#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k2c s GLN -4 N 0.00 3.46 0.00 -2.82 -0.21 -1.26 -5.07 119.66 113.76 3k2c s GLN -4 Ca 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 55.36 54.81 3k2c s GLN -4 Cb 0.00 -2.87 0.00 0.00 1.00 0.00 0.00 33.01 31.14 3k2c s GLN -4 CO 0.00 0.41 0.00 0.41 -2.12 0.00 0.00 175.29 173.99 3k2c n GLY -3 N -1.06 4.35 3.77 3.09 0.00 -1.26 -5.10 105.19 108.98 3k2c n GLY -3 Ca -0.07 -1.43 -0.36 0.00 0.00 0.00 0.00 46.02 44.16 3k2c n GLY -3 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k2c s PRO -2 N -3.61 3.57 0.18 1.61 0.04 -1.26 -5.06 135.00 130.47 3k2c s PRO -2 Ca 0.00 1.74 0.01 0.00 0.04 0.00 0.00 61.00 62.78 3k2c s PRO -2 Cb 0.00 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 3k2c s PRO -2 CO 0.00 -0.70 0.34 0.20 0.04 0.00 0.00 177.00 176.88 3k2c s GLY -1 N -1.50 1.73 0.99 0.56 0.00 -1.26 -5.11 107.32 102.72 3k2c s GLY -1 Ca 0.68 -0.93 -0.13 0.00 0.00 0.00 0.00 44.72 44.34 3k2c s GLY -1 CO 0.32 -0.91 1.11 -1.35 0.00 0.00 0.00 173.10 172.27 3k2c s SER 0 N -3.24 2.75 0.06 1.64 1.04 -1.26 -4.98 113.70 109.72 3k2c s SER 0 Ca 0.37 1.09 -0.31 0.00 0.48 0.00 0.00 55.95 57.58 3k2c s SER 0 Cb -0.11 -1.72 -0.06 0.00 0.10 0.00 0.00 66.02 64.24 3k2c s SER 0 CO 0.29 -3.04 1.25 0.00 0.98 0.00 0.00 173.24 172.72 3k2c s MET 1 N -5.07 4.40 0.00 4.02 0.23 -1.26 -5.19 119.30 116.44 3k2c s MET 1 Ca 0.65 1.83 0.00 0.00 -1.03 0.00 0.00 55.69 57.15 3k2c s MET 1 Cb -0.17 -3.35 0.00 0.00 -1.53 0.00 0.00 34.83 29.78 3k2c s MET 1 CO 0.56 -0.32 0.00 0.00 -2.03 0.00 0.00 175.02 173.24 3k2c n ALA 2 N 4.06 0.00 -0.09 3.16 0.00 -1.26 -4.99 120.51 121.38 3k2c n ALA 2 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3k2c n ALA 2 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 3k2c n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k2c n ALA 5 N -3.00 0.00 -1.76 0.00 0.00 -1.26 -5.06 120.51 109.44 3k2c n ALA 5 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 3k2c n ALA 5 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 3k2c n ALA 5 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3k2c s SER 6 N -3.39 5.57 0.00 0.00 1.04 -1.26 -1.51 113.70 114.14 3k2c s SER 6 Ca 0.00 2.65 0.00 0.00 0.48 0.00 0.00 55.95 59.08 3k2c s SER 6 Cb 0.00 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.49 3k2c s SER 6 CO 0.00 -1.36 0.00 0.61 0.98 0.00 0.00 173.24 173.47 3k2c n GLY 7 N 0.64 2.75 3.74 7.32 0.00 -1.25 -5.03 105.19 113.35 3k2c n GLY 7 Ca 0.09 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 3k2c n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3k2c n ASN 8 N 0.50 2.53 -4.53 1.61 4.13 -0.57 -4.80 115.26 114.14 3k2c n ASN 8 Ca 0.00 0.95 -0.24 0.00 1.68 0.00 0.00 54.58 56.97 3k2c n ASN 8 Cb 0.00 -1.57 -0.09 0.00 -1.54 0.00 0.00 39.78 36.58 3k2c n ASN 8 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 3k2c s VAL 9 N -1.31 2.78 0.06 2.41 -7.23 -0.36 -1.18 120.40 115.57 3k2c s VAL 9 Ca 0.73 -2.25 0.03 0.00 -1.81 0.00 0.00 61.98 58.68 3k2c s VAL 9 Cb -0.41 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.03 3k2c s VAL 9 CO 0.48 -0.39 -0.08 -0.72 -0.31 0.00 0.00 175.10 174.07 3k2c s TYR 10 N -2.45 0.80 -0.12 2.82 -0.85 -0.38 -0.23 117.35 116.93 3k2c s TYR 10 Ca 0.30 -0.57 0.03 0.00 -0.52 0.00 0.00 57.07 56.31 3k2c s TYR 10 Cb -0.05 -0.46 0.01 0.00 0.38 0.00 0.00 41.96 41.83 3k2c s TYR 10 CO 0.17 -0.07 -0.21 -0.06 -1.52 0.00 0.00 175.55 173.86 3k2c s PHE 11 N -1.82 2.45 -0.39 -3.49 0.08 -0.04 -2.42 117.98 112.36 3k2c s PHE 11 Ca -0.04 -1.16 -0.20 0.00 0.12 0.00 0.00 56.93 55.65 3k2c s PHE 11 Cb -0.07 -1.68 0.01 0.00 -0.57 0.00 0.00 43.02 40.71 3k2c s PHE 11 CO -0.00 -0.53 0.61 -0.51 -0.10 0.00 0.00 175.22 174.70 3k2c s ASP 12 N 0.73 6.36 -0.14 1.36 1.01 -0.25 -1.26 116.67 124.48 3k2c s ASP 12 Ca -0.10 -0.09 -0.06 0.00 0.71 0.00 0.00 52.55 53.00 3k2c s ASP 12 Cb -0.16 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 3k2c s ASP 12 CO 0.01 -0.65 0.07 -0.69 0.21 0.00 0.00 175.17 174.12 3k2c s VAL 13 N 2.69 4.92 -0.01 -1.27 1.01 -0.67 -1.39 120.40 125.68 3k2c s VAL 13 Ca 0.22 -0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.25 3k2c s VAL 13 Cb -0.15 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 3k2c s VAL 13 CO 0.16 0.54 -0.16 -0.31 0.00 0.00 0.00 175.10 175.33 3k2c s TYR 14 N -0.29 1.43 -0.40 5.22 1.51 -0.44 0.30 117.35 124.67 3k2c s TYR 14 Ca 0.09 -0.27 -0.11 0.00 -1.01 0.00 0.00 57.07 55.77 3k2c s TYR 14 Cb -0.12 -0.91 0.05 0.00 -0.11 0.00 0.00 41.96 40.87 3k2c s TYR 14 CO 0.01 -0.02 0.25 0.00 -1.11 0.00 0.00 175.55 174.68 3k2c s ALA 15 N -0.40 3.31 0.00 3.71 0.00 0.10 -0.63 121.76 127.86 3k2c s ALA 15 Ca 0.06 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.09 3k2c s ALA 15 Cb -0.06 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.38 3k2c s ALA 15 CO -0.01 -1.53 0.00 0.09 0.00 0.00 0.00 175.76 174.31 3k2c n ASN 16 N 4.99 0.00 -1.10 0.00 5.03 -0.49 -1.04 115.26 122.65 3k2c n ASN 16 Ca -0.11 0.00 0.11 0.00 0.87 0.00 0.00 54.58 55.45 3k2c n ASN 16 Cb 0.44 0.00 0.27 0.00 -1.02 0.00 0.00 39.78 39.47 3k2c n ASN 16 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3k2c n GLU 17 N 13.43 2.41 -3.47 3.52 -0.58 -1.26 -4.91 120.64 129.79 3k2c n GLU 17 Ca 0.00 -2.16 -0.38 0.00 -0.42 0.00 0.00 57.16 54.20 3k2c n GLU 17 Cb 0.00 -1.49 -0.08 0.00 -0.57 0.00 0.00 31.44 29.30 3k2c n GLU 17 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3k2c s GLU 18 N -1.35 4.16 0.07 3.49 2.56 -0.21 -5.03 118.70 122.39 3k2c s GLU 18 Ca 0.40 0.08 -0.31 0.00 0.00 0.00 0.00 54.97 55.15 3k2c s GLU 18 Cb 0.22 -3.53 -0.08 0.00 2.00 0.00 0.00 34.13 32.75 3k2c s GLU 18 CO 0.30 0.01 1.57 0.45 -0.56 0.00 0.00 175.26 177.03 3k2c s SER 19 N 0.99 6.67 0.04 -1.70 0.15 -1.26 0.00 113.70 118.59 3k2c s SER 19 Ca 0.16 2.40 0.16 0.00 0.70 0.00 0.00 55.95 59.37 3k2c s SER 19 Cb -0.14 -2.57 -0.16 0.00 -1.71 0.00 0.00 66.02 61.44 3k2c s SER 19 CO 0.07 -0.82 0.78 0.18 1.20 0.00 0.00 173.24 174.65 3k2c n LEU 20 N 5.24 0.85 0.00 3.45 4.77 0.15 -4.90 117.00 126.56 3k2c n LEU 20 Ca 0.15 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 3k2c n LEU 20 Cb 0.41 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3k2c n LEU 20 CO 0.61 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 3k2c n GLY 21 N 1.43 0.52 3.61 -0.72 0.00 -1.16 -4.80 105.19 104.07 3k2c n GLY 21 Ca -0.11 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.41 3k2c n GLY 21 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3k2c s ARG 22 N -0.75 3.25 -0.15 1.61 3.52 -1.26 -1.67 118.95 123.49 3k2c s ARG 22 Ca 0.00 -0.45 -0.04 0.00 -0.13 0.00 0.00 55.73 55.11 3k2c s ARG 22 Cb 0.00 -2.84 -0.03 0.00 -1.56 0.00 0.00 34.95 30.52 3k2c s ARG 22 CO 0.00 0.52 -0.04 0.42 -0.81 0.00 0.00 175.30 175.40 3k2c s ILE 23 N -0.39 3.91 -0.07 4.11 1.01 -0.39 -4.09 121.20 125.28 3k2c s ILE 23 Ca 0.07 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.41 3k2c s ILE 23 Cb -0.12 -2.71 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 3k2c s ILE 23 CO 0.02 0.50 -0.21 -0.69 0.00 0.00 0.00 174.94 174.56 3k2c s VAL 24 N 0.34 2.42 -0.04 2.92 1.01 -0.56 -0.86 120.40 125.63 3k2c s VAL 24 Ca -0.04 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.06 3k2c s VAL 24 Cb -0.14 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 3k2c s VAL 24 CO 0.03 0.56 -0.17 -0.04 0.00 0.00 0.00 175.10 175.48 3k2c s MET 25 N -0.11 1.69 -0.14 2.72 -1.94 0.68 -1.04 119.30 121.16 3k2c s MET 25 Ca -0.04 -0.61 -0.15 0.00 -1.71 0.00 0.00 55.69 53.19 3k2c s MET 25 Cb -0.14 -1.50 -0.05 0.00 2.01 0.00 0.00 34.83 35.15 3k2c s MET 25 CO 0.04 0.27 0.34 0.21 -0.01 0.00 0.00 175.02 175.87 3k2c s LYS 26 N -0.05 4.22 0.01 2.03 2.20 -0.33 -1.23 119.74 126.60 3k2c s LYS 26 Ca -0.02 0.19 -0.00 0.00 -0.36 0.00 0.00 55.97 55.78 3k2c s LYS 26 Cb -0.10 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 3k2c s LYS 26 CO 0.02 0.27 0.10 -0.51 -0.36 0.00 0.00 175.35 174.87 3k2c s LEU 27 N 0.33 3.96 -1.16 5.43 1.43 -1.26 -1.17 118.68 126.24 3k2c s LEU 27 Ca 0.19 0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 53.40 3k2c s LEU 27 Cb -0.14 -2.38 0.24 0.00 0.03 0.00 0.00 46.19 43.94 3k2c s LEU 27 CO 0.06 0.25 1.89 -0.62 0.23 0.00 0.00 176.35 178.15 3k2c n GLU 28 N 0.99 4.66 -0.26 1.70 -0.58 0.11 -4.80 120.64 122.46 3k2c n GLU 28 Ca -0.12 -4.13 0.14 0.00 -0.42 0.00 0.00 57.16 52.63 3k2c n GLU 28 Cb 0.52 -2.60 0.42 0.00 -0.57 0.00 0.00 31.44 29.21 3k2c n GLU 28 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 3k2c h ASP 29 N 4.91 0.57 0.43 1.62 3.32 -1.85 0.53 116.42 125.95 3k2c h ASP 29 Ca 0.46 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.47 3k2c h ASP 29 Cb 0.45 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3k2c h ASP 29 CO 1.38 0.27 -0.41 0.44 -1.72 0.00 0.00 179.24 179.20 3k2c h ASP 30 N 0.60 0.00 0.07 6.45 3.32 -1.97 -2.96 116.42 121.93 3k2c h ASP 30 Ca 0.46 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 57.14 3k2c h ASP 30 Cb 0.87 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.38 3k2c h ASP 30 CO -0.20 0.41 -2.15 -0.38 -1.72 0.00 0.00 179.24 175.20 3k2c n ILE 31 N -4.02 1.65 -3.37 0.35 5.41 -0.44 -4.70 119.36 114.24 3k2c n ILE 31 Ca -0.02 -0.57 -0.26 0.00 1.00 0.00 0.00 62.75 62.90 3k2c n ILE 31 Cb 0.44 -1.65 -0.09 0.00 -0.71 0.00 0.00 39.64 37.64 3k2c n ILE 31 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 3k2c n VAL 32 N -3.50 -0.28 -0.23 1.39 0.24 0.05 -4.91 118.33 111.09 3k2c n VAL 32 Ca -0.38 -4.03 -0.08 0.00 -2.04 0.00 0.00 64.34 57.81 3k2c n VAL 32 Cb 1.00 -1.89 0.04 0.00 -1.47 0.00 0.00 33.84 31.52 3k2c n VAL 32 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 3k2c h PRO 33 N 4.78 1.06 0.00 7.34 0.13 -1.71 -0.82 132.00 142.78 3k2c h PRO 33 Ca 0.17 -0.27 -0.20 0.00 -0.87 0.00 0.00 66.00 64.83 3k2c h PRO 33 Cb 0.85 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 3k2c h PRO 33 CO 0.50 0.96 -0.88 0.87 -0.23 0.00 0.00 178.00 179.22 3k2c h LYS 34 N 0.98 0.20 -0.15 0.86 1.79 -1.95 -1.55 116.57 116.76 3k2c h LYS 34 Ca 0.20 -0.22 -0.05 0.00 -2.18 0.00 0.00 60.65 58.40 3k2c h LYS 34 Cb 0.39 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.10 3k2c h LYS 34 CO 0.01 0.96 -0.11 1.15 -1.08 0.00 0.00 179.45 180.38 3k2c h THR 35 N 0.11 1.33 -0.58 -0.16 2.02 -1.93 -1.86 112.91 111.85 3k2c h THR 35 Ca -0.05 -1.21 0.04 0.00 0.77 0.00 0.00 66.41 65.96 3k2c h THR 35 Cb 1.51 1.80 -0.04 0.00 -1.74 0.00 0.00 68.15 69.67 3k2c h THR 35 CO 0.13 0.36 0.32 0.00 0.37 0.00 0.00 175.52 176.70 3k2c h ALA 36 N 0.64 0.75 -0.65 6.16 0.00 -1.19 -2.19 119.26 122.78 3k2c h ALA 36 Ca 0.03 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3k2c h ALA 36 Cb 0.61 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3k2c h ALA 36 CO 0.03 0.01 0.43 -0.22 0.00 0.00 0.00 179.25 179.50 3k2c h LYS 37 N 0.63 0.86 0.44 0.00 3.64 -1.23 -0.00 116.57 120.90 3k2c h LYS 37 Ca 0.25 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3k2c h LYS 37 Cb 0.10 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3k2c h LYS 37 CO -0.14 0.57 -0.27 -0.97 -2.27 0.00 0.00 179.45 176.37 3k2c h ASN 38 N 0.88 -0.68 -0.10 4.20 -1.24 -1.19 -0.54 115.58 116.91 3k2c h ASN 38 Ca 0.24 0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.29 3k2c h ASN 38 Cb -0.10 0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.15 3k2c h ASN 38 CO -0.05 -0.43 0.06 0.15 -1.29 0.00 0.00 177.43 175.87 3k2c h PHE 39 N -0.68 0.13 -0.39 0.67 3.57 -1.15 -1.33 116.94 117.77 3k2c h PHE 39 Ca -0.05 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.49 3k2c h PHE 39 Cb 0.56 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 3k2c h PHE 39 CO -0.09 0.13 0.17 -0.09 -2.23 0.00 0.00 178.31 176.20 3k2c h ARG 40 N 0.08 0.35 -0.61 1.11 2.43 -1.00 -1.09 114.38 115.65 3k2c h ARG 40 Ca 0.03 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3k2c h ARG 40 Cb 0.04 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 3k2c h ARG 40 CO -0.01 0.23 0.40 1.15 -1.51 0.00 0.00 179.97 180.24 3k2c h THR 41 N 0.36 1.16 0.00 0.20 2.02 -0.95 -1.26 112.91 114.44 3k2c h THR 41 Ca 0.17 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 3k2c h THR 41 Cb 0.10 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 66.77 3k2c h THR 41 CO -0.14 0.15 -0.12 -0.07 0.37 0.00 0.00 175.52 175.71 3k2c h LEU 42 N 0.82 0.00 -0.64 2.58 3.38 -0.84 -1.42 115.31 119.20 3k2c h LEU 42 Ca 0.22 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.05 3k2c h LEU 42 Cb -0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3k2c h LEU 42 CO -0.05 0.12 -0.55 0.00 0.09 0.00 0.00 178.44 178.05 3k2c h GLU 44 N 0.28 0.00 -7.34 0.00 5.08 -0.64 -3.24 114.58 108.73 3k2c h GLU 44 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.86 3k2c h GLU 44 Cb 1.06 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.43 3k2c h GLU 44 CO 0.09 0.17 0.33 1.03 -1.00 0.00 0.00 179.01 179.64 3k2c s ARG 45 N -3.14 2.38 0.90 2.33 0.52 -0.63 -5.02 118.95 116.29 3k2c s ARG 45 Ca 0.01 0.98 -0.12 0.00 -0.52 0.00 0.00 55.73 56.08 3k2c s ARG 45 Cb 0.08 -1.93 0.13 0.00 0.52 0.00 0.00 34.95 33.76 3k2c s ARG 45 CO 0.77 -1.50 1.12 -1.25 0.02 0.00 0.00 175.30 174.46 3k2c s PRO 46 N -4.99 1.25 0.33 3.54 0.04 -1.26 -4.63 135.00 129.27 3k2c s PRO 46 Ca 0.60 0.42 -0.27 0.00 0.04 0.00 0.00 61.00 61.79 3k2c s PRO 46 Cb -0.16 -1.84 -0.13 0.00 0.04 0.00 0.00 34.50 32.41 3k2c s PRO 46 CO 0.55 -2.15 0.96 0.36 0.04 0.00 0.00 177.00 176.76 3k2c n LYS 47 N -3.75 1.25 0.00 4.56 0.00 -1.26 -1.26 118.16 117.70 3k2c n LYS 47 Ca 0.06 0.44 0.00 0.00 -0.00 0.00 0.00 58.31 58.82 3k2c n LYS 47 Cb 0.58 -1.83 0.00 0.00 -0.00 0.00 0.00 35.03 33.78 3k2c n LYS 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3k2c n GLY 48 N 1.28 2.95 0.00 2.58 0.00 -1.26 -4.74 105.19 106.00 3k2c n GLY 48 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3k2c n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k2c n GLU 49 N -2.00 1.56 0.00 1.61 -0.58 -0.39 -4.96 120.64 115.89 3k2c n GLU 49 Ca 0.00 -1.13 0.00 0.00 -0.42 0.00 0.00 57.16 55.61 3k2c n GLU 49 Cb 0.00 -0.99 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 3k2c n GLU 49 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3k2c n GLY 50 N -0.32 1.93 0.21 0.62 0.00 -1.11 -4.76 105.19 101.76 3k2c n GLY 50 Ca 0.00 -0.59 0.13 0.00 0.00 0.00 0.00 46.02 45.57 3k2c n GLY 50 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3k2c h TYR 51 N 0.00 0.00 -2.41 1.61 0.05 -1.54 -3.44 116.97 111.24 3k2c h TYR 51 Ca 0.00 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.25 3k2c h TYR 51 Cb 0.00 0.00 0.03 0.00 1.01 0.00 0.00 36.73 37.77 3k2c h TYR 51 CO 0.00 0.00 1.20 0.21 -1.05 0.00 0.00 178.16 178.52 3k2c s LYS 52 N -3.31 4.14 0.00 4.88 2.20 -1.26 -1.05 119.74 125.33 3k2c s LYS 52 Ca 0.06 2.62 0.00 0.00 -0.36 0.00 0.00 55.97 58.29 3k2c s LYS 52 Cb 0.07 -3.99 0.00 0.00 -1.51 0.00 0.00 37.83 32.40 3k2c s LYS 52 CO 0.61 -0.93 0.00 0.41 -0.36 0.00 0.00 175.35 175.08 3k2c n GLY 53 N 4.46 0.71 3.99 5.54 0.00 0.84 -4.12 105.19 116.61 3k2c n GLY 53 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 3k2c n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k2c s SER 54 N -2.39 4.14 0.27 1.61 1.04 -0.22 -4.80 113.70 113.35 3k2c s SER 54 Ca 0.00 -0.35 0.07 0.00 0.48 0.00 0.00 55.95 56.15 3k2c s SER 54 Cb 0.00 0.06 -0.06 0.00 0.10 0.00 0.00 66.02 66.12 3k2c s SER 54 CO 0.00 -2.01 -0.08 0.42 0.98 0.00 0.00 173.24 172.55 3k2c s THR 55 N -3.24 1.69 -0.57 2.02 -4.23 -1.26 -0.09 115.64 109.96 3k2c s THR 55 Ca 0.68 -2.15 -0.22 0.00 -1.18 0.00 0.00 61.69 58.82 3k2c s THR 55 Cb -0.05 -2.37 0.06 0.00 1.34 0.00 0.00 72.50 71.48 3k2c s THR 55 CO 0.46 -0.36 0.82 -0.36 -0.54 0.00 0.00 174.62 174.64 3k2c s PHE 56 N -2.98 2.87 -1.13 3.99 0.08 -0.32 -3.81 117.98 116.67 3k2c s PHE 56 Ca 0.28 -0.41 0.23 0.00 0.12 0.00 0.00 56.93 57.16 3k2c s PHE 56 Cb 0.03 -3.95 0.22 0.00 -0.57 0.00 0.00 43.02 38.74 3k2c s PHE 56 CO 0.11 -1.32 1.21 -2.39 -0.10 0.00 0.00 175.22 172.74 3k2c n HIS 57 N 6.99 0.00 -3.56 0.36 1.44 -0.85 -4.62 115.22 114.98 3k2c n HIS 57 Ca -0.03 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.45 3k2c n HIS 57 Cb 0.46 -0.13 -0.15 0.00 0.12 0.00 0.00 29.99 30.29 3k2c n HIS 57 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 3k2c s ARG 58 N -2.92 0.12 -0.18 -1.40 3.52 -1.19 -4.63 118.95 112.26 3k2c s ARG 58 Ca 0.12 0.03 -0.00 0.00 -0.13 0.00 0.00 55.73 55.74 3k2c s ARG 58 Cb 0.17 -1.56 0.05 0.00 -1.56 0.00 0.00 34.95 32.05 3k2c s ARG 58 CO 0.74 -0.67 -0.04 0.42 -0.81 0.00 0.00 175.30 174.93 3k2c s ILE 59 N 2.22 1.16 -0.32 4.11 1.01 -0.59 -1.37 121.20 127.41 3k2c s ILE 59 Ca 0.04 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 59.96 3k2c s ILE 59 Cb -0.16 -1.38 0.09 0.00 0.01 0.00 0.00 42.46 41.02 3k2c s ILE 59 CO -0.11 0.04 0.03 -0.63 0.00 0.00 0.00 174.94 174.28 3k2c s ILE 60 N 1.60 2.05 0.21 2.92 1.01 -0.72 -2.27 121.20 126.00 3k2c s ILE 60 Ca -0.01 -2.10 -0.32 0.00 0.00 0.00 0.00 60.65 58.23 3k2c s ILE 60 Cb -0.16 -2.47 -0.14 0.00 0.01 0.00 0.00 42.46 39.69 3k2c s ILE 60 CO -0.07 -0.52 1.33 -2.65 0.00 0.00 0.00 174.94 173.02 3k2c n PRO 61 N 4.37 1.72 -0.38 2.79 -0.02 -1.26 -1.58 135.00 140.64 3k2c n PRO 61 Ca 0.00 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3k2c n PRO 61 Cb 0.42 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3k2c n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k2c n GLY 62 N 2.15 1.55 0.54 -1.23 0.00 -1.26 -4.81 105.19 102.13 3k2c n GLY 62 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3k2c n GLY 62 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3k2c n PHE 63 N -2.00 0.00 -3.68 1.61 7.35 -0.61 -4.69 117.46 115.44 3k2c n PHE 63 Ca 0.00 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.64 3k2c n PHE 63 Cb 0.00 0.08 -0.02 0.00 0.35 0.00 0.00 39.48 39.89 3k2c n PHE 63 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3k2c s MET 64 N -0.38 1.11 -0.03 -4.13 0.23 -0.87 -0.65 119.30 114.57 3k2c s MET 64 Ca 0.00 -0.56 0.07 0.00 -1.03 0.00 0.00 55.69 54.17 3k2c s MET 64 Cb 0.00 0.41 -0.02 0.00 -1.53 0.00 0.00 34.83 33.69 3k2c s MET 64 CO 0.00 -0.50 -0.25 0.14 -2.03 0.00 0.00 175.02 172.38 3k2c s VAL 65 N -3.27 1.97 -0.02 5.16 -7.23 -0.47 -1.76 120.40 114.78 3k2c s VAL 65 Ca 0.10 -1.06 0.03 0.00 -1.81 0.00 0.00 61.98 59.24 3k2c s VAL 65 Cb -0.01 -1.65 -0.01 0.00 0.56 0.00 0.00 36.38 35.28 3k2c s VAL 65 CO -0.01 0.56 -0.12 -1.58 -0.31 0.00 0.00 175.10 173.64 3k2c s GLN 66 N -0.49 1.04 0.00 4.82 0.74 -0.47 -0.47 119.66 124.84 3k2c s GLN 66 Ca 0.07 -0.41 0.00 0.00 0.05 0.00 0.00 55.36 55.06 3k2c s GLN 66 Cb -0.10 -0.98 0.00 0.00 1.10 0.00 0.00 33.01 33.02 3k2c s GLN 66 CO 0.00 0.22 0.00 0.41 -0.55 0.00 0.00 175.29 175.37 3k2c n GLY 67 N 2.95 4.14 0.42 2.59 0.00 -0.72 -2.01 105.19 112.57 3k2c n GLY 67 Ca -0.15 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3k2c n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2c n GLY 68 N 0.00 0.56 3.48 -0.02 0.00 -1.25 -1.44 105.19 106.52 3k2c n GLY 68 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3k2c n GLY 68 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3k2c n ASP 69 N 0.00 5.19 -0.42 1.61 -0.08 -1.26 -3.86 116.55 117.72 3k2c n ASP 69 Ca 0.00 -2.97 0.13 0.00 -1.51 0.00 0.00 54.79 50.44 3k2c n ASP 69 Cb 0.00 -1.59 0.53 0.00 2.34 0.00 0.00 41.12 42.40 3k2c n ASP 69 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3k2c n TYR 70 N 5.96 0.06 -0.10 -0.67 0.18 -1.26 -1.79 117.16 119.53 3k2c n TYR 70 Ca 0.38 -0.03 -0.13 0.00 1.88 0.00 0.00 57.90 60.01 3k2c n TYR 70 Cb 0.43 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.28 3k2c n TYR 70 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 3k2c n THR 71 N 0.04 1.20 0.02 -3.48 -2.24 -1.26 -4.80 114.28 103.76 3k2c n THR 71 Ca 0.19 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3k2c n THR 71 Cb 0.31 -1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 67.50 3k2c n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k2c n ALA 72 N -2.96 2.07 -1.84 6.98 0.00 -1.25 -4.95 120.51 118.56 3k2c n ALA 72 Ca -0.34 -0.03 -0.19 0.00 0.00 0.00 0.00 53.44 52.88 3k2c n ALA 72 Cb 0.95 -0.03 -0.06 0.00 0.00 0.00 0.00 19.45 20.31 3k2c n ALA 72 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3k2c n HIS 73 N -1.32 -0.31 -1.12 0.00 -0.00 -0.74 -4.78 115.22 106.95 3k2c n HIS 73 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3k2c n HIS 73 Cb 0.02 -3.41 0.00 0.00 -0.00 0.00 0.00 29.99 26.60 3k2c n HIS 73 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 3k2c n ASN 74 N -1.29 0.00 0.00 0.41 0.23 -1.26 -4.84 115.26 108.51 3k2c n ASN 74 Ca -0.20 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.85 3k2c n ASN 74 Cb 0.64 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.34 3k2c n ASN 74 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3k2c n GLY 75 N 0.00 0.06 0.18 4.83 0.00 -1.26 -4.93 105.19 104.07 3k2c n GLY 75 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3k2c n GLY 75 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k2c n THR 76 N -1.98 0.00 -1.76 2.61 -2.24 -1.26 -5.00 114.28 104.65 3k2c n THR 76 Ca 0.00 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3k2c n THR 76 Cb 0.00 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 3k2c n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k2c n GLY 77 N 1.45 5.07 0.00 3.38 0.00 -1.26 -5.01 105.19 108.81 3k2c n GLY 77 Ca 0.07 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.31 3k2c n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2c n GLY 78 N 4.94 -0.38 3.22 -0.02 0.00 -1.26 -4.80 105.19 106.89 3k2c n GLY 78 Ca 0.00 -1.62 -0.11 0.00 0.00 0.00 0.00 46.02 44.29 3k2c n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k2c s ARG 79 N -3.26 0.34 0.95 1.61 3.00 -1.26 -4.70 118.95 115.63 3k2c s ARG 79 Ca 0.00 0.76 -0.12 0.00 0.00 0.00 0.00 55.73 56.38 3k2c s ARG 79 Cb 0.00 -0.01 0.16 0.00 0.00 0.00 0.00 34.95 35.10 3k2c s ARG 79 CO 0.00 -0.17 1.09 -1.54 0.00 0.00 0.00 175.30 174.67 3k2c s SER 80 N 1.54 2.97 0.27 0.23 1.04 -1.23 -4.42 113.70 114.10 3k2c s SER 80 Ca -0.08 1.55 0.24 0.00 0.48 0.00 0.00 55.95 58.14 3k2c s SER 80 Cb -0.09 -2.21 0.98 0.00 0.10 0.00 0.00 66.02 64.79 3k2c s SER 80 CO -0.12 -2.96 1.73 2.30 0.98 0.00 0.00 173.24 175.17 3k2c n ILE 81 N -4.10 0.79 1.12 -1.02 -5.35 -1.26 -2.17 119.36 107.37 3k2c n ILE 81 Ca 0.07 0.17 0.14 0.00 -0.27 0.00 0.00 62.75 62.86 3k2c n ILE 81 Cb 0.55 -1.10 0.62 0.00 -1.74 0.00 0.00 39.64 37.96 3k2c n ILE 81 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3k2c n TYR 82 N -2.28 0.00 0.00 4.28 4.01 -1.26 -4.93 117.16 116.97 3k2c n TYR 82 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 3k2c n TYR 82 Cb 0.26 -0.41 0.00 0.00 -0.31 0.00 0.00 39.34 38.87 3k2c n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k2c n GLY 83 N 1.44 3.21 1.55 2.72 0.00 -0.92 -4.99 105.19 108.21 3k2c n GLY 83 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 3k2c n GLY 83 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3k2c n GLU 84 N -1.28 0.42 -1.58 1.61 0.28 -1.26 -4.85 120.64 113.98 3k2c n GLU 84 Ca 0.00 -0.85 -0.47 0.00 -0.16 0.00 0.00 57.16 55.68 3k2c n GLU 84 Cb 0.00 1.07 -0.03 0.00 1.43 0.00 0.00 31.44 33.91 3k2c n GLU 84 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3k2c n LYS 85 N -0.24 1.26 -4.41 3.44 5.02 -1.26 -4.68 118.16 117.30 3k2c n LYS 85 Ca -0.03 0.45 -0.24 0.00 -2.02 0.00 0.00 58.31 56.46 3k2c n LYS 85 Cb 0.24 -1.90 -0.11 0.00 -0.02 0.00 0.00 35.03 33.24 3k2c n LYS 85 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 3k2c s PHE 86 N -0.48 2.13 0.80 2.13 -0.12 -0.47 -4.89 117.98 117.10 3k2c s PHE 86 Ca 0.68 -0.39 -0.12 0.00 -0.05 0.00 0.00 56.93 57.05 3k2c s PHE 86 Cb -0.79 -1.02 0.08 0.00 -0.63 0.00 0.00 43.02 40.67 3k2c s PHE 86 CO 0.55 0.51 1.14 -2.14 -0.05 0.00 0.00 175.22 175.23 3k2c s PRO 87 N -3.01 1.81 -0.20 1.99 0.02 -1.26 -2.43 135.00 131.92 3k2c s PRO 87 Ca 0.22 1.48 -0.29 0.00 0.02 0.00 0.00 61.00 62.43 3k2c s PRO 87 Cb -0.06 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.60 3k2c s PRO 87 CO 0.10 -2.02 1.78 -0.51 -0.33 0.00 0.00 177.00 176.01 3k2c s ASP 88 N -2.72 6.18 0.07 2.53 1.01 -1.26 -4.85 116.67 117.63 3k2c s ASP 88 Ca 0.67 1.75 -0.19 0.00 0.71 0.00 0.00 52.55 55.49 3k2c s ASP 88 Cb -0.22 -2.53 -0.11 0.00 1.01 0.00 0.00 42.92 41.07 3k2c s ASP 88 CO 0.53 -1.40 1.45 -0.08 0.21 0.00 0.00 175.17 175.87 3k2c h GLU 89 N 11.67 0.43 -2.01 8.23 4.81 -2.00 -3.47 114.58 132.23 3k2c h GLU 89 Ca -0.37 -0.17 0.25 0.00 -0.13 0.00 0.00 59.36 58.94 3k2c h GLU 89 Cb 1.18 -0.02 -0.09 0.00 0.63 0.00 0.00 28.75 30.45 3k2c h GLU 89 CO 0.99 0.69 0.67 0.54 -0.73 0.00 0.00 179.01 181.17 3k2c s ASN 90 N -6.05 -0.09 -0.34 1.04 2.20 -1.26 -5.06 114.94 105.38 3k2c s ASN 90 Ca -0.14 -0.33 0.07 0.00 -0.94 0.00 0.00 52.86 51.53 3k2c s ASN 90 Cb 0.07 0.34 0.45 0.00 -2.00 0.00 0.00 41.25 40.10 3k2c s ASN 90 CO 0.75 -0.63 1.15 0.49 -2.94 0.00 0.00 177.10 175.92 3k2c n PHE 91 N -0.55 2.87 -0.08 1.54 3.72 -1.26 -4.70 117.46 118.99 3k2c n PHE 91 Ca -0.06 -2.54 -0.10 0.00 -0.05 0.00 0.00 57.45 54.70 3k2c n PHE 91 Cb 0.61 -0.25 0.04 0.00 -0.94 0.00 0.00 39.48 38.95 3k2c n PHE 91 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3k2c h GLU 92 N 2.36 0.80 -6.30 -1.08 4.81 -1.96 -3.44 114.58 109.76 3k2c h GLU 92 Ca 0.31 -0.38 -0.56 0.00 -0.13 0.00 0.00 59.36 58.60 3k2c h GLU 92 Cb 1.31 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.65 3k2c h GLU 92 CO 0.76 1.01 -0.20 -0.51 -0.73 0.00 0.00 179.01 179.33 3k2c s LEU 93 N -8.80 4.22 0.26 1.64 1.43 -1.26 -5.10 118.68 111.08 3k2c s LEU 93 Ca -0.10 0.78 0.09 0.00 -1.03 0.00 0.00 54.13 53.87 3k2c s LEU 93 Cb 0.12 -3.48 -0.05 0.00 0.03 0.00 0.00 46.19 42.81 3k2c s LEU 93 CO 0.85 -0.00 -0.14 -0.54 0.23 0.00 0.00 176.35 176.74 3k2c s LYS 94 N -2.69 1.55 -1.24 1.70 3.01 -1.26 -4.41 119.74 116.40 3k2c s LYS 94 Ca 0.44 -1.73 -0.12 0.00 -1.01 0.00 0.00 55.97 53.55 3k2c s LYS 94 Cb -0.12 -1.43 0.17 0.00 -1.01 0.00 0.00 37.83 35.44 3k2c s LYS 94 CO 0.22 0.21 1.63 0.72 0.51 0.00 0.00 175.35 178.64 3k2c n HIS 95 N -0.55 4.09 0.61 3.18 8.25 -1.26 -4.77 115.22 124.77 3k2c n HIS 95 Ca -0.06 -3.11 0.11 0.00 -0.26 0.00 0.00 57.72 54.41 3k2c n HIS 95 Cb 0.61 -2.09 0.05 0.00 1.12 0.00 0.00 29.99 29.68 3k2c n HIS 95 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3k2c n THR 96 N 4.08 0.17 -3.77 1.59 -2.24 -1.26 -2.22 114.28 110.62 3k2c n THR 96 Ca 0.38 -0.22 -0.03 0.00 -2.27 0.00 0.00 64.05 61.91 3k2c n THR 96 Cb 0.40 0.20 -0.01 0.00 -2.10 0.00 0.00 70.33 68.83 3k2c n THR 96 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3k2c s LYS 97 N -3.17 1.22 0.58 -0.78 -2.85 -1.26 -4.52 119.74 108.96 3k2c s LYS 97 Ca 0.05 -0.70 -0.20 0.00 -1.00 0.00 0.00 55.97 54.12 3k2c s LYS 97 Cb 0.15 0.40 -0.03 0.00 -2.06 0.00 0.00 37.83 36.28 3k2c s LYS 97 CO 0.79 -0.56 1.33 -1.83 0.10 0.00 0.00 175.35 175.17 3k2c s GLU 98 N -3.08 2.92 0.00 1.78 -1.05 -1.23 -3.74 118.70 114.30 3k2c s GLU 98 Ca 0.14 2.15 0.00 0.00 -0.15 0.00 0.00 54.97 57.11 3k2c s GLU 98 Cb -0.01 -2.09 0.00 0.00 -0.44 0.00 0.00 34.13 31.59 3k2c s GLU 98 CO 0.03 -1.34 0.00 0.41 0.95 0.00 0.00 175.26 175.31 3k2c n GLY 99 N 0.78 0.66 3.78 -3.83 0.00 0.33 -4.87 105.19 102.04 3k2c n GLY 99 Ca 0.13 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 3k2c n GLY 99 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k2c s ILE 100 N -2.00 4.45 -0.21 -0.61 -1.09 -1.25 -0.53 121.20 119.97 3k2c s ILE 100 Ca 0.00 1.64 -0.04 0.00 -2.23 0.00 0.00 60.65 60.02 3k2c s ILE 100 Cb 0.00 -4.11 -0.01 0.00 -1.58 0.00 0.00 42.46 36.76 3k2c s ILE 100 CO 0.00 0.51 -0.04 -0.22 -1.23 0.00 0.00 174.94 173.96 3k2c s LEU 101 N -1.04 2.94 0.04 2.97 2.96 -0.72 -1.06 118.68 124.78 3k2c s LEU 101 Ca 0.35 -0.35 -0.07 0.00 -0.22 0.00 0.00 54.13 53.84 3k2c s LEU 101 Cb -0.22 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 3k2c s LEU 101 CO 0.25 0.01 0.13 -0.55 -1.32 0.00 0.00 176.35 174.87 3k2c s SER 102 N 1.31 0.12 -0.01 3.68 0.15 -0.85 -1.43 113.70 116.67 3k2c s SER 102 Ca 0.04 -0.47 -0.30 0.00 0.70 0.00 0.00 55.95 55.92 3k2c s SER 102 Cb -0.14 0.25 -0.03 0.00 -1.71 0.00 0.00 66.02 64.39 3k2c s SER 102 CO -0.02 -0.52 1.01 -0.04 1.20 0.00 0.00 173.24 174.86 3k2c s MET 103 N -2.58 4.53 0.56 5.44 -1.94 -0.21 -0.84 119.30 124.26 3k2c s MET 103 Ca -0.05 1.45 -0.17 0.00 -1.71 0.00 0.00 55.69 55.21 3k2c s MET 103 Cb -0.01 -3.46 -0.05 0.00 2.01 0.00 0.00 34.83 33.31 3k2c s MET 103 CO -0.04 -0.11 1.04 0.00 -0.01 0.00 0.00 175.02 175.89 3k2c s ALA 104 N 1.17 2.84 0.33 3.03 0.00 -0.55 -4.27 121.76 124.30 3k2c s ALA 104 Ca 0.52 0.37 -0.17 0.00 0.00 0.00 0.00 51.96 52.68 3k2c s ALA 104 Cb -0.21 -3.21 0.06 0.00 0.00 0.00 0.00 23.12 19.76 3k2c s ALA 104 CO 0.27 -0.59 0.87 0.54 0.00 0.00 0.00 175.76 176.84 3k2c s ASN 105 N -2.74 0.02 -0.30 0.00 2.20 -1.26 -4.53 114.94 108.32 3k2c s ASN 105 Ca 0.63 -1.02 0.13 0.00 -0.94 0.00 0.00 52.86 51.65 3k2c s ASN 105 Cb -0.14 0.75 0.47 0.00 -2.00 0.00 0.00 41.25 40.33 3k2c s ASN 105 CO 0.33 -1.49 1.14 0.00 -2.94 0.00 0.00 177.10 174.14 3k2c n GLY 107 N -0.61 1.91 3.61 0.00 0.00 -1.26 -4.98 105.19 103.85 3k2c n GLY 107 Ca 0.30 -2.09 -0.47 0.00 0.00 0.00 0.00 46.02 43.75 3k2c n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k2c n ALA 108 N -1.19 -0.14 -3.61 4.61 0.00 -1.26 -2.91 120.51 116.01 3k2c n ALA 108 Ca 0.00 0.44 -0.22 0.00 0.00 0.00 0.00 53.44 53.66 3k2c n ALA 108 Cb 0.00 -2.10 0.07 0.00 0.00 0.00 0.00 19.45 17.42 3k2c n ALA 108 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3k2c n HIS 109 N 1.49 -2.44 -1.86 0.00 8.25 -1.26 -4.91 115.22 114.49 3k2c n HIS 109 Ca 0.13 0.95 0.05 0.00 -0.26 0.00 0.00 57.72 58.60 3k2c n HIS 109 Cb 0.27 -4.80 0.14 0.00 1.12 0.00 0.00 29.99 26.73 3k2c n HIS 109 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3k2c n THR 110 N -4.58 1.47 -1.82 1.59 -2.24 -1.15 -4.48 114.28 103.08 3k2c n THR 110 Ca -0.12 -2.45 -0.42 0.00 -2.27 0.00 0.00 64.05 58.79 3k2c n THR 110 Cb 0.61 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.96 3k2c n THR 110 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3k2c s ASN 111 N -2.80 6.46 0.00 3.42 0.01 -1.02 -4.39 114.94 116.63 3k2c s ASN 111 Ca 0.36 2.79 0.00 0.00 -0.71 0.00 0.00 52.86 55.30 3k2c s ASN 111 Cb 0.36 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.42 3k2c s ASN 111 CO -0.09 -0.90 0.00 0.61 -1.51 0.00 0.00 177.10 175.21 3k2c n GLY 112 N 3.50 1.44 0.00 0.66 0.00 -1.26 -1.36 105.19 108.16 3k2c n GLY 112 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3k2c n GLY 112 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k2c n SER 113 N 0.00 0.25 -4.76 1.61 3.41 -1.26 -3.57 113.62 109.30 3k2c n SER 113 Ca 0.00 -0.62 -0.39 0.00 -0.26 0.00 0.00 58.87 57.59 3k2c n SER 113 Cb 0.00 0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 64.14 3k2c n SER 113 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3k2c s GLN 114 N -0.25 4.72 0.11 4.33 -0.21 -1.25 -4.50 119.66 122.61 3k2c s GLN 114 Ca 0.00 1.52 -0.05 0.00 0.02 0.00 0.00 55.36 56.85 3k2c s GLN 114 Cb 0.00 -3.12 -0.02 0.00 1.00 0.00 0.00 33.01 30.87 3k2c s GLN 114 CO 0.00 0.37 0.13 -0.59 -2.12 0.00 0.00 175.29 173.08 3k2c s PHE 115 N -1.30 0.51 0.09 0.91 -0.12 -0.52 -1.48 117.98 116.08 3k2c s PHE 115 Ca 0.45 -0.93 0.00 0.00 -0.05 0.00 0.00 56.93 56.39 3k2c s PHE 115 Cb -0.25 -0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 41.84 3k2c s PHE 115 CO 0.32 -0.55 -0.02 -0.59 -0.05 0.00 0.00 175.22 174.33 3k2c s PHE 116 N -3.96 0.78 -0.08 3.49 -0.12 -0.02 -1.75 117.98 116.32 3k2c s PHE 116 Ca 0.14 -1.05 0.04 0.00 -0.05 0.00 0.00 56.93 56.02 3k2c s PHE 116 Cb 0.06 -0.48 0.00 0.00 -0.63 0.00 0.00 43.02 41.97 3k2c s PHE 116 CO -0.04 -0.31 -0.21 0.42 -0.05 0.00 0.00 175.22 175.03 3k2c s ILE 117 N -3.82 1.80 0.35 -4.49 1.01 0.38 -2.02 121.20 114.42 3k2c s ILE 117 Ca 0.14 -0.88 -0.19 0.00 0.00 0.00 0.00 60.65 59.72 3k2c s ILE 117 Cb 0.07 -1.57 -0.10 0.00 0.01 0.00 0.00 42.46 40.87 3k2c s ILE 117 CO -0.04 0.50 0.84 0.42 0.00 0.00 0.00 174.94 176.66 3k2c s THR 118 N 0.35 4.51 -1.62 2.92 -4.23 -0.23 -1.37 115.64 115.97 3k2c s THR 118 Ca -0.16 1.28 0.21 0.00 -1.18 0.00 0.00 61.69 61.84 3k2c s THR 118 Cb -0.17 -3.67 0.66 0.00 1.34 0.00 0.00 72.50 70.66 3k2c s THR 118 CO 0.07 -0.17 1.56 0.18 -0.54 0.00 0.00 174.62 175.72 3k2c n LEU 119 N -0.27 4.19 0.00 4.79 4.77 0.18 -0.51 117.00 130.14 3k2c n LEU 119 Ca 0.04 -2.16 0.00 0.00 -0.03 0.00 0.00 56.01 53.86 3k2c n LEU 119 Cb 0.53 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3k2c n LEU 119 CO 0.40 0.92 0.00 0.61 -1.33 0.00 0.00 177.39 177.99 3k2c n GLY 120 N 1.41 -0.56 3.73 -0.72 0.00 -1.26 -4.68 105.19 103.10 3k2c n GLY 120 Ca 0.24 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 3k2c n GLY 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3k2c s LYS 121 N -2.00 4.15 -0.45 1.61 2.20 -1.26 -3.55 119.74 120.44 3k2c s LYS 121 Ca 0.00 2.53 0.08 0.00 -0.36 0.00 0.00 55.97 58.22 3k2c s LYS 121 Cb 0.00 -3.08 0.27 0.00 -1.51 0.00 0.00 37.83 33.51 3k2c s LYS 121 CO 0.00 -0.68 0.62 0.25 -0.36 0.00 0.00 175.35 175.18 3k2c n THR 122 N 3.47 0.19 0.28 3.43 -2.24 -0.94 -4.92 114.28 113.54 3k2c n THR 122 Ca 0.13 -4.42 0.13 0.00 -2.27 0.00 0.00 64.05 57.62 3k2c n THR 122 Cb 0.37 -1.70 0.81 0.00 -2.10 0.00 0.00 70.33 67.71 3k2c n THR 122 CO 0.00 0.00 0.00 0.06 -0.57 0.00 0.00 175.07 174.56 3k2c h GLN 123 N 3.83 0.00 0.00 -0.78 -0.00 -1.93 -1.97 115.11 114.25 3k2c h GLN 123 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.75 3k2c h GLN 123 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.31 3k2c h GLN 123 CO 0.56 0.05 0.00 -2.67 -0.00 0.00 0.00 178.83 176.77 3k2c n TRP 124 N -3.89 0.00 0.87 0.06 2.14 -1.26 -1.82 117.44 113.54 3k2c n TRP 124 Ca -0.03 0.00 0.11 0.00 2.07 0.00 0.00 57.50 59.66 3k2c n TRP 124 Cb 0.14 -0.48 0.09 0.00 -0.81 0.00 0.00 31.31 30.25 3k2c n TRP 124 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 3k2c n LEU 125 N -1.48 0.66 -4.78 5.67 4.77 -0.74 -4.86 117.00 116.24 3k2c n LEU 125 Ca 0.02 -0.13 -0.41 0.00 -0.03 0.00 0.00 56.01 55.46 3k2c n LEU 125 Cb 0.08 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3k2c n LEU 125 CO 0.06 0.13 1.13 -1.81 -1.33 0.00 0.00 177.39 175.58 3k2c s ASP 126 N -3.28 6.33 0.00 -1.43 1.01 -0.76 -1.46 116.67 117.09 3k2c s ASP 126 Ca 0.08 3.04 0.00 0.00 0.71 0.00 0.00 52.55 56.38 3k2c s ASP 126 Cb 0.16 -2.67 0.00 0.00 1.01 0.00 0.00 42.92 41.42 3k2c s ASP 126 CO 0.77 -0.88 0.00 -0.62 0.21 0.00 0.00 175.17 174.65 3k2c n GLU 127 N 0.44 -0.47 -0.03 8.23 1.02 -1.26 -4.73 120.64 123.84 3k2c n GLU 127 Ca 0.01 0.12 -0.03 0.00 -0.02 0.00 0.00 57.16 57.24 3k2c n GLU 127 Cb 0.39 -3.89 -0.05 0.00 -0.02 0.00 0.00 31.44 27.87 3k2c n GLU 127 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3k2c n LYS 128 N -1.46 2.92 -4.64 3.49 5.02 -0.53 -5.03 118.16 117.93 3k2c n LYS 128 Ca 0.00 -0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 3k2c n LYS 128 Cb 0.12 -1.16 -0.16 0.00 -0.02 0.00 0.00 35.03 33.81 3k2c n LYS 128 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3k2c s HIS 129 N -2.15 1.39 -0.32 2.13 3.76 -0.80 -4.88 115.29 114.42 3k2c s HIS 129 Ca -0.03 -0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 54.19 3k2c s HIS 129 Cb 0.02 -0.96 0.01 0.00 1.11 0.00 0.00 32.58 32.76 3k2c s HIS 129 CO 0.25 -0.15 1.17 0.08 -0.85 0.00 0.00 174.74 175.24 3k2c s VAL 130 N 0.17 4.34 -0.00 -0.90 1.01 -1.26 -4.81 120.40 118.95 3k2c s VAL 130 Ca -0.05 1.52 -0.29 0.00 0.00 0.00 0.00 61.98 63.16 3k2c s VAL 130 Cb -0.11 -4.33 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 3k2c s VAL 130 CO 0.02 -0.52 0.94 -0.69 0.00 0.00 0.00 175.10 174.84 3k2c s VAL 131 N 3.99 4.88 0.00 2.92 1.01 -1.26 -1.04 120.40 130.89 3k2c s VAL 131 Ca 0.50 1.97 0.00 0.00 0.00 0.00 0.00 61.98 64.45 3k2c s VAL 131 Cb -0.14 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.97 3k2c s VAL 131 CO 0.20 0.18 0.35 2.22 0.00 0.00 0.00 175.10 178.05 3k2c n PHE 132 N 3.81 0.00 -4.00 5.22 1.16 -0.51 -4.65 117.46 118.49 3k2c n PHE 132 Ca 0.05 -0.06 0.01 0.00 -1.87 0.00 0.00 57.45 55.58 3k2c n PHE 132 Cb 0.51 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.38 3k2c n PHE 132 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3k2c n GLY 133 N -0.06 0.31 3.32 4.97 0.00 -1.06 -0.71 105.19 111.96 3k2c n GLY 133 Ca 0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 3k2c n GLY 133 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3k2c s GLU 134 N -2.00 0.98 -0.06 1.61 -1.05 -0.32 -1.75 118.70 116.11 3k2c s GLU 134 Ca 0.10 -0.51 -0.30 0.00 -0.15 0.00 0.00 54.97 54.12 3k2c s GLU 134 Cb -0.00 0.44 -0.03 0.00 -0.44 0.00 0.00 34.13 34.09 3k2c s GLU 134 CO -0.01 -0.36 1.25 0.08 0.95 0.00 0.00 175.26 177.18 3k2c s VAL 135 N -3.03 4.15 -0.03 1.83 1.01 0.31 -1.19 120.40 123.46 3k2c s VAL 135 Ca -0.02 1.47 0.09 0.00 0.00 0.00 0.00 61.98 63.53 3k2c s VAL 135 Cb 0.00 -3.95 -0.14 0.00 0.00 0.00 0.00 36.38 32.29 3k2c s VAL 135 CO -0.06 -0.02 0.21 1.33 0.00 0.00 0.00 175.10 176.55 3k2c n VAL 136 N 4.76 0.00 -3.96 2.92 0.24 -0.20 -4.92 118.33 117.16 3k2c n VAL 136 Ca 0.12 -0.21 -0.11 0.00 -2.04 0.00 0.00 64.34 62.10 3k2c n VAL 136 Cb 0.45 0.32 -0.12 0.00 -1.47 0.00 0.00 33.84 33.02 3k2c n VAL 136 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3k2c s GLU 137 N -2.61 0.24 0.00 7.34 2.02 -1.14 -4.95 118.70 119.61 3k2c s GLU 137 Ca -0.03 -0.41 0.00 0.00 0.02 0.00 0.00 54.97 54.55 3k2c s GLU 137 Cb 0.06 0.00 0.00 0.00 0.10 0.00 0.00 34.13 34.29 3k2c s GLU 137 CO 0.38 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 176.06 3k2c n GLY 138 N 2.12 0.56 0.35 -1.39 0.00 -1.26 -1.50 105.19 104.08 3k2c n GLY 138 Ca -0.20 -0.83 0.11 0.00 0.00 0.00 0.00 46.02 45.10 3k2c n GLY 138 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3k2c h MET 139 N 0.00 0.49 0.00 1.61 4.05 -1.91 -0.43 114.93 118.73 3k2c h MET 139 Ca 0.00 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 3k2c h MET 139 Cb 0.43 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.12 3k2c h MET 139 CO 0.00 0.32 -0.05 0.38 0.23 0.00 0.00 176.91 177.79 3k2c h ASP 140 N 0.50 0.00 0.24 1.39 2.03 -1.95 -2.43 116.42 116.20 3k2c h ASP 140 Ca 0.29 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.39 3k2c h ASP 140 Cb 0.48 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.98 3k2c h ASP 140 CO -0.09 0.05 -0.81 0.58 -1.03 0.00 0.00 179.24 177.95 3k2c h VAL 141 N 0.00 1.38 -0.59 4.15 2.07 -1.39 -1.86 116.25 120.00 3k2c h VAL 141 Ca -0.00 -2.23 0.01 0.00 0.82 0.00 0.00 66.70 65.30 3k2c h VAL 141 Cb 0.11 2.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 3k2c h VAL 141 CO 0.01 0.67 0.39 0.58 0.02 0.00 0.00 177.57 179.24 3k2c h VAL 142 N 0.29 1.15 -0.44 2.57 2.07 -1.25 -1.42 116.25 119.21 3k2c h VAL 142 Ca -0.05 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 3k2c h VAL 142 Cb 1.41 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3k2c h VAL 142 CO 0.14 0.15 0.06 0.45 0.02 0.00 0.00 177.57 178.39 3k2c h HIS 143 N 0.80 0.70 -0.72 1.57 3.86 -1.29 -2.62 115.15 117.44 3k2c h HIS 143 Ca 0.22 -0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.37 3k2c h HIS 143 Cb -0.09 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.14 3k2c h HIS 143 CO -0.03 0.63 0.48 0.87 0.86 0.00 0.00 177.93 180.73 3k2c h LYS 144 N 0.65 0.94 -0.78 2.45 1.57 -0.86 -2.66 116.57 117.88 3k2c h LYS 144 Ca 0.14 -0.06 0.11 0.00 -1.87 0.00 0.00 60.65 58.97 3k2c h LYS 144 Cb 0.31 -0.21 -0.08 0.00 0.08 0.00 0.00 32.23 32.33 3k2c h LYS 144 CO 0.00 0.62 0.41 0.82 -0.57 0.00 0.00 179.45 180.73 3k2c h ILE 145 N 0.97 0.84 -0.09 1.86 2.04 -0.92 -1.88 117.51 120.33 3k2c h ILE 145 Ca 0.27 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 3k2c h ILE 145 Cb -0.10 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.09 3k2c h ILE 145 CO -0.06 0.12 0.05 0.00 0.00 0.00 0.00 178.15 178.26 3k2c h ALA 146 N 1.47 1.93 0.00 1.87 0.00 -1.17 -1.54 119.26 121.81 3k2c h ALA 146 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3k2c h ALA 146 Cb 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3k2c h ALA 146 CO -0.29 0.07 0.19 0.87 0.00 0.00 0.00 179.25 180.10 3k2c h LYS 147 N 0.12 0.00 -0.50 0.00 1.79 -1.21 -2.44 116.57 114.34 3k2c h LYS 147 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 3k2c h LYS 147 Cb -0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3k2c h LYS 147 CO -0.01 0.00 0.00 0.66 -1.08 0.00 0.00 179.45 179.02 3k2c n TYR 148 N -2.44 0.76 -2.42 -1.35 4.01 -0.58 -4.96 117.16 110.17 3k2c n TYR 148 Ca -0.02 -0.53 0.00 0.00 -0.16 0.00 0.00 57.90 57.19 3k2c n TYR 148 Cb 0.23 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 3k2c n TYR 148 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k2c n GLY 149 N 0.87 4.99 3.71 2.72 0.00 -0.92 0.26 105.19 116.82 3k2c n GLY 149 Ca 0.18 -2.01 -0.05 0.00 0.00 0.00 0.00 46.02 44.13 3k2c n GLY 149 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k2c s SER 150 N 0.10 -0.25 0.31 1.61 1.04 -0.96 -4.74 113.70 110.81 3k2c s SER 150 Ca 0.00 -0.34 0.07 0.00 0.48 0.00 0.00 55.95 56.15 3k2c s SER 150 Cb 0.00 0.52 0.77 0.00 0.10 0.00 0.00 66.02 67.41 3k2c s SER 150 CO 0.00 -0.94 1.76 1.05 0.98 0.00 0.00 173.24 176.09 3k2c h GLU 151 N 2.00 0.68 0.00 4.02 9.09 -1.92 -0.56 114.58 127.89 3k2c h GLU 151 Ca -0.24 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.13 3k2c h GLU 151 Cb 1.24 -0.15 0.00 0.00 -1.65 0.00 0.00 28.75 28.19 3k2c h GLU 151 CO 0.27 0.45 -0.07 0.66 0.05 0.00 0.00 179.01 180.36 3k2c h SER 152 N 0.70 0.00 0.00 3.06 4.64 -1.96 -3.47 113.55 116.51 3k2c h SER 152 Ca 0.59 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 3k2c h SER 152 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3k2c h SER 152 CO -0.41 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.17 3k2c n GLY 153 N 1.30 1.11 3.76 -0.77 0.00 -0.22 -4.96 105.19 105.42 3k2c n GLY 153 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 3k2c n GLY 153 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k2c s GLN 154 N -0.80 3.55 -0.01 1.61 -0.21 -1.26 -1.54 119.66 120.99 3k2c s GLN 154 Ca 0.00 2.23 -0.16 0.00 0.02 0.00 0.00 55.36 57.45 3k2c s GLN 154 Cb 0.00 -2.50 -0.06 0.00 1.00 0.00 0.00 33.01 31.45 3k2c s GLN 154 CO 0.00 -0.86 0.44 0.08 -2.12 0.00 0.00 175.29 172.82 3k2c s VAL 155 N -1.29 5.02 0.05 1.09 1.01 -1.26 -3.32 120.40 121.70 3k2c s VAL 155 Ca 0.64 0.90 -0.36 0.00 0.00 0.00 0.00 61.98 63.17 3k2c s VAL 155 Cb -0.40 -3.75 -0.19 0.00 0.00 0.00 0.00 36.38 32.04 3k2c s VAL 155 CO 0.49 0.53 0.90 1.17 0.00 0.00 0.00 175.10 178.20 3k2c n LYS 156 N 2.12 0.00 -1.69 2.72 4.81 0.14 -4.83 118.16 121.43 3k2c n LYS 156 Ca -0.12 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 56.88 3k2c n LYS 156 Cb 0.52 -1.33 -0.02 0.00 0.02 0.00 0.00 35.03 34.22 3k2c n LYS 156 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 3k2c n LYS 157 N 1.33 2.25 -0.15 1.64 2.85 -1.26 -1.86 118.16 122.95 3k2c n LYS 157 Ca 0.19 0.80 0.00 0.00 -1.05 0.00 0.00 58.31 58.25 3k2c n LYS 157 Cb 0.12 -2.51 0.00 0.00 -0.65 0.00 0.00 35.03 32.00 3k2c n LYS 157 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3k2c n GLY 158 N 2.25 1.23 3.62 2.58 0.00 -1.26 -5.04 105.19 108.57 3k2c n GLY 158 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3k2c n GLY 158 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k2c s TYR 159 N -2.64 3.02 -0.15 1.61 2.02 -0.78 -4.95 117.35 115.47 3k2c s TYR 159 Ca 0.00 0.08 0.02 0.00 -0.37 0.00 0.00 57.07 56.80 3k2c s TYR 159 Cb 0.00 -1.73 0.02 0.00 -0.40 0.00 0.00 41.96 39.85 3k2c s TYR 159 CO 0.00 0.39 -0.19 0.50 -1.57 0.00 0.00 175.55 174.68 3k2c s ARG 160 N -0.91 2.77 -0.45 -0.62 3.52 -1.26 -4.82 118.95 117.18 3k2c s ARG 160 Ca 0.13 -0.75 -0.16 0.00 -0.13 0.00 0.00 55.73 54.83 3k2c s ARG 160 Cb -0.11 -2.34 0.05 0.00 -1.56 0.00 0.00 34.95 30.99 3k2c s ARG 160 CO 0.03 -0.13 0.37 0.42 -0.81 0.00 0.00 175.30 175.18 3k2c s ILE 161 N 1.12 5.22 0.00 4.11 -1.09 -1.26 -1.40 121.20 127.90 3k2c s ILE 161 Ca -0.01 -0.88 0.06 0.00 -2.23 0.00 0.00 60.65 57.59 3k2c s ILE 161 Cb -0.14 -4.06 -0.03 0.00 -1.58 0.00 0.00 42.46 36.64 3k2c s ILE 161 CO -0.07 -0.49 -0.16 -0.70 -1.23 0.00 0.00 174.94 172.29 3k2c s GLU 162 N 1.71 2.28 -0.89 2.79 2.12 0.20 -1.17 118.70 125.73 3k2c s GLU 162 Ca 0.05 -0.85 -0.20 0.00 0.36 0.00 0.00 54.97 54.33 3k2c s GLU 162 Cb -0.22 -2.28 0.12 0.00 0.26 0.00 0.00 34.13 32.01 3k2c s GLU 162 CO 0.08 0.58 1.12 0.42 -0.54 0.00 0.00 175.26 176.92 3k2c s ILE 163 N -0.85 4.60 0.24 -3.70 1.01 0.87 -1.33 121.20 122.05 3k2c s ILE 163 Ca 0.14 -1.33 0.02 0.00 0.00 0.00 0.00 60.65 59.48 3k2c s ILE 163 Cb -0.11 -4.79 -0.01 0.00 0.01 0.00 0.00 42.46 37.57 3k2c s ILE 163 CO 0.04 -1.53 1.60 -0.09 0.00 0.00 0.00 174.94 174.96 3k2c h ARG 164 N 9.02 0.37 -3.53 2.79 9.65 -1.51 0.24 114.38 131.41 3k2c h ARG 164 Ca 0.09 -0.21 -0.09 0.00 -1.10 0.00 0.00 59.98 58.67 3k2c h ARG 164 Cb 1.03 0.01 -0.16 0.00 -1.39 0.00 0.00 29.97 29.47 3k2c h ARG 164 CO 1.14 0.78 -0.30 0.34 2.80 0.00 0.00 179.97 184.73 3k2c s ASP 165 N -6.88 -0.02 0.18 -3.80 2.15 -1.21 -4.36 116.67 102.72 3k2c s ASP 165 Ca -0.06 -0.39 -0.23 0.00 0.43 0.00 0.00 52.55 52.30 3k2c s ASP 165 Cb 0.12 0.35 0.06 0.00 -0.30 0.00 0.00 42.92 43.15 3k2c s ASP 165 CO 0.80 -0.66 0.70 0.00 -0.17 0.00 0.00 175.17 175.84 3k2c n GLY 167 N -0.40 -1.39 3.76 0.00 0.00 -1.02 -4.77 105.19 101.38 3k2c n GLY 167 Ca -0.11 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 3k2c n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k2c s VAL 168 N -2.90 5.13 0.21 1.61 1.01 -1.26 -1.25 120.40 122.94 3k2c s VAL 168 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 3k2c s VAL 168 Cb 0.00 -3.26 -0.10 0.00 0.00 0.00 0.00 36.38 33.02 3k2c s VAL 168 CO 0.00 0.55 1.44 -0.76 0.00 0.00 0.00 175.10 176.33 3k2c s LEU 169 N -0.42 4.39 0.00 3.92 1.43 -0.32 -4.96 118.68 122.71 3k2c s LEU 169 Ca 0.11 2.58 0.00 0.00 -1.03 0.00 0.00 54.13 55.79 3k2c s LEU 169 Cb -0.12 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.49 3k2c s LEU 169 CO 0.02 -0.69 0.00 0.61 0.23 0.00 0.00 176.35 176.51