#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krn n ARG 4 N 0.00 0.00 -1.11 1.61 1.85 -1.26 -4.24 116.66 113.50 3krn n ARG 4 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.55 3krn n ARG 4 Cb 0.00 0.00 0.23 0.00 -1.05 0.00 0.00 32.46 31.64 3krn n ARG 4 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3krn s LEU 5 N 0.00 0.85 0.00 2.89 1.43 -1.26 -3.95 118.68 118.64 3krn s LEU 5 Ca 0.00 0.69 0.01 0.00 -1.03 0.00 0.00 54.13 53.81 3krn s LEU 5 Cb 0.00 -2.49 -0.00 0.00 0.03 0.00 0.00 46.19 43.72 3krn s LEU 5 CO 0.00 -3.97 0.11 -2.11 0.23 0.00 0.00 176.35 170.61 3krn n ARG 6 N -4.67 0.16 -1.08 1.70 1.85 -1.26 -5.00 116.66 108.36 3krn n ARG 6 Ca 0.12 -0.94 -0.35 0.00 -1.00 0.00 0.00 57.85 55.67 3krn n ARG 6 Cb 0.59 0.82 0.08 0.00 -1.05 0.00 0.00 32.46 32.90 3krn n ARG 6 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 3krn n GLU 7 N -0.18 0.05 -3.69 2.89 2.13 -1.26 -4.59 120.64 115.98 3krn n GLU 7 Ca 0.02 0.05 -0.22 0.00 0.66 0.00 0.00 57.16 57.67 3krn n GLU 7 Cb 0.18 -1.64 -0.18 0.00 0.27 0.00 0.00 31.44 30.07 3krn n GLU 7 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 3krn s MET 8 N -2.78 0.16 -0.39 5.31 -1.94 -1.25 0.18 119.30 118.59 3krn s MET 8 Ca 0.58 0.19 -0.06 0.00 -1.71 0.00 0.00 55.69 54.69 3krn s MET 8 Cb -0.29 -0.93 0.08 0.00 2.01 0.00 0.00 34.83 35.70 3krn s MET 8 CO 0.65 -0.39 0.19 0.50 -0.01 0.00 0.00 175.02 175.96 3krn s ARG 9 N 2.10 2.43 -0.20 2.03 3.52 0.15 -4.95 118.95 124.02 3krn s ARG 9 Ca 0.04 -1.49 -0.03 0.00 -0.13 0.00 0.00 55.73 54.12 3krn s ARG 9 Cb -0.13 -3.62 0.06 0.00 -1.56 0.00 0.00 34.95 29.71 3krn s ARG 9 CO -0.05 -0.91 0.04 0.00 -0.81 0.00 0.00 175.30 173.57 3krn s GLU 11 N 1.84 2.53 0.00 0.00 2.02 -1.26 -5.01 118.70 118.82 3krn s GLU 11 Ca -0.01 -1.49 0.00 0.00 0.02 0.00 0.00 54.97 53.49 3krn s GLU 11 Cb -0.17 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.73 3krn s GLU 11 CO -0.09 -0.03 0.34 1.28 0.02 0.00 0.00 175.26 176.78 3krn n LEU 12 N -1.38 0.66 -0.27 1.80 4.77 -1.26 -3.51 117.00 117.81 3krn n LEU 12 Ca 0.00 -0.66 0.07 0.00 -0.03 0.00 0.00 56.01 55.39 3krn n LEU 12 Cb 0.61 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 42.01 3krn n LEU 12 CO 0.43 0.17 0.71 -0.24 -1.33 0.00 0.00 177.39 177.12 3krn n SER 13 N -0.02 0.80 -0.19 -1.43 2.88 -1.26 -4.27 113.62 110.13 3krn n SER 13 Ca 0.00 -1.74 -0.04 0.00 -1.33 0.00 0.00 58.87 55.76 3krn n SER 13 Cb 0.11 -0.07 0.06 0.00 -0.75 0.00 0.00 64.21 63.55 3krn n SER 13 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 3krn h PHE 14 N 0.98 0.59 0.00 0.66 0.04 -1.86 -3.51 116.94 113.85 3krn h PHE 14 Ca 0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3krn h PHE 14 Cb 0.22 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.18 3krn h PHE 14 CO 0.07 0.32 0.00 -0.11 -0.60 0.00 0.00 178.31 177.99 3krn n LEU 15 N -4.80 0.00 -3.11 1.54 7.94 -1.26 -5.06 117.00 112.24 3krn n LEU 15 Ca 0.05 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.52 3krn n LEU 15 Cb 0.11 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.00 3krn n LEU 15 CO 0.31 0.00 0.65 0.61 -1.11 0.00 0.00 177.39 177.84 3krn n GLY 20 N 0.00 0.03 3.63 -3.96 0.00 -1.26 -5.22 105.19 98.41 3krn n GLY 20 Ca 0.00 0.62 -0.13 0.00 0.00 0.00 0.00 46.02 46.51 3krn n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3krn s SER 21 N 1.37 -0.71 0.04 1.61 0.01 -1.26 -4.66 113.70 110.11 3krn s SER 21 Ca 0.67 1.36 -0.04 0.00 1.31 0.00 0.00 55.95 59.25 3krn s SER 21 Cb -0.95 1.38 -0.02 0.00 0.21 0.00 0.00 66.02 66.64 3krn s SER 21 CO 0.49 -0.23 0.07 0.00 0.41 0.00 0.00 173.24 173.98 3krn s ALA 22 N 0.38 0.06 -0.31 1.44 0.00 -1.25 -4.19 121.76 117.89 3krn s ALA 22 Ca 0.00 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.28 3krn s ALA 22 Cb -0.05 0.27 0.15 0.00 0.00 0.00 0.00 23.12 23.49 3krn s ALA 22 CO -0.01 -0.33 0.39 0.00 0.00 0.00 0.00 175.76 175.81 3krn s PHE 24 N 2.25 2.55 -0.31 0.00 5.36 -1.11 -4.03 117.98 122.69 3krn s PHE 24 Ca 0.11 0.84 -0.05 0.00 -0.96 0.00 0.00 56.93 56.87 3krn s PHE 24 Cb -0.13 -3.41 0.19 0.00 -0.34 0.00 0.00 43.02 39.33 3krn s PHE 24 CO -0.25 -2.30 0.89 0.45 -1.46 0.00 0.00 175.22 172.55 3krn s SER 25 N -4.10 -0.82 -0.82 6.13 0.15 -0.48 -0.04 113.70 113.73 3krn s SER 25 Ca 0.64 -0.02 -0.26 0.00 0.70 0.00 0.00 55.95 57.00 3krn s SER 25 Cb -0.14 1.40 0.03 0.00 -1.71 0.00 0.00 66.02 65.59 3krn s SER 25 CO 0.53 -0.14 1.38 -1.10 1.20 0.00 0.00 173.24 175.12 3krn s GLN 26 N 2.67 3.26 0.50 5.44 -0.21 -0.27 0.31 119.66 131.36 3krn s GLN 26 Ca 0.20 -0.46 0.00 0.00 0.02 0.00 0.00 55.36 55.12 3krn s GLN 26 Cb -0.03 -4.57 0.00 0.00 1.00 0.00 0.00 33.01 29.40 3krn s GLN 26 CO -0.21 -2.24 0.00 0.41 -2.12 0.00 0.00 175.29 171.13 3krn n GLY 27 N 5.90 0.34 0.08 3.09 0.00 0.47 0.51 105.19 115.58 3krn n GLY 27 Ca 0.14 0.23 -0.06 0.00 0.00 0.00 0.00 46.02 46.34 3krn n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krn h ALA 28 N -0.31 0.58 -2.26 4.61 0.00 -1.89 -3.47 119.26 116.53 3krn h ALA 28 Ca 0.00 -1.05 -0.48 0.00 0.00 0.00 0.00 54.91 53.38 3krn h ALA 28 Cb 0.00 0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.94 3krn h ALA 28 CO 0.00 1.26 -0.16 0.99 0.00 0.00 0.00 179.25 181.34 3krn s THR 29 N -2.73 5.08 -0.22 0.00 2.01 0.18 -4.17 115.64 115.80 3krn s THR 29 Ca -0.01 -0.37 -0.27 0.00 0.31 0.00 0.00 61.69 61.35 3krn s THR 29 Cb 0.09 -3.86 0.10 0.00 0.01 0.00 0.00 72.50 68.84 3krn s THR 29 CO 0.81 -0.58 0.89 0.00 -0.69 0.00 0.00 174.62 175.06 3krn s ILE 31 N -0.24 0.68 -0.23 0.00 -4.36 0.95 -3.62 121.20 114.38 3krn s ILE 31 Ca -0.01 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.34 3krn s ILE 31 Cb -0.03 -2.60 0.09 0.00 1.25 0.00 0.00 42.46 41.16 3krn s ILE 31 CO -0.00 0.00 0.13 0.26 0.24 0.00 0.00 174.94 175.57 3krn s TRP 32 N -3.51 0.16 0.37 1.37 0.52 0.67 -2.74 118.94 115.78 3krn s TRP 32 Ca 0.35 -0.50 0.05 0.00 0.02 0.00 0.00 56.10 56.02 3krn s TRP 32 Cb 0.07 -0.74 0.05 0.00 -1.15 0.00 0.00 33.47 31.70 3krn s TRP 32 CO 0.15 -0.68 0.45 0.00 0.02 0.00 0.00 176.95 176.89 3krn n ALA 33 N 5.27 0.73 -3.34 0.98 0.00 0.37 -2.36 120.51 122.16 3krn n ALA 33 Ca -0.06 -1.39 0.01 0.00 0.00 0.00 0.00 53.44 52.00 3krn n ALA 33 Cb 0.46 0.44 0.01 0.00 0.00 0.00 0.00 19.45 20.36 3krn n ALA 33 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3krn n SER 34 N -2.36 -0.83 -3.88 0.00 2.88 -0.59 -3.89 113.62 104.95 3krn n SER 34 Ca 0.07 -1.52 0.03 0.00 -1.33 0.00 0.00 58.87 56.13 3krn n SER 34 Cb 0.40 1.37 0.01 0.00 -0.75 0.00 0.00 64.21 65.24 3krn n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3krn s SER 36 N -3.82 0.13 0.00 0.00 1.04 -1.03 -4.79 113.70 105.23 3krn s SER 36 Ca 0.30 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.45 3krn s SER 36 Cb -0.00 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.20 3krn s SER 36 CO -0.01 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.63 3krn n GLY 37 N 2.17 -0.49 0.04 7.32 0.00 -1.26 -4.35 105.19 108.63 3krn n GLY 37 Ca -0.19 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 3krn n GLY 37 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3krn h PRO 38 N 0.00 0.00 0.00 1.61 0.11 -1.89 -3.46 132.00 128.37 3krn h PRO 38 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3krn h PRO 38 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3krn h PRO 38 CO 0.00 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.20 3krn n GLY 39 N 1.79 2.81 2.85 -0.55 0.00 -1.25 -4.53 105.19 106.31 3krn n GLY 39 Ca -0.01 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 3krn n GLY 39 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3krn n ASP 40 N 0.39 5.61 0.00 1.61 -0.08 -1.26 -4.98 116.55 117.84 3krn n ASP 40 Ca 0.00 -3.41 0.00 0.00 -1.51 0.00 0.00 54.79 49.87 3krn n ASP 40 Cb 0.00 -1.10 0.00 0.00 2.34 0.00 0.00 41.12 42.36 3krn n ASP 40 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3krn n ASP 54 N 1.25 0.00 0.00 1.67 8.00 -1.26 -5.24 116.55 120.97 3krn n ASP 54 Ca 0.27 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.81 3krn n ASP 54 Cb 0.36 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.68 3krn n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3krn n ILE 55 N 0.00 0.00 -4.40 0.53 3.06 -1.26 -4.97 119.36 112.32 3krn n ILE 55 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 3krn n ILE 55 Cb 0.00 -0.38 0.00 0.00 0.54 0.00 0.00 39.64 39.80 3krn n ILE 55 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 3krn n SER 56 N -0.69 0.00 -4.33 9.51 7.64 -1.26 -4.94 113.62 119.55 3krn n SER 56 Ca 0.06 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.76 3krn n SER 56 Cb 0.03 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.12 3krn n SER 56 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3krn s TYR 57 N 0.00 1.60 -1.16 1.43 2.02 -1.26 -4.84 117.35 115.13 3krn s TYR 57 Ca 0.00 -0.70 -0.05 0.00 -0.37 0.00 0.00 57.07 55.95 3krn s TYR 57 Cb 0.00 -0.82 -0.03 0.00 -0.40 0.00 0.00 41.96 40.71 3krn s TYR 57 CO 0.00 0.20 0.88 0.54 -1.57 0.00 0.00 175.55 175.60 3krn n ARG 58 N -0.37 -3.93 -1.10 -0.62 3.00 -1.26 -4.89 116.66 107.49 3krn n ARG 58 Ca -0.08 0.75 0.00 0.00 -0.01 0.00 0.00 57.85 58.52 3krn n ARG 58 Cb 0.61 -5.48 0.00 0.00 0.00 0.00 0.00 32.46 27.60 3krn n ARG 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3krn n ALA 59 N -3.84 0.00 -2.14 7.54 0.00 -1.26 -4.76 120.51 116.05 3krn n ALA 59 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.95 3krn n ALA 59 Cb 0.64 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.06 3krn n ALA 59 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3krn s ASN 60 N -0.22 6.54 0.37 0.00 2.47 -1.26 -4.93 114.94 117.90 3krn s ASN 60 Ca 0.00 1.19 0.04 0.00 0.42 0.00 0.00 52.86 54.51 3krn s ASN 60 Cb 0.00 -2.35 -0.05 0.00 -1.45 0.00 0.00 41.25 37.40 3krn s ASN 60 CO 0.00 -0.42 0.06 0.00 -3.72 0.00 0.00 177.10 173.02 3krn n GLY 62 N -0.82 5.62 0.00 0.00 0.00 -1.23 -4.91 105.19 103.86 3krn n GLY 62 Ca -0.05 -2.79 0.09 0.00 0.00 0.00 0.00 46.02 43.27 3krn n GLY 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3krn n LYS 65 N -0.25 0.71 -3.55 1.61 3.00 -1.26 -4.92 118.16 113.50 3krn n LYS 65 Ca 0.31 -0.03 -0.21 0.00 -0.00 0.00 0.00 58.31 58.39 3krn n LYS 65 Cb 0.39 -1.41 -0.01 0.00 0.00 0.00 0.00 35.03 34.01 3krn n LYS 65 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 3krn s PHE 66 N -2.88 3.26 0.00 5.64 5.36 -1.26 -5.03 117.98 123.07 3krn s PHE 66 Ca 0.05 -0.05 0.00 0.00 -0.96 0.00 0.00 56.93 55.97 3krn s PHE 66 Cb 0.14 -1.90 0.00 0.00 -0.34 0.00 0.00 43.02 40.92 3krn s PHE 66 CO 0.78 0.09 0.00 0.27 -1.46 0.00 0.00 175.22 174.91 3krn n ASN 67 N -1.64 0.00 -2.77 6.13 6.94 -1.26 -4.51 115.26 118.15 3krn n ASN 67 Ca -0.03 0.00 -0.04 0.00 -0.02 0.00 0.00 54.58 54.49 3krn n ASN 67 Cb 0.58 0.00 0.04 0.00 -2.36 0.00 0.00 39.78 38.04 3krn n ASN 67 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 3krn n VAL 68 N 0.00 1.16 -3.22 3.53 3.14 -1.26 -4.95 118.33 116.73 3krn n VAL 68 Ca 0.00 -2.97 -0.16 0.00 -2.96 0.00 0.00 64.34 58.25 3krn n VAL 68 Cb 0.00 1.06 0.01 0.00 -1.06 0.00 0.00 33.84 33.85 3krn n VAL 68 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 3krn n LEU 69 N -0.39 -5.37 -0.29 6.55 -0.00 -1.26 -4.60 117.00 111.65 3krn n LEU 69 Ca 0.08 -0.04 0.18 0.00 -0.00 0.00 0.00 56.01 56.23 3krn n LEU 69 Cb 0.81 -2.66 0.35 0.00 -0.00 0.00 0.00 43.42 41.91 3krn n LEU 69 CO 0.15 -1.04 0.77 -3.20 -0.00 0.00 0.00 177.39 174.07 3krn n ASN 70 N -1.05 0.05 -0.14 1.96 5.15 -1.26 -1.68 115.26 118.28 3krn n ASN 70 Ca -0.04 1.45 0.26 0.00 -0.60 0.00 0.00 54.58 55.66 3krn n ASN 70 Cb 0.56 -0.59 0.54 0.00 -0.53 0.00 0.00 39.78 39.76 3krn n ASN 70 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3krn h ASN 71 N 0.00 0.00 0.00 1.20 -1.07 -1.97 0.26 115.58 114.00 3krn h ASN 71 Ca 0.60 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.97 3krn h ASN 71 Cb 1.39 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.64 3krn h ASN 71 CO -0.75 0.00 0.13 -0.29 0.07 0.00 0.00 177.43 176.58 3krn h ILE 72 N 0.00 0.00 0.00 6.14 6.09 -1.58 0.20 117.51 128.37 3krn h ILE 72 Ca 0.42 0.00 -0.09 0.00 -1.37 0.00 0.00 64.86 63.82 3krn h ILE 72 Cb 2.42 0.50 -0.01 0.00 0.47 0.00 0.00 36.82 40.20 3krn h ILE 72 CO -0.00 0.00 -0.43 0.16 -3.07 0.00 0.00 178.15 174.81 3krn h ILE 73 N 0.00 1.04 0.00 2.19 -2.65 -0.75 -1.97 117.51 115.37 3krn h ILE 73 Ca 0.00 -1.62 -0.04 0.00 1.03 0.00 0.00 64.86 64.24 3krn h ILE 73 Cb 0.25 1.94 -0.01 0.00 -2.05 0.00 0.00 36.82 36.96 3krn h ILE 73 CO 0.00 0.42 -0.18 1.12 0.03 0.00 0.00 178.15 179.54 3krn h HIS 74 N 0.00 0.00 0.01 0.16 2.07 -0.81 -2.43 115.15 114.15 3krn h HIS 74 Ca -0.00 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.30 3krn h HIS 74 Cb 0.91 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.91 3krn h HIS 74 CO 0.00 0.18 -0.84 1.03 -3.07 0.00 0.00 177.93 175.23 3krn h SER 75 N 0.00 0.72 -3.31 3.10 0.87 -1.46 -3.49 113.55 109.99 3krn h SER 75 Ca -0.00 -0.76 -0.57 0.00 -1.23 0.00 0.00 61.79 59.23 3krn h SER 75 Cb 0.45 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 62.13 3krn h SER 75 CO 0.02 1.39 -0.01 -0.89 -0.53 0.00 0.00 176.83 176.81 3krn s THR 76 N -3.23 4.89 0.00 2.23 2.01 -0.92 -5.13 115.64 115.49 3krn s THR 76 Ca -0.12 1.26 0.00 0.00 0.31 0.00 0.00 61.69 63.14 3krn s THR 76 Cb 0.05 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.62 3krn s THR 76 CO 0.87 0.42 0.00 0.59 -0.69 0.00 0.00 174.62 175.82 3krn n ASN 79 N 2.68 0.00 -3.66 3.53 3.02 -1.26 -4.94 115.26 114.63 3krn n ASN 79 Ca -0.07 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.40 3krn n ASN 79 Cb 0.51 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.66 3krn n ASN 79 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3krn s ALA 80 N 0.00 -1.48 -0.24 5.41 0.00 -1.26 -4.80 121.76 119.40 3krn s ALA 80 Ca 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 51.96 52.07 3krn s ALA 80 Cb 0.00 0.78 -0.01 0.00 0.00 0.00 0.00 23.12 23.89 3krn s ALA 80 CO 0.00 -0.92 -0.01 0.96 0.00 0.00 0.00 175.76 175.79 3krn s ILE 81 N -3.68 3.59 -1.45 0.00 -4.36 -1.26 -4.71 121.20 109.33 3krn s ILE 81 Ca 0.07 -0.48 -0.07 0.00 -0.26 0.00 0.00 60.65 59.91 3krn s ILE 81 Cb -0.03 -2.68 0.04 0.00 1.25 0.00 0.00 42.46 41.04 3krn s ILE 81 CO -0.02 0.36 0.65 -3.20 0.24 0.00 0.00 174.94 172.97 3krn n ASN 82 N 4.82 -5.25 -3.60 4.36 2.85 -1.26 -5.17 115.26 112.02 3krn n ASN 82 Ca -0.17 -0.38 -0.29 0.00 -0.11 0.00 0.00 54.58 53.62 3krn n ASN 82 Cb 0.50 -4.25 -0.08 0.00 1.24 0.00 0.00 39.78 37.20 3krn n ASN 82 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3krn n LEU 83 N -4.07 3.99 0.00 1.20 4.32 -1.26 -5.18 117.00 115.99 3krn n LEU 83 Ca -0.06 -5.37 0.00 0.00 -0.02 0.00 0.00 56.01 50.56 3krn n LEU 83 Cb 0.58 -0.78 0.00 0.00 -1.62 0.00 0.00 43.42 41.61 3krn n LEU 83 CO 0.53 1.94 0.00 0.35 -1.22 0.00 0.00 177.39 178.99 3krn n THR 89 N 1.15 0.00 -3.93 -5.08 -2.24 -1.26 -4.62 114.28 98.30 3krn n THR 89 Ca 0.28 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.77 3krn n THR 89 Cb 0.39 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.63 3krn n THR 89 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3krn n THR 90 N 0.00 -2.56 -3.95 4.28 -2.24 -1.26 -4.59 114.28 103.96 3krn n THR 90 Ca 0.00 -0.20 -0.35 0.00 -2.27 0.00 0.00 64.05 61.23 3krn n THR 90 Cb 0.00 -2.80 -0.11 0.00 -2.10 0.00 0.00 70.33 65.31 3krn n THR 90 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3krn s ILE 91 N -3.50 4.44 0.53 2.28 1.09 -1.26 -3.75 121.20 121.03 3krn s ILE 91 Ca 0.42 -0.14 -0.06 0.00 -1.10 0.00 0.00 60.65 59.76 3krn s ILE 91 Cb -0.21 -3.03 -0.03 0.00 -1.06 0.00 0.00 42.46 38.13 3krn s ILE 91 CO 0.85 0.40 0.85 -0.55 -0.10 0.00 0.00 174.94 176.40 3krn s SER 92 N 0.97 6.12 -0.43 3.58 0.15 -1.26 -4.87 113.70 117.96 3krn s SER 92 Ca 0.03 0.97 0.08 0.00 0.70 0.00 0.00 55.95 57.73 3krn s SER 92 Cb -0.14 -2.18 0.35 0.00 -1.71 0.00 0.00 66.02 62.35 3krn s SER 92 CO 0.03 -0.73 1.20 0.55 1.20 0.00 0.00 173.24 175.48 3krn n VAL 93 N -2.42 0.02 -1.80 4.45 3.14 -1.26 -2.45 118.33 118.01 3krn n VAL 93 Ca 0.02 -1.64 -0.40 0.00 -2.96 0.00 0.00 64.34 59.37 3krn n VAL 93 Cb 0.55 1.22 -0.03 0.00 -1.06 0.00 0.00 33.84 34.53 3krn n VAL 93 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 3krn s THR 94 N 0.07 3.21 0.01 1.55 -4.23 -1.26 -4.78 115.64 110.22 3krn s THR 94 Ca 0.23 0.18 0.08 0.00 -1.18 0.00 0.00 61.69 61.00 3krn s THR 94 Cb 0.34 -3.39 -0.02 0.00 1.34 0.00 0.00 72.50 70.76 3krn s THR 94 CO -0.06 -0.32 -0.26 -0.69 -0.54 0.00 0.00 174.62 172.75 3krn s VAL 95 N 9.21 2.14 0.14 2.29 1.01 -1.26 -1.54 120.40 132.39 3krn s VAL 95 Ca 0.87 -1.23 -0.14 0.00 0.00 0.00 0.00 61.98 61.47 3krn s VAL 95 Cb -0.21 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.40 3krn s VAL 95 CO 0.29 0.47 0.37 -2.28 0.00 0.00 0.00 175.10 173.95 3krn s HIS 96 N -0.72 -0.02 -0.28 5.22 5.65 -1.00 -4.66 115.29 119.48 3krn s HIS 96 Ca 0.11 -0.33 0.01 0.00 0.25 0.00 0.00 55.06 55.09 3krn s HIS 96 Cb -0.10 0.18 0.18 0.00 -1.18 0.00 0.00 32.58 31.65 3krn s HIS 96 CO 0.01 -0.72 0.52 0.20 -0.65 0.00 0.00 174.74 174.10 3krn s GLY 97 N -2.86 -0.87 0.30 1.59 0.00 -1.11 0.24 107.32 104.61 3krn s GLY 97 Ca 0.07 1.26 0.13 0.00 0.00 0.00 0.00 44.72 46.18 3krn s GLY 97 CO -0.08 3.24 1.64 0.16 0.00 0.00 0.00 173.10 178.06 3krn h ILE 98 N 6.06 1.26 -1.25 0.90 3.07 -1.77 -3.29 117.51 122.49 3krn h ILE 98 Ca -0.16 -1.96 -0.62 0.00 1.55 0.00 0.00 64.86 63.67 3krn h ILE 98 Cb 1.16 2.10 -0.17 0.00 -0.27 0.00 0.00 36.82 39.64 3krn h ILE 98 CO 0.24 0.54 1.12 1.67 -1.05 0.00 0.00 178.15 180.67 3krn n GLN 99 N -3.69 3.32 -1.57 0.16 -0.06 -1.24 -3.53 117.38 110.77 3krn n GLN 99 Ca -0.01 -2.95 -0.41 0.00 -2.00 0.00 0.00 57.00 51.63 3krn n GLN 99 Cb 0.59 -2.33 -0.03 0.00 -4.06 0.00 0.00 30.24 24.41 3krn n GLN 99 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3krn n ASP 100 N 0.96 3.26 -3.93 1.69 8.00 -1.24 -1.12 116.55 124.17 3krn n ASP 100 Ca 0.53 -2.76 -0.42 0.00 0.71 0.00 0.00 54.79 52.86 3krn n ASP 100 Cb 0.41 -1.42 -0.02 0.00 -0.02 0.00 0.00 41.12 40.07 3krn n ASP 100 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3krn n ASP 101 N 7.78 3.75 -0.06 -2.24 -0.08 -1.26 -4.90 116.55 119.54 3krn n ASP 101 Ca 0.50 -2.81 0.00 0.00 -1.51 0.00 0.00 54.79 50.97 3krn n ASP 101 Cb 0.41 -1.57 0.00 0.00 2.34 0.00 0.00 41.12 42.30 3krn n ASP 101 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3krn n GLY 102 N 4.55 0.66 2.80 0.27 0.00 -1.26 -4.34 105.19 107.86 3krn n GLY 102 Ca 0.50 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 3krn n GLY 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3krn n SER 103 N -3.37 -1.98 -0.28 1.61 3.41 -1.26 -4.77 113.62 106.98 3krn n SER 103 Ca 0.00 0.16 0.06 0.00 -0.26 0.00 0.00 58.87 58.83 3krn n SER 103 Cb 0.00 -1.77 0.29 0.00 -0.26 0.00 0.00 64.21 62.47 3krn n SER 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3krn h MET 104 N -0.20 0.88 0.33 4.33 -0.00 -1.92 -2.73 114.93 115.62 3krn h MET 104 Ca -0.17 -0.05 -0.02 0.00 -0.00 0.00 0.00 59.70 59.46 3krn h MET 104 Cb 1.12 -0.20 0.00 0.00 -0.00 0.00 0.00 31.60 32.52 3krn h MET 104 CO 0.22 0.58 -0.16 0.78 -0.00 0.00 0.00 176.91 178.34 3krn h GLY 105 N 0.91 -0.47 0.80 -3.00 0.00 -1.86 -0.82 103.07 98.64 3krn h GLY 105 Ca 0.40 0.17 0.02 0.00 0.00 0.00 0.00 47.33 47.91 3krn h GLY 105 CO -0.16 -0.17 -0.06 0.00 0.00 0.00 0.00 176.54 176.15 3krn h ALA 106 N 0.05 -0.04 -0.55 3.60 0.00 -1.69 -2.77 119.26 117.85 3krn h ALA 106 Ca -0.05 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3krn h ALA 106 Cb 0.42 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3krn h ALA 106 CO 0.07 -0.55 -0.02 0.28 0.00 0.00 0.00 179.25 179.04 3krn h VAL 107 N -0.10 1.27 0.00 0.00 2.07 -1.55 0.17 116.25 118.11 3krn h VAL 107 Ca 0.04 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.41 3krn h VAL 107 Cb 0.14 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3krn h VAL 107 CO -0.09 0.41 0.00 0.00 0.02 0.00 0.00 177.57 177.91 3krn h ALA 108 N 0.96 1.00 0.00 1.67 0.00 -0.96 -2.23 119.26 119.69 3krn h ALA 108 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 3krn h ALA 108 Cb 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3krn h ALA 108 CO 0.03 0.00 -1.73 1.51 0.00 0.00 0.00 179.25 179.06 3krn n ILE 109 N -2.55 0.73 0.05 0.00 3.06 -1.05 -3.90 119.36 115.70 3krn n ILE 109 Ca -0.02 -0.40 -0.11 0.00 -2.50 0.00 0.00 62.75 59.73 3krn n ILE 109 Cb 0.07 -0.80 -0.04 0.00 0.54 0.00 0.00 39.64 39.40 3krn n ILE 109 CO 0.00 0.00 0.00 0.78 -2.50 0.00 0.00 176.55 174.83 3krn h ASN 110 N 0.00 -0.57 0.72 9.51 2.35 0.17 -2.66 115.58 125.09 3krn h ASN 110 Ca -0.29 0.09 -0.14 0.00 -0.55 0.00 0.00 56.30 55.41 3krn h ASN 110 Cb 1.59 0.24 -0.02 0.00 0.05 0.00 0.00 38.32 40.18 3krn h ASN 110 CO -0.00 -0.26 -0.67 1.23 -1.65 0.00 0.00 177.43 176.09 3krn h GLY 111 N -0.30 0.00 1.89 2.83 0.00 -1.67 -2.65 103.07 103.17 3krn h GLY 111 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3krn h GLY 111 CO -0.20 0.00 0.03 0.00 0.00 0.00 0.00 176.54 176.37 3krn n ALA 112 N -2.40 0.96 0.02 3.60 0.00 -1.03 -0.43 120.51 121.24 3krn n ALA 112 Ca -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.46 3krn n ALA 112 Cb 0.67 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 19.00 3krn n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3krn h PHE 114 N 0.00 0.00 -0.57 0.00 -1.00 -0.85 -3.23 116.94 111.30 3krn h PHE 114 Ca -0.20 0.00 0.11 0.00 2.81 0.00 0.00 57.97 60.70 3krn h PHE 114 Cb 1.69 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 41.16 3krn h PHE 114 CO 0.00 0.89 -0.02 0.00 -1.61 0.00 0.00 178.31 177.57 3krn h ALA 115 N 1.11 0.52 -0.02 2.45 0.00 -1.43 0.93 119.26 122.82 3krn h ALA 115 Ca -0.20 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3krn h ALA 115 Cb 1.86 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.96 3krn h ALA 115 CO 0.08 -0.40 -0.08 1.47 0.00 0.00 0.00 179.25 180.33 3krn n LEU 116 N -5.28 1.81 0.22 0.00 -0.00 -1.26 -3.74 117.00 108.74 3krn n LEU 116 Ca 0.07 -0.59 0.08 0.00 -0.00 0.00 0.00 56.01 55.56 3krn n LEU 116 Cb 0.32 -0.02 0.48 0.00 -0.00 0.00 0.00 43.42 44.20 3krn n LEU 116 CO 0.12 0.31 0.80 0.25 -0.00 0.00 0.00 177.39 178.87 3krn h LEU 117 N 2.72 0.00 -0.09 1.47 7.12 -0.83 0.69 115.31 126.38 3krn h LEU 117 Ca 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.01 3krn h LEU 117 Cb 0.63 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.76 3krn h LEU 117 CO 0.00 0.27 0.06 -0.78 -0.13 0.00 0.00 178.44 177.86 3krn h ASP 118 N 0.00 0.11 -0.14 1.25 1.82 -1.61 -0.36 116.42 117.49 3krn h ASP 118 Ca -0.00 -0.05 0.04 0.00 -0.39 0.00 0.00 57.03 56.63 3krn h ASP 118 Cb 0.64 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 3krn h ASP 118 CO 0.04 0.13 0.10 -1.13 -1.61 0.00 0.00 179.24 176.77 3krn h ASN 119 N 0.09 0.01 -0.41 2.28 -1.24 -1.58 -3.47 115.58 111.26 3krn h ASN 119 Ca 0.03 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.04 3krn h ASN 119 Cb 0.04 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.09 3krn h ASN 119 CO -0.01 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.75 3krn n GLY 120 N -1.57 0.94 3.57 1.57 0.00 0.16 -4.98 105.19 104.88 3krn n GLY 120 Ca 0.00 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 3krn n GLY 120 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3krn n MET 121 N -0.61 1.44 -1.26 1.61 2.81 -1.23 -4.88 117.12 115.00 3krn n MET 121 Ca 0.00 0.25 -0.36 0.00 -1.81 0.00 0.00 57.70 55.78 3krn n MET 121 Cb 0.34 -3.26 0.07 0.00 -0.71 0.00 0.00 33.22 29.66 3krn n MET 121 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 3krn n PRO 122 N 8.85 0.31 -1.49 0.03 -0.02 -1.26 -4.74 135.00 136.68 3krn n PRO 122 Ca 0.35 0.15 -0.61 0.00 -2.02 0.00 0.00 63.50 61.36 3krn n PRO 122 Cb 0.47 -1.85 -0.10 0.00 -0.02 0.00 0.00 33.50 32.00 3krn n PRO 122 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3krn n PHE 123 N -2.39 1.52 0.03 6.00 -0.00 -1.26 -4.24 117.46 117.11 3krn n PHE 123 Ca 0.10 0.79 0.00 0.00 -0.00 0.00 0.00 57.45 58.34 3krn n PHE 123 Cb 0.50 -2.32 0.00 0.00 -0.00 0.00 0.00 39.48 37.65 3krn n PHE 123 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 3krn n GLU 124 N 6.25 0.00 -0.51 -4.13 4.07 -1.26 -4.96 120.64 120.10 3krn n GLU 124 Ca 0.42 0.00 0.06 0.00 -0.06 0.00 0.00 57.16 57.58 3krn n GLU 124 Cb 0.01 0.00 0.19 0.00 -0.06 0.00 0.00 31.44 31.58 3krn n GLU 124 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 3krn n THR 125 N -2.73 2.19 -0.09 6.31 -1.04 -1.26 -3.07 114.28 114.59 3krn n THR 125 Ca 0.00 -2.91 0.00 0.00 -2.04 0.00 0.00 64.05 59.10 3krn n THR 125 Cb 0.00 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.26 3krn n THR 125 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3krn n VAL 126 N -1.17 0.00 -3.90 12.58 0.24 -1.26 -5.01 118.33 119.81 3krn n VAL 126 Ca 0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.51 3krn n VAL 126 Cb 0.74 -0.36 0.01 0.00 -1.47 0.00 0.00 33.84 32.76 3krn n VAL 126 CO 0.00 0.00 0.00 2.22 -2.14 0.00 0.00 176.83 176.91 3krn n PHE 127 N -1.81 -0.73 0.00 6.34 1.16 -1.26 -4.51 117.46 116.65 3krn n PHE 127 Ca 0.00 -0.78 0.00 0.00 -1.87 0.00 0.00 57.45 54.80 3krn n PHE 127 Cb 0.00 0.37 0.00 0.00 -1.61 0.00 0.00 39.48 38.24 3krn n PHE 127 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3krn s GLY 129 N 0.00 1.54 -0.06 0.00 0.00 -1.26 -0.68 107.32 106.87 3krn s GLY 129 Ca 0.00 -1.72 -0.19 0.00 0.00 0.00 0.00 44.72 42.81 3krn s GLY 129 CO 0.00 -1.79 0.54 -1.34 0.00 0.00 0.00 173.10 170.51 3krn s VAL 130 N -2.93 5.05 -0.91 1.40 -7.23 0.08 -4.29 120.40 111.57 3krn s VAL 130 Ca 0.24 1.10 -0.01 0.00 -1.81 0.00 0.00 61.98 61.50 3krn s VAL 130 Cb -0.01 -3.87 0.25 0.00 0.56 0.00 0.00 36.38 33.31 3krn s VAL 130 CO 0.08 0.38 0.94 0.00 -0.31 0.00 0.00 175.10 176.19 3krn n LEU 131 N 3.14 4.66 -4.77 1.32 -0.00 -1.26 -0.65 117.00 119.44 3krn n LEU 131 Ca -0.07 -5.20 -0.40 0.00 -0.00 0.00 0.00 56.01 50.34 3krn n LEU 131 Cb 0.51 -1.09 -0.02 0.00 -0.00 0.00 0.00 43.42 42.83 3krn n LEU 131 CO 0.43 1.66 0.98 -0.51 -0.00 0.00 0.00 177.39 179.95 3krn s ILE 132 N -1.84 2.70 0.10 1.47 -1.16 -1.17 -4.75 121.20 116.54 3krn s ILE 132 Ca 0.31 0.70 0.08 0.00 -0.51 0.00 0.00 60.65 61.22 3krn s ILE 132 Cb -0.01 -3.44 -0.03 0.00 0.61 0.00 0.00 42.46 39.58 3krn s ILE 132 CO -0.06 0.16 -0.20 0.68 -2.81 0.00 0.00 174.94 172.71 3krn s VAL 133 N -1.16 1.61 -0.05 4.00 -7.23 -1.19 -1.74 120.40 114.64 3krn s VAL 133 Ca 0.50 -1.50 -0.22 0.00 -1.81 0.00 0.00 61.98 58.95 3krn s VAL 133 Cb -0.40 -1.48 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 3krn s VAL 133 CO 0.52 -0.08 0.65 -0.60 -0.31 0.00 0.00 175.10 175.28 3krn s ARG 134 N -1.87 4.40 -0.21 4.82 3.52 -1.26 -3.86 118.95 124.50 3krn s ARG 134 Ca 0.05 0.79 -0.00 0.00 -0.13 0.00 0.00 55.73 56.44 3krn s ARG 134 Cb -0.10 -3.42 0.05 0.00 -1.56 0.00 0.00 34.95 29.93 3krn s ARG 134 CO 0.04 0.16 -0.05 0.08 -0.81 0.00 0.00 175.30 174.72 3krn s VAL 135 N 0.50 1.31 0.00 7.11 1.01 -1.26 -1.96 120.40 127.11 3krn s VAL 135 Ca 0.34 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3krn s VAL 135 Cb -0.18 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.65 3krn s VAL 135 CO 0.17 -0.02 0.00 0.29 0.00 0.00 0.00 175.10 175.54 3krn n LYS 136 N 4.77 0.00 -3.98 2.72 4.76 -1.26 -4.38 118.16 120.79 3krn n LYS 136 Ca -0.12 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.03 3krn n LYS 136 Cb 0.46 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.60 3krn n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3krn s ASP 137 N -4.00 6.02 0.91 4.39 1.11 -1.26 -4.99 116.67 118.86 3krn s ASP 137 Ca 0.00 0.12 0.00 0.00 0.18 0.00 0.00 52.55 52.85 3krn s ASP 137 Cb 0.00 -1.75 0.00 0.00 1.07 0.00 0.00 42.92 42.24 3krn s ASP 137 CO 0.00 0.13 0.00 -0.62 1.18 0.00 0.00 175.17 175.86 3krn n GLU 138 N 0.02 0.00 -3.85 8.23 4.71 -1.26 -4.93 120.64 123.56 3krn n GLU 138 Ca -0.07 0.00 -0.11 0.00 -0.01 0.00 0.00 57.16 56.97 3krn n GLU 138 Cb 0.52 0.00 -0.09 0.00 -1.01 0.00 0.00 31.44 30.86 3krn n GLU 138 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3krn s LEU 139 N 0.00 1.40 -0.04 -4.62 1.98 -1.26 -4.24 118.68 111.90 3krn s LEU 139 Ca 0.00 -0.21 -0.01 0.00 -2.89 0.00 0.00 54.13 51.02 3krn s LEU 139 Cb 0.00 0.84 0.03 0.00 0.66 0.00 0.00 46.19 47.72 3krn s LEU 139 CO 0.00 -0.43 0.02 -0.51 -1.89 0.00 0.00 176.35 173.54 3krn s ILE 140 N -1.71 0.08 0.00 6.68 -1.16 -1.25 -4.64 121.20 119.20 3krn s ILE 140 Ca -0.12 0.22 0.00 0.00 -0.51 0.00 0.00 60.65 60.25 3krn s ILE 140 Cb -0.05 -0.25 0.00 0.00 0.61 0.00 0.00 42.46 42.77 3krn s ILE 140 CO 0.01 0.17 0.00 2.30 -2.81 0.00 0.00 174.94 174.60 3krn n ILE 141 N 4.71 0.00 -3.45 2.00 -5.35 -1.26 -3.19 119.36 112.82 3krn n ILE 141 Ca -0.16 0.48 -0.44 0.00 -0.27 0.00 0.00 62.75 62.37 3krn n ILE 141 Cb 0.50 -1.44 -0.05 0.00 -1.74 0.00 0.00 39.64 36.91 3krn n ILE 141 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3krn s ASP 142 N -2.97 6.23 0.00 7.28 -1.08 -1.25 -3.55 116.67 121.33 3krn s ASP 142 Ca 0.00 -2.58 0.00 0.00 -0.52 0.00 0.00 52.55 49.45 3krn s ASP 142 Cb 0.00 -2.10 0.00 0.00 -1.46 0.00 0.00 42.92 39.36 3krn s ASP 142 CO 0.00 -0.56 0.00 -0.81 0.52 0.00 0.00 175.17 174.32 3krn n PRO 143 N 4.04 0.72 -1.16 4.34 -0.04 -1.26 -4.28 135.00 137.36 3krn n PRO 143 Ca 0.08 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.54 3krn n PRO 143 Cb 0.43 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 3krn n PRO 143 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3krn n THR 144 N 0.00 0.00 -0.02 0.52 -1.04 -1.26 -4.85 114.28 107.63 3krn n THR 144 Ca 0.00 -0.01 -0.17 0.00 -2.04 0.00 0.00 64.05 61.83 3krn n THR 144 Cb 0.00 0.01 -0.08 0.00 -1.82 0.00 0.00 70.33 68.44 3krn n THR 144 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3krn h ALA 145 N 2.00 0.24 0.16 2.41 0.00 -1.95 -2.18 119.26 119.94 3krn h ALA 145 Ca -0.00 -0.55 -0.23 0.00 0.00 0.00 0.00 54.91 54.13 3krn h ALA 145 Cb 0.01 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.82 3krn h ALA 145 CO 0.00 0.51 -1.03 0.87 0.00 0.00 0.00 179.25 179.60 3krn h LYS 146 N 0.29 0.34 0.44 0.00 1.57 -1.96 -3.20 116.57 114.05 3krn h LYS 146 Ca -0.04 -0.58 -0.02 0.00 -1.87 0.00 0.00 60.65 58.14 3krn h LYS 146 Cb 1.27 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.80 3krn h LYS 146 CO 0.13 1.28 -0.21 1.96 -0.57 0.00 0.00 179.45 182.03 3krn h GLN 147 N -0.26 -0.57 -0.02 3.15 4.20 -1.92 -2.64 115.11 117.05 3krn h GLN 147 Ca -0.19 0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.57 3krn h GLN 147 Cb 1.76 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 29.67 3krn h GLN 147 CO 0.16 -0.28 0.13 1.49 -0.67 0.00 0.00 178.83 179.66 3krn h GLU 148 N -0.81 0.00 0.23 1.46 4.22 -1.57 -2.72 114.58 115.38 3krn h GLU 148 Ca -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.37 3krn h GLU 148 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3krn h GLU 148 CO 0.10 0.00 -0.11 0.00 -2.18 0.00 0.00 179.01 176.82 3krn h ALA 149 N 1.77 -0.56 0.00 2.92 0.00 -1.47 -3.26 119.26 118.66 3krn h ALA 149 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3krn h ALA 149 Cb 0.27 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3krn h ALA 149 CO -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 179.25 178.71 3krn n ALA 150 N -2.34 2.07 -1.77 0.00 0.00 -1.05 -4.80 120.51 112.61 3krn n ALA 150 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.03 3krn n ALA 150 Cb 0.12 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 3krn n ALA 150 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3krn s SER 151 N -0.36 6.24 -0.39 0.00 1.04 -1.06 -4.89 113.70 114.26 3krn s SER 151 Ca 0.00 2.36 0.05 0.00 0.48 0.00 0.00 55.95 58.84 3krn s SER 151 Cb 0.00 -2.61 0.32 0.00 0.10 0.00 0.00 66.02 63.83 3krn s SER 151 CO 0.00 -0.87 1.24 0.35 0.98 0.00 0.00 173.24 174.93 3krn n THR 152 N -0.31 0.00 0.00 2.02 -2.24 -0.83 -5.05 114.28 107.88 3krn n THR 152 Ca 0.06 -1.08 0.00 0.00 -2.27 0.00 0.00 64.05 60.77 3krn n THR 152 Cb 0.47 1.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.99 3krn n THR 152 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3krn n ARG 154 N 0.57 0.00 -4.00 -0.78 3.00 -1.26 -4.70 116.66 109.49 3krn n ARG 154 Ca 0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.62 3krn n ARG 154 Cb 0.72 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 33.15 3krn n ARG 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 3krn s VAL 155 N 0.00 5.02 -0.45 5.15 -7.23 -0.71 -2.83 120.40 119.36 3krn s VAL 155 Ca 0.00 -0.98 0.08 0.00 -1.81 0.00 0.00 61.98 59.27 3krn s VAL 155 Cb 0.00 -3.66 0.29 0.00 0.56 0.00 0.00 36.38 33.57 3krn s VAL 155 CO 0.00 -0.23 0.66 0.18 -0.31 0.00 0.00 175.10 175.40 3krn n LEU 156 N -0.95 1.40 -4.61 1.32 4.77 -1.26 -3.04 117.00 114.64 3krn n LEU 156 Ca -0.08 -5.01 -0.53 0.00 -0.03 0.00 0.00 56.01 50.37 3krn n LEU 156 Cb 0.56 0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 41.90 3krn n LEU 156 CO 0.45 2.16 1.55 0.49 -1.33 0.00 0.00 177.39 180.71 3krn n PHE 157 N 0.84 1.97 -4.97 -1.77 3.72 0.18 -4.29 117.46 113.14 3krn n PHE 157 Ca 0.25 0.29 -0.28 0.00 -0.05 0.00 0.00 57.45 57.65 3krn n PHE 157 Cb 0.53 -2.54 -0.16 0.00 -0.94 0.00 0.00 39.48 36.36 3krn n PHE 157 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3krn s SER 158 N 5.08 2.49 -0.09 4.37 0.15 -1.02 -0.74 113.70 123.93 3krn s SER 158 Ca 1.01 -0.42 -0.30 0.00 0.70 0.00 0.00 55.95 56.94 3krn s SER 158 Cb -0.89 -0.87 0.10 0.00 -1.71 0.00 0.00 66.02 62.65 3krn s SER 158 CO 0.56 0.15 0.84 0.54 1.20 0.00 0.00 173.24 176.53 3krn s VAL 159 N 0.17 0.00 -0.09 4.45 0.11 -1.26 -0.54 120.40 123.24 3krn s VAL 159 Ca -0.09 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.97 3krn s VAL 159 Cb -0.14 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.73 3krn s VAL 159 CO 0.04 0.00 -0.11 0.00 -3.33 0.00 0.00 175.10 171.70 3krn h LYS 161 N 7.47 -0.02 0.00 0.00 -0.00 -1.61 -3.37 116.57 119.04 3krn h LYS 161 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.34 3krn h LYS 161 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.40 3krn h LYS 161 CO 0.46 -0.01 0.00 0.41 -0.00 0.00 0.00 179.45 180.31 3krn n GLY 162 N -1.18 0.58 0.53 0.07 0.00 -1.18 -4.23 105.19 99.79 3krn n GLY 162 Ca 0.01 -1.00 -0.21 0.00 0.00 0.00 0.00 46.02 44.82 3krn n GLY 162 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3krn h SER 163 N 0.45 -1.15 -1.28 1.61 0.87 -1.89 -3.46 113.55 108.71 3krn h SER 163 Ca 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3krn h SER 163 Cb 0.00 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 3krn h SER 163 CO 0.00 -0.82 0.00 0.47 -0.53 0.00 0.00 176.83 175.95 3krn n ASP 164 N -5.65 1.39 -0.17 6.23 8.00 -1.26 -5.02 116.55 120.07 3krn n ASP 164 Ca -0.17 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.39 3krn n ASP 164 Cb 0.53 0.00 0.35 0.00 -0.02 0.00 0.00 41.12 41.98 3krn n ASP 164 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3krn h GLY 165 N 0.00 0.92 -1.89 0.44 0.00 -1.90 -3.45 103.07 97.19 3krn h GLY 165 Ca 0.00 -0.31 -0.53 0.00 0.00 0.00 0.00 47.33 46.49 3krn h GLY 165 CO 0.00 0.25 -0.41 1.42 0.00 0.00 0.00 176.54 177.79 3krn n HIS 166 N -4.47 -0.98 0.07 5.60 8.25 -1.26 -4.89 115.22 117.54 3krn n HIS 166 Ca 0.09 0.27 -0.16 0.00 -0.26 0.00 0.00 57.72 57.67 3krn n HIS 166 Cb 0.18 -1.84 -0.14 0.00 1.12 0.00 0.00 29.99 29.31 3krn n HIS 166 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3krn h PRO 167 N -1.47 0.24 -5.36 -0.41 0.11 -1.86 -3.37 132.00 119.89 3krn h PRO 167 Ca -0.44 -0.41 -0.00 0.00 0.11 0.00 0.00 66.00 65.26 3krn h PRO 167 Cb 1.29 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.55 3krn h PRO 167 CO 0.36 1.13 -0.98 -1.91 -0.21 0.00 0.00 178.00 176.39 3krn n GLU 168 N -3.46 -2.95 -1.67 1.05 0.00 -1.26 -2.23 120.64 110.12 3krn n GLU 168 Ca -0.13 2.45 -0.48 0.00 0.00 0.00 0.00 57.16 58.99 3krn n GLU 168 Cb 1.03 -4.69 -0.05 0.00 0.00 0.00 0.00 31.44 27.74 3krn n GLU 168 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 3krn n VAL 169 N 0.75 0.25 0.18 6.31 0.24 -1.26 -3.39 118.33 121.40 3krn n VAL 169 Ca 0.00 -0.04 0.08 0.00 -2.04 0.00 0.00 64.34 62.34 3krn n VAL 169 Cb 0.11 -1.58 -0.12 0.00 -1.47 0.00 0.00 33.84 30.78 3krn n VAL 169 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3krn s ALA 171 N -2.96 -1.75 0.11 0.00 0.00 0.30 -4.97 121.76 112.49 3krn s ALA 171 Ca -0.03 0.65 -0.24 0.00 0.00 0.00 0.00 51.96 52.34 3krn s ALA 171 Cb 0.11 0.52 0.07 0.00 0.00 0.00 0.00 23.12 23.81 3krn s ALA 171 CO 0.66 -0.83 0.60 0.00 0.00 0.00 0.00 175.76 176.19 3krn s MET 172 N -3.20 1.20 -0.34 0.00 0.23 -1.26 -2.44 119.30 113.49 3krn s MET 172 Ca 0.08 -0.32 0.16 0.00 -1.03 0.00 0.00 55.69 54.58 3krn s MET 172 Cb -0.01 0.56 0.45 0.00 -1.53 0.00 0.00 34.83 34.30 3krn s MET 172 CO -0.05 -0.49 0.97 -3.47 -2.03 0.00 0.00 175.02 169.95 3krn n ASP 173 N -0.05 1.99 -4.70 -1.18 2.03 -1.26 -4.96 116.55 108.42 3krn n ASP 173 Ca -0.17 -2.89 -0.42 0.00 0.52 0.00 0.00 54.79 51.82 3krn n ASP 173 Cb 0.63 -0.52 -0.00 0.00 -0.72 0.00 0.00 41.12 40.50 3krn n ASP 173 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3krn n ALA 174 N -0.13 1.37 -2.91 -1.67 0.00 -1.26 -4.53 120.51 111.39 3krn n ALA 174 Ca 0.14 0.35 -0.11 0.00 0.00 0.00 0.00 53.44 53.82 3krn n ALA 174 Cb 0.79 -2.27 -0.13 0.00 0.00 0.00 0.00 19.45 17.84 3krn n ALA 174 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3krn s ILE 175 N -1.11 0.02 0.00 0.00 -5.25 -1.13 -5.01 121.20 108.73 3krn s ILE 175 Ca 0.56 -0.20 0.00 0.00 -0.99 0.00 0.00 60.65 60.02 3krn s ILE 175 Cb -0.56 -0.09 0.00 0.00 2.95 0.00 0.00 42.46 44.77 3krn s ILE 175 CO 0.62 -0.11 0.00 0.61 -1.79 0.00 0.00 174.94 174.27 3krn n GLY 176 N 2.74 0.48 2.71 6.27 0.00 -1.26 -4.45 105.19 111.68 3krn n GLY 176 Ca -0.15 -1.39 -0.19 0.00 0.00 0.00 0.00 46.02 44.28 3krn n GLY 176 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3krn s HIS 177 N 0.00 -0.25 0.00 1.61 3.76 -1.26 -5.00 115.29 114.15 3krn s HIS 177 Ca 0.00 -0.50 0.00 0.00 -0.15 0.00 0.00 55.06 54.41 3krn s HIS 177 Cb 0.00 -0.54 0.00 0.00 1.11 0.00 0.00 32.58 33.15 3krn s HIS 177 CO 0.00 -0.91 0.00 0.91 -0.85 0.00 0.00 174.74 173.89 3krn n TRP 178 N 4.99 0.00 -4.61 1.40 7.02 -1.26 -4.99 117.44 120.00 3krn n TRP 178 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 3krn n TRP 178 Cb 0.45 0.20 0.00 0.00 -2.42 0.00 0.00 31.31 29.53 3krn n TRP 178 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3krn n ASP 179 N -2.23 -0.77 0.04 -0.99 2.03 -1.26 -3.99 116.55 109.38 3krn n ASP 179 Ca 0.00 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.23 3krn n ASP 179 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 3krn n ASP 179 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 3krn h PHE 180 N 0.00 -0.77 -0.91 -0.67 -1.00 -2.01 -3.08 116.94 108.50 3krn h PHE 180 Ca 0.00 0.02 0.18 0.00 2.81 0.00 0.00 57.97 60.98 3krn h PHE 180 Cb 0.00 0.33 -0.17 0.00 3.61 0.00 0.00 35.95 39.72 3krn h PHE 180 CO 0.00 -0.29 -0.24 -0.84 -1.61 0.00 0.00 178.31 175.33 3krn h ILE 181 N -0.35 0.08 -1.98 -0.55 3.07 -2.00 0.96 117.51 116.75 3krn h ILE 181 Ca 0.00 0.00 -0.76 0.00 1.55 0.00 0.00 64.86 65.65 3krn h ILE 181 Cb 0.36 0.08 -0.26 0.00 -0.27 0.00 0.00 36.82 36.74 3krn h ILE 181 CO -0.16 0.00 1.04 0.00 -1.05 0.00 0.00 178.15 177.98 3krn n GLN 182 N -5.57 3.32 0.00 0.16 1.13 -1.18 -3.95 117.38 111.29 3krn n GLN 182 Ca 0.14 -3.68 0.00 0.00 -1.94 0.00 0.00 57.00 51.51 3krn n GLN 182 Cb 0.45 -2.31 0.00 0.00 0.11 0.00 0.00 30.24 28.49 3krn n GLN 182 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3krn n LEU 183 N -0.31 0.00 0.17 1.08 7.94 0.73 -4.59 117.00 122.02 3krn n LEU 183 Ca 0.52 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 55.50 3krn n LEU 183 Cb 0.26 0.00 0.59 0.00 0.53 0.00 0.00 43.42 44.80 3krn n LEU 183 CO 0.50 0.00 1.10 1.05 -1.11 0.00 0.00 177.39 178.94 3krn h GLU 184 N 0.00 0.14 -0.65 1.96 4.11 0.61 0.21 114.58 120.97 3krn h GLU 184 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 3krn h GLU 184 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3krn h GLU 184 CO 0.00 0.09 0.00 0.00 0.07 0.00 0.00 179.01 179.17 3krn n ALA 185 N -2.53 3.00 -0.08 1.06 0.00 -1.25 -3.93 120.51 116.78 3krn n ALA 185 Ca -0.00 -1.59 -0.12 0.00 0.00 0.00 0.00 53.44 51.74 3krn n ALA 185 Cb 0.13 -0.99 -0.08 0.00 0.00 0.00 0.00 19.45 18.52 3krn n ALA 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3krn n ALA 186 N 1.14 1.66 -0.04 0.00 0.00 0.49 -4.13 120.51 119.63 3krn n ALA 186 Ca 0.25 -0.70 0.13 0.00 0.00 0.00 0.00 53.44 53.13 3krn n ALA 186 Cb 0.86 0.13 0.55 0.00 0.00 0.00 0.00 19.45 20.99 3krn n ALA 186 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3krn h TRP 187 N -0.03 0.32 0.00 0.00 7.01 -1.01 -1.11 115.95 121.13 3krn h TRP 187 Ca -0.37 0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.64 3krn h TRP 187 Cb 1.56 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 28.52 3krn h TRP 187 CO 0.02 0.15 0.00 -1.13 -2.79 0.00 0.00 178.44 174.69 3krn n SER 188 N -4.46 0.00 -0.22 2.65 3.41 -1.25 -2.78 113.62 110.97 3krn n SER 188 Ca 0.09 0.91 -0.03 0.00 -0.26 0.00 0.00 58.87 59.58 3krn n SER 188 Cb 0.39 -0.41 0.08 0.00 -0.26 0.00 0.00 64.21 64.00 3krn n SER 188 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3krn h LEU 189 N 0.00 0.57 0.00 1.04 -0.00 -1.68 0.83 115.31 116.07 3krn h LEU 189 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 3krn h LEU 189 Cb 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.56 3krn h LEU 189 CO 0.00 0.38 0.01 0.00 -0.00 0.00 0.00 178.44 178.83 3krn n ALA 190 N -2.32 1.10 -0.06 1.53 0.00 -0.43 -2.28 120.51 118.05 3krn n ALA 190 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.46 3krn n ALA 190 Cb 0.13 -0.76 -0.02 0.00 0.00 0.00 0.00 19.45 18.80 3krn n ALA 190 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3krn n GLN 191 N -0.92 0.37 -0.04 0.00 -0.06 0.29 -3.95 117.38 113.06 3krn n GLN 191 Ca 0.00 0.30 -0.12 0.00 -2.00 0.00 0.00 57.00 55.18 3krn n GLN 191 Cb 0.01 -1.32 -0.06 0.00 -4.06 0.00 0.00 30.24 24.81 3krn n GLN 191 CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 3krn h PRO 192 N -0.75 0.24 0.00 3.69 0.11 -1.49 0.02 132.00 133.81 3krn h PRO 192 Ca 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3krn h PRO 192 Cb 0.58 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3krn h PRO 192 CO 0.00 0.44 0.00 0.45 -0.21 0.00 0.00 178.00 178.68 3krn n SER 193 N -4.79 0.00 -0.11 -2.05 2.88 -1.15 -1.46 113.62 106.94 3krn n SER 193 Ca -0.05 0.42 -0.19 0.00 -1.33 0.00 0.00 58.87 57.72 3krn n SER 193 Cb 0.19 -0.45 -0.08 0.00 -0.75 0.00 0.00 64.21 63.12 3krn n SER 193 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3krn n ALA 194 N -1.45 0.85 0.11 -1.46 0.00 -0.77 -3.24 120.51 114.55 3krn n ALA 194 Ca 0.03 -0.69 0.19 0.00 0.00 0.00 0.00 53.44 52.96 3krn n ALA 194 Cb 0.10 -0.17 0.76 0.00 0.00 0.00 0.00 19.45 20.14 3krn n ALA 194 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3krn h SER 195 N -1.00 0.00 0.24 0.00 0.02 -0.86 -0.90 113.55 111.06 3krn h SER 195 Ca -0.34 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.60 3krn h SER 195 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3krn h SER 195 CO -0.20 0.00 -0.11 0.00 -1.14 0.00 0.00 176.83 175.37 3krn h ALA 196 N 1.66 -0.32 -0.84 3.77 0.00 -1.41 -3.22 119.26 118.91 3krn h ALA 196 Ca 0.17 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3krn h ALA 196 Cb 0.83 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 3krn h ALA 196 CO -0.00 -0.45 0.56 0.97 0.00 0.00 0.00 179.25 180.33 3krn h ILE 197 N -0.79 1.17 -0.76 0.00 2.10 -1.24 -1.31 117.51 116.68 3krn h ILE 197 Ca -0.03 -0.37 0.18 0.00 1.08 0.00 0.00 64.86 65.71 3krn h ILE 197 Cb 0.51 -0.01 -0.12 0.00 -1.09 0.00 0.00 36.82 36.10 3krn h ILE 197 CO 0.05 0.20 0.10 -0.26 -1.08 0.00 0.00 178.15 177.17 3krn h PHE 198 N 1.08 0.13 -0.93 2.19 0.05 -1.27 0.72 116.94 118.91 3krn h PHE 198 Ca 0.33 0.05 0.11 0.00 3.82 0.00 0.00 57.97 62.27 3krn h PHE 198 Cb -0.03 0.06 -0.08 0.00 2.00 0.00 0.00 35.95 37.90 3krn h PHE 198 CO -0.00 -0.18 0.57 -0.44 -0.18 0.00 0.00 178.31 178.08 3krn h ASP 199 N 0.18 0.83 -0.53 2.17 3.45 -1.24 -0.68 116.42 120.60 3krn h ASP 199 Ca 0.43 0.05 0.05 0.00 0.43 0.00 0.00 57.03 57.99 3krn h ASP 199 Cb 0.78 -0.12 -0.03 0.00 -0.56 0.00 0.00 39.33 39.40 3krn h ASP 199 CO -0.60 0.46 0.35 0.15 -1.57 0.00 0.00 179.24 178.02 3krn h PHE 200 N 0.92 0.53 -0.27 4.55 3.57 -0.83 0.43 116.94 125.83 3krn h PHE 200 Ca 0.45 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.97 3krn h PHE 200 Cb 0.42 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3krn h PHE 200 CO -0.03 0.30 0.17 1.88 -2.23 0.00 0.00 178.31 178.40 3krn h TYR 201 N 0.54 0.36 -0.46 0.41 -1.99 -0.98 0.14 116.97 114.99 3krn h TYR 201 Ca 0.22 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.97 3krn h TYR 201 Cb 0.19 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 38.78 3krn h TYR 201 CO -0.00 0.25 0.31 0.87 -0.00 0.00 0.00 178.16 179.59 3krn h LYS 202 N 0.36 0.57 0.00 4.88 1.57 -0.65 -0.34 116.57 122.95 3krn h LYS 202 Ca 0.10 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 3krn h LYS 202 Cb -0.01 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3krn h LYS 202 CO -0.02 0.37 -0.26 1.79 -0.57 0.00 0.00 179.45 180.77 3krn h THR 203 N 0.58 0.63 0.08 -0.16 1.35 0.14 -0.57 112.91 114.96 3krn h THR 203 Ca 0.18 -1.20 -0.31 0.00 -0.55 0.00 0.00 66.41 64.52 3krn h THR 203 Cb -0.00 1.80 -0.02 0.00 -1.73 0.00 0.00 68.15 68.19 3krn h THR 203 CO -0.04 0.25 -1.70 0.58 -0.25 0.00 0.00 175.52 174.36 3krn h VAL 204 N 0.00 0.93 0.00 6.82 2.07 0.06 -3.06 116.25 123.08 3krn h VAL 204 Ca -0.00 -2.66 -0.00 0.00 0.82 0.00 0.00 66.70 64.85 3krn h VAL 204 Cb 0.78 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 3krn h VAL 204 CO 0.03 0.74 -0.00 -0.03 0.02 0.00 0.00 177.57 178.33 3krn h MET 205 N 0.05 -0.00 -0.36 1.57 -1.53 -0.96 -2.67 114.93 111.02 3krn h MET 205 Ca -0.30 0.00 0.11 0.00 -3.44 0.00 0.00 59.70 56.07 3krn h MET 205 Cb 2.01 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 33.05 3krn h MET 205 CO 0.11 0.33 0.29 0.87 0.14 0.00 0.00 176.91 178.65 3krn h LYS 206 N -0.33 0.00 0.20 0.39 1.57 -1.25 0.20 116.57 117.35 3krn h LYS 206 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3krn h LYS 206 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3krn h LYS 206 CO 0.00 0.00 -0.17 0.00 -0.57 0.00 0.00 179.45 178.71 3krn h ARG 207 N 0.00 -0.34 -0.00 3.15 2.47 -1.36 -3.24 114.38 115.06 3krn h ARG 207 Ca 0.17 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 3krn h ARG 207 Cb 0.74 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.14 3krn h ARG 207 CO -0.00 -0.23 -0.37 1.63 0.56 0.00 0.00 179.97 181.56 3krn n LYS 208 N -3.32 0.20 0.00 0.04 5.02 -1.12 -2.92 118.16 116.06 3krn n LYS 208 Ca -0.04 -0.10 0.06 0.00 -2.02 0.00 0.00 58.31 56.21 3krn n LYS 208 Cb 0.16 -1.50 0.33 0.00 -0.02 0.00 0.00 35.03 34.00 3krn n LYS 208 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3krn n LEU 209 N -1.31 0.00 -0.03 -0.35 4.77 0.04 -1.42 117.00 118.70 3krn n LEU 209 Ca 0.08 0.26 -0.07 0.00 -0.03 0.00 0.00 56.01 56.25 3krn n LEU 209 Cb 0.33 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 3krn n LEU 209 CO 0.32 -0.15 -0.49 -1.20 -1.33 0.00 0.00 177.39 174.54 3krn n SER 210 N -1.26 1.32 0.23 -1.43 7.64 -1.15 -4.64 113.62 114.34 3krn n SER 210 Ca 0.07 0.21 0.16 0.00 1.01 0.00 0.00 58.87 60.31 3krn n SER 210 Cb 0.10 -0.48 0.82 0.00 -1.01 0.00 0.00 64.21 63.64 3krn n SER 210 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 3krn h VAL 211 N -0.46 0.00 0.00 0.44 -1.51 -1.57 -3.53 116.25 109.63 3krn h VAL 211 Ca -0.09 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 3krn h VAL 211 Cb 0.69 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 30.66 3krn h VAL 211 CO -0.06 0.00 0.00 -0.67 -1.23 0.00 0.00 177.57 175.61