#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krr s THR 2 N 0.00 4.50 0.09 2.61 2.01 -1.26 -4.93 115.64 118.66 2krr s THR 2 Ca 0.00 -0.72 -0.34 0.00 0.31 0.00 0.00 61.69 60.94 2krr s THR 2 Cb 0.00 -4.67 -0.15 0.00 0.01 0.00 0.00 72.50 67.69 2krr s THR 2 CO 0.00 -1.41 1.54 -0.33 -0.69 0.00 0.00 174.62 173.73 2krr h GLU 3 N 9.35 -0.80 -7.11 4.92 3.07 -2.07 -3.42 114.58 118.52 2krr h GLU 3 Ca -0.20 0.05 -0.50 0.00 -0.50 0.00 0.00 59.36 58.21 2krr h GLU 3 Cb 1.06 0.18 0.08 0.00 -0.84 0.00 0.00 28.75 29.24 2krr h GLU 3 CO 1.15 -0.54 0.42 -1.25 -1.40 0.00 0.00 179.01 177.40 2krr s PRO 4 N -5.71 3.23 -0.22 2.33 0.04 -1.26 -5.00 135.00 128.42 2krr s PRO 4 Ca -0.16 1.56 -0.08 0.00 0.04 0.00 0.00 61.00 62.36 2krr s PRO 4 Cb 0.05 -1.99 -0.19 0.00 0.04 0.00 0.00 34.50 32.41 2krr s PRO 4 CO 0.59 -0.94 -0.02 0.25 0.04 0.00 0.00 177.00 176.91 2krr n THR 5 N -1.56 1.59 -4.56 1.26 -2.24 -1.26 -5.02 114.28 102.49 2krr n THR 5 Ca 0.11 -0.47 -0.29 0.00 -2.27 0.00 0.00 64.05 61.13 2krr n THR 5 Cb 0.51 -1.71 -0.09 0.00 -2.10 0.00 0.00 70.33 66.95 2krr n THR 5 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2krr s THR 6 N -2.50 1.71 -1.18 4.28 -4.23 -1.26 -5.03 115.64 107.42 2krr s THR 6 Ca -0.31 -1.93 0.28 0.00 -1.18 0.00 0.00 61.69 58.55 2krr s THR 6 Cb 0.09 -2.63 0.26 0.00 1.34 0.00 0.00 72.50 71.56 2krr s THR 6 CO 0.62 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 176.51 2krr n ALA 7 N -1.17 2.72 -2.77 3.99 0.00 -1.26 -4.69 120.51 117.34 2krr n ALA 7 Ca -0.10 -0.20 -0.44 0.00 0.00 0.00 0.00 53.44 52.71 2krr n ALA 7 Cb 0.66 -1.36 -0.06 0.00 0.00 0.00 0.00 19.45 18.70 2krr n ALA 7 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2krr s PHE 8 N -2.84 2.97 0.06 0.00 0.08 -1.26 -5.01 117.98 111.97 2krr s PHE 8 Ca 0.18 -0.45 -0.14 0.00 0.12 0.00 0.00 56.93 56.64 2krr s PHE 8 Cb 0.19 -3.73 0.02 0.00 -0.57 0.00 0.00 43.02 38.93 2krr s PHE 8 CO 0.55 -1.15 0.31 -0.80 -0.10 0.00 0.00 175.22 174.03 2krr s ASN 9 N 2.84 -0.12 0.04 1.36 -0.87 -1.26 -1.47 114.94 115.46 2krr s ASN 9 Ca 0.19 -0.24 0.00 0.00 -1.57 0.00 0.00 52.86 51.24 2krr s ASN 9 Cb -0.18 0.37 -0.03 0.00 -0.02 0.00 0.00 41.25 41.39 2krr s ASN 9 CO 0.13 -0.66 -0.04 -1.48 -2.57 0.00 0.00 177.10 172.48 2krr s LEU 10 N -2.22 2.36 -0.27 0.60 0.05 -0.55 -4.85 118.68 113.81 2krr s LEU 10 Ca -0.03 -0.74 -0.23 0.00 0.05 0.00 0.00 54.13 53.18 2krr s LEU 10 Cb 0.00 0.08 -0.01 0.00 -2.05 0.00 0.00 46.19 44.22 2krr s LEU 10 CO -0.05 -0.42 0.74 0.12 -0.55 0.00 0.00 176.35 176.20 2krr s PHE 11 N -2.58 3.26 0.28 3.48 2.19 0.59 -1.58 117.98 123.62 2krr s PHE 11 Ca -0.04 0.90 0.08 0.00 0.33 0.00 0.00 56.93 58.21 2krr s PHE 11 Cb -0.02 -3.03 -0.04 0.00 -1.31 0.00 0.00 43.02 38.63 2krr s PHE 11 CO -0.05 -0.43 0.10 0.14 1.83 0.00 0.00 175.22 176.82 2krr s VAL 12 N 2.75 3.71 0.36 3.12 -7.23 0.63 0.10 120.40 123.84 2krr s VAL 12 Ca 0.31 -1.68 -0.04 0.00 -1.81 0.00 0.00 61.98 58.75 2krr s VAL 12 Cb -0.15 -3.07 0.02 0.00 0.56 0.00 0.00 36.38 33.74 2krr s VAL 12 CO 0.09 -0.32 0.54 0.61 -0.31 0.00 0.00 175.10 175.71 2krr n GLY 13 N -1.06 1.89 3.62 2.32 0.00 0.15 -1.23 105.19 110.88 2krr n GLY 13 Ca -0.06 -1.54 -0.26 0.00 0.00 0.00 0.00 46.02 44.16 2krr n GLY 13 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2krr n ASN 14 N -1.60 -4.43 -1.21 1.61 5.15 0.14 -0.22 115.26 114.69 2krr n ASN 14 Ca -0.01 -0.92 0.11 0.00 -0.60 0.00 0.00 54.58 53.16 2krr n ASN 14 Cb 0.58 -3.84 0.27 0.00 -0.53 0.00 0.00 39.78 36.27 2krr n ASN 14 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2krr n LEU 15 N -4.04 3.69 -1.32 1.20 4.77 -0.44 -3.33 117.00 117.53 2krr n LEU 15 Ca -0.14 -1.85 0.00 0.00 -0.03 0.00 0.00 56.01 53.99 2krr n LEU 15 Cb 0.62 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2krr n LEU 15 CO 0.66 0.89 -0.34 -3.20 -1.33 0.00 0.00 177.39 174.07 2krr n ASN 16 N 1.48 -7.30 -3.70 -1.43 5.15 -1.25 -4.87 115.26 103.34 2krr n ASN 16 Ca 0.22 0.96 -0.34 0.00 -0.60 0.00 0.00 54.58 54.81 2krr n ASN 16 Cb 0.59 -3.34 -0.04 0.00 -0.53 0.00 0.00 39.78 36.47 2krr n ASN 16 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 2krr n PHE 17 N 0.12 3.02 0.00 1.20 -1.74 -1.17 -4.51 117.46 114.38 2krr n PHE 17 Ca 0.00 -3.43 0.00 0.00 -0.56 0.00 0.00 57.45 53.46 2krr n PHE 17 Cb 0.00 -0.89 0.00 0.00 1.52 0.00 0.00 39.48 40.11 2krr n PHE 17 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 2krr n ASN 18 N 1.08 1.38 -3.62 5.98 3.02 -1.26 -5.04 115.26 116.80 2krr n ASN 18 Ca 0.28 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.64 2krr n ASN 18 Cb 0.37 0.01 0.12 0.00 -0.61 0.00 0.00 39.78 39.67 2krr n ASN 18 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2krr n LYS 19 N -1.77 -0.44 -1.30 3.52 4.76 -1.26 -5.07 118.16 116.60 2krr n LYS 19 Ca 0.00 -1.74 -0.30 0.00 -2.87 0.00 0.00 58.31 53.40 2krr n LYS 19 Cb 0.17 -0.75 0.11 0.00 -1.84 0.00 0.00 35.03 32.72 2krr n LYS 19 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2krr s SER 20 N -4.27 4.04 0.07 4.39 0.01 -1.26 -4.93 113.70 111.75 2krr s SER 20 Ca 0.52 1.56 -0.35 0.00 1.31 0.00 0.00 55.95 58.98 2krr s SER 20 Cb -0.02 -2.26 -0.19 0.00 0.21 0.00 0.00 66.02 63.75 2krr s SER 20 CO 0.35 -2.29 1.60 0.00 0.41 0.00 0.00 173.24 173.31 2krr h ALA 21 N -1.31 -1.12 0.00 1.44 0.00 -1.97 -2.47 119.26 113.84 2krr h ALA 21 Ca -0.47 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2krr h ALA 21 Cb 1.26 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2krr h ALA 21 CO 0.55 -1.14 0.00 -0.35 0.00 0.00 0.00 179.25 178.31 2krr n PRO 22 N -5.58 0.09 0.14 0.00 -0.04 -1.26 -2.15 135.00 126.21 2krr n PRO 22 Ca -0.15 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 2krr n PRO 22 Cb 0.45 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.58 2krr n PRO 22 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2krr h GLU 23 N 0.00 0.00 0.10 0.54 3.07 -1.81 -3.30 114.58 113.17 2krr h GLU 23 Ca 0.00 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.58 2krr h GLU 23 Cb 0.20 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 2krr h GLU 23 CO 0.00 0.00 -1.37 -0.07 -1.40 0.00 0.00 179.01 176.17 2krr h LEU 24 N 0.00 0.32 -0.49 1.33 4.07 -1.25 -3.34 115.31 115.94 2krr h LEU 24 Ca 0.00 -0.40 0.05 0.00 0.08 0.00 0.00 57.88 57.62 2krr h LEU 24 Cb 0.91 -0.10 -0.05 0.00 1.08 0.00 0.00 40.66 42.50 2krr h LEU 24 CO 0.00 1.32 0.23 0.11 -1.08 0.00 0.00 178.44 179.02 2krr h LYS 25 N 0.06 0.43 0.19 1.13 1.57 -1.66 -1.57 116.57 116.72 2krr h LYS 25 Ca -0.18 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2krr h LYS 25 Cb 1.97 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 34.14 2krr h LYS 25 CO 0.16 0.28 -0.43 1.15 -0.57 0.00 0.00 179.45 180.05 2krr h THR 26 N 0.44 0.00 -0.31 -0.16 2.02 -1.69 -0.24 112.91 112.97 2krr h THR 26 Ca 0.22 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.47 2krr h THR 26 Cb 0.17 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.51 2krr h THR 26 CO -0.18 0.00 -0.13 1.23 0.37 0.00 0.00 175.52 176.81 2krr h GLY 27 N -0.68 0.13 0.12 2.16 0.00 -1.65 0.34 103.07 103.49 2krr h GLY 27 Ca -0.02 0.17 0.09 0.00 0.00 0.00 0.00 47.33 47.57 2krr h GLY 27 CO -0.19 -0.15 -0.10 -2.22 0.00 0.00 0.00 176.54 173.88 2krr h ILE 28 N -0.08 0.56 0.00 2.60 2.04 -1.02 0.20 117.51 121.81 2krr h ILE 28 Ca 0.16 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.01 2krr h ILE 28 Cb 0.32 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2krr h ILE 28 CO -0.36 0.00 0.00 0.77 0.00 0.00 0.00 178.15 178.56 2krr h SER 29 N 0.01 0.00 0.45 1.72 4.64 -0.42 -3.20 113.55 116.76 2krr h SER 29 Ca 0.22 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.51 2krr h SER 29 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2krr h SER 29 CO -0.45 0.00 -0.22 -0.78 -0.87 0.00 0.00 176.83 174.51 2krr h ASP 30 N 0.00 -0.51 -0.79 4.97 1.82 0.27 -2.69 116.42 119.49 2krr h ASP 30 Ca 0.00 0.02 0.18 0.00 -0.39 0.00 0.00 57.03 56.84 2krr h ASP 30 Cb 0.62 0.13 -0.12 0.00 0.68 0.00 0.00 39.33 40.64 2krr h ASP 30 CO 0.00 -0.10 0.22 1.62 -1.61 0.00 0.00 179.24 179.37 2krr h VAL 31 N -1.13 0.47 -0.78 2.25 3.04 -1.25 0.24 116.25 119.10 2krr h VAL 31 Ca -0.06 -0.10 0.01 0.00 -1.01 0.00 0.00 66.70 65.54 2krr h VAL 31 Cb 0.46 0.17 -0.04 0.00 -2.01 0.00 0.00 31.29 29.87 2krr h VAL 31 CO 0.10 0.05 0.51 -0.26 -1.01 0.00 0.00 177.57 176.97 2krr h PHE 32 N 0.28 0.98 0.00 3.17 0.04 -1.62 -1.17 116.94 118.62 2krr h PHE 32 Ca 0.46 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.25 2krr h PHE 32 Cb 0.82 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 38.64 2krr h PHE 32 CO -0.25 0.62 -0.02 0.00 -0.60 0.00 0.00 178.31 178.06 2krr h ALA 33 N 1.51 1.69 0.00 2.45 0.00 -0.17 -0.07 119.26 124.67 2krr h ALA 33 Ca 0.28 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2krr h ALA 33 Cb -0.12 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2krr h ALA 33 CO -0.06 0.03 -0.34 1.57 0.00 0.00 0.00 179.25 180.45 2krr h LYS 34 N 0.00 0.00 -0.79 0.00 2.10 -0.92 -3.05 116.57 113.91 2krr h LYS 34 Ca -0.00 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.50 2krr h LYS 34 Cb 0.05 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.30 2krr h LYS 34 CO 0.00 0.34 0.19 0.09 -2.00 0.00 0.00 179.45 178.07 2krr n ASN 35 N -3.31 4.30 -1.88 7.07 3.02 -0.20 -4.86 115.26 119.39 2krr n ASN 35 Ca 0.01 -2.92 -0.17 0.00 -0.03 0.00 0.00 54.58 51.48 2krr n ASN 35 Cb 0.58 -0.69 -0.01 0.00 -0.61 0.00 0.00 39.78 39.05 2krr n ASN 35 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2krr n ASP 36 N 0.03 -4.97 -4.60 6.41 2.03 -1.15 -4.99 116.55 109.31 2krr n ASP 36 Ca 0.31 0.01 -0.34 0.00 0.52 0.00 0.00 54.79 55.28 2krr n ASP 36 Cb 1.15 -4.06 -0.11 0.00 -0.72 0.00 0.00 41.12 37.38 2krr n ASP 36 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2krr s LEU 37 N -4.78 3.32 -0.17 -2.67 1.43 -0.25 -5.01 118.68 110.54 2krr s LEU 37 Ca 0.00 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 2krr s LEU 37 Cb 0.00 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.48 2krr s LEU 37 CO 0.00 0.33 -0.16 0.00 0.23 0.00 0.00 176.35 176.74 2krr s ALA 38 N -0.58 2.45 0.07 4.21 0.00 -1.26 -3.13 121.76 123.52 2krr s ALA 38 Ca 0.09 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 50.94 2krr s ALA 38 Cb -0.12 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 2krr s ALA 38 CO 0.02 -0.19 0.12 0.14 0.00 0.00 0.00 175.76 175.85 2krr s VAL 39 N 1.05 4.80 -0.20 0.00 -7.23 -1.26 -2.94 120.40 114.62 2krr s VAL 39 Ca -0.01 -0.64 0.10 0.00 -1.81 0.00 0.00 61.98 59.62 2krr s VAL 39 Cb -0.14 -3.32 -0.22 0.00 0.56 0.00 0.00 36.38 33.26 2krr s VAL 39 CO -0.05 0.14 0.03 1.33 -0.31 0.00 0.00 175.10 176.23 2krr n VAL 40 N 0.42 1.47 -3.60 1.32 0.24 -0.13 -4.80 118.33 113.26 2krr n VAL 40 Ca -0.08 -0.73 -0.13 0.00 -2.04 0.00 0.00 64.34 61.36 2krr n VAL 40 Cb 0.51 -0.96 -0.06 0.00 -1.47 0.00 0.00 33.84 31.86 2krr n VAL 40 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2krr s ASP 41 N -6.04 -0.58 -0.01 -1.34 2.15 -1.24 -5.04 116.67 104.58 2krr s ASP 41 Ca -0.20 0.94 0.06 0.00 0.43 0.00 0.00 52.55 53.78 2krr s ASP 41 Cb 0.07 0.88 -0.02 0.00 -0.30 0.00 0.00 42.92 43.56 2krr s ASP 41 CO 0.74 -0.32 -0.20 -0.69 -0.17 0.00 0.00 175.17 174.52 2krr s VAL 42 N -0.29 1.60 0.03 1.11 1.01 -1.26 -0.55 120.40 122.05 2krr s VAL 42 Ca -0.02 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.14 2krr s VAL 42 Cb -0.03 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 2krr s VAL 42 CO 0.01 0.42 -0.23 -0.60 0.00 0.00 0.00 175.10 174.70 2krr s ARG 43 N -0.56 1.64 -0.05 2.72 3.52 -0.04 -4.94 118.95 121.24 2krr s ARG 43 Ca 0.08 -0.99 0.04 0.00 -0.13 0.00 0.00 55.73 54.72 2krr s ARG 43 Cb -0.08 -1.75 0.00 0.00 -1.56 0.00 0.00 34.95 31.56 2krr s ARG 43 CO -0.00 0.46 -0.16 0.42 -0.81 0.00 0.00 175.30 175.20 2krr s ILE 44 N -0.75 1.36 0.56 4.11 1.09 -1.26 0.03 121.20 126.33 2krr s ILE 44 Ca 0.09 -0.65 -0.09 0.00 -1.10 0.00 0.00 60.65 58.90 2krr s ILE 44 Cb -0.09 -1.19 0.14 0.00 -1.06 0.00 0.00 42.46 40.26 2krr s ILE 44 CO 0.01 0.40 0.32 0.61 -0.10 0.00 0.00 174.94 176.18 2krr n GLY 45 N 3.39 -3.59 0.07 6.18 0.00 0.11 -4.88 105.19 106.47 2krr n GLY 45 Ca -0.20 -1.17 -0.08 0.00 0.00 0.00 0.00 46.02 44.57 2krr n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2krr h MET 46 N 0.00 0.03 0.00 1.61 -0.00 -2.01 -3.20 114.93 111.37 2krr h MET 46 Ca -0.15 -0.06 0.00 0.00 -0.00 0.00 0.00 59.70 59.50 2krr h MET 46 Cb 0.49 0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.11 2krr h MET 46 CO 0.09 0.98 0.00 -2.37 -0.00 0.00 0.00 176.91 175.61 2krr n THR 47 N -3.34 0.34 -1.88 -0.10 5.66 -1.26 -4.87 114.28 108.82 2krr n THR 47 Ca -0.03 0.09 -0.19 0.00 -3.05 0.00 0.00 64.05 60.87 2krr n THR 47 Cb 0.96 -0.68 -0.05 0.00 -1.55 0.00 0.00 70.33 69.01 2krr n THR 47 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2krr n ARG 48 N -1.44 -1.57 -0.00 1.09 3.00 -1.21 -4.66 116.66 111.87 2krr n ARG 48 Ca 0.07 1.04 0.04 0.00 -0.01 0.00 0.00 57.85 59.00 2krr n ARG 48 Cb 0.25 -5.51 -0.06 0.00 0.00 0.00 0.00 32.46 27.15 2krr n ARG 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2krr n LYS 49 N -2.53 2.99 -3.93 5.56 0.00 -1.26 -3.05 118.16 115.94 2krr n LYS 49 Ca -0.20 -0.02 -0.11 0.00 0.00 0.00 0.00 58.31 57.97 2krr n LYS 49 Cb 0.64 -1.01 -0.01 0.00 0.00 0.00 0.00 35.03 34.65 2krr n LYS 49 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 2krr s PHE 50 N -2.08 0.52 -1.60 5.64 -0.71 -1.26 0.25 117.98 118.74 2krr s PHE 50 Ca 0.02 -0.99 0.00 0.00 -1.04 0.00 0.00 56.93 54.92 2krr s PHE 50 Cb 0.07 0.42 0.00 0.00 -1.21 0.00 0.00 43.02 42.30 2krr s PHE 50 CO 0.38 -1.36 0.00 0.41 -1.34 0.00 0.00 175.22 173.31 2krr n GLY 51 N -0.54 -0.66 3.14 1.99 0.00 -0.36 0.05 105.19 108.81 2krr n GLY 51 Ca -0.04 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 2krr n GLY 51 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2krr s TYR 52 N -3.67 0.77 -0.05 1.61 1.51 0.10 -0.27 117.35 117.36 2krr s TYR 52 Ca 0.00 -0.94 0.01 0.00 -1.01 0.00 0.00 57.07 55.13 2krr s TYR 52 Cb 0.00 -0.47 0.02 0.00 -0.11 0.00 0.00 41.96 41.40 2krr s TYR 52 CO 0.00 -0.21 -0.04 0.08 -1.11 0.00 0.00 175.55 174.27 2krr s VAL 53 N -3.59 0.52 -0.07 0.71 1.01 -0.61 -0.86 120.40 117.52 2krr s VAL 53 Ca 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 2krr s VAL 53 Cb 0.05 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 2krr s VAL 53 CO -0.06 0.23 0.04 -1.81 0.00 0.00 0.00 175.10 173.50 2krr s ASP 54 N 1.01 5.53 0.17 3.32 1.01 0.29 -1.48 116.67 126.51 2krr s ASP 54 Ca -0.10 0.19 0.11 0.00 0.71 0.00 0.00 52.55 53.47 2krr s ASP 54 Cb -0.14 -1.60 -0.04 0.00 1.01 0.00 0.00 42.92 42.14 2krr s ASP 54 CO -0.00 0.35 -0.23 -0.36 0.21 0.00 0.00 175.17 175.14 2krr s PHE 55 N -0.99 2.35 0.36 4.23 0.40 -0.55 -0.96 117.98 122.83 2krr s PHE 55 Ca 0.16 -0.35 0.06 0.00 -0.60 0.00 0.00 56.93 56.20 2krr s PHE 55 Cb -0.12 -1.20 0.74 0.00 0.51 0.00 0.00 43.02 42.96 2krr s PHE 55 CO 0.06 0.45 1.97 0.93 0.70 0.00 0.00 175.22 179.32 2krr h GLU 56 N 3.40 0.73 -4.45 0.44 5.08 -1.84 -3.42 114.58 114.52 2krr h GLU 56 Ca -0.48 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 57.65 2krr h GLU 56 Cb 1.19 -0.16 -0.15 0.00 0.50 0.00 0.00 28.75 30.13 2krr h GLU 56 CO 0.46 0.48 -0.65 0.45 -1.00 0.00 0.00 179.01 178.75 2krr s SER 57 N -6.25 0.45 0.51 1.42 0.15 -1.26 -4.99 113.70 103.73 2krr s SER 57 Ca -0.10 -1.18 0.26 0.00 0.70 0.00 0.00 55.95 55.64 2krr s SER 57 Cb 0.19 0.26 1.39 0.00 -1.71 0.00 0.00 66.02 66.16 2krr s SER 57 CO 0.77 -0.69 2.05 0.00 1.20 0.00 0.00 173.24 176.57 2krr h ALA 58 N 2.88 1.29 0.79 5.45 0.00 -1.95 -3.02 119.26 124.71 2krr h ALA 58 Ca -0.35 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 2krr h ALA 58 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2krr h ALA 58 CO 0.60 0.16 -0.43 0.93 0.00 0.00 0.00 179.25 180.51 2krr h GLU 59 N 0.00 -1.10 0.00 0.00 5.08 -1.97 -0.16 114.58 116.43 2krr h GLU 59 Ca -0.00 0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2krr h GLU 59 Cb 0.36 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2krr h GLU 59 CO 0.02 -0.73 -0.02 -0.44 -1.00 0.00 0.00 179.01 176.84 2krr h ASP 60 N -1.14 0.00 0.08 1.42 3.32 -1.91 -0.21 116.42 117.98 2krr h ASP 60 Ca -0.11 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 2krr h ASP 60 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 2krr h ASP 60 CO 0.14 0.02 -0.04 0.25 -1.72 0.00 0.00 179.24 177.89 2krr h LEU 61 N 0.00 -0.09 -0.81 1.55 6.46 -1.30 -3.06 115.31 118.06 2krr h LEU 61 Ca -0.00 -0.44 -0.11 0.00 -0.12 0.00 0.00 57.88 57.21 2krr h LEU 61 Cb 0.05 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 2krr h LEU 61 CO 0.00 0.42 -0.25 1.05 -0.62 0.00 0.00 178.44 179.04 2krr h GLU 62 N -0.64 0.61 -0.73 1.25 4.11 -0.66 -3.02 114.58 115.51 2krr h GLU 62 Ca -0.01 -0.24 0.11 0.00 0.07 0.00 0.00 59.36 59.29 2krr h GLU 62 Cb 0.53 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.67 2krr h GLU 62 CO 0.02 0.81 0.34 0.87 0.07 0.00 0.00 179.01 181.11 2krr h LYS 63 N 0.53 0.53 0.00 1.06 1.57 -1.09 0.31 116.57 119.48 2krr h LYS 63 Ca 0.07 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2krr h LYS 63 Cb 0.72 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2krr h LYS 63 CO 0.06 0.35 0.00 0.00 -0.57 0.00 0.00 179.45 179.28 2krr h ALA 64 N 1.47 1.00 -0.00 3.86 0.00 -1.42 0.25 119.26 124.42 2krr h ALA 64 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2krr h ALA 64 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2krr h ALA 64 CO -0.32 0.00 -0.36 1.28 0.00 0.00 0.00 179.25 179.85 2krr n LEU 65 N -2.80 0.43 -0.05 0.00 4.77 0.10 -4.31 117.00 115.14 2krr n LEU 65 Ca 0.00 0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 55.97 2krr n LEU 65 Cb 0.21 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 40.98 2krr n LEU 65 CO 0.22 0.10 -0.84 -1.84 -1.33 0.00 0.00 177.39 173.71 2krr n GLU 66 N -1.42 0.21 -0.33 3.23 0.28 -0.57 -5.05 120.64 116.99 2krr n GLU 66 Ca 0.07 0.09 -0.29 0.00 -0.16 0.00 0.00 57.16 56.87 2krr n GLU 66 Cb 0.33 -0.88 0.27 0.00 1.43 0.00 0.00 31.44 32.60 2krr n GLU 66 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 2krr n LEU 67 N -3.38 -0.96 -4.16 -1.84 -0.00 0.77 -5.07 117.00 102.36 2krr n LEU 67 Ca -0.19 -0.61 -0.17 0.00 -0.00 0.00 0.00 56.01 55.04 2krr n LEU 67 Cb 0.64 -1.06 -0.05 0.00 -0.00 0.00 0.00 43.42 42.95 2krr n LEU 67 CO 0.02 -4.10 0.06 0.28 -0.00 0.00 0.00 177.39 173.65 2krr s THR 68 N -2.20 0.00 0.00 1.47 -1.32 -1.26 -4.92 115.64 107.41 2krr s THR 68 Ca 0.65 -1.74 0.00 0.00 -1.21 0.00 0.00 61.69 59.40 2krr s THR 68 Cb -0.16 -2.62 0.00 0.00 -1.51 0.00 0.00 72.50 68.21 2krr s THR 68 CO 0.58 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.60 2krr n GLY 69 N -0.61 0.48 3.20 6.08 0.00 -1.26 -5.07 105.19 108.01 2krr n GLY 69 Ca 0.03 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 2krr n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2krr s LEU 70 N -1.82 2.37 0.02 0.99 1.43 -1.26 -5.04 118.68 115.36 2krr s LEU 70 Ca 0.00 -0.55 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 2krr s LEU 70 Cb 0.00 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.68 2krr s LEU 70 CO 0.00 0.02 0.25 -1.59 0.23 0.00 0.00 176.35 175.26 2krr s LYS 71 N 1.16 0.68 -0.02 1.70 0.00 -1.26 -3.01 119.74 118.99 2krr s LYS 71 Ca 0.01 -0.43 -0.00 0.00 0.00 0.00 0.00 55.97 55.55 2krr s LYS 71 Cb -0.14 0.29 0.03 0.00 0.00 0.00 0.00 37.83 38.01 2krr s LYS 71 CO -0.07 -0.20 0.04 0.08 0.00 0.00 0.00 175.35 175.21 2krr s VAL 72 N -2.01 -0.05 -1.46 1.79 1.01 0.70 -4.77 120.40 115.62 2krr s VAL 72 Ca -0.09 0.19 -0.06 0.00 0.00 0.00 0.00 61.98 62.02 2krr s VAL 72 Cb -0.03 -0.10 0.03 0.00 0.00 0.00 0.00 36.38 36.28 2krr s VAL 72 CO -0.00 0.08 0.52 0.49 0.00 0.00 0.00 175.10 176.18 2krr n PHE 73 N 4.04 -1.86 0.00 5.22 3.72 -1.26 -1.80 117.46 125.52 2krr n PHE 73 Ca -0.26 0.46 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 2krr n PHE 73 Cb 0.52 -3.91 0.00 0.00 -0.94 0.00 0.00 39.48 35.15 2krr n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2krr n GLY 74 N -1.36 2.06 3.72 1.37 0.00 -1.26 -4.99 105.19 104.74 2krr n GLY 74 Ca -0.09 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 2krr n GLY 74 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2krr s ASN 75 N 0.00 7.13 -0.41 1.61 0.01 -0.75 -4.98 114.94 117.56 2krr s ASN 75 Ca 0.00 2.06 -0.29 0.00 -0.71 0.00 0.00 52.86 53.92 2krr s ASN 75 Cb 0.00 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.09 2krr s ASN 75 CO 0.00 -0.39 1.20 -0.70 -1.51 0.00 0.00 177.10 175.69 2krr s GLU 76 N 0.51 3.80 0.79 -0.60 2.12 -1.26 -0.21 118.70 123.85 2krr s GLU 76 Ca 0.55 0.84 -0.12 0.00 0.36 0.00 0.00 54.97 56.60 2krr s GLU 76 Cb -0.30 -3.89 0.07 0.00 0.26 0.00 0.00 34.13 30.28 2krr s GLU 76 CO 0.32 -1.27 1.15 0.96 -0.54 0.00 0.00 175.26 175.87 2krr s ILE 77 N 4.44 2.62 -0.17 -3.70 -5.25 -1.17 -4.78 121.20 113.19 2krr s ILE 77 Ca 0.51 0.24 0.01 0.00 -0.99 0.00 0.00 60.65 60.42 2krr s ILE 77 Cb -0.11 -2.61 0.01 0.00 2.95 0.00 0.00 42.46 42.70 2krr s ILE 77 CO 0.27 -0.22 -0.18 -0.54 -1.79 0.00 0.00 174.94 172.48 2krr s LYS 78 N -4.42 3.08 -0.07 0.37 1.02 0.69 -4.83 119.74 115.58 2krr s LYS 78 Ca 0.68 -0.80 -0.14 0.00 0.02 0.00 0.00 55.97 55.72 2krr s LYS 78 Cb -0.23 -2.58 -0.05 0.00 -0.52 0.00 0.00 37.83 34.45 2krr s LYS 78 CO 0.51 -0.10 0.36 -0.51 -0.92 0.00 0.00 175.35 174.69 2krr s LEU 79 N 1.05 4.38 0.00 3.17 1.02 -1.26 0.31 118.68 127.36 2krr s LEU 79 Ca -0.01 0.78 -0.06 0.00 0.02 0.00 0.00 54.13 54.85 2krr s LEU 79 Cb -0.14 -2.49 0.03 0.00 0.02 0.00 0.00 46.19 43.60 2krr s LEU 79 CO -0.06 0.24 0.54 -0.62 0.02 0.00 0.00 176.35 176.46 2krr n GLU 80 N 2.52 0.77 -4.76 1.70 -0.58 0.29 -4.98 120.64 115.59 2krr n GLU 80 Ca -0.13 -2.23 -0.32 0.00 -0.42 0.00 0.00 57.16 54.05 2krr n GLU 80 Cb 0.52 2.38 -0.12 0.00 -0.57 0.00 0.00 31.44 33.65 2krr n GLU 80 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2krr s LYS 81 N -2.44 2.43 0.18 3.49 0.00 -1.26 -0.30 119.74 121.84 2krr s LYS 81 Ca 0.21 -0.75 -0.03 0.00 0.00 0.00 0.00 55.97 55.39 2krr s LYS 81 Cb -0.02 -2.37 0.04 0.00 0.00 0.00 0.00 37.83 35.48 2krr s LYS 81 CO 0.15 0.61 0.16 -0.35 0.00 0.00 0.00 175.35 175.91 2krr n PRO 82 N 2.02 -1.33 -3.54 1.78 -0.04 -1.26 -4.75 135.00 127.88 2krr n PRO 82 Ca -0.17 -0.25 -0.18 0.00 -0.04 0.00 0.00 63.50 62.87 2krr n PRO 82 Cb 0.52 -0.24 -0.06 0.00 -0.04 0.00 0.00 33.50 33.68 2krr n PRO 82 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2krr s LYS 83 N -3.36 1.03 0.00 0.54 2.47 -1.26 -5.05 119.74 114.12 2krr s LYS 83 Ca 0.10 0.21 0.00 0.00 -1.56 0.00 0.00 55.97 54.73 2krr s LYS 83 Cb -0.01 0.49 0.00 0.00 -1.46 0.00 0.00 37.83 36.85 2krr s LYS 83 CO 0.08 -0.32 0.00 0.41 0.16 0.00 0.00 175.35 175.68 2krr n GLY 84 N 0.92 1.55 2.47 5.54 0.00 -1.26 -5.07 105.19 109.34 2krr n GLY 84 Ca -0.19 -1.98 -0.23 0.00 0.00 0.00 0.00 46.02 43.61 2krr n GLY 84 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2krr n LYS 85 N 0.00 1.92 -1.81 1.61 2.85 -1.26 -5.09 118.16 116.38 2krr n LYS 85 Ca 0.00 -4.04 -0.30 0.00 -1.05 0.00 0.00 58.31 52.92 2krr n LYS 85 Cb 0.00 -1.89 0.21 0.00 -0.65 0.00 0.00 35.03 32.71 2krr n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2krr s ASP 86 N -2.59 2.48 0.24 -5.58 1.01 -1.26 -4.98 116.67 105.98 2krr s ASP 86 Ca 0.42 0.21 0.14 0.00 0.71 0.00 0.00 52.55 54.03 2krr s ASP 86 Cb 0.27 -0.18 0.01 0.00 1.01 0.00 0.00 42.92 44.03 2krr s ASP 86 CO -0.09 -3.12 1.36 0.28 0.21 0.00 0.00 175.17 173.80 2krr h SER 87 N -1.91 0.00 -0.21 0.27 0.02 -2.04 -3.24 113.55 106.44 2krr h SER 87 Ca -0.44 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.57 2krr h SER 87 Cb 1.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 2krr h SER 87 CO 0.31 0.57 0.24 0.11 -1.14 0.00 0.00 176.83 176.92 2krr h LYS 88 N 0.00 0.00 -0.18 3.45 6.56 -2.02 0.00 116.57 124.38 2krr h LYS 88 Ca -0.02 0.00 0.05 0.00 -1.06 0.00 0.00 60.65 59.62 2krr h LYS 88 Cb 1.45 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 33.10 2krr h LYS 88 CO 0.07 0.00 0.22 1.57 -2.06 0.00 0.00 179.45 179.25 2krr h LYS 89 N 0.00 0.00 0.41 3.15 2.10 -1.95 0.97 116.57 121.25 2krr h LYS 89 Ca 0.10 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.74 2krr h LYS 89 Cb 0.58 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.88 2krr h LYS 89 CO -0.00 0.00 -0.49 0.93 -2.00 0.00 0.00 179.45 177.89 2krr h GLU 90 N 0.00 -0.88 0.11 0.07 5.08 -1.24 0.60 114.58 118.31 2krr h GLU 90 Ca 0.09 0.06 -0.29 0.00 -1.00 0.00 0.00 59.36 58.22 2krr h GLU 90 Cb 0.53 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 2krr h GLU 90 CO -0.00 -0.59 -1.39 0.07 -1.00 0.00 0.00 179.01 176.10 2krr h ARG 91 N -0.92 0.24 0.00 2.33 0.11 -1.68 -3.26 114.38 111.20 2krr h ARG 91 Ca -0.05 -0.41 -0.00 0.00 0.10 0.00 0.00 59.98 59.62 2krr h ARG 91 Cb 0.82 0.15 -0.00 0.00 1.11 0.00 0.00 29.97 32.05 2krr h ARG 91 CO -0.10 1.14 -0.01 -0.44 0.10 0.00 0.00 179.97 180.66 2krr h ASP 92 N 0.07 0.00 0.63 0.08 5.19 -0.79 0.72 116.42 122.31 2krr h ASP 92 Ca -0.19 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 2krr h ASP 92 Cb 1.99 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.50 2krr h ASP 92 CO 0.18 0.01 0.00 0.00 -3.12 0.00 0.00 179.24 176.30 2krr n ALA 93 N -2.16 2.08 -0.20 3.45 0.00 0.20 -2.16 120.51 121.72 2krr n ALA 93 Ca -0.03 -0.09 0.28 0.00 0.00 0.00 0.00 53.44 53.60 2krr n ALA 93 Cb 0.09 -1.37 0.69 0.00 0.00 0.00 0.00 19.45 18.87 2krr n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2krr h ARG 94 N 0.00 0.07 -5.84 0.00 3.08 -1.04 -3.40 114.38 107.25 2krr h ARG 94 Ca 0.00 -0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.44 2krr h ARG 94 Cb 0.31 -0.01 -0.30 0.00 0.08 0.00 0.00 29.97 30.05 2krr h ARG 94 CO 0.00 0.04 -0.85 0.99 -1.07 0.00 0.00 179.97 179.08 2krr s THR 95 N -5.05 1.63 0.21 2.04 2.01 -1.23 -2.75 115.64 112.50 2krr s THR 95 Ca -0.06 -0.86 0.06 0.00 0.31 0.00 0.00 61.69 61.14 2krr s THR 95 Cb 0.22 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 2krr s THR 95 CO 0.78 0.46 0.22 -0.76 -0.69 0.00 0.00 174.62 174.63 2krr s LEU 96 N -0.33 3.98 0.05 4.42 2.01 0.11 -2.33 118.68 126.59 2krr s LEU 96 Ca 0.04 -0.10 0.09 0.00 0.01 0.00 0.00 54.13 54.17 2krr s LEU 96 Cb -0.09 -2.54 -0.03 0.00 0.01 0.00 0.00 46.19 43.54 2krr s LEU 96 CO 0.00 -0.00 -0.24 -0.22 1.01 0.00 0.00 176.35 176.90 2krr s LEU 97 N -3.59 2.30 -0.15 1.79 2.96 0.96 -1.04 118.68 121.91 2krr s LEU 97 Ca 0.33 -0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 53.64 2krr s LEU 97 Cb -0.09 -1.34 -0.02 0.00 0.50 0.00 0.00 46.19 45.23 2krr s LEU 97 CO 0.26 0.25 -0.06 0.00 -1.32 0.00 0.00 176.35 175.48 2krr s ALA 98 N -0.86 2.93 0.37 5.97 0.00 0.82 -0.09 121.76 130.89 2krr s ALA 98 Ca 0.13 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.29 2krr s ALA 98 Cb -0.10 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 2krr s ALA 98 CO 0.03 0.23 0.10 0.15 0.00 0.00 0.00 175.76 176.27 2krr s LYS 99 N 0.34 1.80 -0.76 0.00 -0.14 -0.53 -2.34 119.74 118.11 2krr s LYS 99 Ca -0.05 -2.06 0.00 0.00 -1.36 0.00 0.00 55.97 52.50 2krr s LYS 99 Cb -0.14 -0.66 0.00 0.00 -1.68 0.00 0.00 37.83 35.35 2krr s LYS 99 CO 0.03 -0.37 0.00 -1.71 -0.76 0.00 0.00 175.35 172.54 2krr n ASN 100 N -1.04 -5.03 -4.76 2.83 5.15 -1.26 -2.21 115.26 108.94 2krr n ASN 100 Ca -0.04 0.18 -0.39 0.00 -0.60 0.00 0.00 54.58 53.72 2krr n ASN 100 Cb 0.66 -3.16 -0.06 0.00 -0.53 0.00 0.00 39.78 36.68 2krr n ASN 100 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2krr s LEU 101 N -1.62 4.59 0.85 1.20 1.43 -1.15 -4.63 118.68 119.35 2krr s LEU 101 Ca 0.00 1.92 -0.11 0.00 -1.03 0.00 0.00 54.13 54.91 2krr s LEU 101 Cb 0.00 -3.67 0.10 0.00 0.03 0.00 0.00 46.19 42.65 2krr s LEU 101 CO 0.00 0.12 1.09 -2.16 0.23 0.00 0.00 176.35 175.63 2krr s PRO 102 N -1.34 1.64 0.00 1.29 0.04 -1.26 -4.37 135.00 131.01 2krr s PRO 102 Ca 0.42 0.95 0.18 0.00 0.04 0.00 0.00 61.00 62.59 2krr s PRO 102 Cb -0.25 -1.84 0.81 0.00 0.04 0.00 0.00 34.50 33.26 2krr s PRO 102 CO 0.30 -2.01 1.55 0.66 0.04 0.00 0.00 177.00 177.55 2krr n TYR 103 N -3.74 0.00 -1.05 0.56 4.01 -1.26 -2.21 117.16 113.46 2krr n TYR 103 Ca 0.08 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.91 2krr n TYR 103 Cb 0.54 -0.42 0.18 0.00 -0.31 0.00 0.00 39.34 39.33 2krr n TYR 103 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2krr n LYS 104 N -1.42 1.83 -1.46 -0.72 0.00 -1.26 -3.07 118.16 112.06 2krr n LYS 104 Ca 0.06 -2.68 -0.30 0.00 -0.00 0.00 0.00 58.31 55.39 2krr n LYS 104 Cb 0.18 -1.62 0.08 0.00 -0.00 0.00 0.00 35.03 33.68 2krr n LYS 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2krr s VAL 105 N -2.87 3.40 0.02 0.58 0.11 -0.94 -5.08 120.40 115.62 2krr s VAL 105 Ca 0.36 0.46 -0.00 0.00 -2.93 0.00 0.00 61.98 59.86 2krr s VAL 105 Cb 0.30 -3.12 -0.02 0.00 -1.53 0.00 0.00 36.38 32.01 2krr s VAL 105 CO 0.05 -0.59 -0.02 -0.89 -3.33 0.00 0.00 175.10 170.31 2krr s THR 106 N -3.04 0.12 0.27 5.04 2.01 -1.26 -4.92 115.64 113.85 2krr s THR 106 Ca 0.60 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 61.63 2krr s THR 106 Cb -0.15 -0.34 0.31 0.00 0.01 0.00 0.00 72.50 72.33 2krr s THR 106 CO 0.55 -0.52 1.63 1.56 -0.69 0.00 0.00 174.62 177.15 2krr h GLN 107 N 4.55 0.14 -0.43 4.92 4.20 -1.98 0.20 115.11 126.71 2krr h GLN 107 Ca -0.32 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.39 2krr h GLN 107 Cb 1.21 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 2krr h GLN 107 CO 0.42 0.09 0.27 0.22 -0.67 0.00 0.00 178.83 179.17 2krr h ASP 108 N 0.14 0.46 -0.98 1.46 1.82 -1.96 0.14 116.42 117.51 2krr h ASP 108 Ca 0.49 -0.01 0.24 0.00 -0.39 0.00 0.00 57.03 57.37 2krr h ASP 108 Cb 0.95 -0.11 -0.13 0.00 0.68 0.00 0.00 39.33 40.72 2krr h ASP 108 CO -0.69 0.33 0.54 -0.33 -1.61 0.00 0.00 179.24 177.49 2krr h GLU 109 N 0.56 0.51 0.00 0.28 5.08 -1.01 0.28 114.58 120.28 2krr h GLU 109 Ca 0.16 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.34 2krr h GLU 109 Cb -0.04 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2krr h GLU 109 CO -0.05 0.34 -1.05 -0.07 -1.00 0.00 0.00 179.01 177.17 2krr h LEU 110 N 0.52 0.00 -0.26 1.33 3.38 -1.13 -3.27 115.31 115.88 2krr h LEU 110 Ca 0.63 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.60 2krr h LEU 110 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2krr h LEU 110 CO -0.50 0.57 0.00 2.29 0.09 0.00 0.00 178.44 180.90 2krr n LYS 111 N -3.04 0.06 0.15 1.13 2.85 0.91 -2.28 118.16 117.94 2krr n LYS 111 Ca -0.05 0.35 0.12 0.00 -1.05 0.00 0.00 58.31 57.68 2krr n LYS 111 Cb 0.81 -1.62 0.55 0.00 -0.65 0.00 0.00 35.03 34.12 2krr n LYS 111 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2krr h GLU 112 N 0.00 0.00 0.00 -1.58 4.39 -1.37 0.32 114.58 116.34 2krr h GLU 112 Ca 0.00 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 2krr h GLU 112 Cb 0.24 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 2krr h GLU 112 CO 0.00 0.00 -1.89 1.33 -1.16 0.00 0.00 179.01 177.29 2krr n VAL 113 N -2.30 0.88 -1.42 3.13 0.24 -0.97 -4.66 118.33 113.23 2krr n VAL 113 Ca 0.01 -0.24 -0.28 0.00 -2.04 0.00 0.00 64.34 61.79 2krr n VAL 113 Cb 0.15 -1.61 0.11 0.00 -1.47 0.00 0.00 33.84 31.02 2krr n VAL 113 CO 0.00 0.00 0.00 2.22 -2.14 0.00 0.00 176.83 176.91 2krr n PHE 114 N -3.60 2.90 0.29 6.34 1.16 -1.21 -4.65 117.46 118.69 2krr n PHE 114 Ca -0.31 -2.51 0.19 0.00 -1.87 0.00 0.00 57.45 52.95 2krr n PHE 114 Cb 0.73 -1.08 0.97 0.00 -1.61 0.00 0.00 39.48 38.49 2krr n PHE 114 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 2krr h GLU 115 N 1.70 0.00 -0.66 3.97 4.81 -0.62 0.34 114.58 124.11 2krr h GLU 115 Ca 0.54 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 2krr h GLU 115 Cb 1.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.84 2krr h GLU 115 CO 1.24 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 176.05 2krr n ASP 116 N -3.33 4.23 -4.82 1.04 2.03 -1.26 -4.95 116.55 109.49 2krr n ASP 116 Ca -0.01 -2.54 -0.29 0.00 0.52 0.00 0.00 54.79 52.47 2krr n ASP 116 Cb 0.23 -0.58 0.10 0.00 -0.72 0.00 0.00 41.12 40.16 2krr n ASP 116 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2krr s ALA 117 N -2.08 2.50 -0.01 -1.67 0.00 0.12 -4.99 121.76 115.63 2krr s ALA 117 Ca 0.40 -0.68 -0.17 0.00 0.00 0.00 0.00 51.96 51.52 2krr s ALA 117 Cb 0.29 -2.95 -0.09 0.00 0.00 0.00 0.00 23.12 20.36 2krr s ALA 117 CO 0.15 -1.83 0.79 0.00 0.00 0.00 0.00 175.76 174.88 2krr h ALA 118 N -1.17 -0.70 -2.54 0.00 0.00 -1.86 -3.48 119.26 109.50 2krr h ALA 118 Ca -0.46 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.19 2krr h ALA 118 Cb 1.32 0.23 -0.13 0.00 0.00 0.00 0.00 17.79 19.21 2krr h ALA 118 CO 0.63 -0.66 -0.43 -1.83 0.00 0.00 0.00 179.25 176.96 2krr s GLU 119 N -3.60 1.02 -0.01 0.00 -1.05 -0.59 -5.03 118.70 109.45 2krr s GLU 119 Ca -0.09 -1.22 0.02 0.00 -0.15 0.00 0.00 54.97 53.54 2krr s GLU 119 Cb 0.01 0.33 -0.00 0.00 -0.44 0.00 0.00 34.13 34.02 2krr s GLU 119 CO 0.26 -0.34 -0.07 0.42 0.95 0.00 0.00 175.26 176.48 2krr s ILE 120 N -3.97 0.58 -0.20 1.83 1.09 -1.26 -2.37 121.20 116.90 2krr s ILE 120 Ca 0.17 -0.29 -0.05 0.00 -1.10 0.00 0.00 60.65 59.38 2krr s ILE 120 Cb 0.05 -0.51 0.07 0.00 -1.06 0.00 0.00 42.46 41.01 2krr s ILE 120 CO -0.02 0.18 0.10 -0.13 -0.10 0.00 0.00 174.94 174.97 2krr s ARG 121 N -0.02 0.09 0.13 2.79 1.81 0.85 -4.99 118.95 119.60 2krr s ARG 121 Ca 0.01 -0.18 -0.17 0.00 -1.72 0.00 0.00 55.73 53.67 2krr s ARG 121 Cb -0.05 -1.67 -0.07 0.00 -0.45 0.00 0.00 34.95 32.71 2krr s ARG 121 CO -0.00 -0.75 0.58 -1.17 -0.68 0.00 0.00 175.30 173.27 2krr s LEU 122 N 2.13 4.41 -0.25 2.53 2.96 -1.26 0.11 118.68 129.32 2krr s LEU 122 Ca 0.04 1.19 -0.13 0.00 -0.22 0.00 0.00 54.13 55.01 2krr s LEU 122 Cb -0.16 -3.15 -0.04 0.00 0.50 0.00 0.00 46.19 43.33 2krr s LEU 122 CO -0.15 0.16 0.27 -0.69 -1.32 0.00 0.00 176.35 174.61 2krr s VAL 123 N -1.33 5.27 -0.23 1.68 1.01 -1.14 -4.91 120.40 120.75 2krr s VAL 123 Ca 0.35 0.38 -0.14 0.00 0.00 0.00 0.00 61.98 62.57 2krr s VAL 123 Cb -0.17 -3.60 0.07 0.00 0.00 0.00 0.00 36.38 32.68 2krr s VAL 123 CO 0.19 0.26 0.58 -0.94 0.00 0.00 0.00 175.10 175.19 2krr s SER 124 N 1.35 -0.76 0.11 3.32 1.04 -1.26 -2.66 113.70 114.84 2krr s SER 124 Ca 0.11 1.26 0.03 0.00 0.48 0.00 0.00 55.95 57.83 2krr s SER 124 Cb -0.15 1.15 -0.04 0.00 0.10 0.00 0.00 66.02 67.08 2krr s SER 124 CO 0.08 -0.22 -0.08 -0.75 0.98 0.00 0.00 173.24 173.25 2krr s LYS 125 N 1.43 0.91 -1.36 4.02 2.47 -0.13 -4.78 119.74 122.31 2krr s LYS 125 Ca -0.09 -1.37 0.00 0.00 -1.56 0.00 0.00 55.97 52.95 2krr s LYS 125 Cb -0.06 -0.36 0.00 0.00 -1.46 0.00 0.00 37.83 35.95 2krr s LYS 125 CO -0.15 0.02 0.00 -3.47 0.16 0.00 0.00 175.35 171.90 2krr n ASP 126 N -0.07 -5.25 -0.10 1.43 2.03 -1.26 -1.50 116.55 111.83 2krr n ASP 126 Ca -0.12 0.32 -0.01 0.00 0.52 0.00 0.00 54.79 55.50 2krr n ASP 126 Cb 0.61 -3.88 -0.00 0.00 -0.72 0.00 0.00 41.12 37.12 2krr n ASP 126 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2krr n GLY 127 N -0.46 0.38 3.23 0.27 0.00 -1.26 -5.04 105.19 102.30 2krr n GLY 127 Ca -0.13 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 2krr n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2krr s LYS 128 N -3.29 0.89 0.33 1.61 0.00 -0.57 -5.15 119.74 113.55 2krr s LYS 128 Ca 0.00 -0.88 -0.26 0.00 0.00 0.00 0.00 55.97 54.83 2krr s LYS 128 Cb 0.00 0.37 -0.10 0.00 0.00 0.00 0.00 37.83 38.10 2krr s LYS 128 CO 0.00 -0.30 0.96 -1.12 0.00 0.00 0.00 175.35 174.90 2krr s SER 129 N -2.80 7.28 0.21 0.03 0.01 -1.17 -0.96 113.70 116.30 2krr s SER 129 Ca 0.04 1.88 0.22 0.00 1.31 0.00 0.00 55.95 59.39 2krr s SER 129 Cb 0.04 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.71 2krr s SER 129 CO -0.11 -0.11 1.09 0.11 0.41 0.00 0.00 173.24 174.62 2krr h LYS 130 N 3.14 0.00 0.00 12.44 1.57 -1.82 -3.44 116.57 128.46 2krr h LYS 130 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2krr h LYS 130 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2krr h LYS 130 CO 0.65 0.05 0.00 0.41 -0.57 0.00 0.00 179.45 179.99 2krr n GLY 131 N 1.20 1.26 3.19 3.86 0.00 -1.26 -4.97 105.19 108.47 2krr n GLY 131 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 2krr n GLY 131 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2krr s ILE 132 N -2.00 0.09 -0.27 -0.61 -4.36 -1.26 -2.92 121.20 109.86 2krr s ILE 132 Ca 0.00 -1.83 -0.10 0.00 -0.26 0.00 0.00 60.65 58.46 2krr s ILE 132 Cb 0.00 -2.04 0.12 0.00 1.25 0.00 0.00 42.46 41.78 2krr s ILE 132 CO 0.00 -0.40 0.60 0.00 0.24 0.00 0.00 174.94 175.38 2krr s ALA 133 N -4.04 -1.83 0.06 2.27 0.00 -0.99 -2.88 121.76 114.35 2krr s ALA 133 Ca 0.24 2.17 -0.19 0.00 0.00 0.00 0.00 51.96 54.18 2krr s ALA 133 Cb 0.07 -1.63 -0.07 0.00 0.00 0.00 0.00 23.12 21.49 2krr s ALA 133 CO 0.02 -0.82 0.56 0.71 0.00 0.00 0.00 175.76 176.23 2krr s TYR 134 N 2.68 3.79 -0.06 0.00 2.02 0.12 -0.13 117.35 125.78 2krr s TYR 134 Ca -0.06 1.25 0.01 0.00 -0.37 0.00 0.00 57.07 57.90 2krr s TYR 134 Cb -0.11 -2.49 0.02 0.00 -0.40 0.00 0.00 41.96 38.98 2krr s TYR 134 CO -0.18 0.58 -0.06 0.96 -1.57 0.00 0.00 175.55 175.28 2krr s ILE 135 N -1.04 0.67 -0.46 2.71 -0.00 -0.21 -0.10 121.20 122.77 2krr s ILE 135 Ca 0.29 -0.18 -0.14 0.00 -0.00 0.00 0.00 60.65 60.62 2krr s ILE 135 Cb -0.19 -0.69 0.08 0.00 -0.00 0.00 0.00 42.46 41.66 2krr s ILE 135 CO 0.18 0.26 0.37 -0.70 -0.00 0.00 0.00 174.94 175.06 2krr s GLU 136 N 1.04 2.89 0.85 0.37 2.12 -1.00 0.07 118.70 125.03 2krr s GLU 136 Ca -0.09 -1.40 -0.13 0.00 0.36 0.00 0.00 54.97 53.72 2krr s GLU 136 Cb -0.14 -4.06 0.11 0.00 0.26 0.00 0.00 34.13 30.30 2krr s GLU 136 CO -0.00 -1.03 1.19 -0.06 -0.54 0.00 0.00 175.26 174.82 2krr s PHE 137 N 1.59 2.68 0.06 5.30 0.40 -1.11 -1.53 117.98 125.37 2krr s PHE 137 Ca 0.04 0.71 -0.16 0.00 -0.60 0.00 0.00 56.93 56.92 2krr s PHE 137 Cb -0.24 -3.56 -0.18 0.00 0.51 0.00 0.00 43.02 39.55 2krr s PHE 137 CO 0.05 -2.00 1.25 0.87 0.70 0.00 0.00 175.22 176.09 2krr h LYS 138 N -1.22 0.63 -3.19 0.44 6.56 -1.93 -3.44 116.57 114.42 2krr h LYS 138 Ca -0.46 -0.53 -0.11 0.00 -1.06 0.00 0.00 60.65 58.48 2krr h LYS 138 Cb 1.32 0.12 -0.19 0.00 -0.57 0.00 0.00 32.23 32.90 2krr h LYS 138 CO 0.61 1.15 -0.30 -0.08 -2.06 0.00 0.00 179.45 178.78 2krr s THR 139 N -3.66 0.07 0.59 -0.16 -1.32 -1.26 -5.02 115.64 104.88 2krr s THR 139 Ca -0.12 -0.58 0.28 0.00 -1.21 0.00 0.00 61.69 60.06 2krr s THR 139 Cb 0.07 -0.71 0.37 0.00 -1.51 0.00 0.00 72.50 70.72 2krr s THR 139 CO 0.86 -0.32 2.03 -0.08 -2.21 0.00 0.00 174.62 174.90 2krr h GLU 140 N 3.70 0.00 -0.35 7.08 4.81 -1.86 0.86 114.58 128.82 2krr h GLU 140 Ca -0.30 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.83 2krr h GLU 140 Cb 1.18 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 2krr h GLU 140 CO 0.42 0.00 -0.19 0.00 -0.73 0.00 0.00 179.01 178.51 2krr h ALA 141 N 1.67 1.00 0.12 2.92 0.00 -1.95 0.26 119.26 123.28 2krr h ALA 141 Ca 0.13 -0.34 -0.31 0.00 0.00 0.00 0.00 54.91 54.39 2krr h ALA 141 Cb 0.72 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2krr h ALA 141 CO -0.00 0.59 -1.53 -0.44 0.00 0.00 0.00 179.25 177.87 2krr h ASP 142 N 0.59 0.41 0.31 0.00 5.19 -1.30 -3.13 116.42 118.48 2krr h ASP 142 Ca 0.09 -0.56 -0.02 0.00 -0.62 0.00 0.00 57.03 55.92 2krr h ASP 142 Cb 0.66 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.04 2krr h ASP 142 CO 0.05 1.47 -0.15 0.00 -3.12 0.00 0.00 179.24 177.49 2krr h ALA 143 N 0.47 -0.41 -0.27 3.45 0.00 -1.14 0.27 119.26 121.62 2krr h ALA 143 Ca -0.24 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.63 2krr h ALA 143 Cb 2.02 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.96 2krr h ALA 143 CO 0.17 -0.39 0.30 1.05 0.00 0.00 0.00 179.25 180.37 2krr h GLU 144 N -1.09 0.00 0.00 0.00 4.11 -0.68 -0.91 114.58 116.01 2krr h GLU 144 Ca -0.04 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.31 2krr h GLU 144 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2krr h GLU 144 CO 0.07 0.00 -0.59 -0.22 0.07 0.00 0.00 179.01 178.34 2krr h LYS 145 N 0.00 0.00 -0.71 1.06 3.64 -1.57 -3.36 116.57 115.63 2krr h LYS 145 Ca 0.13 0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.71 2krr h LYS 145 Cb 0.72 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.51 2krr h LYS 145 CO -0.00 0.46 0.59 1.15 -2.27 0.00 0.00 179.45 179.38 2krr h THR 146 N -1.00 0.46 0.03 1.00 2.02 -0.08 -0.08 112.91 115.26 2krr h THR 146 Ca -0.11 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.08 2krr h THR 146 Cb 0.74 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 67.67 2krr h THR 146 CO -0.07 0.00 -0.46 0.15 0.37 0.00 0.00 175.52 175.51 2krr h PHE 147 N 0.00 -1.36 0.00 3.16 3.57 -1.32 0.24 116.94 121.24 2krr h PHE 147 Ca 0.34 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.81 2krr h PHE 147 Cb 1.52 0.59 -0.01 0.00 2.79 0.00 0.00 35.95 40.84 2krr h PHE 147 CO 0.00 -0.50 -0.47 1.05 -2.23 0.00 0.00 178.31 176.16 2krr h GLU 148 N -0.61 0.00 0.00 1.11 4.11 -1.60 0.25 114.58 117.85 2krr h GLU 148 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2krr h GLU 148 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2krr h GLU 148 CO -0.29 0.27 0.00 0.93 0.07 0.00 0.00 179.01 179.99 2krr h GLU 149 N 0.00 0.00 0.00 1.06 4.39 -0.60 -3.26 114.58 116.17 2krr h GLU 149 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2krr h GLU 149 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 2krr h GLU 149 CO 0.04 0.00 -0.99 1.63 -1.16 0.00 0.00 179.01 178.53 2krr n LYS 150 N -2.81 3.30 -1.60 2.33 4.76 0.82 -5.00 118.16 119.96 2krr n LYS 150 Ca 0.01 0.00 -0.58 0.00 -2.87 0.00 0.00 58.31 54.88 2krr n LYS 150 Cb 0.30 -0.99 -0.07 0.00 -1.84 0.00 0.00 35.03 32.42 2krr n LYS 150 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 2krr n GLN 151 N -1.90 0.60 0.00 1.97 -0.06 0.87 -2.71 117.38 116.15 2krr n GLN 151 Ca 0.00 0.22 0.00 0.00 -2.00 0.00 0.00 57.00 55.22 2krr n GLN 151 Cb 0.41 -1.80 0.00 0.00 -4.06 0.00 0.00 30.24 24.79 2krr n GLN 151 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2krr n GLY 152 N 2.65 1.05 3.78 1.69 0.00 -1.26 -4.94 105.19 108.16 2krr n GLY 152 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 2krr n GLY 152 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2krr s THR 153 N -2.00 3.02 -0.16 2.61 -1.32 -1.10 -4.97 115.64 111.73 2krr s THR 153 Ca 0.00 0.33 -0.02 0.00 -1.21 0.00 0.00 61.69 60.79 2krr s THR 153 Cb 0.00 -2.98 -0.02 0.00 -1.51 0.00 0.00 72.50 68.00 2krr s THR 153 CO 0.00 -0.43 -0.09 -1.61 -2.21 0.00 0.00 174.62 170.27 2krr s GLU 154 N -5.06 3.44 -0.04 7.08 2.02 -1.26 -3.30 118.70 121.57 2krr s GLU 154 Ca 0.61 -0.64 -0.01 0.00 0.02 0.00 0.00 54.97 54.96 2krr s GLU 154 Cb -0.16 -2.78 0.03 0.00 0.10 0.00 0.00 34.13 31.32 2krr s GLU 154 CO 0.55 0.11 0.02 0.42 0.02 0.00 0.00 175.26 176.38 2krr s ILE 155 N 0.64 0.12 -1.68 -1.63 1.09 0.11 -4.79 121.20 115.06 2krr s ILE 155 Ca -0.05 0.20 0.00 0.00 -1.10 0.00 0.00 60.65 59.70 2krr s ILE 155 Cb -0.15 -0.28 0.00 0.00 -1.06 0.00 0.00 42.46 40.97 2krr s ILE 155 CO 0.03 0.17 0.00 0.47 -0.10 0.00 0.00 174.94 175.51 2krr n ASP 156 N 4.66 -4.91 0.00 3.58 9.92 -1.26 -1.78 116.55 126.76 2krr n ASP 156 Ca -0.16 0.38 0.00 0.00 -0.53 0.00 0.00 54.79 54.48 2krr n ASP 156 Cb 0.50 -3.81 0.00 0.00 -0.64 0.00 0.00 41.12 37.17 2krr n ASP 156 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2krr n GLY 157 N -1.03 3.22 2.79 0.44 0.00 -1.26 -5.03 105.19 104.32 2krr n GLY 157 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 2krr n GLY 157 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2krr n ARG 158 N -1.20 0.64 -3.87 1.61 1.85 -0.73 -5.06 116.66 109.89 2krr n ARG 158 Ca 0.00 -2.20 -0.36 0.00 -1.00 0.00 0.00 57.85 54.30 2krr n ARG 158 Cb 0.00 -0.21 -0.13 0.00 -1.05 0.00 0.00 32.46 31.07 2krr n ARG 158 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2krr s SER 159 N -3.61 5.00 0.56 2.89 0.01 -1.26 0.08 113.70 117.36 2krr s SER 159 Ca 0.44 -1.34 -0.16 0.00 1.31 0.00 0.00 55.95 56.20 2krr s SER 159 Cb -0.03 -1.75 -0.06 0.00 0.21 0.00 0.00 66.02 64.39 2krr s SER 159 CO 0.28 -0.30 1.03 0.27 0.41 0.00 0.00 173.24 174.93 2krr s ILE 160 N 1.26 4.05 0.20 1.44 -4.36 -1.21 -4.93 121.20 117.65 2krr s ILE 160 Ca -0.03 1.01 0.07 0.00 -0.26 0.00 0.00 60.65 61.44 2krr s ILE 160 Cb -0.20 -3.50 -0.05 0.00 1.25 0.00 0.00 42.46 39.96 2krr s ILE 160 CO -0.01 -0.54 -0.13 -0.44 0.24 0.00 0.00 174.94 174.06 2krr s SER 161 N -2.80 2.44 0.05 4.36 0.01 -0.94 -4.24 113.70 112.58 2krr s SER 161 Ca 0.62 -1.03 0.04 0.00 1.31 0.00 0.00 55.95 56.89 2krr s SER 161 Cb -0.14 -0.11 -0.02 0.00 0.21 0.00 0.00 66.02 65.95 2krr s SER 161 CO 0.33 -0.21 -0.11 -0.76 0.41 0.00 0.00 173.24 172.90 2krr s LEU 162 N -3.30 2.22 -0.15 2.44 1.02 -1.26 -1.46 118.68 118.19 2krr s LEU 162 Ca 0.22 -0.50 -0.06 0.00 0.02 0.00 0.00 54.13 53.80 2krr s LEU 162 Cb 0.00 -0.41 0.06 0.00 0.02 0.00 0.00 46.19 45.87 2krr s LEU 162 CO 0.06 -0.07 0.33 -0.31 0.02 0.00 0.00 176.35 176.38 2krr s TYR 163 N -1.09 -0.53 0.37 0.29 1.51 0.87 -4.96 117.35 113.82 2krr s TYR 163 Ca -0.03 1.13 -0.26 0.00 -1.01 0.00 0.00 57.07 56.90 2krr s TYR 163 Cb -0.09 0.13 -0.09 0.00 -0.11 0.00 0.00 41.96 41.81 2krr s TYR 163 CO 0.01 -0.35 1.20 1.52 -1.11 0.00 0.00 175.55 176.82 2krr s TYR 164 N 1.94 3.10 -0.08 2.71 -0.85 -1.26 -0.03 117.35 122.88 2krr s TYR 164 Ca -0.05 1.53 -0.30 0.00 -0.52 0.00 0.00 57.07 57.74 2krr s TYR 164 Cb -0.11 -3.46 0.11 0.00 0.38 0.00 0.00 41.96 38.88 2krr s TYR 164 CO -0.11 -1.41 0.95 -0.08 -1.52 0.00 0.00 175.55 173.38 2krr s THR 165 N -1.32 0.00 -0.43 -3.49 -1.32 -0.99 -4.86 115.64 103.24 2krr s THR 165 Ca 0.54 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 61.10 2krr s THR 165 Cb -0.33 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 69.99 2krr s THR 165 CO 0.42 0.00 0.99 0.61 -2.21 0.00 0.00 174.62 174.44 2krr n GLY 166 N 0.16 1.58 3.42 6.08 0.00 -0.92 -4.25 105.19 111.26 2krr n GLY 166 Ca -0.09 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 2krr n GLY 166 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2krr n GLU 167 N 0.33 0.01 -1.47 1.61 0.28 -1.26 -4.76 120.64 115.39 2krr n GLU 167 Ca 0.12 0.05 -0.32 0.00 -0.16 0.00 0.00 57.16 56.85 2krr n GLU 167 Cb 0.69 -1.81 0.07 0.00 1.43 0.00 0.00 31.44 31.82 2krr n GLU 167 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2krr s PRO 168 N -3.13 2.49 0.41 3.44 0.04 -1.26 -5.07 135.00 131.91 2krr s PRO 168 Ca 0.60 1.27 0.02 0.00 0.04 0.00 0.00 61.00 62.93 2krr s PRO 168 Cb -0.28 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.36 2krr s PRO 168 CO 0.63 -1.48 0.15 1.63 0.04 0.00 0.00 177.00 177.97 2krr n LYS 169 N -3.05 0.95 -0.19 4.56 4.01 -1.26 -4.86 118.16 118.32 2krr n LYS 169 Ca 0.10 -2.80 0.00 0.00 -0.51 0.00 0.00 58.31 55.10 2krr n LYS 169 Cb 0.53 0.55 0.00 0.00 -0.51 0.00 0.00 35.03 35.59 2krr n LYS 169 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2krr n GLY 170 N 0.06 1.17 0.31 0.72 0.00 -1.26 -5.00 105.19 101.20 2krr n GLY 170 Ca -0.10 -0.15 -0.06 0.00 0.00 0.00 0.00 46.02 45.71 2krr n GLY 170 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2krr h GLU 171 N 0.00 1.08 0.00 1.61 4.11 -2.04 -3.38 114.58 115.96 2krr h GLU 171 Ca 0.00 -0.16 -0.01 0.00 0.07 0.00 0.00 59.36 59.26 2krr h GLU 171 Cb 0.05 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2krr h GLU 171 CO 0.00 0.85 -0.17 0.41 0.07 0.00 0.00 179.01 180.17 2krr n GLY 172 N -0.96 0.84 0.28 1.06 0.00 -1.26 -4.96 105.19 100.18 2krr n GLY 172 Ca 0.06 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 2krr n GLY 172 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2krr h LEU 173 N 0.01 -0.54 -1.72 0.99 3.38 -1.98 -3.57 115.31 111.88 2krr h LEU 173 Ca -0.02 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2krr h LEU 173 Cb 1.14 0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2krr h LEU 173 CO -0.01 -0.18 0.00 -0.62 0.09 0.00 0.00 178.44 177.72