#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 2.96 0.08 2.61 2.01 -1.26 -4.98 115.64 117.06 2krr s THR 2 Ca 0.00 -3.17 -0.34 0.00 0.31 0.00 0.00 61.69 58.48 2krr s THR 2 Cb 0.00 -3.01 -0.17 0.00 0.01 0.00 0.00 72.50 69.34 2krr s THR 2 CO 0.00 -0.82 1.53 -0.33 -0.69 0.00 0.00 174.62 174.31 2krr h GLU 3 N 6.71 -0.93 -7.34 4.92 4.39 -2.05 -3.43 114.58 116.84 2krr h GLU 3 Ca -0.06 0.06 -0.47 0.00 0.34 0.00 0.00 59.36 59.24 2krr h GLU 3 Cb 0.92 0.21 0.15 0.00 -0.10 0.00 0.00 28.75 29.93 2krr h GLU 3 CO 0.69 -0.62 0.23 -1.25 -1.16 0.00 0.00 179.01 176.90 2krr s PRO 4 N -5.71 0.93 -0.20 2.33 0.04 -1.26 -5.01 135.00 126.12 2krr s PRO 4 Ca -0.17 0.70 0.10 0.00 0.04 0.00 0.00 61.00 61.68 2krr s PRO 4 Cb 0.04 -1.78 -0.20 0.00 0.04 0.00 0.00 34.50 32.60 2krr s PRO 4 CO 0.57 -2.44 -0.05 -2.37 0.04 0.00 0.00 177.00 172.76 2krr n THR 5 N -4.00 1.29 -4.22 1.26 5.66 -1.26 -5.02 114.28 107.99 2krr n THR 5 Ca 0.06 -0.67 -0.28 0.00 -3.05 0.00 0.00 64.05 60.11 2krr n THR 5 Cb 0.56 -0.85 -0.04 0.00 -1.55 0.00 0.00 70.33 68.45 2krr n THR 5 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2krr s THR 6 N -2.45 1.62 -0.43 1.09 -1.32 -1.26 -5.03 115.64 107.85 2krr s THR 6 Ca -0.18 -1.70 -0.00 0.00 -1.21 0.00 0.00 61.69 58.60 2krr s THR 6 Cb 0.07 -2.32 0.35 0.00 -1.51 0.00 0.00 72.50 69.09 2krr s THR 6 CO 0.67 0.00 1.94 0.00 -2.21 0.00 0.00 174.62 175.02 2krr n ALA 7 N -1.50 5.43 -3.59 11.08 0.00 -1.26 -4.70 120.51 125.97 2krr n ALA 7 Ca -0.07 -2.35 -0.29 0.00 0.00 0.00 0.00 53.44 50.73 2krr n ALA 7 Cb 0.65 -1.49 -0.12 0.00 0.00 0.00 0.00 19.45 18.48 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 -2.60 1.42 0.03 0.00 0.08 -1.26 -4.97 117.98 110.68 2krr s PHE 8 Ca 0.44 -2.09 0.00 0.00 0.12 0.00 0.00 56.93 55.40 2krr s PHE 8 Cb 0.35 -1.43 -0.02 0.00 -0.57 0.00 0.00 43.02 41.35 2krr s PHE 8 CO 0.01 -0.80 -0.04 -0.80 -0.10 0.00 0.00 175.22 173.49 2krr s ASN 9 N 0.61 0.42 0.05 1.36 -0.87 -1.26 -0.34 114.94 114.91 2krr s ASN 9 Ca 0.19 -0.55 0.02 0.00 -1.57 0.00 0.00 52.86 50.95 2krr s ASN 9 Cb -0.22 0.09 -0.03 0.00 -0.02 0.00 0.00 41.25 41.08 2krr s ASN 9 CO -0.01 -0.30 -0.08 -1.48 -2.57 0.00 0.00 177.10 172.66 2krr s LEU 10 N -1.61 2.29 -0.15 0.60 0.05 -0.61 -4.89 118.68 114.34 2krr s LEU 10 Ca -0.13 -0.60 -0.29 0.00 0.05 0.00 0.00 54.13 53.16 2krr s LEU 10 Cb -0.09 -0.17 -0.00 0.00 -2.05 0.00 0.00 46.19 43.88 2krr s LEU 10 CO -0.01 -0.23 1.02 0.12 -0.55 0.00 0.00 176.35 176.70 2krr s PHE 11 N -1.63 3.45 0.27 3.48 2.19 0.58 -1.45 117.98 124.87 2krr s PHE 11 Ca -0.07 1.55 0.09 0.00 0.33 0.00 0.00 56.93 58.83 2krr s PHE 11 Cb -0.08 -3.22 -0.04 0.00 -1.31 0.00 0.00 43.02 38.36 2krr s PHE 11 CO -0.00 -0.32 0.03 0.14 1.83 0.00 0.00 175.22 176.89 2krr s VAL 12 N 2.47 3.51 0.32 3.12 -7.23 0.99 0.14 120.40 123.71 2krr s VAL 12 Ca 0.47 -1.85 -0.09 0.00 -1.81 0.00 0.00 61.98 58.70 2krr s VAL 12 Cb -0.17 -2.91 0.01 0.00 0.56 0.00 0.00 36.38 33.87 2krr s VAL 12 CO 0.13 -0.36 0.54 -0.83 -0.31 0.00 0.00 175.10 174.28 2krr s GLY 13 N -3.70 0.92 -1.14 2.32 0.00 0.14 -1.09 107.32 104.75 2krr s GLY 13 Ca 0.32 -1.13 -0.05 0.00 0.00 0.00 0.00 44.72 43.87 2krr s GLY 13 CO 0.21 -0.72 0.90 -2.01 0.00 0.00 0.00 173.10 171.48 2krr n ASN 14 N -1.04 -4.20 -1.29 1.64 5.15 0.76 -0.06 115.26 116.21 2krr n ASN 14 Ca -0.02 -0.72 0.11 0.00 -0.60 0.00 0.00 54.58 53.35 2krr n ASN 14 Cb 0.61 -4.86 0.31 0.00 -0.53 0.00 0.00 39.78 35.31 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 -3.77 3.91 -1.24 1.20 4.77 -0.44 -2.97 117.00 118.45 2krr n LEU 15 Ca -0.18 -2.04 0.00 0.00 -0.03 0.00 0.00 56.01 53.76 2krr n LEU 15 Cb 0.64 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2krr n LEU 15 CO 0.62 0.95 -0.35 -3.20 -1.33 0.00 0.00 177.39 174.07 2krr n ASN 16 N 1.47 -6.95 -3.57 -1.43 5.15 -1.26 -4.86 115.26 103.81 2krr n ASN 16 Ca 0.23 0.97 -0.30 0.00 -0.60 0.00 0.00 54.58 54.88 2krr n ASN 16 Cb 0.62 -3.51 -0.07 0.00 -0.53 0.00 0.00 39.78 36.29 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 -0.85 3.44 0.00 1.20 -1.74 -1.23 -4.47 117.46 113.81 2krr n PHE 17 Ca 0.00 -3.93 0.00 0.00 -0.56 0.00 0.00 57.45 52.96 2krr n PHE 17 Cb 0.00 -0.69 0.00 0.00 1.52 0.00 0.00 39.48 40.31 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 1.04 1.66 -3.93 5.98 3.02 -1.26 -5.07 115.26 116.70 2krr n ASN 18 Ca 0.28 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.61 2krr n ASN 18 Cb 0.39 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.70 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 -2.07 -0.48 -1.14 3.52 4.76 -1.26 -5.08 118.16 116.42 2krr n LYS 19 Ca 0.00 -2.07 -0.29 0.00 -2.87 0.00 0.00 58.31 53.08 2krr n LYS 19 Cb 0.24 -0.82 0.20 0.00 -1.84 0.00 0.00 35.03 32.80 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 -4.76 2.07 0.01 4.39 0.01 -1.26 -4.93 113.70 109.24 2krr s SER 20 Ca 0.60 1.02 -0.27 0.00 1.31 0.00 0.00 55.95 58.60 2krr s SER 20 Cb -0.03 -1.57 -0.15 0.00 0.21 0.00 0.00 66.02 64.49 2krr s SER 20 CO 0.41 -3.46 1.12 0.00 0.41 0.00 0.00 173.24 171.72 2krr h ALA 21 N -2.12 -0.97 0.00 1.44 0.00 -1.98 -3.06 119.26 112.58 2krr h ALA 21 Ca -0.52 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2krr h ALA 21 Cb 1.32 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2krr h ALA 21 CO 0.52 -0.90 0.00 -0.35 0.00 0.00 0.00 179.25 178.52 2krr n PRO 22 N -5.42 0.13 0.14 0.00 -0.04 -1.26 -2.16 135.00 126.39 2krr n PRO 22 Ca -0.12 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 63.65 2krr n PRO 22 Cb 0.38 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.51 2krr n PRO 22 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2krr h GLU 23 N 0.00 0.00 0.15 0.54 4.57 -1.90 -3.31 114.58 114.63 2krr h GLU 23 Ca 0.00 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.88 2krr h GLU 23 Cb 0.18 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.78 2krr h GLU 23 CO 0.00 0.00 -1.43 -0.07 -1.18 0.00 0.00 179.01 176.33 2krr h LEU 24 N 0.00 0.51 -1.36 1.64 3.38 -1.38 -3.31 115.31 114.79 2krr h LEU 24 Ca 0.00 -0.61 0.16 0.00 0.09 0.00 0.00 57.88 57.52 2krr h LEU 24 Cb 0.91 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.42 2krr h LEU 24 CO 0.00 1.49 0.57 0.11 0.09 0.00 0.00 178.44 180.70 2krr h LYS 25 N 0.09 0.59 0.75 1.13 1.57 -1.67 -1.11 116.57 117.92 2krr h LYS 25 Ca -0.21 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.50 2krr h LYS 25 Cb 2.04 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 34.22 2krr h LYS 25 CO 0.20 0.39 -0.36 1.15 -0.57 0.00 0.00 179.45 180.26 2krr h THR 26 N 0.60 0.00 -0.71 -0.16 2.02 -1.71 -0.81 112.91 112.15 2krr h THR 26 Ca 0.44 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.71 2krr h THR 26 Cb 0.82 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.16 2krr h THR 26 CO -0.19 0.00 0.36 1.23 0.37 0.00 0.00 175.52 177.29 2krr h GLY 27 N -1.01 1.06 0.72 2.16 0.00 -1.61 0.25 103.07 104.64 2krr h GLY 27 Ca -0.10 -0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.03 2krr h GLY 27 CO 0.17 0.08 0.09 -2.22 0.00 0.00 0.00 176.54 174.66 2krr h ILE 28 N 0.62 0.90 0.00 2.60 2.04 -1.16 0.00 117.51 122.52 2krr h ILE 28 Ca 0.34 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 66.12 2krr h ILE 28 Cb 0.34 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2krr h ILE 28 CO -0.25 0.04 -0.03 0.77 0.00 0.00 0.00 178.15 178.68 2krr h SER 29 N 0.22 0.00 0.20 1.72 4.64 -0.53 -3.13 113.55 116.66 2krr h SER 29 Ca 0.14 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 2krr h SER 29 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2krr h SER 29 CO -0.15 0.03 -0.09 -0.78 -0.87 0.00 0.00 176.83 174.96 2krr h ASP 30 N 0.00 -0.22 -0.76 4.97 1.82 0.64 -2.71 116.42 120.16 2krr h ASP 30 Ca -0.00 -0.24 0.14 0.00 -0.39 0.00 0.00 57.03 56.54 2krr h ASP 30 Cb 0.71 0.06 -0.09 0.00 0.68 0.00 0.00 39.33 40.68 2krr h ASP 30 CO 0.00 0.32 0.31 1.62 -1.61 0.00 0.00 179.24 179.88 2krr h VAL 31 N -0.97 0.66 0.00 2.25 3.04 -1.10 0.32 116.25 120.46 2krr h VAL 31 Ca -0.03 -0.16 -0.03 0.00 -1.01 0.00 0.00 66.70 65.47 2krr h VAL 31 Cb 0.45 0.17 -0.00 0.00 -2.01 0.00 0.00 31.29 29.89 2krr h VAL 31 CO 0.04 0.08 -0.16 -0.26 -1.01 0.00 0.00 177.57 176.27 2krr h PHE 32 N 0.46 0.00 0.00 3.17 0.04 -1.64 -2.13 116.94 116.83 2krr h PHE 32 Ca 0.42 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.14 2krr h PHE 32 Cb 0.63 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 2krr h PHE 32 CO -0.16 0.16 -0.21 0.00 -0.60 0.00 0.00 178.31 177.50 2krr h ALA 33 N 1.84 1.10 0.00 2.45 0.00 -0.02 0.25 119.26 124.88 2krr h ALA 33 Ca -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2krr h ALA 33 Cb 0.45 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2krr h ALA 33 CO 0.02 0.26 -0.43 1.57 0.00 0.00 0.00 179.25 180.67 2krr h LYS 34 N 0.00 0.00 -0.87 0.00 5.09 -1.14 -3.26 116.57 116.39 2krr h LYS 34 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 60.65 60.50 2krr h LYS 34 Cb 0.63 0.00 -0.14 0.00 0.10 0.00 0.00 32.23 32.82 2krr h LYS 34 CO 0.03 0.10 0.30 0.09 -2.09 0.00 0.00 179.45 177.87 2krr n ASN 35 N -2.99 3.99 -2.40 7.07 3.02 -0.96 -4.86 115.26 118.13 2krr n ASN 35 Ca 0.02 -3.01 -0.20 0.00 -0.03 0.00 0.00 54.58 51.35 2krr n ASN 35 Cb 0.59 -0.71 -0.00 0.00 -0.61 0.00 0.00 39.78 39.04 2krr n ASN 35 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2krr n ASP 36 N -0.25 -5.81 -4.34 6.41 9.92 -1.23 -4.98 116.55 116.27 2krr n ASP 36 Ca 0.36 -0.06 -0.34 0.00 -0.53 0.00 0.00 54.79 54.22 2krr n ASP 36 Cb 1.22 -4.80 -0.14 0.00 -0.64 0.00 0.00 41.12 36.76 2krr n ASP 36 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2krr s LEU 37 N -5.92 2.83 -0.32 0.64 1.43 0.04 -4.96 118.68 112.41 2krr s LEU 37 Ca 0.04 -0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 52.69 2krr s LEU 37 Cb -0.02 -1.69 -0.00 0.00 0.03 0.00 0.00 46.19 44.51 2krr s LEU 37 CO 0.05 0.06 0.16 0.00 0.23 0.00 0.00 176.35 176.85 2krr s ALA 38 N 0.99 3.28 -0.05 4.21 0.00 -1.26 -3.26 121.76 125.66 2krr s ALA 38 Ca -0.01 -1.42 -0.13 0.00 0.00 0.00 0.00 51.96 50.40 2krr s ALA 38 Cb -0.15 -2.40 -0.05 0.00 0.00 0.00 0.00 23.12 20.52 2krr s ALA 38 CO -0.00 -0.95 0.35 0.14 0.00 0.00 0.00 175.76 175.29 2krr s VAL 39 N 1.61 5.17 -0.10 0.00 -7.23 -1.26 -2.09 120.40 116.49 2krr s VAL 39 Ca 0.04 0.69 0.16 0.00 -1.81 0.00 0.00 61.98 61.06 2krr s VAL 39 Cb -0.17 -3.65 -0.16 0.00 0.56 0.00 0.00 36.38 32.96 2krr s VAL 39 CO 0.06 0.54 0.78 1.33 -0.31 0.00 0.00 175.10 177.50 2krr n VAL 40 N 2.24 1.28 -3.58 1.32 0.24 0.09 -4.87 118.33 115.06 2krr n VAL 40 Ca -0.14 -0.72 -0.10 0.00 -2.04 0.00 0.00 64.34 61.34 2krr n VAL 40 Cb 0.53 -0.81 -0.05 0.00 -1.47 0.00 0.00 33.84 32.04 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 -5.84 -0.36 0.00 -1.34 2.15 -1.22 -4.96 116.67 105.10 2krr s ASP 41 Ca -0.03 0.37 0.03 0.00 0.43 0.00 0.00 52.55 53.35 2krr s ASP 41 Cb 0.08 0.30 -0.01 0.00 -0.30 0.00 0.00 42.92 42.99 2krr s ASP 41 CO 0.81 -0.35 -0.10 -0.69 -0.17 0.00 0.00 175.17 174.68 2krr s VAL 42 N -1.23 0.78 0.04 1.11 1.01 -1.26 0.01 120.40 120.87 2krr s VAL 42 Ca -0.01 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.52 2krr s VAL 42 Cb -0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 2krr s VAL 42 CO 0.01 0.15 -0.19 -0.60 0.00 0.00 0.00 175.10 174.47 2krr s ARG 43 N -0.41 1.31 -0.03 2.72 6.06 0.10 -4.95 118.95 123.74 2krr s ARG 43 Ca 0.03 -0.89 0.05 0.00 -2.50 0.00 0.00 55.73 52.41 2krr s ARG 43 Cb -0.05 -1.40 -0.01 0.00 0.06 0.00 0.00 34.95 33.56 2krr s ARG 43 CO -0.00 0.36 -0.17 0.42 -2.50 0.00 0.00 175.30 173.40 2krr s ILE 44 N -0.79 1.39 0.42 4.11 1.09 -1.26 -0.04 121.20 126.11 2krr s ILE 44 Ca 0.06 -0.72 -0.07 0.00 -1.10 0.00 0.00 60.65 58.83 2krr s ILE 44 Cb -0.09 -1.18 0.11 0.00 -1.06 0.00 0.00 42.46 40.25 2krr s ILE 44 CO 0.02 0.40 0.30 0.61 -0.10 0.00 0.00 174.94 176.16 2krr n GLY 45 N 2.94 -3.23 0.09 6.18 0.00 0.11 -4.91 105.19 106.38 2krr n GLY 45 Ca -0.17 -1.35 -0.14 0.00 0.00 0.00 0.00 46.02 44.37 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 0.20 0.00 1.61 -0.00 -2.01 -3.20 114.93 111.52 2krr h MET 46 Ca -0.12 -0.34 0.00 0.00 -0.00 0.00 0.00 59.70 59.24 2krr h MET 46 Cb 0.40 0.13 0.00 0.00 -0.00 0.00 0.00 31.60 32.13 2krr h MET 46 CO 0.08 1.14 0.00 -2.37 -0.00 0.00 0.00 176.91 175.76 2krr n THR 47 N -3.47 0.78 -2.01 -0.10 5.66 -1.26 -4.86 114.28 109.03 2krr n THR 47 Ca -0.08 0.19 -0.20 0.00 -3.05 0.00 0.00 64.05 60.91 2krr n THR 47 Cb 1.01 -0.91 -0.05 0.00 -1.55 0.00 0.00 70.33 68.83 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 -1.61 -1.59 -0.00 1.09 5.12 -1.21 -4.77 116.66 113.69 2krr n ARG 48 Ca 0.04 1.10 0.03 0.00 -1.93 0.00 0.00 57.85 57.09 2krr n ARG 48 Cb 0.22 -5.62 -0.05 0.00 -1.16 0.00 0.00 32.46 25.85 2krr n ARG 48 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2krr n LYS 49 N -2.68 2.00 -4.05 5.56 4.81 -1.26 -3.50 118.16 119.03 2krr n LYS 49 Ca -0.22 -0.04 -0.14 0.00 -0.87 0.00 0.00 58.31 57.04 2krr n LYS 49 Cb 0.68 -1.02 -0.03 0.00 0.02 0.00 0.00 35.03 34.68 2krr n LYS 49 CO 0.00 0.00 0.00 -0.59 1.17 0.00 0.00 177.40 177.98 2krr s PHE 50 N -2.13 0.94 -1.95 5.64 -0.71 -1.26 -0.17 117.98 118.33 2krr s PHE 50 Ca -0.01 -1.23 0.00 0.00 -1.04 0.00 0.00 56.93 54.65 2krr s PHE 50 Cb 0.04 0.05 0.00 0.00 -1.21 0.00 0.00 43.02 41.91 2krr s PHE 50 CO 0.27 -1.21 0.00 0.41 -1.34 0.00 0.00 175.22 173.35 2krr n GLY 51 N -0.57 -0.68 3.12 1.99 0.00 -0.25 0.09 105.19 108.90 2krr n GLY 51 Ca -0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.92 0.70 -0.05 1.61 1.51 0.94 -0.01 117.35 118.13 2krr s TYR 52 Ca 0.00 -0.91 -0.00 0.00 -1.01 0.00 0.00 57.07 55.14 2krr s TYR 52 Cb 0.00 -0.44 0.03 0.00 -0.11 0.00 0.00 41.96 41.43 2krr s TYR 52 CO 0.00 -0.23 -0.01 0.08 -1.11 0.00 0.00 175.55 174.28 2krr s VAL 53 N -3.42 0.35 -0.16 0.71 1.01 -0.53 -0.72 120.40 117.64 2krr s VAL 53 Ca 0.07 0.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 2krr s VAL 53 Cb 0.04 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 2krr s VAL 53 CO -0.06 0.21 0.12 -1.81 0.00 0.00 0.00 175.10 173.56 2krr s ASP 54 N 1.33 6.16 0.14 3.32 1.01 0.10 -1.58 116.67 127.16 2krr s ASP 54 Ca -0.05 0.29 0.09 0.00 0.71 0.00 0.00 52.55 53.59 2krr s ASP 54 Cb -0.13 -2.04 -0.04 0.00 1.01 0.00 0.00 42.92 41.71 2krr s ASP 54 CO -0.02 0.27 -0.15 -0.36 0.21 0.00 0.00 175.17 175.12 2krr s PHE 55 N -0.19 2.57 0.16 4.23 0.40 0.54 -0.73 117.98 124.96 2krr s PHE 55 Ca 0.10 -0.24 -0.23 0.00 -0.60 0.00 0.00 56.93 55.96 2krr s PHE 55 Cb -0.12 -1.32 0.04 0.00 0.51 0.00 0.00 43.02 42.14 2krr s PHE 55 CO 0.01 0.45 1.61 0.93 0.70 0.00 0.00 175.22 178.91 2krr h GLU 56 N 3.38 -0.26 -5.05 0.44 5.08 -1.73 -3.41 114.58 113.03 2krr h GLU 56 Ca -0.48 0.02 -0.35 0.00 -1.00 0.00 0.00 59.36 57.55 2krr h GLU 56 Cb 1.18 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 30.35 2krr h GLU 56 CO 0.50 -0.17 -0.68 -1.12 -1.00 0.00 0.00 179.01 176.53 2krr s SER 57 N -5.04 1.76 0.58 1.42 0.01 -1.26 -4.91 113.70 106.26 2krr s SER 57 Ca -0.15 -1.12 0.28 0.00 1.31 0.00 0.00 55.95 56.27 2krr s SER 57 Cb 0.13 0.01 1.54 0.00 0.21 0.00 0.00 66.02 67.90 2krr s SER 57 CO 0.68 -0.44 1.99 0.00 0.41 0.00 0.00 173.24 175.88 2krr h ALA 58 N 2.63 2.08 0.51 1.44 0.00 -1.93 -2.27 119.26 121.71 2krr h ALA 58 Ca -0.37 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2krr h ALA 58 Cb 1.21 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2krr h ALA 58 CO 0.64 -0.54 -0.43 0.93 0.00 0.00 0.00 179.25 179.85 2krr h GLU 59 N 0.00 -0.89 -0.93 0.00 5.08 -1.97 0.16 114.58 116.04 2krr h GLU 59 Ca 0.17 0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.60 2krr h GLU 59 Cb 0.87 0.20 -0.05 0.00 0.50 0.00 0.00 28.75 30.28 2krr h GLU 59 CO -0.00 -0.59 0.61 -0.44 -1.00 0.00 0.00 179.01 177.59 2krr h ASP 60 N -0.93 1.06 0.75 1.42 3.32 -1.79 0.65 116.42 120.91 2krr h ASP 60 Ca -0.06 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 2krr h ASP 60 Cb 0.79 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 40.08 2krr h ASP 60 CO -0.02 0.77 -0.38 0.25 -1.72 0.00 0.00 179.24 178.14 2krr h LEU 61 N 1.25 -0.92 -1.48 1.55 6.46 -1.27 -2.29 115.31 118.61 2krr h LEU 61 Ca 0.34 0.04 0.07 0.00 -0.12 0.00 0.00 57.88 58.21 2krr h LEU 61 Cb -0.14 0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 39.99 2krr h LEU 61 CO -0.07 -0.63 0.43 -0.33 -0.62 0.00 0.00 178.44 177.22 2krr h GLU 62 N -1.04 0.60 -0.78 1.25 4.39 -0.62 -1.66 114.58 116.73 2krr h GLU 62 Ca -0.10 -0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.64 2krr h GLU 62 Cb 0.80 -0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 29.25 2krr h GLU 62 CO 0.16 0.40 0.44 0.87 -1.16 0.00 0.00 179.01 179.72 2krr h LYS 63 N 0.62 0.76 0.00 2.33 1.57 -0.64 0.12 116.57 121.33 2krr h LYS 63 Ca 0.29 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2krr h LYS 63 Cb 0.33 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2krr h LYS 63 CO -0.09 0.50 0.00 0.00 -0.57 0.00 0.00 179.45 179.29 2krr h ALA 64 N 1.41 1.00 -0.00 3.86 0.00 -0.72 0.29 119.26 125.10 2krr h ALA 64 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2krr h ALA 64 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2krr h ALA 64 CO -0.22 0.00 -0.31 1.28 0.00 0.00 0.00 179.25 180.01 2krr n LEU 65 N -2.83 0.54 -0.03 0.00 4.77 0.39 -4.33 117.00 115.50 2krr n LEU 65 Ca 0.00 0.02 -0.07 0.00 -0.03 0.00 0.00 56.01 55.93 2krr n LEU 65 Cb 0.22 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 2krr n LEU 65 CO 0.23 0.11 -0.71 -1.84 -1.33 0.00 0.00 177.39 173.85 2krr n GLU 66 N -1.22 0.14 -0.33 3.23 0.28 -0.58 -5.06 120.64 117.10 2krr n GLU 66 Ca 0.09 0.06 -0.29 0.00 -0.16 0.00 0.00 57.16 56.86 2krr n GLU 66 Cb 0.33 -0.73 0.27 0.00 1.43 0.00 0.00 31.44 32.74 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 -3.31 -0.91 0.00 -1.84 -0.00 0.92 -5.07 117.00 106.79 2krr n LEU 67 Ca -0.13 -0.63 -0.10 0.00 -0.00 0.00 0.00 56.01 55.15 2krr n LEU 67 Cb 0.58 -1.05 -0.03 0.00 -0.00 0.00 0.00 43.42 42.92 2krr n LEU 67 CO 0.01 -4.13 0.01 1.07 -0.00 0.00 0.00 177.39 174.35 2krr n THR 68 N -5.48 0.00 -2.20 1.47 5.66 -1.26 -4.91 114.28 107.56 2krr n THR 68 Ca 0.09 -1.25 -0.02 0.00 -3.05 0.00 0.00 64.05 59.82 2krr n THR 68 Cb 0.57 0.68 0.01 0.00 -1.55 0.00 0.00 70.33 70.04 2krr n THR 68 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2krr n GLY 69 N -0.36 0.33 3.05 1.09 0.00 -1.26 -5.06 105.19 102.99 2krr n GLY 69 Ca 0.03 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.64 2.41 -0.03 0.99 1.43 -1.26 -5.03 118.68 114.55 2krr s LEU 70 Ca 0.00 -0.88 -0.18 0.00 -1.03 0.00 0.00 54.13 52.04 2krr s LEU 70 Cb -0.00 -1.37 0.03 0.00 0.03 0.00 0.00 46.19 44.89 2krr s LEU 70 CO 0.11 -0.10 0.40 -1.59 0.23 0.00 0.00 176.35 175.39 2krr s LYS 71 N 1.31 0.74 -0.02 1.70 0.00 -1.26 -2.44 119.74 119.77 2krr s LYS 71 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 55.97 55.92 2krr s LYS 71 Cb -0.16 0.34 0.01 0.00 0.00 0.00 0.00 37.83 38.02 2krr s LYS 71 CO -0.09 -0.20 0.05 0.14 0.00 0.00 0.00 175.35 175.24 2krr s VAL 72 N -1.17 -0.01 -1.94 1.79 -7.23 0.10 -4.82 120.40 107.12 2krr s VAL 72 Ca -0.12 0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.09 2krr s VAL 72 Cb -0.04 -0.08 0.00 0.00 0.56 0.00 0.00 36.38 36.82 2krr s VAL 72 CO 0.05 0.02 0.00 0.49 -0.31 0.00 0.00 175.10 175.35 2krr n PHE 73 N 3.27 -0.20 0.00 2.82 3.72 -1.26 -2.28 117.46 123.53 2krr n PHE 73 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 2krr n PHE 73 Cb 0.58 -3.34 0.00 0.00 -0.94 0.00 0.00 39.48 35.78 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 -0.71 3.03 3.80 1.37 0.00 -1.26 -5.04 105.19 106.38 2krr n GLY 74 Ca -0.20 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 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 5.83 -0.36 1.61 0.01 -0.96 -5.01 114.94 116.06 2krr s ASN 75 Ca 0.00 1.89 -0.14 0.00 -0.71 0.00 0.00 52.86 53.90 2krr s ASN 75 Cb 0.00 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.11 2krr s ASN 75 CO 0.00 -1.13 0.27 -0.70 -1.51 0.00 0.00 177.10 174.02 2krr s GLU 76 N -3.83 3.35 0.87 -0.60 2.12 -1.26 0.03 118.70 119.38 2krr s GLU 76 Ca 0.65 -0.74 -0.11 0.00 0.36 0.00 0.00 54.97 55.14 2krr s GLU 76 Cb -0.17 -3.86 0.12 0.00 0.26 0.00 0.00 34.13 30.48 2krr s GLU 76 CO 0.33 -0.54 1.10 0.96 -0.54 0.00 0.00 175.26 176.57 2krr s ILE 77 N 1.73 2.70 -0.05 -3.70 -5.25 -1.02 -4.75 121.20 110.86 2krr s ILE 77 Ca 0.06 0.23 0.01 0.00 -0.99 0.00 0.00 60.65 59.96 2krr s ILE 77 Cb -0.18 -2.55 0.02 0.00 2.95 0.00 0.00 42.46 42.71 2krr s ILE 77 CO 0.11 -0.30 -0.04 -0.54 -1.79 0.00 0.00 174.94 172.37 2krr s LYS 78 N -4.80 0.83 0.10 0.37 -0.14 0.91 -4.84 119.74 112.16 2krr s LYS 78 Ca 0.64 -0.09 -0.09 0.00 -1.36 0.00 0.00 55.97 55.07 2krr s LYS 78 Cb -0.20 -0.86 -0.06 0.00 -1.68 0.00 0.00 37.83 35.03 2krr s LYS 78 CO 0.57 -0.10 0.40 -0.51 -0.76 0.00 0.00 175.35 174.96 2krr s LEU 79 N 1.00 4.32 0.24 3.17 2.01 -1.26 0.24 118.68 128.40 2krr s LEU 79 Ca -0.10 0.75 -0.16 0.00 0.01 0.00 0.00 54.13 54.63 2krr s LEU 79 Cb -0.14 -3.09 0.01 0.00 0.01 0.00 0.00 46.19 42.98 2krr s LEU 79 CO -0.00 0.13 0.54 -1.61 1.01 0.00 0.00 176.35 176.42 2krr s GLU 80 N -2.12 1.54 -0.20 1.70 0.41 0.38 -4.97 118.70 115.44 2krr s GLU 80 Ca 0.35 -1.07 -0.08 0.00 -0.41 0.00 0.00 54.97 53.77 2krr s GLU 80 Cb -0.13 0.52 -0.04 0.00 -1.78 0.00 0.00 34.13 32.69 2krr s GLU 80 CO 0.20 -0.66 0.08 -1.59 -0.49 0.00 0.00 175.26 172.79 2krr s LYS 81 N -3.95 3.94 0.12 1.61 0.00 -1.26 -0.30 119.74 119.89 2krr s LYS 81 Ca 0.16 -0.35 -0.02 0.00 0.00 0.00 0.00 55.97 55.75 2krr s LYS 81 Cb -0.02 -3.27 0.03 0.00 0.00 0.00 0.00 37.83 34.57 2krr s LYS 81 CO 0.05 0.18 0.10 -0.35 0.00 0.00 0.00 175.35 175.33 2krr n PRO 82 N 3.83 -1.23 -3.95 1.78 -0.04 -1.26 -4.88 135.00 129.25 2krr n PRO 82 Ca -0.16 -0.16 -0.28 0.00 -0.04 0.00 0.00 63.50 62.86 2krr n PRO 82 Cb 0.52 -0.15 -0.04 0.00 -0.04 0.00 0.00 33.50 33.79 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 -3.23 3.40 0.11 0.54 2.47 -1.26 -5.07 119.74 116.70 2krr s LYS 83 Ca 0.07 -0.56 -0.19 0.00 -1.56 0.00 0.00 55.97 53.73 2krr s LYS 83 Cb -0.01 -2.97 0.05 0.00 -1.46 0.00 0.00 37.83 33.44 2krr s LYS 83 CO 0.05 0.55 0.47 0.20 0.16 0.00 0.00 175.35 176.78 2krr s GLY 84 N -2.97 -0.38 -0.42 5.54 0.00 -1.26 -5.08 107.32 102.74 2krr s GLY 84 Ca 0.34 0.22 0.07 0.00 0.00 0.00 0.00 44.72 45.36 2krr s GLY 84 CO 0.28 -0.06 1.25 0.58 0.00 0.00 0.00 173.10 175.15 2krr n LYS 85 N -0.09 1.06 -2.50 2.90 2.85 -1.26 -5.10 118.16 116.01 2krr n LYS 85 Ca -0.17 -1.79 -0.24 0.00 -1.05 0.00 0.00 58.31 55.06 2krr n LYS 85 Cb 0.63 -0.44 0.04 0.00 -0.65 0.00 0.00 35.03 34.62 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 -1.16 5.25 0.60 -5.58 1.01 -1.26 -4.95 116.67 110.57 2krr s ASP 86 Ca 0.21 0.30 0.30 0.00 0.71 0.00 0.00 52.55 54.06 2krr s ASP 86 Cb 0.34 -1.17 1.68 0.00 1.01 0.00 0.00 42.92 44.78 2krr s ASP 86 CO -0.07 -1.22 2.09 0.28 0.21 0.00 0.00 175.17 176.45 2krr h SER 87 N -0.14 0.00 -0.02 0.27 0.02 -2.05 0.47 113.55 112.10 2krr h SER 87 Ca -0.44 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.52 2krr h SER 87 Cb 1.29 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.83 2krr h SER 87 CO 0.57 0.00 0.06 0.11 -1.14 0.00 0.00 176.83 176.43 2krr h LYS 88 N 0.00 0.00 -0.58 3.45 1.57 -2.02 -1.70 116.57 117.29 2krr h LYS 88 Ca 0.09 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.03 2krr h LYS 88 Cb 0.53 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2krr h LYS 88 CO -0.00 0.00 0.50 1.57 -0.57 0.00 0.00 179.45 180.95 2krr h LYS 89 N 0.00 0.00 0.07 3.15 2.10 -1.27 0.13 116.57 120.76 2krr h LYS 89 Ca 0.01 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.68 2krr h LYS 89 Cb 0.12 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.40 2krr h LYS 89 CO -0.00 0.00 -0.48 0.93 -2.00 0.00 0.00 179.45 177.90 2krr h GLU 90 N 0.00 -0.65 0.00 0.07 5.08 -1.53 -1.38 114.58 116.17 2krr h GLU 90 Ca 0.28 0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.51 2krr h GLU 90 Cb 1.28 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.65 2krr h GLU 90 CO -0.00 -0.43 -1.11 -0.09 -1.00 0.00 0.00 179.01 176.37 2krr h ARG 91 N -0.67 0.00 0.00 2.33 2.43 -1.62 -3.29 114.38 113.56 2krr h ARG 91 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2krr h ARG 91 Cb 0.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2krr h ARG 91 CO -0.30 0.48 0.00 0.22 -1.51 0.00 0.00 179.97 178.86 2krr h ASP 92 N 0.00 0.00 0.47 -3.80 3.58 -0.52 -1.11 116.42 115.03 2krr h ASP 92 Ca -0.11 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.11 2krr h ASP 92 Cb 1.60 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.61 2krr h ASP 92 CO 0.07 0.00 -1.71 0.00 -2.88 0.00 0.00 179.24 174.72 2krr n ALA 93 N -1.87 1.78 0.02 -0.78 0.00 -0.54 -1.95 120.51 117.17 2krr n ALA 93 Ca -0.01 -0.75 -0.11 0.00 0.00 0.00 0.00 53.44 52.57 2krr n ALA 93 Cb 0.09 -0.78 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 2krr n ALA 93 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2krr h ARG 94 N 0.00 -0.40 -5.91 0.00 1.12 -1.32 -3.39 114.38 104.49 2krr h ARG 94 Ca -0.26 0.03 -0.62 0.00 -1.11 0.00 0.00 59.98 58.02 2krr h ARG 94 Cb 1.79 0.09 -0.06 0.00 -0.01 0.00 0.00 29.97 31.79 2krr h ARG 94 CO 0.05 -0.27 -0.32 0.99 -3.11 0.00 0.00 179.97 177.31 2krr s THR 95 N -6.00 5.22 0.30 0.20 2.01 -1.24 -2.99 115.64 113.14 2krr s THR 95 Ca -0.15 0.45 0.09 0.00 0.31 0.00 0.00 61.69 62.39 2krr s THR 95 Cb 0.10 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 2krr s THR 95 CO 0.66 0.48 0.03 -0.76 -0.69 0.00 0.00 174.62 174.34 2krr s LEU 96 N -1.39 3.14 0.02 4.42 2.01 0.91 -2.48 118.68 125.32 2krr s LEU 96 Ca 0.24 -0.77 0.06 0.00 0.01 0.00 0.00 54.13 53.68 2krr s LEU 96 Cb -0.14 -1.62 -0.02 0.00 0.01 0.00 0.00 46.19 44.42 2krr s LEU 96 CO 0.13 -0.12 -0.19 -0.22 1.01 0.00 0.00 176.35 176.96 2krr s LEU 97 N -3.72 2.12 -0.23 1.79 2.96 0.12 -1.23 118.68 120.50 2krr s LEU 97 Ca 0.34 -0.44 -0.06 0.00 -0.22 0.00 0.00 54.13 53.74 2krr s LEU 97 Cb -0.04 -0.89 -0.03 0.00 0.50 0.00 0.00 46.19 45.73 2krr s LEU 97 CO 0.20 0.16 0.03 0.00 -1.32 0.00 0.00 176.35 175.43 2krr s ALA 98 N -0.67 3.09 0.41 5.97 0.00 0.60 -0.16 121.76 130.99 2krr s ALA 98 Ca 0.06 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 51.00 2krr s ALA 98 Cb -0.08 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 2krr s ALA 98 CO 0.01 -0.33 0.05 0.15 0.00 0.00 0.00 175.76 175.65 2krr s LYS 99 N 1.31 1.92 -1.00 0.00 -0.14 -0.44 -2.43 119.74 118.96 2krr s LYS 99 Ca 0.04 -2.14 -0.04 0.00 -1.36 0.00 0.00 55.97 52.47 2krr s LYS 99 Cb -0.15 -1.11 0.00 0.00 -1.68 0.00 0.00 37.83 34.90 2krr s LYS 99 CO 0.02 -0.28 0.86 -1.71 -0.76 0.00 0.00 175.35 173.48 2krr n ASN 100 N -1.05 -4.02 -4.44 2.83 5.15 -1.26 -2.34 115.26 110.12 2krr n ASN 100 Ca -0.08 -0.44 -0.30 0.00 -0.60 0.00 0.00 54.58 53.16 2krr n ASN 100 Cb 0.66 -4.03 -0.13 0.00 -0.53 0.00 0.00 39.78 35.76 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 -5.66 2.55 0.91 1.20 1.43 -1.26 -4.22 118.68 113.62 2krr s LEU 101 Ca 0.27 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.76 2krr s LEU 101 Cb -0.12 -1.47 0.13 0.00 0.03 0.00 0.00 46.19 44.76 2krr s LEU 101 CO 0.56 0.24 1.09 -2.16 0.23 0.00 0.00 176.35 176.31 2krr s PRO 102 N -1.57 1.17 0.00 1.29 0.04 -1.26 -4.62 135.00 130.06 2krr s PRO 102 Ca 0.15 0.78 0.26 0.00 0.04 0.00 0.00 61.00 62.23 2krr s PRO 102 Cb -0.10 -1.80 1.37 0.00 0.04 0.00 0.00 34.50 34.00 2krr s PRO 102 CO 0.06 -2.29 1.90 0.66 0.04 0.00 0.00 177.00 177.36 2krr n TYR 103 N -3.91 0.00 -1.05 0.56 4.01 -1.26 -2.72 117.16 112.78 2krr n TYR 103 Ca 0.07 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.90 2krr n TYR 103 Cb 0.55 -0.23 0.20 0.00 -0.31 0.00 0.00 39.34 39.55 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 -1.23 2.02 -3.05 -0.72 2.85 -1.26 -2.30 118.16 114.46 2krr n LYS 104 Ca 0.14 -2.72 -0.29 0.00 -1.05 0.00 0.00 58.31 54.39 2krr n LYS 104 Cb 0.19 -1.66 -0.03 0.00 -0.65 0.00 0.00 35.03 32.88 2krr n LYS 104 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2krr s VAL 105 N -2.87 4.91 0.17 0.58 0.11 -1.10 -5.01 120.40 117.19 2krr s VAL 105 Ca 0.37 0.29 0.03 0.00 -2.93 0.00 0.00 61.98 59.74 2krr s VAL 105 Cb 0.31 -3.75 -0.05 0.00 -1.53 0.00 0.00 36.38 31.36 2krr s VAL 105 CO 0.05 -0.48 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.42 2krr s THR 106 N -2.29 0.86 0.26 5.04 2.01 -1.26 -4.52 115.64 115.74 2krr s THR 106 Ca 0.47 -2.00 -0.04 0.00 0.31 0.00 0.00 61.69 60.43 2krr s THR 106 Cb -0.10 -2.03 0.30 0.00 0.01 0.00 0.00 72.50 70.67 2krr s THR 106 CO 0.32 -0.57 1.63 1.56 -0.69 0.00 0.00 174.62 176.88 2krr h GLN 107 N 2.71 0.11 -1.01 4.92 4.20 -1.98 0.44 115.11 124.50 2krr h GLN 107 Ca -0.37 -0.01 0.24 0.00 0.06 0.00 0.00 58.65 58.57 2krr h GLN 107 Cb 1.20 -0.03 -0.11 0.00 0.30 0.00 0.00 27.48 28.84 2krr h GLN 107 CO 0.63 0.08 0.61 0.22 -0.67 0.00 0.00 178.83 179.70 2krr h ASP 108 N 0.12 0.65 -0.94 1.46 1.82 -1.97 0.33 116.42 117.89 2krr h ASP 108 Ca 0.46 0.12 0.22 0.00 -0.39 0.00 0.00 57.03 57.44 2krr h ASP 108 Cb 0.86 0.01 -0.07 0.00 0.68 0.00 0.00 39.33 40.81 2krr h ASP 108 CO -0.69 0.13 0.62 1.05 -1.61 0.00 0.00 179.24 178.74 2krr h GLU 109 N 0.58 0.37 0.05 0.28 -0.00 -0.51 -0.07 114.58 115.27 2krr h GLU 109 Ca 0.62 -0.02 -0.30 0.00 -0.00 0.00 0.00 59.36 59.65 2krr h GLU 109 Cb 1.22 -0.08 -0.03 0.00 -0.00 0.00 0.00 28.75 29.85 2krr h GLU 109 CO -0.42 0.24 -1.70 -0.07 -0.00 0.00 0.00 179.01 177.07 2krr h LEU 110 N 0.38 0.15 -0.61 3.06 3.38 -0.46 -3.32 115.31 117.90 2krr h LEU 110 Ca 0.49 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2krr h LEU 110 Cb 1.28 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2krr h LEU 110 CO -0.19 1.26 0.00 2.29 0.09 0.00 0.00 178.44 181.89 2krr n LYS 111 N -3.22 0.09 0.00 1.13 2.85 -0.14 -1.33 118.16 117.53 2krr n LYS 111 Ca -0.19 0.48 0.12 0.00 -1.05 0.00 0.00 58.31 57.67 2krr n LYS 111 Cb 1.04 -1.73 0.61 0.00 -0.65 0.00 0.00 35.03 34.30 2krr n LYS 111 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2krr n GLU 112 N -1.91 0.32 0.00 -1.58 1.02 -0.62 -3.01 120.64 114.86 2krr n GLU 112 Ca 0.01 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2krr n GLU 112 Cb 0.10 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 2krr n GLU 112 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2krr n VAL 113 N -1.31 0.00 -1.31 2.62 0.24 -0.44 -4.84 118.33 113.29 2krr n VAL 113 Ca 0.11 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.17 2krr n VAL 113 Cb 0.21 -0.83 -0.02 0.00 -1.47 0.00 0.00 33.84 31.72 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 -2.39 1.64 0.29 6.34 -1.74 -1.07 -4.57 117.46 115.96 2krr n PHE 114 Ca 0.00 -1.99 0.20 0.00 -0.56 0.00 0.00 57.45 55.10 2krr n PHE 114 Cb 0.00 -1.26 1.03 0.00 1.52 0.00 0.00 39.48 40.78 2krr n PHE 114 CO 0.00 0.00 0.00 1.49 -0.56 0.00 0.00 176.76 177.69 2krr h GLU 115 N 2.51 0.00 0.00 3.97 4.81 -1.74 0.10 114.58 124.24 2krr h GLU 115 Ca 0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 2krr h GLU 115 Cb 0.78 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.16 2krr h GLU 115 CO 0.87 0.00 0.00 0.22 -0.73 0.00 0.00 179.01 179.37 2krr h ASP 116 N 0.00 0.00 -2.73 1.04 3.58 -1.88 -3.47 116.42 112.97 2krr h ASP 116 Ca 0.00 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.91 2krr h ASP 116 Cb 0.03 0.00 0.23 0.00 1.72 0.00 0.00 39.33 41.31 2krr h ASP 116 CO 0.00 0.00 -1.19 0.00 -2.88 0.00 0.00 179.24 175.17 2krr n ALA 117 N -1.84 -3.99 0.18 -0.78 0.00 0.35 -4.94 120.51 109.49 2krr n ALA 117 Ca 0.05 -0.66 -0.07 0.00 0.00 0.00 0.00 53.44 52.76 2krr n ALA 117 Cb 0.41 -1.48 -0.04 0.00 0.00 0.00 0.00 19.45 18.35 2krr n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2krr h ALA 118 N -1.30 -0.73 -3.05 0.00 0.00 -1.87 -3.47 119.26 108.83 2krr h ALA 118 Ca -0.44 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.18 2krr h ALA 118 Cb 1.29 0.19 -0.22 0.00 0.00 0.00 0.00 17.79 19.05 2krr h ALA 118 CO 0.29 -0.70 -0.70 -1.83 0.00 0.00 0.00 179.25 176.31 2krr s GLU 119 N -3.39 0.30 -0.03 0.00 -1.05 -0.76 -5.02 118.70 108.75 2krr s GLU 119 Ca -0.07 -0.57 0.07 0.00 -0.15 0.00 0.00 54.97 54.24 2krr s GLU 119 Cb 0.01 0.07 -0.02 0.00 -0.44 0.00 0.00 34.13 33.75 2krr s GLU 119 CO 0.21 -0.04 -0.24 0.42 0.95 0.00 0.00 175.26 176.56 2krr s ILE 120 N -1.34 1.91 -0.21 1.83 1.09 -1.26 -2.04 121.20 121.18 2krr s ILE 120 Ca -0.14 -1.03 -0.04 0.00 -1.10 0.00 0.00 60.65 58.34 2krr s ILE 120 Cb -0.09 -1.59 0.09 0.00 -1.06 0.00 0.00 42.46 39.81 2krr s ILE 120 CO -0.01 0.54 0.21 -0.13 -0.10 0.00 0.00 174.94 175.45 2krr s ARG 121 N -0.47 0.18 0.24 2.79 1.81 0.37 -5.01 118.95 118.87 2krr s ARG 121 Ca 0.07 0.15 -0.12 0.00 -1.72 0.00 0.00 55.73 54.10 2krr s ARG 121 Cb -0.10 -1.25 -0.08 0.00 -0.45 0.00 0.00 34.95 33.07 2krr s ARG 121 CO -0.00 -0.68 0.60 -1.17 -0.68 0.00 0.00 175.30 173.37 2krr s LEU 122 N 2.30 4.18 -0.44 2.53 2.96 -1.26 0.33 118.68 129.28 2krr s LEU 122 Ca 0.07 1.06 -0.08 0.00 -0.22 0.00 0.00 54.13 54.95 2krr s LEU 122 Cb -0.16 -3.70 0.10 0.00 0.50 0.00 0.00 46.19 42.94 2krr s LEU 122 CO -0.13 -0.07 0.29 -0.69 -1.32 0.00 0.00 176.35 174.44 2krr s VAL 123 N -1.78 4.11 0.11 1.68 1.01 -1.01 -4.88 120.40 119.65 2krr s VAL 123 Ca 0.47 -1.65 0.04 0.00 0.00 0.00 0.00 61.98 60.85 2krr s VAL 123 Cb -0.12 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2krr s VAL 123 CO 0.20 -0.65 -0.11 -0.94 0.00 0.00 0.00 175.10 173.60 2krr s SER 124 N 2.35 1.66 -0.05 3.32 1.04 -1.26 -2.19 113.70 118.57 2krr s SER 124 Ca 0.05 -0.83 0.02 0.00 0.48 0.00 0.00 55.95 55.66 2krr s SER 124 Cb -0.24 -0.02 0.02 0.00 0.10 0.00 0.00 66.02 65.87 2krr s SER 124 CO 0.00 -0.23 -0.08 -0.75 0.98 0.00 0.00 173.24 173.16 2krr s LYS 125 N -2.86 1.22 -1.21 4.02 2.20 0.86 -4.74 119.74 119.23 2krr s LYS 125 Ca 0.08 -0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.44 2krr s LYS 125 Cb -0.03 -1.09 0.00 0.00 -1.51 0.00 0.00 37.83 35.21 2krr s LYS 125 CO 0.01 -0.03 0.00 -3.47 -0.36 0.00 0.00 175.35 171.50 2krr n ASP 126 N 3.93 -5.06 0.00 1.43 2.03 -1.26 -1.63 116.55 115.99 2krr n ASP 126 Ca -0.24 0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2krr n ASP 126 Cb 0.51 -3.56 0.00 0.00 -0.72 0.00 0.00 41.12 37.35 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 -0.67 0.77 3.03 0.27 0.00 -1.26 -5.08 105.19 102.25 2krr n GLY 127 Ca -0.11 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 2krr n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2krr s LYS 128 N -0.96 1.55 -0.48 1.61 -0.14 -0.65 -5.06 119.74 115.62 2krr s LYS 128 Ca 0.00 -0.41 -0.27 0.00 -1.36 0.00 0.00 55.97 53.93 2krr s LYS 128 Cb 0.00 -1.32 -0.02 0.00 -1.68 0.00 0.00 37.83 34.82 2krr s LYS 128 CO 0.00 0.06 1.78 0.45 -0.76 0.00 0.00 175.35 176.89 2krr s SER 129 N 0.52 5.64 0.60 2.83 0.15 -0.97 -0.10 113.70 122.36 2krr s SER 129 Ca -0.11 0.76 0.29 0.00 0.70 0.00 0.00 55.95 57.59 2krr s SER 129 Cb -0.14 -2.53 1.38 0.00 -1.71 0.00 0.00 66.02 63.02 2krr s SER 129 CO 0.03 -2.01 1.78 0.11 1.20 0.00 0.00 173.24 174.35 2krr h LYS 130 N 13.64 0.00 0.00 5.44 1.79 -1.75 -3.37 116.57 132.32 2krr h LYS 130 Ca -0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 2krr h LYS 130 Cb 1.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 2krr h LYS 130 CO 1.13 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.91 2krr n GLY 131 N -1.54 1.99 3.64 3.86 0.00 -1.26 -4.96 105.19 106.93 2krr n GLY 131 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 0.01 -0.30 -0.61 -4.36 -1.26 -4.41 121.20 108.27 2krr s ILE 132 Ca 0.00 -1.00 -0.11 0.00 -0.26 0.00 0.00 60.65 59.27 2krr s ILE 132 Cb 0.00 -1.87 0.15 0.00 1.25 0.00 0.00 42.46 41.99 2krr s ILE 132 CO 0.00 -0.04 0.81 0.00 0.24 0.00 0.00 174.94 175.95 2krr s ALA 133 N -3.92 -2.43 0.11 2.27 0.00 -1.02 -2.41 121.76 114.36 2krr s ALA 133 Ca 0.13 2.12 -0.18 0.00 0.00 0.00 0.00 51.96 54.04 2krr s ALA 133 Cb -0.02 -1.97 -0.07 0.00 0.00 0.00 0.00 23.12 21.05 2krr s ALA 133 CO 0.03 -1.01 0.58 0.71 0.00 0.00 0.00 175.76 176.08 2krr s TYR 134 N 2.71 3.74 -0.02 0.00 2.02 0.15 -0.29 117.35 125.65 2krr s TYR 134 Ca -0.02 1.23 0.00 0.00 -0.37 0.00 0.00 57.07 57.92 2krr s TYR 134 Cb -0.10 -2.48 0.02 0.00 -0.40 0.00 0.00 41.96 39.01 2krr s TYR 134 CO -0.18 0.52 0.01 0.96 -1.57 0.00 0.00 175.55 175.28 2krr s ILE 135 N -1.25 0.12 -0.45 2.71 -0.00 -0.36 -0.47 121.20 121.49 2krr s ILE 135 Ca 0.33 0.10 -0.12 0.00 -0.00 0.00 0.00 60.65 60.96 2krr s ILE 135 Cb -0.18 -0.21 0.08 0.00 -0.00 0.00 0.00 42.46 42.15 2krr s ILE 135 CO 0.19 0.12 0.34 -1.61 -0.00 0.00 0.00 174.94 173.98 2krr s GLU 136 N 0.93 2.77 0.90 0.37 0.41 -0.87 -0.06 118.70 123.15 2krr s GLU 136 Ca -0.09 -1.46 -0.13 0.00 -0.41 0.00 0.00 54.97 52.88 2krr s GLU 136 Cb -0.12 -3.96 0.14 0.00 -1.78 0.00 0.00 34.13 28.40 2krr s GLU 136 CO -0.02 -1.03 1.18 -0.06 -0.49 0.00 0.00 175.26 174.85 2krr s PHE 137 N 1.52 2.37 0.32 1.61 0.40 -1.16 -1.83 117.98 121.21 2krr s PHE 137 Ca 0.04 0.70 0.11 0.00 -0.60 0.00 0.00 56.93 57.17 2krr s PHE 137 Cb -0.24 -3.56 0.53 0.00 0.51 0.00 0.00 43.02 40.26 2krr s PHE 137 CO 0.04 -2.31 1.72 0.87 0.70 0.00 0.00 175.22 176.23 2krr h LYS 138 N -1.44 0.05 -1.89 0.44 6.56 -1.94 -3.45 116.57 114.90 2krr h LYS 138 Ca -0.48 -0.03 0.05 0.00 -1.06 0.00 0.00 60.65 59.14 2krr h LYS 138 Cb 1.31 0.00 -0.20 0.00 -0.57 0.00 0.00 32.23 32.77 2krr h LYS 138 CO 0.57 0.51 0.43 -0.08 -2.06 0.00 0.00 179.45 178.82 2krr s THR 139 N -3.97 0.00 0.30 -0.16 -1.32 -1.26 -5.01 115.64 104.21 2krr s THR 139 Ca -0.03 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.50 2krr s THR 139 Cb 0.14 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.42 2krr s THR 139 CO 0.75 0.00 1.78 1.05 -2.21 0.00 0.00 174.62 175.99 2krr h GLU 140 N 2.53 0.75 0.00 7.08 4.11 -1.79 0.39 114.58 127.65 2krr h GLU 140 Ca -0.22 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.14 2krr h GLU 140 Cb 1.18 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 2krr h GLU 140 CO 0.33 0.49 -0.12 0.00 0.07 0.00 0.00 179.01 179.79 2krr h ALA 141 N 1.62 1.69 0.15 1.06 0.00 -1.95 0.43 119.26 122.26 2krr h ALA 141 Ca 0.56 -0.11 -0.33 0.00 0.00 0.00 0.00 54.91 55.03 2krr h ALA 141 Cb 0.82 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2krr h ALA 141 CO -0.37 0.15 -1.63 0.22 0.00 0.00 0.00 179.25 177.62 2krr h ASP 142 N 0.00 0.49 0.19 0.00 3.58 -0.74 -3.19 116.42 116.75 2krr h ASP 142 Ca -0.00 -0.70 -0.01 0.00 0.42 0.00 0.00 57.03 56.74 2krr h ASP 142 Cb 0.23 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2krr h ASP 142 CO 0.02 1.59 -0.09 0.00 -2.88 0.00 0.00 179.24 177.88 2krr h ALA 143 N 0.34 -0.25 -0.57 -0.78 0.00 -0.44 -0.21 119.26 117.34 2krr h ALA 143 Ca -0.29 -0.06 0.17 0.00 0.00 0.00 0.00 54.91 54.73 2krr h ALA 143 Cb 2.06 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.92 2krr h ALA 143 CO 0.17 -0.23 0.51 1.05 0.00 0.00 0.00 179.25 180.75 2krr h GLU 144 N -1.07 0.00 0.00 0.00 4.11 -0.33 0.44 114.58 117.73 2krr h GLU 144 Ca -0.03 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.31 2krr h GLU 144 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2krr h GLU 144 CO 0.04 0.00 -0.55 -0.22 0.07 0.00 0.00 179.01 178.35 2krr h LYS 145 N 0.00 0.00 -0.17 1.06 3.64 -1.61 -3.34 116.57 116.14 2krr h LYS 145 Ca 0.27 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.70 2krr h LYS 145 Cb 1.30 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 2krr h LYS 145 CO -0.00 0.92 0.17 1.15 -2.27 0.00 0.00 179.45 179.42 2krr h THR 146 N -1.00 0.56 -0.08 1.00 2.02 -0.08 -1.65 112.91 113.67 2krr h THR 146 Ca -0.15 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.06 2krr h THR 146 Cb 1.06 0.87 -0.06 0.00 -1.74 0.00 0.00 68.15 68.28 2krr h THR 146 CO -0.09 0.00 -0.50 0.15 0.37 0.00 0.00 175.52 175.45 2krr h PHE 147 N 0.00 -1.45 0.00 3.16 3.57 -1.07 0.23 116.94 121.38 2krr h PHE 147 Ca 0.08 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 2krr h PHE 147 Cb 0.43 0.64 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 2krr h PHE 147 CO 0.00 -0.53 -0.33 1.05 -2.23 0.00 0.00 178.31 176.26 2krr h GLU 148 N -0.59 0.00 0.00 1.11 4.11 -1.68 0.14 114.58 117.67 2krr h GLU 148 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 2krr h GLU 148 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2krr h GLU 148 CO -0.39 0.14 0.00 1.49 0.07 0.00 0.00 179.01 180.32 2krr h GLU 149 N 0.00 0.00 0.00 1.06 4.81 -0.57 -3.27 114.58 116.61 2krr h GLU 149 Ca -0.01 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 2krr h GLU 149 Cb 1.13 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2krr h GLU 149 CO 0.02 0.00 -1.17 1.63 -0.73 0.00 0.00 179.01 178.76 2krr n LYS 150 N -3.02 3.47 -1.54 1.92 4.01 0.74 -5.02 118.16 118.72 2krr n LYS 150 Ca 0.01 -0.00 -0.44 0.00 -0.51 0.00 0.00 58.31 57.37 2krr n LYS 150 Cb 0.33 -1.06 -0.01 0.00 -0.51 0.00 0.00 35.03 33.78 2krr n LYS 150 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 2krr n GLN 151 N -2.08 1.04 0.00 1.97 -0.06 0.48 -3.74 117.38 114.99 2krr n GLN 151 Ca -0.04 0.37 0.00 0.00 -2.00 0.00 0.00 57.00 55.33 2krr n GLN 151 Cb 0.56 -1.70 0.00 0.00 -4.06 0.00 0.00 30.24 25.05 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 1.41 1.14 3.90 1.69 0.00 -1.26 -4.93 105.19 107.13 2krr n GLY 152 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 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 3.91 -0.05 2.61 -1.32 -1.25 -5.04 115.64 112.51 2krr s THR 153 Ca 0.00 0.30 0.05 0.00 -1.21 0.00 0.00 61.69 60.82 2krr s THR 153 Cb 0.00 -3.57 -0.00 0.00 -1.51 0.00 0.00 72.50 67.41 2krr s THR 153 CO 0.00 -0.66 -0.19 -1.61 -2.21 0.00 0.00 174.62 169.95 2krr s GLU 154 N -5.10 1.97 -0.07 7.08 2.02 -1.26 -3.49 118.70 119.85 2krr s GLU 154 Ca 0.54 -0.67 -0.04 0.00 0.02 0.00 0.00 54.97 54.83 2krr s GLU 154 Cb -0.11 -1.69 0.03 0.00 0.10 0.00 0.00 34.13 32.47 2krr s GLU 154 CO 0.48 0.26 0.18 0.42 0.02 0.00 0.00 175.26 176.62 2krr s ILE 155 N 0.04 -0.03 -1.80 -1.63 1.09 0.98 -4.84 121.20 115.02 2krr s ILE 155 Ca -0.05 0.11 0.00 0.00 -1.10 0.00 0.00 60.65 59.62 2krr s ILE 155 Cb -0.12 -0.28 0.00 0.00 -1.06 0.00 0.00 42.46 41.00 2krr s ILE 155 CO 0.03 0.05 0.00 -0.67 -0.10 0.00 0.00 174.94 174.24 2krr n ASP 156 N 3.82 -5.07 0.00 3.58 2.03 -1.26 -1.76 116.55 117.89 2krr n ASP 156 Ca -0.22 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.48 2krr n ASP 156 Cb 0.54 -4.08 0.00 0.00 -0.72 0.00 0.00 41.12 36.86 2krr n ASP 156 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2krr n GLY 157 N -0.88 3.02 3.07 0.27 0.00 -1.26 -5.02 105.19 104.39 2krr n GLY 157 Ca -0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.54 0.39 -4.05 1.61 1.85 -0.72 -5.07 116.66 110.13 2krr n ARG 158 Ca 0.00 -2.32 -0.33 0.00 -1.00 0.00 0.00 57.85 54.20 2krr n ARG 158 Cb 0.00 -0.34 -0.15 0.00 -1.05 0.00 0.00 32.46 30.91 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 -4.01 3.78 0.23 2.89 0.01 -1.26 -0.01 113.70 115.32 2krr s SER 159 Ca 0.50 -0.83 -0.30 0.00 1.31 0.00 0.00 55.95 56.63 2krr s SER 159 Cb -0.03 -1.56 -0.09 0.00 0.21 0.00 0.00 66.02 64.55 2krr s SER 159 CO 0.32 -0.07 0.99 0.27 0.41 0.00 0.00 173.24 175.16 2krr s ILE 160 N 1.28 3.99 0.07 1.44 -4.36 -1.23 -4.91 121.20 117.47 2krr s ILE 160 Ca 0.01 1.92 0.10 0.00 -0.26 0.00 0.00 60.65 62.42 2krr s ILE 160 Cb -0.15 -4.22 -0.03 0.00 1.25 0.00 0.00 42.46 39.30 2krr s ILE 160 CO -0.08 0.43 -0.26 -0.44 0.24 0.00 0.00 174.94 174.82 2krr s SER 161 N -0.87 3.25 0.07 4.36 0.01 -0.99 -4.50 113.70 115.03 2krr s SER 161 Ca 0.43 -0.62 0.05 0.00 1.31 0.00 0.00 55.95 57.11 2krr s SER 161 Cb -0.27 -0.29 -0.04 0.00 0.21 0.00 0.00 66.02 65.63 2krr s SER 161 CO 0.34 0.24 -0.04 -0.76 0.41 0.00 0.00 173.24 173.43 2krr s LEU 162 N -1.48 3.31 -0.14 2.44 1.43 -1.26 -1.33 118.68 121.66 2krr s LEU 162 Ca 0.13 -0.20 -0.06 0.00 -1.03 0.00 0.00 54.13 52.96 2krr s LEU 162 Cb -0.10 -2.02 0.06 0.00 0.03 0.00 0.00 46.19 44.16 2krr s LEU 162 CO 0.03 0.21 0.31 -0.31 0.23 0.00 0.00 176.35 176.82 2krr s TYR 163 N -1.20 -0.48 0.27 0.29 1.51 0.77 -4.96 117.35 113.54 2krr s TYR 163 Ca 0.22 1.05 -0.29 0.00 -1.01 0.00 0.00 57.07 57.04 2krr s TYR 163 Cb -0.11 0.09 -0.10 0.00 -0.11 0.00 0.00 41.96 41.73 2krr s TYR 163 CO 0.14 -0.33 1.27 1.52 -1.11 0.00 0.00 175.55 177.03 2krr s TYR 164 N 1.92 3.23 0.00 2.71 -0.85 -1.26 0.13 117.35 123.23 2krr s TYR 164 Ca -0.04 1.40 0.00 0.00 -0.52 0.00 0.00 57.07 57.91 2krr s TYR 164 Cb -0.11 -3.57 0.00 0.00 0.38 0.00 0.00 41.96 38.66 2krr s TYR 164 CO -0.10 -1.60 0.00 -2.37 -1.52 0.00 0.00 175.55 169.96 2krr n THR 165 N 1.54 0.00 -3.12 -3.49 5.66 -0.92 -4.84 114.28 109.11 2krr n THR 165 Ca 0.02 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.77 2krr n THR 165 Cb 0.43 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.16 2krr n THR 165 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2krr n GLY 166 N 0.00 4.72 3.44 1.09 0.00 -0.82 -4.69 105.19 108.93 2krr n GLY 166 Ca 0.00 -2.41 -0.33 0.00 0.00 0.00 0.00 46.02 43.28 2krr n GLY 166 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2krr n GLU 167 N 0.25 -0.35 -1.21 1.61 -0.58 -1.26 -4.06 120.64 115.04 2krr n GLU 167 Ca 0.28 -0.06 -0.30 0.00 -0.42 0.00 0.00 57.16 56.67 2krr n GLU 167 Cb 0.47 -1.92 0.13 0.00 -0.57 0.00 0.00 31.44 29.56 2krr n GLU 167 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2krr s PRO 168 N -3.75 1.35 0.01 3.49 0.04 -1.26 -4.98 135.00 129.89 2krr s PRO 168 Ca 0.58 0.85 0.22 0.00 0.04 0.00 0.00 61.00 62.69 2krr s PRO 168 Cb -0.21 -1.82 -0.21 0.00 0.04 0.00 0.00 34.50 32.30 2krr s PRO 168 CO 0.66 -2.18 0.73 1.63 0.04 0.00 0.00 177.00 177.89 2krr n LYS 169 N -3.85 0.41 0.00 4.56 4.76 -1.26 -4.97 118.16 117.82 2krr n LYS 169 Ca 0.07 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2krr n LYS 169 Cb 0.55 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 2krr n LYS 169 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2krr n GLY 170 N 1.34 1.22 0.30 0.72 0.00 -1.26 -5.00 105.19 102.50 2krr n GLY 170 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 0.44 0.89 0.00 1.61 4.11 -2.03 -3.33 114.58 116.28 2krr h GLU 171 Ca 0.00 -0.21 0.00 0.00 0.07 0.00 0.00 59.36 59.22 2krr h GLU 171 Cb 0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2krr h GLU 171 CO 0.00 0.83 -0.40 0.41 0.07 0.00 0.00 179.01 179.93 2krr n GLY 172 N -0.72 0.91 0.15 1.06 0.00 -1.26 -4.85 105.19 100.47 2krr n GLY 172 Ca 0.04 -0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 0.51 0.00 0.99 3.38 -1.97 -3.54 115.31 114.68 2krr h LEU 173 Ca 0.00 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.32 2krr h LEU 173 Cb 1.31 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2krr h LEU 173 CO 0.00 1.08 0.00 1.21 0.09 0.00 0.00 178.44 180.82