#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krr n THR 2 N 0.00 0.00 0.40 2.61 -1.04 -1.26 -4.28 114.28 110.71 2krr n THR 2 Ca 0.00 0.98 -0.19 0.00 -2.04 0.00 0.00 64.05 62.80 2krr n THR 2 Cb 0.00 -1.86 -0.09 0.00 -1.82 0.00 0.00 70.33 66.55 2krr n THR 2 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2krr h GLU 3 N 0.00 -1.09 -7.38 -2.82 3.07 -2.09 -3.44 114.58 100.83 2krr h GLU 3 Ca 0.00 0.07 -0.43 0.00 -0.50 0.00 0.00 59.36 58.50 2krr h GLU 3 Cb 0.00 0.25 0.18 0.00 -0.84 0.00 0.00 28.75 28.33 2krr h GLU 3 CO 0.00 -0.73 0.16 -1.25 -1.40 0.00 0.00 179.01 175.79 2krr s PRO 4 N -5.75 -0.47 -0.13 2.33 0.04 -1.26 -5.01 135.00 124.74 2krr s PRO 4 Ca -0.18 0.20 -0.12 0.00 0.04 0.00 0.00 61.00 60.94 2krr s PRO 4 Cb 0.03 -1.66 -0.25 0.00 0.04 0.00 0.00 34.50 32.66 2krr s PRO 4 CO 0.57 -3.27 0.40 1.79 0.04 0.00 0.00 177.00 176.53 2krr h THR 5 N -2.27 0.80 -1.74 1.26 1.35 -1.86 -3.45 112.91 107.00 2krr h THR 5 Ca -0.50 -2.33 -0.60 0.00 -0.55 0.00 0.00 66.41 62.43 2krr h THR 5 Cb 1.31 2.51 -0.13 0.00 -1.73 0.00 0.00 68.15 70.11 2krr h THR 5 CO 0.46 0.73 -0.53 0.28 -0.25 0.00 0.00 175.52 176.21 2krr s THR 6 N -2.50 0.97 -0.40 6.82 -1.32 -1.26 -4.98 115.64 112.96 2krr s THR 6 Ca -0.23 -2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 58.24 2krr s THR 6 Cb 0.06 -2.37 0.29 0.00 -1.51 0.00 0.00 72.50 68.97 2krr s THR 6 CO 0.74 0.00 1.98 0.00 -2.21 0.00 0.00 174.62 175.13 2krr n ALA 7 N -1.03 5.35 -3.40 11.08 0.00 -1.26 -4.59 120.51 126.66 2krr n ALA 7 Ca -0.10 -2.13 -0.26 0.00 0.00 0.00 0.00 53.44 50.95 2krr n ALA 7 Cb 0.66 -1.46 -0.09 0.00 0.00 0.00 0.00 19.45 18.55 2krr n ALA 7 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2krr n PHE 8 N -0.06 0.11 -4.41 0.00 3.72 -1.26 -4.99 117.46 110.57 2krr n PHE 8 Ca 0.39 -3.57 -0.21 0.00 -0.05 0.00 0.00 57.45 54.01 2krr n PHE 8 Cb 0.67 -0.09 -0.10 0.00 -0.94 0.00 0.00 39.48 39.01 2krr n PHE 8 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2krr s ASN 9 N -0.69 2.95 0.02 4.37 0.02 -1.26 -0.33 114.94 120.02 2krr s ASN 9 Ca 0.33 -1.08 -0.06 0.00 -1.02 0.00 0.00 52.86 51.03 2krr s ASN 9 Cb 0.08 -0.20 -0.00 0.00 0.02 0.00 0.00 41.25 41.14 2krr s ASN 9 CO -0.16 -0.17 0.11 -1.48 0.02 0.00 0.00 177.10 175.42 2krr s LEU 10 N -3.42 1.69 -0.36 0.60 0.05 -0.36 -4.85 118.68 112.03 2krr s LEU 10 Ca 0.27 -0.35 -0.23 0.00 0.05 0.00 0.00 54.13 53.87 2krr s LEU 10 Cb -0.00 0.61 0.01 0.00 -2.05 0.00 0.00 46.19 44.75 2krr s LEU 10 CO 0.11 -0.42 0.77 0.12 -0.55 0.00 0.00 176.35 176.38 2krr s PHE 11 N -1.84 3.12 0.21 3.48 2.19 0.26 -1.71 117.98 123.69 2krr s PHE 11 Ca -0.11 0.56 0.05 0.00 0.33 0.00 0.00 56.93 57.76 2krr s PHE 11 Cb -0.06 -3.37 -0.03 0.00 -1.31 0.00 0.00 43.02 38.26 2krr s PHE 11 CO -0.01 -0.71 0.25 0.14 1.83 0.00 0.00 175.22 176.73 2krr s VAL 12 N 3.06 4.91 0.28 3.12 -7.23 -0.20 0.76 120.40 125.10 2krr s VAL 12 Ca 0.31 -1.04 -0.09 0.00 -1.81 0.00 0.00 61.98 59.35 2krr s VAL 12 Cb -0.13 -3.60 -0.00 0.00 0.56 0.00 0.00 36.38 33.21 2krr s VAL 12 CO 0.16 -0.23 0.46 -0.83 -0.31 0.00 0.00 175.10 174.35 2krr s GLY 13 N -3.59 0.91 -1.13 2.32 0.00 0.89 -1.51 107.32 105.22 2krr s GLY 13 Ca 0.33 -1.15 -0.08 0.00 0.00 0.00 0.00 44.72 43.83 2krr s GLY 13 CO 0.27 -0.80 0.87 -2.01 0.00 0.00 0.00 173.10 171.43 2krr n ASN 14 N -0.76 -4.94 -1.21 1.64 5.15 0.12 -0.07 115.26 115.20 2krr n ASN 14 Ca -0.01 -0.78 0.11 0.00 -0.60 0.00 0.00 54.58 53.31 2krr n ASN 14 Cb 0.62 -4.65 0.26 0.00 -0.53 0.00 0.00 39.78 35.48 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 -3.71 3.65 -1.26 1.20 4.77 -0.38 -3.17 117.00 118.10 2krr n LEU 15 Ca -0.14 -1.75 0.00 0.00 -0.03 0.00 0.00 56.01 54.10 2krr n LEU 15 Cb 0.63 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2krr n LEU 15 CO 0.62 0.85 -0.34 -3.20 -1.33 0.00 0.00 177.39 174.00 2krr n ASN 16 N 1.51 -7.02 -3.74 -1.43 5.15 -1.26 -4.86 115.26 103.61 2krr n ASN 16 Ca 0.21 0.94 -0.34 0.00 -0.60 0.00 0.00 54.58 54.80 2krr n ASN 16 Cb 0.60 -3.30 -0.05 0.00 -0.53 0.00 0.00 39.78 36.50 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 -0.28 3.27 0.00 1.20 -1.74 -1.20 -4.48 117.46 114.22 2krr n PHE 17 Ca 0.00 -3.63 0.00 0.00 -0.56 0.00 0.00 57.45 53.26 2krr n PHE 17 Cb 0.00 -0.88 0.00 0.00 1.52 0.00 0.00 39.48 40.12 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 1.25 2.70 -4.59 5.98 3.02 -1.26 -5.05 115.26 117.31 2krr n ASN 18 Ca 0.27 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.58 2krr n ASN 18 Cb 0.38 0.07 0.13 0.00 -0.61 0.00 0.00 39.78 39.74 2krr n ASN 18 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2krr s LYS 19 N -1.64 1.46 1.18 3.52 -0.14 -1.26 -5.09 119.74 117.77 2krr s LYS 19 Ca 0.00 -1.20 -0.17 0.00 -1.36 0.00 0.00 55.97 53.24 2krr s LYS 19 Cb 0.00 -2.30 0.28 0.00 -1.68 0.00 0.00 37.83 34.13 2krr s LYS 19 CO 0.00 -1.63 1.05 0.45 -0.76 0.00 0.00 175.35 174.47 2krr s SER 20 N -4.81 1.00 0.00 2.83 0.15 -1.26 -4.91 113.70 106.71 2krr s SER 20 Ca 0.68 0.99 -0.23 0.00 0.70 0.00 0.00 55.95 58.10 2krr s SER 20 Cb -0.04 -1.49 -0.13 0.00 -1.71 0.00 0.00 66.02 62.66 2krr s SER 20 CO 0.46 -4.11 0.99 0.00 1.20 0.00 0.00 173.24 171.77 2krr h ALA 21 N -2.57 -0.87 0.00 5.45 0.00 -1.98 -3.12 119.26 116.17 2krr h ALA 21 Ca -0.51 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2krr h ALA 21 Cb 1.32 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2krr h ALA 21 CO 0.43 -0.81 0.00 -0.35 0.00 0.00 0.00 179.25 178.53 2krr n PRO 22 N -5.12 0.11 0.13 0.00 -0.04 -1.26 -2.15 135.00 126.67 2krr n PRO 22 Ca -0.10 0.20 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 2krr n PRO 22 Cb 0.32 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.13 0.54 4.57 -1.91 -3.31 114.58 114.60 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 0.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 2krr h GLU 23 CO 0.00 0.00 -1.42 -0.07 -1.18 0.00 0.00 179.01 176.34 2krr h LEU 24 N 0.00 0.44 -0.78 1.64 3.38 -1.38 -3.33 115.31 115.28 2krr h LEU 24 Ca 0.00 -0.54 0.14 0.00 0.09 0.00 0.00 57.88 57.57 2krr h LEU 24 Cb 0.89 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.41 2krr h LEU 24 CO 0.00 1.44 0.35 0.11 0.09 0.00 0.00 178.44 180.43 2krr h LYS 25 N 0.08 0.49 0.42 1.13 1.57 -1.66 -1.43 116.57 117.16 2krr h LYS 25 Ca -0.20 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 2krr h LYS 25 Cb 2.01 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 34.19 2krr h LYS 25 CO 0.19 0.33 -0.46 1.15 -0.57 0.00 0.00 179.45 180.08 2krr h THR 26 N 0.51 0.00 -0.34 -0.16 2.02 -1.72 -0.87 112.91 112.35 2krr h THR 26 Ca 0.42 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.68 2krr h THR 26 Cb 0.62 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.96 2krr h THR 26 CO -0.38 0.00 -0.12 1.23 0.37 0.00 0.00 175.52 176.62 2krr h GLY 27 N -0.89 0.19 0.14 2.16 0.00 -1.60 0.33 103.07 103.41 2krr h GLY 27 Ca -0.05 0.15 0.08 0.00 0.00 0.00 0.00 47.33 47.51 2krr h GLY 27 CO -0.08 -0.15 -0.15 -2.22 0.00 0.00 0.00 176.54 173.94 2krr h ILE 28 N -0.05 0.52 0.00 2.60 2.04 -1.09 0.16 117.51 121.69 2krr h ILE 28 Ca 0.17 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.03 2krr h ILE 28 Cb 0.31 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2krr h ILE 28 CO -0.38 0.00 0.00 0.28 0.00 0.00 0.00 178.15 178.05 2krr h SER 29 N -0.07 0.00 0.47 1.72 0.02 -0.55 -3.21 113.55 111.93 2krr h SER 29 Ca 0.19 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 2krr h SER 29 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 2krr h SER 29 CO -0.43 0.00 -0.23 -0.78 -1.14 0.00 0.00 176.83 174.26 2krr h ASP 30 N 0.00 -0.54 -0.99 3.07 1.82 0.25 -1.59 116.42 118.44 2krr h ASP 30 Ca 0.00 -0.03 0.23 0.00 -0.39 0.00 0.00 57.03 56.83 2krr h ASP 30 Cb 0.56 0.14 -0.09 0.00 0.68 0.00 0.00 39.33 40.62 2krr h ASP 30 CO 0.00 -0.12 0.63 1.62 -1.61 0.00 0.00 179.24 179.76 2krr h VAL 31 N -1.11 0.62 -0.19 2.25 3.04 -1.30 0.16 116.25 119.72 2krr h VAL 31 Ca -0.07 -0.17 -0.17 0.00 -1.01 0.00 0.00 66.70 65.28 2krr h VAL 31 Cb 0.54 0.07 -0.00 0.00 -2.01 0.00 0.00 31.29 29.89 2krr h VAL 31 CO 0.11 0.09 -0.60 -0.26 -1.01 0.00 0.00 177.57 175.90 2krr h PHE 32 N 0.51 0.79 -0.85 3.17 0.04 -1.56 -3.11 116.94 115.93 2krr h PHE 32 Ca 0.56 -0.30 0.09 0.00 2.80 0.00 0.00 57.97 61.12 2krr h PHE 32 Cb 1.23 -0.14 -0.06 0.00 2.20 0.00 0.00 35.95 39.18 2krr h PHE 32 CO -0.00 1.06 0.55 0.00 -0.60 0.00 0.00 178.31 179.32 2krr h ALA 33 N 0.87 1.66 0.00 2.45 0.00 0.37 0.14 119.26 124.74 2krr h ALA 33 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2krr h ALA 33 Cb 1.16 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2krr h ALA 33 CO 0.12 0.18 -0.04 1.57 0.00 0.00 0.00 179.25 181.07 2krr h LYS 34 N 0.85 0.00 -0.83 0.00 2.10 -1.41 -2.75 116.57 114.53 2krr h LYS 34 Ca 0.38 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.88 2krr h LYS 34 Cb 0.37 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.61 2krr h LYS 34 CO -0.15 0.04 0.19 0.09 -2.00 0.00 0.00 179.45 177.63 2krr n ASN 35 N -3.15 4.02 -2.37 7.07 3.02 0.37 -4.86 115.26 119.36 2krr n ASN 35 Ca 0.01 -2.86 -0.20 0.00 -0.03 0.00 0.00 54.58 51.50 2krr n ASN 35 Cb 0.36 -0.68 -0.00 0.00 -0.61 0.00 0.00 39.78 38.85 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 -0.02 -5.78 -4.76 6.41 9.92 -1.04 -4.98 116.55 116.30 2krr n ASP 36 Ca 0.29 -0.05 -0.32 0.00 -0.53 0.00 0.00 54.79 54.18 2krr n ASP 36 Cb 1.09 -4.77 -0.07 0.00 -0.64 0.00 0.00 41.12 36.73 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 -5.87 3.79 -0.32 0.64 1.43 -0.50 -5.01 118.68 112.85 2krr s LEU 37 Ca 0.03 0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 2krr s LEU 37 Cb -0.02 -2.31 0.10 0.00 0.03 0.00 0.00 46.19 43.99 2krr s LEU 37 CO 0.04 0.23 0.07 0.00 0.23 0.00 0.00 176.35 176.92 2krr s ALA 38 N -1.25 2.12 -0.01 4.21 0.00 -1.26 -3.85 121.76 121.72 2krr s ALA 38 Ca 0.25 -2.00 -0.27 0.00 0.00 0.00 0.00 51.96 49.94 2krr s ALA 38 Cb -0.12 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.21 2krr s ALA 38 CO 0.16 -1.64 0.83 0.14 0.00 0.00 0.00 175.76 175.26 2krr s VAL 39 N 1.31 4.89 0.03 0.00 -7.23 -1.26 -1.70 120.40 116.44 2krr s VAL 39 Ca 0.09 1.75 0.01 0.00 -1.81 0.00 0.00 61.98 62.02 2krr s VAL 39 Cb -0.18 -4.18 -0.26 0.00 0.56 0.00 0.00 36.38 32.33 2krr s VAL 39 CO -0.17 0.24 0.97 -0.37 -0.31 0.00 0.00 175.10 175.46 2krr h VAL 40 N 4.62 1.29 -2.04 1.32 -1.51 -1.00 -3.46 116.25 115.46 2krr h VAL 40 Ca -0.42 -2.96 -0.06 0.00 -1.23 0.00 0.00 66.70 62.03 2krr h VAL 40 Cb 1.21 2.76 -0.19 0.00 -2.13 0.00 0.00 31.29 32.93 2krr h VAL 40 CO 0.74 0.82 0.17 -0.62 -1.23 0.00 0.00 177.57 177.45 2krr s ASP 41 N -6.82 -0.64 -0.01 4.19 2.15 -1.22 -5.03 116.67 109.29 2krr s ASP 41 Ca -0.05 0.73 0.04 0.00 0.43 0.00 0.00 52.55 53.69 2krr s ASP 41 Cb 0.08 0.58 -0.01 0.00 -0.30 0.00 0.00 42.92 43.27 2krr s ASP 41 CO 0.85 -0.58 -0.11 -0.69 -0.17 0.00 0.00 175.17 174.46 2krr s VAL 42 N -1.11 0.90 0.01 1.11 1.01 -1.26 -0.09 120.40 120.96 2krr s VAL 42 Ca -0.11 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.44 2krr s VAL 42 Cb -0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 2krr s VAL 42 CO 0.09 0.23 -0.24 -0.60 0.00 0.00 0.00 175.10 174.58 2krr s ARG 43 N -0.33 2.02 -0.03 2.72 6.06 0.25 -4.97 118.95 124.66 2krr s ARG 43 Ca 0.04 -0.99 0.06 0.00 -2.50 0.00 0.00 55.73 52.34 2krr s ARG 43 Cb -0.05 -2.06 -0.01 0.00 0.06 0.00 0.00 34.95 32.89 2krr s ARG 43 CO -0.00 0.54 -0.22 0.42 -2.50 0.00 0.00 175.30 173.54 2krr s ILE 44 N -0.74 1.77 0.83 4.11 -1.09 -1.26 -0.18 121.20 124.64 2krr s ILE 44 Ca 0.11 -0.94 -0.14 0.00 -2.23 0.00 0.00 60.65 57.46 2krr s ILE 44 Cb -0.10 -1.48 0.20 0.00 -1.58 0.00 0.00 42.46 39.50 2krr s ILE 44 CO 0.01 0.50 0.81 0.61 -1.23 0.00 0.00 174.94 175.64 2krr n GLY 45 N 2.74 -2.40 0.08 6.18 0.00 0.81 -4.94 105.19 107.67 2krr n GLY 45 Ca -0.16 -1.53 -0.12 0.00 0.00 0.00 0.00 46.02 44.21 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 0.14 0.00 1.61 -0.00 -2.01 -3.19 114.93 111.48 2krr h MET 46 Ca -0.29 -0.24 0.00 0.00 -0.00 0.00 0.00 59.70 59.16 2krr h MET 46 Cb 0.88 0.09 0.00 0.00 -0.00 0.00 0.00 31.60 32.57 2krr h MET 46 CO 0.20 1.11 0.00 -2.37 -0.00 0.00 0.00 176.91 175.85 2krr n THR 47 N -3.44 0.09 -1.89 -0.10 5.66 -1.26 -4.88 114.28 108.46 2krr n THR 47 Ca -0.05 0.02 -0.20 0.00 -3.05 0.00 0.00 64.05 60.78 2krr n THR 47 Cb 0.99 -0.55 -0.06 0.00 -1.55 0.00 0.00 70.33 69.16 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 -1.40 -1.56 -0.00 1.09 3.00 -1.21 -4.66 116.66 111.93 2krr n ARG 48 Ca 0.10 1.08 0.04 0.00 -0.01 0.00 0.00 57.85 59.06 2krr n ARG 48 Cb 0.28 -5.56 -0.05 0.00 0.00 0.00 0.00 32.46 27.13 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 -2.56 3.88 -3.89 5.56 4.81 -1.26 -3.28 118.16 121.41 2krr n LYS 49 Ca -0.21 -0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.13 2krr n LYS 49 Cb 0.66 -0.94 -0.01 0.00 0.02 0.00 0.00 35.03 34.76 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 -1.88 0.24 -0.77 5.64 -0.71 -1.26 0.16 117.98 119.39 2krr s PHE 50 Ca 0.03 -0.74 0.00 0.00 -1.04 0.00 0.00 56.93 55.18 2krr s PHE 50 Cb 0.07 0.56 0.00 0.00 -1.21 0.00 0.00 43.02 42.44 2krr s PHE 50 CO 0.38 -1.34 0.00 0.41 -1.34 0.00 0.00 175.22 173.33 2krr n GLY 51 N -0.50 -0.78 3.10 1.99 0.00 -0.57 -0.13 105.19 108.30 2krr n GLY 51 Ca -0.05 -0.32 -0.07 0.00 0.00 0.00 0.00 46.02 45.58 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 -4.00 0.57 -0.03 1.61 1.51 0.75 -1.04 117.35 116.72 2krr s TYR 52 Ca 0.00 -1.09 -0.01 0.00 -1.01 0.00 0.00 57.07 54.96 2krr s TYR 52 Cb 0.00 -0.40 0.03 0.00 -0.11 0.00 0.00 41.96 41.48 2krr s TYR 52 CO 0.00 -0.40 0.06 0.08 -1.11 0.00 0.00 175.55 174.18 2krr s VAL 53 N -3.94 -0.05 -0.13 0.71 1.01 -0.69 -0.59 120.40 116.72 2krr s VAL 53 Ca 0.09 0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 2krr s VAL 53 Cb 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.30 2krr s VAL 53 CO -0.08 0.08 -0.01 -1.81 0.00 0.00 0.00 175.10 173.28 2krr s ASP 54 N 1.06 5.06 0.04 3.32 1.01 0.87 -1.23 116.67 126.81 2krr s ASP 54 Ca -0.09 0.00 0.04 0.00 0.71 0.00 0.00 52.55 53.21 2krr s ASP 54 Cb -0.12 -1.66 -0.04 0.00 1.01 0.00 0.00 42.92 42.11 2krr s ASP 54 CO -0.04 0.25 -0.04 -0.36 0.21 0.00 0.00 175.17 175.20 2krr s PHE 55 N -0.14 2.93 0.16 4.23 0.40 0.55 -0.37 117.98 125.74 2krr s PHE 55 Ca 0.04 -0.03 -0.19 0.00 -0.60 0.00 0.00 56.93 56.16 2krr s PHE 55 Cb -0.13 -1.58 0.08 0.00 0.51 0.00 0.00 43.02 41.91 2krr s PHE 55 CO 0.02 0.42 1.65 0.93 0.70 0.00 0.00 175.22 178.95 2krr h GLU 56 N 4.11 -0.08 -5.66 0.44 5.08 -1.64 -3.42 114.58 113.41 2krr h GLU 56 Ca -0.48 0.01 -0.47 0.00 -1.00 0.00 0.00 59.36 57.41 2krr h GLU 56 Cb 1.17 0.02 -0.15 0.00 0.50 0.00 0.00 28.75 30.29 2krr h GLU 56 CO 0.56 -0.06 -0.74 -1.12 -1.00 0.00 0.00 179.01 176.65 2krr s SER 57 N -5.16 2.69 0.62 1.42 0.01 -1.26 -4.96 113.70 107.06 2krr s SER 57 Ca -0.14 -1.01 0.33 0.00 1.31 0.00 0.00 55.95 56.44 2krr s SER 57 Cb 0.14 -0.16 1.93 0.00 0.21 0.00 0.00 66.02 68.14 2krr s SER 57 CO 0.70 -0.14 2.22 0.00 0.41 0.00 0.00 173.24 176.43 2krr h ALA 58 N 2.57 1.46 0.18 1.44 0.00 -1.94 -2.76 119.26 120.20 2krr h ALA 58 Ca -0.38 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.53 2krr h ALA 58 Cb 1.22 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 2krr h ALA 58 CO 0.61 -0.11 -0.51 0.93 0.00 0.00 0.00 179.25 180.17 2krr h GLU 59 N 0.00 -0.75 0.00 0.00 5.08 -1.96 0.74 114.58 117.69 2krr h GLU 59 Ca 0.02 0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2krr h GLU 59 Cb 0.19 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2krr h GLU 59 CO -0.00 -0.50 -0.15 -0.44 -1.00 0.00 0.00 179.01 176.91 2krr h ASP 60 N -0.78 0.00 0.07 1.42 3.32 -1.90 -0.61 116.42 117.94 2krr h ASP 60 Ca -0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2krr h ASP 60 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.32 2krr h ASP 60 CO -0.25 0.15 -0.03 0.25 -1.72 0.00 0.00 179.24 177.64 2krr h LEU 61 N 0.00 -0.08 0.13 1.55 7.12 -1.03 -2.28 115.31 120.71 2krr h LEU 61 Ca -0.00 -0.24 -0.28 0.00 0.13 0.00 0.00 57.88 57.49 2krr h LEU 61 Cb 0.75 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.90 2krr h LEU 61 CO 0.02 0.19 -1.32 1.05 -0.13 0.00 0.00 178.44 178.26 2krr h GLU 62 N -0.36 0.27 -0.37 1.25 4.11 -0.89 -3.34 114.58 115.25 2krr h GLU 62 Ca -0.01 -0.45 0.06 0.00 0.07 0.00 0.00 59.36 59.03 2krr h GLU 62 Cb 0.31 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 2krr h GLU 62 CO 0.02 1.19 0.03 0.87 0.07 0.00 0.00 179.01 181.19 2krr h LYS 63 N 0.07 0.14 -0.09 1.06 1.57 -1.15 0.61 116.57 118.78 2krr h LYS 63 Ca -0.16 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.64 2krr h LYS 63 Cb 1.98 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 34.26 2krr h LYS 63 CO 0.19 0.09 0.16 0.00 -0.57 0.00 0.00 179.45 179.33 2krr h ALA 64 N 1.30 1.51 0.00 3.86 0.00 -1.52 0.34 119.26 124.74 2krr h ALA 64 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2krr h ALA 64 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2krr h ALA 64 CO -0.27 -0.21 0.00 -0.07 0.00 0.00 0.00 179.25 178.70 2krr h LEU 65 N 0.00 0.00 0.00 0.00 3.38 -1.00 -3.13 115.31 114.56 2krr h LEU 65 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2krr h LEU 65 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2krr h LEU 65 CO -0.00 0.00 -0.59 -1.84 0.09 0.00 0.00 178.44 176.10 2krr n GLU 66 N -2.88 3.52 -0.49 1.13 0.28 0.87 -5.04 120.64 118.03 2krr n GLU 66 Ca 0.02 -0.02 -0.26 0.00 -0.16 0.00 0.00 57.16 56.74 2krr n GLU 66 Cb 0.36 -0.90 0.20 0.00 1.43 0.00 0.00 31.44 32.53 2krr n GLU 66 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2krr n LEU 67 N -1.32 -1.50 -3.81 -1.84 4.77 0.55 -5.05 117.00 108.80 2krr n LEU 67 Ca 0.00 -0.40 -0.10 0.00 -0.03 0.00 0.00 56.01 55.49 2krr n LEU 67 Cb 0.12 -0.93 -0.07 0.00 -2.33 0.00 0.00 43.42 40.21 2krr n LEU 67 CO 0.13 -3.52 -0.05 0.28 -1.33 0.00 0.00 177.39 172.91 2krr s THR 68 N -2.17 0.12 -0.69 -5.08 -1.32 -1.26 -4.90 115.64 100.34 2krr s THR 68 Ca 0.53 -0.95 0.00 0.00 -1.21 0.00 0.00 61.69 60.05 2krr s THR 68 Cb -0.11 -1.15 0.00 0.00 -1.51 0.00 0.00 72.50 69.73 2krr s THR 68 CO 0.52 -0.53 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 2krr n GLY 69 N 0.22 0.40 3.50 6.08 0.00 -1.26 -4.98 105.19 109.15 2krr n GLY 69 Ca -0.17 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.96 4.40 0.13 0.99 1.43 -1.26 -5.02 118.68 117.39 2krr s LEU 70 Ca 0.00 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 2krr s LEU 70 Cb 0.00 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 2krr s LEU 70 CO 0.00 -1.09 -0.01 -1.59 0.23 0.00 0.00 176.35 173.88 2krr s LYS 71 N 3.46 0.94 -0.16 1.70 0.00 -1.26 -2.66 119.74 121.76 2krr s LYS 71 Ca 0.25 -1.43 -0.09 0.00 0.00 0.00 0.00 55.97 54.71 2krr s LYS 71 Cb -0.15 -0.12 0.06 0.00 0.00 0.00 0.00 37.83 37.62 2krr s LYS 71 CO 0.17 -0.12 0.38 0.08 0.00 0.00 0.00 175.35 175.87 2krr s VAL 72 N -3.74 -0.03 -1.58 1.79 1.01 0.65 -4.74 120.40 113.77 2krr s VAL 72 Ca 0.19 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.23 2krr s VAL 72 Cb 0.06 -0.57 0.01 0.00 0.00 0.00 0.00 36.38 35.88 2krr s VAL 72 CO -0.00 0.04 0.35 0.49 0.00 0.00 0.00 175.10 175.98 2krr n PHE 73 N 4.21 -1.60 0.00 5.22 3.72 -1.26 -2.20 117.46 125.55 2krr n PHE 73 Ca -0.23 0.30 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 2krr n PHE 73 Cb 0.55 -4.08 0.00 0.00 -0.94 0.00 0.00 39.48 35.01 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 -1.27 2.30 3.74 1.37 0.00 -1.26 -4.99 105.19 105.07 2krr n GLY 74 Ca -0.15 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 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 7.18 -0.42 1.61 0.01 -0.93 -4.98 114.94 117.40 2krr s ASN 75 Ca 0.00 2.16 -0.28 0.00 -0.71 0.00 0.00 52.86 54.03 2krr s ASN 75 Cb 0.00 -2.61 0.02 0.00 0.41 0.00 0.00 41.25 39.08 2krr s ASN 75 CO 0.00 -0.30 1.04 -0.70 -1.51 0.00 0.00 177.10 175.63 2krr s GLU 76 N -0.30 3.79 1.10 -0.60 2.12 -1.26 -0.26 118.70 123.29 2krr s GLU 76 Ca 0.51 0.60 -0.13 0.00 0.36 0.00 0.00 54.97 56.32 2krr s GLU 76 Cb -0.31 -3.85 0.24 0.00 0.26 0.00 0.00 34.13 30.48 2krr s GLU 76 CO 0.36 -1.15 1.06 0.96 -0.54 0.00 0.00 175.26 175.94 2krr s ILE 77 N 3.93 2.03 -0.07 -3.70 -5.25 -1.09 -4.79 121.20 112.27 2krr s ILE 77 Ca 0.43 0.01 -0.01 0.00 -0.99 0.00 0.00 60.65 60.09 2krr s ILE 77 Cb -0.10 -2.26 0.03 0.00 2.95 0.00 0.00 42.46 43.08 2krr s ILE 77 CO 0.24 -0.01 -0.00 -0.54 -1.79 0.00 0.00 174.94 172.84 2krr s LYS 78 N -4.69 0.63 -0.07 0.37 -0.14 0.90 -4.84 119.74 111.90 2krr s LYS 78 Ca 0.67 0.09 -0.15 0.00 -1.36 0.00 0.00 55.97 55.22 2krr s LYS 78 Cb -0.22 -0.96 -0.05 0.00 -1.68 0.00 0.00 37.83 34.92 2krr s LYS 78 CO 0.61 -0.28 0.39 -0.51 -0.76 0.00 0.00 175.35 174.80 2krr s LEU 79 N 1.88 4.38 0.00 3.17 1.43 -1.26 -0.07 118.68 128.20 2krr s LEU 79 Ca 0.04 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 2krr s LEU 79 Cb -0.12 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.54 2krr s LEU 79 CO -0.05 0.20 0.33 -0.62 0.23 0.00 0.00 176.35 176.45 2krr n GLU 80 N 2.64 0.48 -4.36 1.70 -0.58 0.23 -4.98 120.64 115.78 2krr n GLU 80 Ca -0.12 -2.19 -0.34 0.00 -0.42 0.00 0.00 57.16 54.09 2krr n GLU 80 Cb 0.52 2.03 -0.13 0.00 -0.57 0.00 0.00 31.44 33.30 2krr n GLU 80 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2krr s LYS 81 N -2.69 3.61 0.00 3.49 2.20 -1.26 -0.57 119.74 124.52 2krr s LYS 81 Ca 0.24 -0.54 0.00 0.00 -0.36 0.00 0.00 55.97 55.30 2krr s LYS 81 Cb -0.00 -2.92 0.00 0.00 -1.51 0.00 0.00 37.83 33.40 2krr s LYS 81 CO 0.17 0.18 0.00 -0.35 -0.36 0.00 0.00 175.35 174.98 2krr n PRO 82 N 3.72 -0.66 -1.12 4.03 -0.04 -1.26 -4.83 135.00 134.85 2krr n PRO 82 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2krr n PRO 82 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 2krr n PRO 82 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2krr n LYS 83 N -1.24 -3.18 0.00 0.54 0.00 -1.26 -5.05 118.16 107.98 2krr n LYS 83 Ca 0.00 2.38 0.00 0.00 0.00 0.00 0.00 58.31 60.69 2krr n LYS 83 Cb 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 35.03 32.32 2krr n LYS 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2krr n GLY 84 N -1.08 0.00 3.58 3.14 0.00 -1.26 -4.86 105.19 104.71 2krr n GLY 84 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2krr n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2krr s LYS 85 N 0.00 2.79 0.27 1.61 2.47 -1.26 -4.55 119.74 121.07 2krr s LYS 85 Ca 0.00 -0.54 -0.18 0.00 -1.56 0.00 0.00 55.97 53.69 2krr s LYS 85 Cb 0.00 -2.61 0.01 0.00 -1.46 0.00 0.00 37.83 33.77 2krr s LYS 85 CO 0.00 0.65 0.63 0.34 0.16 0.00 0.00 175.35 177.13 2krr s ASP 86 N -0.76 -0.18 0.52 1.43 2.15 -1.26 -5.01 116.67 113.55 2krr s ASP 86 Ca 0.12 -0.75 0.35 0.00 0.43 0.00 0.00 52.55 52.69 2krr s ASP 86 Cb -0.11 0.68 1.81 0.00 -0.30 0.00 0.00 42.92 45.00 2krr s ASP 86 CO 0.02 -1.28 2.06 -1.28 -0.17 0.00 0.00 175.17 174.51 2krr h SER 87 N 2.10 0.00 -0.01 -0.34 0.87 -2.05 -1.83 113.55 112.29 2krr h SER 87 Ca -0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 2krr h SER 87 Cb 1.25 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2krr h SER 87 CO 0.28 0.00 0.08 0.11 -0.53 0.00 0.00 176.83 176.77 2krr h LYS 88 N 0.00 0.00 -0.87 2.24 1.57 -2.01 -1.85 116.57 115.65 2krr h LYS 88 Ca 0.00 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 59.03 2krr h LYS 88 Cb 0.09 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 2krr h LYS 88 CO 0.00 0.00 0.63 1.57 -0.57 0.00 0.00 179.45 181.08 2krr h LYS 89 N 0.00 0.02 0.23 3.15 2.10 -1.72 0.27 116.57 120.62 2krr h LYS 89 Ca 0.01 -0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2krr h LYS 89 Cb 0.16 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.48 2krr h LYS 89 CO -0.00 0.01 -0.18 0.93 -2.00 0.00 0.00 179.45 178.21 2krr h GLU 90 N 0.02 -0.41 0.00 0.07 3.07 -1.59 -0.50 114.58 115.24 2krr h GLU 90 Ca 0.42 0.03 -0.14 0.00 -0.50 0.00 0.00 59.36 59.16 2krr h GLU 90 Cb 1.64 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 29.62 2krr h GLU 90 CO -0.01 -0.27 -0.67 -0.09 -1.40 0.00 0.00 179.01 176.56 2krr h ARG 91 N -0.42 0.00 0.00 2.33 1.12 -1.41 -3.13 114.38 112.87 2krr h ARG 91 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 2krr h ARG 91 Cb 0.38 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.34 2krr h ARG 91 CO -0.02 0.67 0.00 -0.25 -3.11 0.00 0.00 179.97 177.27 2krr n ASP 92 N -3.27 0.00 0.03 -3.80 8.00 0.82 -2.90 116.55 115.43 2krr n ASP 92 Ca 0.01 0.17 0.07 0.00 0.71 0.00 0.00 54.79 55.76 2krr n ASP 92 Cb 0.80 -0.37 0.33 0.00 -0.02 0.00 0.00 41.12 41.87 2krr n ASP 92 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2krr n ALA 93 N -1.37 1.57 -0.24 2.24 0.00 -0.22 -3.03 120.51 119.47 2krr n ALA 93 Ca 0.08 -0.01 0.28 0.00 0.00 0.00 0.00 53.44 53.80 2krr n ALA 93 Cb 0.20 -1.25 0.68 0.00 0.00 0.00 0.00 19.45 19.09 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 0.09 -5.90 0.00 3.08 -1.77 -3.39 114.38 106.49 2krr h ARG 94 Ca 0.00 -0.01 -0.65 0.00 0.07 0.00 0.00 59.98 59.39 2krr h ARG 94 Cb 0.24 -0.02 -0.31 0.00 0.08 0.00 0.00 29.97 29.96 2krr h ARG 94 CO 0.00 0.06 -0.87 0.99 -1.07 0.00 0.00 179.97 179.08 2krr s THR 95 N -5.08 1.85 0.26 2.04 2.01 -1.17 -2.41 115.64 113.14 2krr s THR 95 Ca -0.06 -0.96 0.07 0.00 0.31 0.00 0.00 61.69 61.05 2krr s THR 95 Cb 0.22 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 2krr s THR 95 CO 0.79 0.52 0.18 -0.76 -0.69 0.00 0.00 174.62 174.66 2krr s LEU 96 N -0.19 3.72 0.04 4.42 2.01 0.03 -2.57 118.68 126.13 2krr s LEU 96 Ca -0.01 -0.32 0.07 0.00 0.01 0.00 0.00 54.13 53.88 2krr s LEU 96 Cb -0.12 -2.25 -0.02 0.00 0.01 0.00 0.00 46.19 43.80 2krr s LEU 96 CO 0.02 -0.06 -0.20 -0.22 1.01 0.00 0.00 176.35 176.90 2krr s LEU 97 N -3.83 2.17 -0.00 1.79 2.96 0.94 -1.25 118.68 121.45 2krr s LEU 97 Ca 0.33 -0.52 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 2krr s LEU 97 Cb -0.07 -0.95 -0.03 0.00 0.50 0.00 0.00 46.19 45.64 2krr s LEU 97 CO 0.24 0.15 -0.15 0.00 -1.32 0.00 0.00 176.35 175.28 2krr s ALA 98 N -0.81 2.68 0.27 5.97 0.00 0.11 -0.23 121.76 129.76 2krr s ALA 98 Ca 0.07 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 50.98 2krr s ALA 98 Cb -0.09 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 2krr s ALA 98 CO 0.02 0.57 0.17 0.15 0.00 0.00 0.00 175.76 176.67 2krr s LYS 99 N -1.14 1.48 -1.08 0.00 -0.14 -1.12 -2.02 119.74 115.71 2krr s LYS 99 Ca 0.14 -1.83 -0.03 0.00 -1.36 0.00 0.00 55.97 52.89 2krr s LYS 99 Cb -0.11 0.11 0.00 0.00 -1.68 0.00 0.00 37.83 36.16 2krr s LYS 99 CO 0.04 -0.46 0.39 -1.71 -0.76 0.00 0.00 175.35 172.84 2krr n ASN 100 N -0.81 -4.68 -4.91 2.83 5.15 -1.26 -1.85 115.26 109.74 2krr n ASN 100 Ca 0.03 -0.18 -0.32 0.00 -0.60 0.00 0.00 54.58 53.50 2krr n ASN 100 Cb 0.65 -3.56 -0.04 0.00 -0.53 0.00 0.00 39.78 36.29 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 -4.68 4.35 0.87 1.20 1.43 -1.26 -4.39 118.68 116.20 2krr s LEU 101 Ca 0.19 0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 53.54 2krr s LEU 101 Cb -0.08 -2.88 0.11 0.00 0.03 0.00 0.00 46.19 43.37 2krr s LEU 101 CO 0.24 0.19 1.09 -2.16 0.23 0.00 0.00 176.35 175.94 2krr s PRO 102 N -2.29 1.49 0.00 1.29 0.04 -1.26 -4.48 135.00 129.79 2krr s PRO 102 Ca 0.33 0.90 0.23 0.00 0.04 0.00 0.00 61.00 62.50 2krr s PRO 102 Cb -0.13 -1.83 1.19 0.00 0.04 0.00 0.00 34.50 33.77 2krr s PRO 102 CO 0.24 -2.11 1.76 0.66 0.04 0.00 0.00 177.00 177.59 2krr n TYR 103 N -3.80 0.00 -0.56 0.56 4.01 -1.26 -2.48 117.16 113.62 2krr n TYR 103 Ca 0.07 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.87 2krr n TYR 103 Cb 0.55 -0.26 0.10 0.00 -0.31 0.00 0.00 39.34 39.42 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 -1.26 2.30 -1.24 -0.72 2.85 -1.26 -1.18 118.16 117.65 2krr n LYS 104 Ca 0.11 -2.15 -0.31 0.00 -1.05 0.00 0.00 58.31 54.92 2krr n LYS 104 Cb 0.18 -1.33 0.11 0.00 -0.65 0.00 0.00 35.03 33.33 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 -1.97 3.12 0.24 0.58 0.11 -1.04 -4.98 120.40 116.48 2krr s VAL 105 Ca 0.20 0.37 0.01 0.00 -2.93 0.00 0.00 61.98 59.63 2krr s VAL 105 Cb 0.17 -2.85 -0.04 0.00 -1.53 0.00 0.00 36.38 32.13 2krr s VAL 105 CO 0.04 -0.48 0.17 -0.89 -3.33 0.00 0.00 175.10 170.61 2krr s THR 106 N -2.91 0.06 0.04 5.04 2.01 -1.26 -4.69 115.64 113.93 2krr s THR 106 Ca 0.62 -2.00 -0.33 0.00 0.31 0.00 0.00 61.69 60.28 2krr s THR 106 Cb -0.17 -2.51 -0.19 0.00 0.01 0.00 0.00 72.50 69.64 2krr s THR 106 CO 0.56 0.00 1.40 1.56 -0.69 0.00 0.00 174.62 177.46 2krr h GLN 107 N 2.46 -1.13 -0.92 4.92 4.20 -1.98 -2.88 115.11 119.78 2krr h GLN 107 Ca -0.33 0.08 0.21 0.00 0.06 0.00 0.00 58.65 58.66 2krr h GLN 107 Cb 1.25 0.26 -0.07 0.00 0.30 0.00 0.00 27.48 29.21 2krr h GLN 107 CO 0.49 -0.75 0.61 0.22 -0.67 0.00 0.00 178.83 178.73 2krr h ASP 108 N -1.29 0.43 0.05 1.46 1.82 -1.98 -1.16 116.42 115.76 2krr h ASP 108 Ca -0.12 0.05 0.01 0.00 -0.39 0.00 0.00 57.03 56.58 2krr h ASP 108 Cb 0.91 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.85 2krr h ASP 108 CO 0.20 0.16 -0.37 -0.33 -1.61 0.00 0.00 179.24 177.29 2krr h GLU 109 N 0.42 -0.48 0.00 0.28 4.39 -1.92 -1.48 114.58 115.80 2krr h GLU 109 Ca 0.49 0.03 -0.05 0.00 0.34 0.00 0.00 59.36 60.17 2krr h GLU 109 Cb 1.19 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.94 2krr h GLU 109 CO -0.20 -0.32 -0.22 -0.07 -1.16 0.00 0.00 179.01 177.04 2krr h LEU 110 N -0.50 0.00 -0.97 1.33 4.07 -1.37 -1.89 115.31 115.98 2krr h LEU 110 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2krr h LEU 110 Cb 0.51 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.25 2krr h LEU 110 CO -0.22 0.22 0.00 2.29 -1.08 0.00 0.00 178.44 179.65 2krr n LYS 111 N -3.94 0.13 0.25 1.13 2.85 -0.49 -1.98 118.16 116.11 2krr n LYS 111 Ca -0.02 0.54 0.17 0.00 -1.05 0.00 0.00 58.31 57.94 2krr n LYS 111 Cb 0.30 -1.85 0.89 0.00 -0.65 0.00 0.00 35.03 33.71 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 -0.67 0.33 114.58 117.05 2krr h GLU 112 Ca 0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 2krr h GLU 112 Cb 0.12 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2krr h GLU 112 CO 0.00 0.00 -1.04 1.33 -1.16 0.00 0.00 179.01 178.14 2krr n VAL 113 N -2.65 1.21 -0.97 3.13 0.24 -0.84 -4.66 118.33 113.79 2krr n VAL 113 Ca -0.02 0.09 -0.24 0.00 -2.04 0.00 0.00 64.34 62.13 2krr n VAL 113 Cb 0.06 -1.92 0.09 0.00 -1.47 0.00 0.00 33.84 30.59 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 -3.94 2.40 0.23 6.34 1.16 -1.21 -4.56 117.46 117.88 2krr n PHE 114 Ca -0.16 -2.19 0.18 0.00 -1.87 0.00 0.00 57.45 53.41 2krr n PHE 114 Cb 0.45 -1.07 0.87 0.00 -1.61 0.00 0.00 39.48 38.12 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 1.41 0.00 0.00 3.97 4.81 -0.60 0.47 114.58 124.64 2krr h GLU 115 Ca 0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.70 2krr h GLU 115 Cb 1.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.77 2krr h GLU 115 CO 1.08 0.00 0.00 0.22 -0.73 0.00 0.00 179.01 179.58 2krr h ASP 116 N 0.00 0.00 -2.42 1.04 3.58 -1.83 -3.47 116.42 113.32 2krr h ASP 116 Ca 0.07 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 57.03 2krr h ASP 116 Cb 0.54 0.00 0.23 0.00 1.72 0.00 0.00 39.33 41.82 2krr h ASP 116 CO -0.00 0.00 -1.27 0.00 -2.88 0.00 0.00 179.24 175.09 2krr n ALA 117 N -1.96 -4.09 0.24 -0.78 0.00 0.16 -4.94 120.51 109.14 2krr n ALA 117 Ca 0.04 -1.02 -0.10 0.00 0.00 0.00 0.00 53.44 52.36 2krr n ALA 117 Cb 0.47 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.63 -0.79 -2.51 0.00 0.00 -1.86 -3.48 119.26 108.99 2krr h ALA 118 Ca -0.47 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.14 2krr h ALA 118 Cb 1.33 0.25 -0.14 0.00 0.00 0.00 0.00 17.79 19.23 2krr h ALA 118 CO 0.33 -0.74 -0.53 -1.83 0.00 0.00 0.00 179.25 176.48 2krr s GLU 119 N -3.78 1.02 -0.01 0.00 -1.05 -0.57 -5.04 118.70 109.28 2krr s GLU 119 Ca -0.09 -1.35 0.04 0.00 -0.15 0.00 0.00 54.97 53.41 2krr s GLU 119 Cb 0.01 0.29 -0.01 0.00 -0.44 0.00 0.00 34.13 33.98 2krr s GLU 119 CO 0.28 -0.32 -0.12 0.42 0.95 0.00 0.00 175.26 176.47 2krr s ILE 120 N -4.02 0.91 -0.17 1.83 1.09 -1.26 -2.37 121.20 117.21 2krr s ILE 120 Ca 0.22 -0.49 -0.04 0.00 -1.10 0.00 0.00 60.65 59.24 2krr s ILE 120 Cb 0.06 -0.77 0.06 0.00 -1.06 0.00 0.00 42.46 40.75 2krr s ILE 120 CO 0.02 0.26 0.08 -0.13 -0.10 0.00 0.00 174.94 175.06 2krr s ARG 121 N -0.25 0.17 0.34 2.79 1.81 0.12 -4.98 118.95 118.96 2krr s ARG 121 Ca 0.04 -0.12 -0.03 0.00 -1.72 0.00 0.00 55.73 53.91 2krr s ARG 121 Cb -0.05 -1.81 -0.04 0.00 -0.45 0.00 0.00 34.95 32.60 2krr s ARG 121 CO -0.00 -0.64 0.59 -0.51 -0.68 0.00 0.00 175.30 174.05 2krr s LEU 122 N 2.09 3.97 -0.34 2.53 2.01 -1.26 -0.06 118.68 127.62 2krr s LEU 122 Ca 0.02 0.63 0.02 0.00 0.01 0.00 0.00 54.13 54.80 2krr s LEU 122 Cb -0.16 -3.49 0.09 0.00 0.01 0.00 0.00 46.19 42.64 2krr s LEU 122 CO -0.08 -0.30 0.05 -0.69 1.01 0.00 0.00 176.35 176.34 2krr s VAL 123 N -2.29 2.57 0.03 -1.59 1.01 -1.22 -4.89 120.40 114.02 2krr s VAL 123 Ca 0.43 -2.03 0.01 0.00 0.00 0.00 0.00 61.98 60.38 2krr s VAL 123 Cb -0.10 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 2krr s VAL 123 CO 0.35 -0.45 -0.05 -0.94 0.00 0.00 0.00 175.10 174.01 2krr s SER 124 N 1.18 0.49 -0.03 3.32 1.04 -1.26 -1.73 113.70 116.72 2krr s SER 124 Ca 0.05 -0.53 0.03 0.00 0.48 0.00 0.00 55.95 55.98 2krr s SER 124 Cb -0.20 0.08 -0.00 0.00 0.10 0.00 0.00 66.02 65.99 2krr s SER 124 CO -0.06 -0.27 -0.12 -0.75 0.98 0.00 0.00 173.24 173.03 2krr s LYS 125 N -1.56 1.16 -1.56 4.02 2.47 0.87 -4.73 119.74 120.40 2krr s LYS 125 Ca -0.13 -0.41 0.00 0.00 -1.56 0.00 0.00 55.97 53.87 2krr s LYS 125 Cb -0.10 -1.07 0.00 0.00 -1.46 0.00 0.00 37.83 35.21 2krr s LYS 125 CO -0.01 0.18 0.00 -3.47 0.16 0.00 0.00 175.35 172.21 2krr n ASP 126 N 3.13 -5.11 0.00 1.43 2.03 -1.26 -1.58 116.55 115.19 2krr n ASP 126 Ca -0.17 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.50 2krr n ASP 126 Cb 0.54 -3.91 0.00 0.00 -0.72 0.00 0.00 41.12 37.03 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 -0.72 0.69 2.85 0.27 0.00 -1.26 -5.07 105.19 101.96 2krr n GLY 127 Ca -0.15 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.06 0.18 0.83 1.61 -0.14 -0.62 -5.04 119.74 114.51 2krr s LYS 128 Ca 0.00 0.02 -0.12 0.00 -1.36 0.00 0.00 55.97 54.51 2krr s LYS 128 Cb 0.00 -0.29 0.10 0.00 -1.68 0.00 0.00 37.83 35.96 2krr s LYS 128 CO 0.00 -0.06 1.18 0.45 -0.76 0.00 0.00 175.35 176.17 2krr s SER 129 N 0.52 3.46 -0.01 2.83 0.15 -0.32 -0.09 113.70 120.24 2krr s SER 129 Ca -0.05 2.30 0.12 0.00 0.70 0.00 0.00 55.95 59.02 2krr s SER 129 Cb -0.08 -2.58 -0.16 0.00 -1.71 0.00 0.00 66.02 61.50 2krr s SER 129 CO -0.01 -2.75 0.42 0.29 1.20 0.00 0.00 173.24 172.38 2krr n LYS 130 N -3.55 1.88 0.00 5.44 5.02 -0.70 -4.73 118.16 121.52 2krr n LYS 130 Ca 0.13 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2krr n LYS 130 Cb 0.51 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 2krr n LYS 130 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2krr n GLY 131 N 1.50 1.52 3.49 0.72 0.00 -1.26 -5.05 105.19 106.10 2krr n GLY 131 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.28 -0.61 -4.36 -1.26 -4.29 121.20 108.41 2krr s ILE 132 Ca 0.00 -0.33 -0.03 0.00 -0.26 0.00 0.00 60.65 60.03 2krr s ILE 132 Cb 0.00 -1.25 0.16 0.00 1.25 0.00 0.00 42.46 42.62 2krr s ILE 132 CO 0.00 -0.05 0.56 0.00 0.24 0.00 0.00 174.94 175.69 2krr s ALA 133 N -3.80 -1.95 -0.10 2.27 0.00 -0.86 -3.45 121.76 113.87 2krr s ALA 133 Ca 0.04 1.76 -0.18 0.00 0.00 0.00 0.00 51.96 53.59 2krr s ALA 133 Cb -0.01 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 2krr s ALA 133 CO -0.09 -1.21 0.46 0.71 0.00 0.00 0.00 175.76 175.64 2krr s TYR 134 N 2.80 3.54 -0.07 0.00 2.02 0.91 0.08 117.35 126.63 2krr s TYR 134 Ca 0.13 0.89 0.03 0.00 -0.37 0.00 0.00 57.07 57.75 2krr s TYR 134 Cb -0.14 -2.51 0.01 0.00 -0.40 0.00 0.00 41.96 38.92 2krr s TYR 134 CO -0.19 0.23 -0.16 0.96 -1.57 0.00 0.00 175.55 174.82 2krr s ILE 135 N 0.38 1.43 -0.46 2.71 -0.00 -0.38 0.10 121.20 124.99 2krr s ILE 135 Ca 0.25 -0.66 -0.13 0.00 -0.00 0.00 0.00 60.65 60.11 2krr s ILE 135 Cb -0.15 -1.27 0.08 0.00 -0.00 0.00 0.00 42.46 41.11 2krr s ILE 135 CO 0.10 0.42 0.36 -1.61 -0.00 0.00 0.00 174.94 174.21 2krr s GLU 136 N 0.50 2.85 0.77 0.37 2.02 -1.00 -0.79 118.70 123.42 2krr s GLU 136 Ca -0.15 -1.41 -0.09 0.00 0.02 0.00 0.00 54.97 53.34 2krr s GLU 136 Cb -0.16 -4.02 0.09 0.00 0.10 0.00 0.00 34.13 30.13 2krr s GLU 136 CO 0.05 -1.02 1.10 -0.06 0.02 0.00 0.00 175.26 175.35 2krr s PHE 137 N 1.56 2.69 -0.01 1.61 0.40 -1.01 -1.51 117.98 121.71 2krr s PHE 137 Ca 0.04 0.48 -0.24 0.00 -0.60 0.00 0.00 56.93 56.60 2krr s PHE 137 Cb -0.24 -3.40 -0.19 0.00 0.51 0.00 0.00 43.02 39.70 2krr s PHE 137 CO 0.05 -1.70 1.29 0.87 0.70 0.00 0.00 175.22 176.43 2krr h LYS 138 N -0.87 0.09 -3.91 0.44 6.56 -1.94 -3.45 116.57 113.49 2krr h LYS 138 Ca -0.44 -0.05 -0.12 0.00 -1.06 0.00 0.00 60.65 58.97 2krr h LYS 138 Cb 1.31 0.00 -0.17 0.00 -0.57 0.00 0.00 32.23 32.80 2krr h LYS 138 CO 0.58 0.55 -0.55 -0.08 -2.06 0.00 0.00 179.45 177.89 2krr s THR 139 N -4.29 0.15 0.59 -0.16 -1.32 -1.26 -5.02 115.64 104.33 2krr s THR 139 Ca -0.15 -1.24 0.29 0.00 -1.21 0.00 0.00 61.69 59.37 2krr s THR 139 Cb 0.03 -1.03 0.36 0.00 -1.51 0.00 0.00 72.50 70.35 2krr s THR 139 CO 0.69 -0.69 2.10 -0.33 -2.21 0.00 0.00 174.62 174.19 2krr h GLU 140 N 3.53 0.00 -0.62 7.08 3.07 -1.84 -0.33 114.58 125.47 2krr h GLU 140 Ca -0.33 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.44 2krr h GLU 140 Cb 1.18 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.07 2krr h GLU 140 CO 0.54 0.00 0.03 0.00 -1.40 0.00 0.00 179.01 178.17 2krr h ALA 141 N 1.77 0.84 0.00 3.43 0.00 -1.95 0.27 119.26 123.61 2krr h ALA 141 Ca 0.09 -0.30 -0.22 0.00 0.00 0.00 0.00 54.91 54.48 2krr h ALA 141 Cb 0.49 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2krr h ALA 141 CO -0.00 0.66 -1.18 0.22 0.00 0.00 0.00 179.25 178.96 2krr h ASP 142 N 0.99 0.00 0.17 0.00 3.58 -1.53 -3.18 116.42 116.45 2krr h ASP 142 Ca 0.18 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 2krr h ASP 142 Cb 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2krr h ASP 142 CO 0.03 0.90 -0.08 0.00 -2.88 0.00 0.00 179.24 177.20 2krr h ALA 143 N 1.10 -0.23 -0.39 -0.78 0.00 -1.01 -0.65 119.26 117.29 2krr h ALA 143 Ca -0.10 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.86 2krr h ALA 143 Cb 1.77 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.64 2krr h ALA 143 CO 0.10 -0.21 0.39 1.05 0.00 0.00 0.00 179.25 180.57 2krr h GLU 144 N -1.06 0.00 0.14 0.00 4.11 -0.65 -0.81 114.58 116.32 2krr h GLU 144 Ca -0.02 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.13 2krr h GLU 144 Cb 0.19 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.45 2krr h GLU 144 CO 0.04 0.00 -1.38 -0.22 0.07 0.00 0.00 179.01 177.52 2krr h LYS 145 N 0.00 0.30 -0.07 1.06 1.63 -1.62 -3.32 116.57 114.56 2krr h LYS 145 Ca 0.19 -0.51 0.02 0.00 -0.85 0.00 0.00 60.65 59.49 2krr h LYS 145 Cb 0.96 0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 32.77 2krr h LYS 145 CO -0.00 1.25 0.10 1.15 -3.45 0.00 0.00 179.45 178.49 2krr h THR 146 N -0.21 0.36 -0.28 1.00 2.02 0.31 -2.30 112.91 113.81 2krr h THR 146 Ca -0.28 0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.96 2krr h THR 146 Cb 1.83 0.92 -0.08 0.00 -1.74 0.00 0.00 68.15 69.08 2krr h THR 146 CO 0.11 0.00 -0.33 0.15 0.37 0.00 0.00 175.52 175.82 2krr h PHE 147 N 0.00 -0.92 0.21 3.16 3.57 -1.47 0.32 116.94 121.80 2krr h PHE 147 Ca 0.03 0.05 -0.31 0.00 3.53 0.00 0.00 57.97 61.27 2krr h PHE 147 Cb 0.23 0.45 0.02 0.00 2.79 0.00 0.00 35.95 39.44 2krr h PHE 147 CO 0.00 -0.39 -1.44 1.05 -2.23 0.00 0.00 178.31 175.30 2krr h GLU 148 N -0.32 0.44 -0.96 1.11 4.11 -1.70 -1.42 114.58 115.84 2krr h GLU 148 Ca 0.13 -0.75 0.17 0.00 0.07 0.00 0.00 59.36 58.98 2krr h GLU 148 Cb 0.55 0.28 -0.08 0.00 0.50 0.00 0.00 28.75 29.99 2krr h GLU 148 CO -0.46 1.36 0.60 0.93 0.07 0.00 0.00 179.01 181.52 2krr h GLU 149 N 0.00 0.69 0.05 1.06 4.39 -1.21 -1.86 114.58 117.70 2krr h GLU 149 Ca -0.27 -0.04 -0.32 0.00 0.34 0.00 0.00 59.36 59.07 2krr h GLU 149 Cb 2.03 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 30.48 2krr h GLU 149 CO 0.21 0.46 -1.81 0.36 -1.16 0.00 0.00 179.01 177.07 2krr n LYS 150 N -4.63 0.68 -1.62 2.33 -0.00 0.11 -4.93 118.16 110.10 2krr n LYS 150 Ca 0.20 0.29 -0.42 0.00 -0.00 0.00 0.00 58.31 58.38 2krr n LYS 150 Cb 0.53 -1.77 0.00 0.00 -0.00 0.00 0.00 35.03 33.80 2krr n LYS 150 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2krr n GLN 151 N -3.22 1.46 0.00 -1.58 -0.06 -0.53 -2.62 117.38 110.83 2krr n GLN 151 Ca -0.22 0.52 0.00 0.00 -2.00 0.00 0.00 57.00 55.29 2krr n GLN 151 Cb 1.05 -2.03 0.00 0.00 -4.06 0.00 0.00 30.24 25.20 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 1.13 0.17 3.78 1.69 0.00 -1.26 -4.92 105.19 105.78 2krr n GLY 152 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 3.34 -0.10 2.61 -1.32 -1.08 -4.99 115.64 112.10 2krr s THR 153 Ca 0.00 0.43 0.04 0.00 -1.21 0.00 0.00 61.69 60.95 2krr s THR 153 Cb 0.00 -3.03 -0.00 0.00 -1.51 0.00 0.00 72.50 67.96 2krr s THR 153 CO 0.00 -0.57 -0.23 -1.61 -2.21 0.00 0.00 174.62 170.00 2krr s GLU 154 N -4.99 3.05 -0.02 7.08 2.02 -1.26 -3.44 118.70 121.13 2krr s GLU 154 Ca 0.61 -0.86 -0.00 0.00 0.02 0.00 0.00 54.97 54.73 2krr s GLU 154 Cb -0.16 -2.33 0.03 0.00 0.10 0.00 0.00 34.13 31.77 2krr s GLU 154 CO 0.56 0.20 0.03 0.42 0.02 0.00 0.00 175.26 176.49 2krr s ILE 155 N 0.30 -0.06 -1.67 -1.63 1.09 0.92 -4.81 121.20 115.34 2krr s ILE 155 Ca -0.17 0.24 0.00 0.00 -1.10 0.00 0.00 60.65 59.62 2krr s ILE 155 Cb -0.17 -0.09 0.00 0.00 -1.06 0.00 0.00 42.46 41.14 2krr s ILE 155 CO 0.08 0.10 0.00 -0.67 -0.10 0.00 0.00 174.94 174.35 2krr n ASP 156 N 4.28 -4.91 0.00 3.58 -0.08 -1.26 -1.89 116.55 116.27 2krr n ASP 156 Ca -0.26 0.35 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 2krr n ASP 156 Cb 0.50 -3.85 0.00 0.00 2.34 0.00 0.00 41.12 40.11 2krr n ASP 156 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2krr n GLY 157 N -1.01 3.03 3.99 0.27 0.00 -1.26 -5.02 105.19 105.19 2krr n GLY 157 Ca -0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 2krr n GLY 157 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2krr s ARG 158 N -0.26 2.68 -0.33 1.61 1.70 -0.79 -5.06 118.95 118.50 2krr s ARG 158 Ca 0.00 -1.06 -0.09 0.00 -0.47 0.00 0.00 55.73 54.11 2krr s ARG 158 Cb 0.00 -2.64 0.01 0.00 -0.57 0.00 0.00 34.95 31.75 2krr s ARG 158 CO 0.00 -0.49 0.14 -1.12 -1.08 0.00 0.00 175.30 172.75 2krr s SER 159 N -4.39 5.45 0.32 -2.89 0.01 -1.26 -0.06 113.70 110.88 2krr s SER 159 Ca 0.56 -0.78 -0.24 0.00 1.31 0.00 0.00 55.95 56.80 2krr s SER 159 Cb -0.10 -1.96 -0.10 0.00 0.21 0.00 0.00 66.02 64.07 2krr s SER 159 CO 0.36 -0.26 0.91 0.27 0.41 0.00 0.00 173.24 174.92 2krr s ILE 160 N 1.54 4.29 0.46 1.44 -4.36 -1.22 -4.91 121.20 118.43 2krr s ILE 160 Ca 0.03 1.70 0.08 0.00 -0.26 0.00 0.00 60.65 62.19 2krr s ILE 160 Cb -0.18 -3.94 0.01 0.00 1.25 0.00 0.00 42.46 39.59 2krr s ILE 160 CO 0.05 0.10 0.45 -0.44 0.24 0.00 0.00 174.94 175.34 2krr s SER 161 N -1.69 5.03 -0.00 4.36 0.01 -0.77 -4.27 113.70 116.37 2krr s SER 161 Ca 0.50 -0.82 -0.00 0.00 1.31 0.00 0.00 55.95 56.94 2krr s SER 161 Cb -0.17 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.76 2krr s SER 161 CO 0.22 -0.82 0.00 -0.22 0.41 0.00 0.00 173.24 172.83 2krr s LEU 162 N -4.24 1.98 -0.15 2.44 1.98 -1.26 -2.80 118.68 116.62 2krr s LEU 162 Ca 0.48 0.01 -0.07 0.00 -2.89 0.00 0.00 54.13 51.66 2krr s LEU 162 Cb -0.04 0.01 0.06 0.00 0.66 0.00 0.00 46.19 46.89 2krr s LEU 162 CO 0.28 -0.00 0.34 -0.31 -1.89 0.00 0.00 176.35 174.77 2krr s TYR 163 N 0.01 -0.54 0.53 5.38 2.02 0.68 -4.96 117.35 120.47 2krr s TYR 163 Ca -0.00 1.15 -0.19 0.00 -0.37 0.00 0.00 57.07 57.66 2krr s TYR 163 Cb -0.00 0.15 -0.06 0.00 -0.40 0.00 0.00 41.96 41.64 2krr s TYR 163 CO -0.00 -0.35 1.08 1.52 -1.57 0.00 0.00 175.55 176.23 2krr s TYR 164 N 1.91 2.84 -0.29 2.71 -0.85 -1.26 -0.04 117.35 122.36 2krr s TYR 164 Ca -0.05 1.55 -0.34 0.00 -0.52 0.00 0.00 57.07 57.71 2krr s TYR 164 Cb -0.11 -3.15 0.18 0.00 0.38 0.00 0.00 41.96 39.26 2krr s TYR 164 CO -0.11 -1.21 1.38 -0.08 -1.52 0.00 0.00 175.55 174.02 2krr s THR 165 N -1.98 0.00 0.06 -3.49 -1.32 -1.06 -4.81 115.64 103.03 2krr s THR 165 Ca 0.69 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.17 2krr s THR 165 Cb -0.19 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.80 2krr s THR 165 CO 0.26 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.28 2krr n GLY 166 N 0.24 -0.04 3.60 6.08 0.00 -1.21 -4.33 105.19 109.53 2krr n GLY 166 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 2krr n GLY 166 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2krr s GLU 167 N -2.00 0.33 1.03 1.61 -1.05 -1.26 -5.07 118.70 112.29 2krr s GLU 167 Ca 0.00 -0.00 -0.13 0.00 -0.15 0.00 0.00 54.97 54.69 2krr s GLU 167 Cb 0.00 0.15 0.20 0.00 -0.44 0.00 0.00 34.13 34.05 2krr s GLU 167 CO 0.00 -0.12 1.09 -1.25 0.95 0.00 0.00 175.26 175.93 2krr s PRO 168 N -1.59 0.18 1.21 -4.83 0.04 -1.26 -5.04 135.00 123.71 2krr s PRO 168 Ca 0.06 0.44 -0.20 0.00 0.04 0.00 0.00 61.00 61.34 2krr s PRO 168 Cb -0.01 -1.71 0.29 0.00 0.04 0.00 0.00 34.50 33.11 2krr s PRO 168 CO -0.04 -2.88 1.15 0.15 0.04 0.00 0.00 177.00 175.41 2krr s LYS 169 N -4.99 -1.30 0.00 4.56 -0.14 -1.26 -4.75 119.74 111.86 2krr s LYS 169 Ca 0.66 -0.23 0.00 0.00 -1.36 0.00 0.00 55.97 55.04 2krr s LYS 169 Cb -0.18 -1.60 0.00 0.00 -1.68 0.00 0.00 37.83 34.37 2krr s LYS 169 CO 0.58 -3.73 0.00 0.41 -0.76 0.00 0.00 175.35 171.84 2krr n GLY 170 N -1.33 1.64 0.25 -3.33 0.00 -1.26 -5.02 105.19 96.14 2krr n GLY 170 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 0.20 0.88 0.00 1.61 4.11 -1.93 -3.39 114.58 116.06 2krr h GLU 171 Ca 0.00 -0.42 0.00 0.00 0.07 0.00 0.00 59.36 59.01 2krr h GLU 171 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2krr h GLU 171 CO 0.00 1.06 -0.25 0.41 0.07 0.00 0.00 179.01 180.30 2krr n GLY 172 N 0.02 0.32 0.07 1.06 0.00 -1.26 -4.93 105.19 100.46 2krr n GLY 172 Ca -0.02 0.00 -0.06 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 0.00 -0.03 -1.29 0.99 3.38 -1.98 -3.56 115.31 112.83 2krr h LEU 173 Ca 0.00 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2krr h LEU 173 Cb 1.20 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2krr h LEU 173 CO 0.00 0.66 0.00 -0.62 0.09 0.00 0.00 178.44 178.57