22 3k2s n ARG 215 N -3.91 1.68 -0.04 1.47 5.12 -1.17 -3.49 116.66 116.32 3k2s n ARG 215 Ca -0.33 -0.63 -0.12 0.00 -1.93 0.00 0.00 57.85 54.84 3k2s n ARG 215 Cb 0.88 -1.50 -0.14 0.00 -1.16 0.00 0.00 32.46 30.54 3k2s n ARG 215 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3k2s n GLN 216 N 0.08 0.67 -0.04 5.56 0.00 -1.26 -4.61 117.38 117.77 3k2s n GLN 216 Ca 0.06 0.22 0.12 0.00 0.00 0.00 0.00 57.00 57.40 3k2s n GLN 216 Cb 0.35 -1.70 0.22 0.00 0.00 0.00 0.00 30.24 29.11 3k2s n GLN 216 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3k2s n GLY 217 N 1.73 0.91 0.00 2.61 0.00 -1.23 -4.44 105.19 104.77 3k2s n GLY 217 Ca -0.25 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3k2s n GLY 217 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k2s n LEU 218 N 1.08 0.00 -0.34 0.99 7.99 -1.26 -4.26 117.00 121.20 3k2s n LEU 218 Ca 0.16 0.91 0.28 0.00 -0.01 0.00 0.00 56.01 57.35 3k2s n LEU 218 Cb 0.54 -0.41 0.54 0.00 -0.11 0.00 0.00 43.42 43.98 3k2s n LEU 218 CO 0.15 -0.41 1.11 0.17 -1.51 0.00 0.00 177.39 176.90 3k2s h LEU 219 N 0.00 0.41 -0.63 2.23 -0.00 -1.91 0.95 115.31 116.36 3k2s h LEU 219 Ca 0.00 0.21 -0.12 0.00 -0.00 0.00 0.00 57.88 57.97 3k2s h LEU 219 Cb 0.00 0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.83 3k2s h LEU 219 CO 0.00 -0.26 -0.21 1.55 -0.00 0.00 0.00 178.44 179.52 3k2s h PRO 220 N 0.17 0.86 0.00 0.17 0.13 -1.89 0.18 132.00 131.62 3k2s h PRO 220 Ca 0.79 -0.35 -0.15 0.00 -0.87 0.00 0.00 66.00 65.42 3k2s h PRO 220 Cb 1.99 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 33.06 3k2s h PRO 220 CO -0.65 0.99 -0.72 0.28 -0.23 0.00 0.00 178.00 177.66 3k2s h VAL 221 N 0.75 1.32 0.00 1.56 2.07 -1.52 -3.10 116.25 117.33 3k2s h VAL 221 Ca 0.10 -2.67 -0.03 0.00 0.82 0.00 0.00 66.70 64.93 3k2s h VAL 221 Cb 0.74 2.52 -0.00 0.00 -1.52 0.00 0.00 31.29 33.03 3k2s h VAL 221 CO 0.06 0.71 -0.69 -0.07 0.02 0.00 0.00 177.57 177.60 3k2s h LEU 222 N 0.00 0.00 0.14 2.57 4.07 -0.72 -3.20 115.31 118.18 3k2s h LEU 222 Ca -0.01 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.62 3k2s h LEU 222 Cb 1.47 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.20 3k2s h LEU 222 CO 0.09 0.11 -1.72 -0.08 -1.08 0.00 0.00 178.44 175.76 3k2s h GLU 223 N 0.00 0.30 -0.24 1.13 4.81 -0.74 -2.73 114.58 117.12 3k2s h GLU 223 Ca -0.02 -0.52 0.05 0.00 -0.13 0.00 0.00 59.36 58.74 3k2s h GLU 223 Cb 1.10 0.19 -0.05 0.00 0.63 0.00 0.00 28.75 30.62 3k2s h GLU 223 CO 0.01 1.25 -0.09 0.66 -0.73 0.00 0.00 179.01 180.11 3k2s h SER 224 N -0.06 -0.30 -0.98 1.04 4.64 -1.72 -2.03 113.55 114.14 3k2s h SER 224 Ca -0.36 0.08 0.21 0.00 -0.47 0.00 0.00 61.79 61.25 3k2s h SER 224 Cb 1.96 0.18 -0.19 0.00 -0.31 0.00 0.00 62.40 64.05 3k2s h SER 224 CO 0.11 -0.11 -0.20 0.15 -0.87 0.00 0.00 176.83 175.90 3k2s h PHE 225 N -0.04 -0.44 -0.01 4.77 -0.00 -1.70 -2.98 116.94 116.53 3k2s h PHE 225 Ca 0.12 0.09 -0.15 0.00 -0.00 0.00 0.00 57.97 58.03 3k2s h PHE 225 Cb 0.23 0.35 -0.02 0.00 -0.00 0.00 0.00 35.95 36.51 3k2s h PHE 225 CO -0.27 -0.42 -0.69 -0.22 -0.00 0.00 0.00 178.31 176.70 3k2s h LYS 226 N 0.00 0.08 0.00 1.11 1.63 -1.04 -3.22 116.57 115.14 3k2s h LYS 226 Ca 0.49 -0.07 -0.10 0.00 -0.85 0.00 0.00 60.65 60.13 3k2s h LYS 226 Cb 0.81 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.43 3k2s h LYS 226 CO -0.99 0.74 -0.97 -0.39 -3.45 0.00 0.00 179.45 174.39 3k2s h VAL 227 N 0.06 0.43 -0.41 2.00 -1.51 -1.44 -3.39 116.25 111.99 3k2s h VAL 227 Ca -0.01 -1.74 0.12 0.00 -1.23 0.00 0.00 66.70 63.84 3k2s h VAL 227 Cb 1.23 2.01 -0.02 0.00 -2.13 0.00 0.00 31.29 32.38 3k2s h VAL 227 CO 0.10 0.25 0.84 0.77 -1.23 0.00 0.00 177.57 178.29 3k2s h SER 228 N 0.00 0.00 0.05 4.19 4.64 -1.53 -1.06 113.55 119.83 3k2s h SER 228 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3k2s h SER 228 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 3k2s h SER 228 CO 0.04 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.49 3k2s n PHE 229 N -3.04 0.00 0.33 4.77 3.72 -1.26 -4.14 117.46 117.84 3k2s n PHE 229 Ca 0.08 0.00 0.20 0.00 -0.05 0.00 0.00 57.45 57.68 3k2s n PHE 229 Cb 0.98 -0.03 1.06 0.00 -0.94 0.00 0.00 39.48 40.55 3k2s n PHE 229 CO 0.00 0.00 0.00 1.37 -0.05 0.00 0.00 176.76 178.08 3k2s h LEU 230 N 0.00 0.00 -0.97 4.37 -0.00 -1.52 -3.35 115.31 113.84 3k2s h LEU 230 Ca 0.00 0.00 0.30 0.00 -0.00 0.00 0.00 57.88 58.18 3k2s h LEU 230 Cb 0.03 0.00 -0.17 0.00 -0.00 0.00 0.00 40.66 40.51 3k2s h LEU 230 CO 0.00 0.00 0.20 0.77 -0.00 0.00 0.00 178.44 179.41 3k2s h SER 231 N 0.00 -0.18 0.00 0.17 4.64 -1.86 -3.45 113.55 112.88 3k2s h SER 231 Ca 0.00 0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3k2s h SER 231 Cb 0.23 0.39 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3k2s h SER 231 CO 0.00 -0.33 0.00 0.00 -0.87 0.00 0.00 176.83 175.63 3k2s n ALA 232 N -2.83 0.00 0.00 5.18 0.00 -1.26 -4.82 120.51 116.78 3k2s n ALA 232 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3k2s n ALA 232 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.32 3k2s n ALA 232 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3k2s n LEU 233 N 0.00 0.00 -4.51 0.00 4.77 -1.26 0.08 117.00 116.08 3k2s n LEU 233 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 3k2s n LEU 233 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3k2s n LEU 233 CO 0.00 0.00 1.33 -1.61 -1.33 0.00 0.00 177.39 175.78 3k2s s GLU 234 N -0.30 3.71 0.00 3.23 8.01 -1.26 -4.99 118.70 127.10 3k2s s GLU 234 Ca 0.00 -1.67 0.00 0.00 0.01 0.00 0.00 54.97 53.31 3k2s s GLU 234 Cb 0.00 -5.17 0.00 0.00 -4.31 0.00 0.00 34.13 24.65 3k2s s GLU 234 CO 0.00 -1.98 0.00 -1.91 0.01 0.00 0.00 175.26 171.38 3k2s n GLU 235 N 7.47 0.00 -1.02 1.61 0.00 0.11 -5.09 120.64 123.72 3k2s n GLU 235 Ca 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.47 3k2s n GLU 235 Cb 0.49 -0.45 -0.00 0.00 0.00 0.00 0.00 31.44 31.47 3k2s n GLU 235 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3k2s n TYR 236 N -1.05 0.00 0.00 4.31 4.01 0.97 -4.75 117.16 120.65 3k2s n TYR 236 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3k2s n TYR 236 Cb 0.00 -0.77 0.00 0.00 -0.31 0.00 0.00 39.34 38.26 3k2s n TYR 236 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 3k2s n THR 237 N -2.68 0.00 0.00 -0.72 5.66 -1.26 -5.07 114.28 110.21 3k2s n THR 237 Ca -0.01 -0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 3k2s n THR 237 Cb 0.18 0.13 0.00 0.00 -1.55 0.00 0.00 70.33 69.08 3k2s n THR 237 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3k2s n LYS 238 N -0.04 0.00 0.00 1.09 5.02 -1.26 -4.56 118.16 118.41 3k2s n LYS 238 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3k2s n LYS 238 Cb 0.00 -0.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.92 3k2s n LYS 238 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3k2s n LYS 239 N 0.00 0.00 -3.03 1.97 4.81 -1.26 -4.72 118.16 115.93 3k2s n LYS 239 Ca 0.00 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 57.00 3k2s n LYS 239 Cb 0.00 -0.12 -0.04 0.00 0.02 0.00 0.00 35.03 34.88 3k2s n LYS 239 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3k2s s LEU 240 N 0.00 5.04 0.00 3.14 1.43 -1.26 -4.94 118.68 122.09 3k2s s LEU 240 Ca 0.00 -1.26 0.00 0.00 -1.03 0.00 0.00 54.13 51.84 3k2s s LEU 240 Cb 0.00 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.87 3k2s s LEU 240 CO 0.00 -1.21 0.73 -3.20 0.23 0.00 0.00 176.35 172.90 3k2s n ASN 241 N 6.77 0.47 -1.68 2.29 5.15 -1.26 -2.55 115.26 124.46 3k2s n ASN 241 Ca -0.08 -1.94 -0.06 0.00 -0.60 0.00 0.00 54.58 51.91 3k2s n ASN 241 Cb 0.43 -0.24 -0.02 0.00 -0.53 0.00 0.00 39.78 39.43 3k2s n ASN 241 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 3k2s n THR 242 N -0.25 2.33 -1.16 -0.44 -1.04 -1.26 -5.15 114.28 107.31 3k2s n THR 242 Ca 0.00 -0.93 0.00 0.00 -2.04 0.00 0.00 64.05 61.08 3k2s n THR 242 Cb 0.12 -1.55 0.00 0.00 -1.82 0.00 0.00 70.33 67.08 3k2s n THR 242 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10