#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 0.30 2.61 -1.04 -1.26 -4.90 114.28 109.99 2krr n THR 2 Ca 0.00 0.16 -0.12 0.00 -2.04 0.00 0.00 64.05 62.05 2krr n THR 2 Cb 0.00 -1.14 -0.06 0.00 -1.82 0.00 0.00 70.33 67.31 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 -0.77 -7.38 -2.82 4.39 -2.05 -3.46 114.58 102.50 2krr h GLU 3 Ca 0.00 0.05 -0.43 0.00 0.34 0.00 0.00 59.36 59.32 2krr h GLU 3 Cb 0.00 0.18 0.18 0.00 -0.10 0.00 0.00 28.75 29.00 2krr h GLU 3 CO 0.00 -0.52 0.15 -1.25 -1.16 0.00 0.00 179.01 176.24 2krr s PRO 4 N -4.19 -0.59 -0.12 2.33 0.04 -1.26 -5.02 135.00 126.19 2krr s PRO 4 Ca -0.12 0.16 0.07 0.00 0.04 0.00 0.00 61.00 61.16 2krr s PRO 4 Cb 0.01 -1.65 -0.13 0.00 0.04 0.00 0.00 34.50 32.77 2krr s PRO 4 CO 0.35 -3.34 -0.01 -2.37 0.04 0.00 0.00 177.00 171.67 2krr n THR 5 N -4.54 0.81 -4.66 1.26 5.66 -1.26 -4.89 114.28 106.65 2krr n THR 5 Ca 0.10 -0.44 -0.30 0.00 -3.05 0.00 0.00 64.05 60.36 2krr n THR 5 Cb 0.59 -0.79 -0.09 0.00 -1.55 0.00 0.00 70.33 68.48 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 -2.29 1.41 -0.41 1.09 -1.32 -1.26 -5.00 115.64 107.85 2krr s THR 6 Ca -0.10 -2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 58.36 2krr s THR 6 Cb 0.04 -2.52 0.25 0.00 -1.51 0.00 0.00 72.50 68.76 2krr s THR 6 CO 0.43 0.00 2.09 0.00 -2.21 0.00 0.00 174.62 174.94 2krr n ALA 7 N -1.08 5.52 -3.43 11.08 0.00 -1.26 -4.61 120.51 126.73 2krr n ALA 7 Ca -0.12 -2.20 -0.26 0.00 0.00 0.00 0.00 53.44 50.86 2krr n ALA 7 Cb 0.67 -1.54 -0.09 0.00 0.00 0.00 0.00 19.45 18.49 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 0.12 0.25 -4.32 0.00 3.72 -1.26 -4.96 117.46 111.01 2krr n PHE 8 Ca 0.39 -3.60 -0.22 0.00 -0.05 0.00 0.00 57.45 53.97 2krr n PHE 8 Cb 0.59 -0.10 -0.11 0.00 -0.94 0.00 0.00 39.48 38.92 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 -0.70 2.59 0.04 4.37 0.02 -1.26 -0.07 114.94 119.92 2krr s ASN 9 Ca 0.33 -0.83 0.03 0.00 -1.02 0.00 0.00 52.86 51.37 2krr s ASN 9 Cb 0.07 -0.15 -0.02 0.00 0.02 0.00 0.00 41.25 41.17 2krr s ASN 9 CO -0.16 -0.03 -0.09 -1.48 0.02 0.00 0.00 177.10 175.36 2krr s LEU 10 N -2.53 2.21 -0.28 0.60 0.05 -0.38 -4.83 118.68 113.52 2krr s LEU 10 Ca 0.14 -0.48 -0.28 0.00 0.05 0.00 0.00 54.13 53.56 2krr s LEU 10 Cb -0.06 -0.31 0.01 0.00 -2.05 0.00 0.00 46.19 43.78 2krr s LEU 10 CO 0.06 -0.11 1.01 0.12 -0.55 0.00 0.00 176.35 176.88 2krr s PHE 11 N -1.09 3.24 0.28 3.48 2.19 0.10 -1.55 117.98 124.62 2krr s PHE 11 Ca -0.05 1.24 0.09 0.00 0.33 0.00 0.00 56.93 58.54 2krr s PHE 11 Cb -0.08 -3.43 -0.04 0.00 -1.31 0.00 0.00 43.02 38.15 2krr s PHE 11 CO 0.01 -0.61 0.03 0.14 1.83 0.00 0.00 175.22 176.62 2krr s VAL 12 N 3.34 3.45 0.34 3.12 -7.23 -0.19 0.94 120.40 124.16 2krr s VAL 12 Ca 0.42 -1.84 -0.05 0.00 -1.81 0.00 0.00 61.98 58.71 2krr s VAL 12 Cb -0.14 -2.91 0.02 0.00 0.56 0.00 0.00 36.38 33.91 2krr s VAL 12 CO 0.11 -0.34 0.53 0.61 -0.31 0.00 0.00 175.10 175.70 2krr n GLY 13 N -0.96 1.88 3.58 2.32 0.00 0.13 -1.32 105.19 110.82 2krr n GLY 13 Ca -0.06 -1.50 -0.24 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.61 -4.47 -1.25 1.61 5.15 0.87 -0.06 115.26 115.50 2krr n ASN 14 Ca -0.02 -0.88 0.11 0.00 -0.60 0.00 0.00 54.58 53.19 2krr n ASN 14 Cb 0.55 -4.05 0.29 0.00 -0.53 0.00 0.00 39.78 36.04 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 -3.96 3.79 -1.24 1.20 4.77 0.77 -3.28 117.00 119.05 2krr n LEU 15 Ca -0.15 -1.95 0.00 0.00 -0.03 0.00 0.00 56.01 53.89 2krr n LEU 15 Cb 0.62 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2krr n LEU 15 CO 0.65 0.93 -0.36 -3.20 -1.33 0.00 0.00 177.39 174.09 2krr n ASN 16 N 1.50 -6.82 -3.42 -1.43 5.15 -1.26 -4.85 115.26 104.12 2krr n ASN 16 Ca 0.22 1.12 -0.28 0.00 -0.60 0.00 0.00 54.58 55.04 2krr n ASN 16 Cb 0.60 -3.59 -0.07 0.00 -0.53 0.00 0.00 39.78 36.19 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 -1.36 3.59 0.00 1.20 1.16 -1.22 -4.45 117.46 116.39 2krr n PHE 17 Ca 0.00 -4.02 0.00 0.00 -1.87 0.00 0.00 57.45 51.56 2krr n PHE 17 Cb 0.11 -0.61 0.00 0.00 -1.61 0.00 0.00 39.48 37.37 2krr n PHE 17 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 2krr n ASN 18 N 0.77 2.92 -4.50 5.98 3.02 -1.26 -5.08 115.26 117.12 2krr n ASN 18 Ca 0.30 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.64 2krr n ASN 18 Cb 0.40 0.09 0.11 0.00 -0.61 0.00 0.00 39.78 39.77 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 -2.00 0.04 -1.13 3.52 4.01 -1.26 -5.09 118.16 116.25 2krr n LYS 19 Ca 0.00 -2.66 -0.29 0.00 -0.51 0.00 0.00 58.31 54.84 2krr n LYS 19 Cb 0.34 -0.56 0.15 0.00 -0.51 0.00 0.00 35.03 34.45 2krr n LYS 19 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2krr s SER 20 N -4.80 3.13 0.06 4.39 0.01 -1.26 -4.90 113.70 110.33 2krr s SER 20 Ca 0.62 1.47 -0.35 0.00 1.31 0.00 0.00 55.95 59.00 2krr s SER 20 Cb -0.04 -2.14 -0.20 0.00 0.21 0.00 0.00 66.02 63.85 2krr s SER 20 CO 0.41 -2.85 1.55 0.00 0.41 0.00 0.00 173.24 172.76 2krr h ALA 21 N -1.70 -1.14 0.00 1.44 0.00 -1.98 -2.62 119.26 113.26 2krr h ALA 21 Ca -0.51 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2krr h ALA 21 Cb 1.29 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.53 2krr h ALA 21 CO 0.54 -1.13 0.00 -0.35 0.00 0.00 0.00 179.25 178.31 2krr n PRO 22 N -5.57 0.01 0.14 0.00 -0.04 -1.26 -2.14 135.00 126.13 2krr n PRO 22 Ca -0.15 0.25 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 2krr n PRO 22 Cb 0.46 -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 0.14 0.54 4.39 -1.84 -3.32 114.58 114.50 2krr h GLU 23 Ca 0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 2krr h GLU 23 Cb 0.24 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.91 2krr h GLU 23 CO 0.00 0.00 -1.26 -0.07 -1.16 0.00 0.00 179.01 176.52 2krr h LEU 24 N 0.00 0.69 -0.67 1.33 4.07 -1.16 -3.31 115.31 116.25 2krr h LEU 24 Ca 0.00 -0.68 0.13 0.00 0.08 0.00 0.00 57.88 57.41 2krr h LEU 24 Cb 0.90 -0.22 -0.09 0.00 1.08 0.00 0.00 40.66 42.33 2krr h LEU 24 CO 0.00 1.51 0.21 0.11 -1.08 0.00 0.00 178.44 179.19 2krr h LYS 25 N 0.18 0.34 0.07 1.13 1.57 -1.67 -1.49 116.57 116.70 2krr h LYS 25 Ca -0.18 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2krr h LYS 25 Cb 1.95 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 34.14 2krr h LYS 25 CO 0.23 0.22 -0.44 1.15 -0.57 0.00 0.00 179.45 180.04 2krr h THR 26 N 0.35 0.00 -0.44 -0.16 2.02 -1.72 0.14 112.91 113.10 2krr h THR 26 Ca 0.36 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.62 2krr h THR 26 Cb 0.54 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.88 2krr h THR 26 CO -0.40 0.00 0.04 1.23 0.37 0.00 0.00 175.52 176.76 2krr h GLY 27 N -0.61 0.49 0.31 2.16 0.00 -1.59 0.29 103.07 104.12 2krr h GLY 27 Ca -0.00 0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.41 2krr h GLY 27 CO -0.25 -0.09 -0.12 -2.22 0.00 0.00 0.00 176.54 173.86 2krr h ILE 28 N 0.16 0.60 0.00 2.60 2.04 -0.87 0.47 117.51 122.51 2krr h ILE 28 Ca 0.22 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.08 2krr h ILE 28 Cb 0.30 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2krr h ILE 28 CO -0.33 0.00 0.00 0.77 0.00 0.00 0.00 178.15 178.59 2krr h SER 29 N -0.08 0.00 0.47 1.72 4.64 -0.42 -3.21 113.55 116.67 2krr h SER 29 Ca 0.15 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 2krr h SER 29 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2krr h SER 29 CO -0.34 0.00 -0.22 -0.78 -0.87 0.00 0.00 176.83 174.61 2krr h ASP 30 N 0.00 -0.53 -0.99 4.97 1.82 0.17 -2.14 116.42 119.71 2krr h ASP 30 Ca 0.00 -0.04 0.24 0.00 -0.39 0.00 0.00 57.03 56.84 2krr h ASP 30 Cb 0.59 0.14 -0.09 0.00 0.68 0.00 0.00 39.33 40.65 2krr h ASP 30 CO 0.00 -0.11 0.64 1.62 -1.61 0.00 0.00 179.24 179.78 2krr h VAL 31 N -1.11 0.60 -0.20 2.25 3.04 -1.29 0.25 116.25 119.79 2krr h VAL 31 Ca -0.06 -0.15 -0.15 0.00 -1.01 0.00 0.00 66.70 65.32 2krr h VAL 31 Cb 0.53 0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 29.92 2krr h VAL 31 CO 0.11 0.08 -0.50 -0.26 -1.01 0.00 0.00 177.57 175.99 2krr h PHE 32 N 0.44 0.67 -0.00 3.17 0.04 -1.56 -2.91 116.94 116.80 2krr h PHE 32 Ca 0.55 -0.22 0.00 0.00 2.80 0.00 0.00 57.97 61.10 2krr h PHE 32 Cb 1.32 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 39.34 2krr h PHE 32 CO -0.00 0.94 0.00 0.00 -0.60 0.00 0.00 178.31 178.65 2krr h ALA 33 N 1.02 1.75 0.00 2.45 0.00 0.19 0.28 119.26 124.95 2krr h ALA 33 Ca 0.02 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2krr h ALA 33 Cb 1.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2krr h ALA 33 CO 0.09 -0.00 -0.30 1.57 0.00 0.00 0.00 179.25 180.61 2krr h LYS 34 N 0.00 0.00 -0.89 0.00 2.10 -1.29 -3.16 116.57 113.33 2krr h LYS 34 Ca 0.00 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.37 2krr h LYS 34 Cb 0.01 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 31.17 2krr h LYS 34 CO -0.00 0.30 0.36 0.09 -2.00 0.00 0.00 179.45 178.20 2krr n ASN 35 N -3.22 3.98 -2.21 7.07 3.02 -0.08 -4.86 115.26 118.97 2krr n ASN 35 Ca 0.02 -3.11 -0.21 0.00 -0.03 0.00 0.00 54.58 51.25 2krr n ASN 35 Cb 0.61 -0.73 -0.03 0.00 -0.61 0.00 0.00 39.78 39.02 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 -0.40 -5.75 -4.47 6.41 9.92 -1.19 -4.96 116.55 116.12 2krr n ASP 36 Ca 0.40 0.11 -0.35 0.00 -0.53 0.00 0.00 54.79 54.42 2krr n ASP 36 Cb 1.30 -4.85 -0.12 0.00 -0.64 0.00 0.00 41.12 36.81 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 -5.72 3.33 -0.27 0.64 1.43 -0.25 -5.02 118.68 112.82 2krr s LEU 37 Ca 0.00 -0.17 -0.07 0.00 -1.03 0.00 0.00 54.13 52.86 2krr s LEU 37 Cb 0.00 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 2krr s LEU 37 CO 0.00 0.07 0.08 0.00 0.23 0.00 0.00 176.35 176.73 2krr s ALA 38 N 0.97 3.13 0.03 4.21 0.00 -1.26 -3.09 121.76 125.74 2krr s ALA 38 Ca 0.02 -1.28 -0.09 0.00 0.00 0.00 0.00 51.96 50.60 2krr s ALA 38 Cb -0.14 -2.14 -0.05 0.00 0.00 0.00 0.00 23.12 20.79 2krr s ALA 38 CO 0.02 -0.70 0.34 0.14 0.00 0.00 0.00 175.76 175.56 2krr s VAL 39 N 1.57 5.18 -0.07 0.00 -7.23 -1.26 -3.19 120.40 115.40 2krr s VAL 39 Ca 0.05 0.41 0.14 0.00 -1.81 0.00 0.00 61.98 60.77 2krr s VAL 39 Cb -0.16 -3.61 -0.22 0.00 0.56 0.00 0.00 36.38 32.94 2krr s VAL 39 CO 0.03 0.39 0.61 1.33 -0.31 0.00 0.00 175.10 177.16 2krr n VAL 40 N 1.23 1.54 -3.64 1.32 0.24 0.12 -4.87 118.33 114.26 2krr n VAL 40 Ca -0.11 -0.79 -0.07 0.00 -2.04 0.00 0.00 64.34 61.33 2krr n VAL 40 Cb 0.53 -0.94 -0.07 0.00 -1.47 0.00 0.00 33.84 31.88 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 -5.99 -0.31 -0.01 -1.34 2.15 -1.21 -4.98 116.67 104.98 2krr s ASP 41 Ca -0.05 0.60 0.07 0.00 0.43 0.00 0.00 52.55 53.60 2krr s ASP 41 Cb 0.08 0.61 -0.02 0.00 -0.30 0.00 0.00 42.92 43.29 2krr s ASP 41 CO 0.82 -0.10 -0.23 -0.69 -0.17 0.00 0.00 175.17 174.80 2krr s VAL 42 N 0.17 2.32 0.11 1.11 1.01 -1.26 -0.12 120.40 123.73 2krr s VAL 42 Ca 0.05 -1.07 0.09 0.00 0.00 0.00 0.00 61.98 61.04 2krr s VAL 42 Cb -0.05 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 2krr s VAL 42 CO -0.10 0.54 -0.20 -0.60 0.00 0.00 0.00 175.10 174.74 2krr s ARG 43 N -0.77 1.74 0.09 2.72 6.06 0.79 -4.95 118.95 124.62 2krr s ARG 43 Ca 0.11 -1.19 0.07 0.00 -2.50 0.00 0.00 55.73 52.22 2krr s ARG 43 Cb -0.10 -2.08 -0.03 0.00 0.06 0.00 0.00 34.95 32.80 2krr s ARG 43 CO 0.00 0.48 -0.20 0.42 -2.50 0.00 0.00 175.30 173.51 2krr s ILE 44 N -1.09 1.59 0.41 4.11 -1.09 -1.26 -0.16 121.20 123.69 2krr s ILE 44 Ca 0.17 -1.46 -0.06 0.00 -2.23 0.00 0.00 60.65 57.06 2krr s ILE 44 Cb -0.10 -1.45 0.09 0.00 -1.58 0.00 0.00 42.46 39.42 2krr s ILE 44 CO 0.09 -0.07 0.55 0.61 -1.23 0.00 0.00 174.94 174.89 2krr n GLY 45 N 1.20 -1.03 0.14 6.18 0.00 0.14 -4.90 105.19 106.91 2krr n GLY 45 Ca -0.20 -1.73 -0.22 0.00 0.00 0.00 0.00 46.02 43.87 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 0.46 0.00 1.61 -0.00 -2.02 -3.23 114.93 111.75 2krr h MET 46 Ca -0.18 -0.78 0.00 0.00 -0.00 0.00 0.00 59.70 58.74 2krr h MET 46 Cb 0.51 0.29 0.00 0.00 -0.00 0.00 0.00 31.60 32.40 2krr h MET 46 CO 0.13 1.37 0.00 -2.37 -0.00 0.00 0.00 176.91 176.04 2krr n THR 47 N -3.65 0.75 -2.22 -0.10 5.66 -1.26 -4.86 114.28 108.59 2krr n THR 47 Ca -0.16 0.19 -0.20 0.00 -3.05 0.00 0.00 64.05 60.83 2krr n THR 47 Cb 1.08 -0.89 -0.03 0.00 -1.55 0.00 0.00 70.33 68.95 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 -1.47 -1.57 -0.00 1.09 5.12 -1.22 -4.79 116.66 113.81 2krr n ARG 48 Ca 0.05 1.03 0.03 0.00 -1.93 0.00 0.00 57.85 57.02 2krr n ARG 48 Cb 0.20 -5.60 -0.04 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 -2.84 0.38 -4.14 5.56 3.00 -1.26 -3.45 118.16 115.41 2krr n LYS 49 Ca -0.23 -0.05 -0.15 0.00 -0.00 0.00 0.00 58.31 57.88 2krr n LYS 49 Cb 0.68 -1.11 -0.06 0.00 0.00 0.00 0.00 35.03 34.54 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 -2.34 1.17 -0.40 5.64 -0.71 -1.26 -0.09 117.98 119.99 2krr s PHE 50 Ca -0.02 -1.34 0.00 0.00 -1.04 0.00 0.00 56.93 54.53 2krr s PHE 50 Cb 0.04 -0.25 0.00 0.00 -1.21 0.00 0.00 43.02 41.59 2krr s PHE 50 CO 0.23 -1.02 0.00 0.41 -1.34 0.00 0.00 175.22 173.50 2krr n GLY 51 N -0.53 -0.82 3.10 1.99 0.00 -0.43 0.24 105.19 108.73 2krr n GLY 51 Ca 0.02 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 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 0.40 -0.07 1.61 1.51 0.77 -1.02 117.35 116.55 2krr s TYR 52 Ca 0.00 -0.87 -0.01 0.00 -1.01 0.00 0.00 57.07 55.18 2krr s TYR 52 Cb 0.00 -0.29 0.03 0.00 -0.11 0.00 0.00 41.96 41.59 2krr s TYR 52 CO 0.00 -0.39 -0.02 0.08 -1.11 0.00 0.00 175.55 174.11 2krr s VAL 53 N -3.56 0.47 -0.16 0.71 1.01 -0.60 -0.15 120.40 118.12 2krr s VAL 53 Ca 0.03 0.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.95 2krr s VAL 53 Cb 0.05 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.80 2krr s VAL 53 CO -0.09 0.26 0.13 -1.81 0.00 0.00 0.00 175.10 173.59 2krr s ASP 54 N 1.64 6.29 0.19 3.32 1.01 0.82 -1.25 116.67 128.70 2krr s ASP 54 Ca 0.00 0.34 0.09 0.00 0.71 0.00 0.00 52.55 53.69 2krr s ASP 54 Cb -0.13 -2.08 -0.04 0.00 1.01 0.00 0.00 42.92 41.68 2krr s ASP 54 CO -0.04 0.28 -0.11 -0.36 0.21 0.00 0.00 175.17 175.15 2krr s PHE 55 N -0.26 2.58 0.14 4.23 0.40 0.90 -0.71 117.98 125.27 2krr s PHE 55 Ca 0.11 -0.24 -0.27 0.00 -0.60 0.00 0.00 56.93 55.93 2krr s PHE 55 Cb -0.11 -1.25 -0.02 0.00 0.51 0.00 0.00 43.02 42.15 2krr s PHE 55 CO 0.01 0.53 1.59 0.93 0.70 0.00 0.00 175.22 178.98 2krr h GLU 56 N 2.84 -0.38 -4.82 0.44 5.08 -1.86 -3.42 114.58 112.46 2krr h GLU 56 Ca -0.46 0.03 -0.30 0.00 -1.00 0.00 0.00 59.36 57.63 2krr h GLU 56 Cb 1.21 0.09 -0.15 0.00 0.50 0.00 0.00 28.75 30.40 2krr h GLU 56 CO 0.54 -0.26 -0.66 -1.12 -1.00 0.00 0.00 179.01 176.52 2krr s SER 57 N -4.95 1.23 0.54 1.42 0.01 -1.26 -4.92 113.70 105.78 2krr s SER 57 Ca -0.15 -1.20 0.30 0.00 1.31 0.00 0.00 55.95 56.21 2krr s SER 57 Cb 0.11 0.12 1.46 0.00 0.21 0.00 0.00 66.02 67.92 2krr s SER 57 CO 0.66 -0.58 1.92 0.00 0.41 0.00 0.00 173.24 175.64 2krr h ALA 58 N 2.66 2.66 0.43 1.44 0.00 -1.93 -1.84 119.26 122.67 2krr h ALA 58 Ca -0.37 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2krr h ALA 58 Cb 1.21 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2krr h ALA 58 CO 0.62 -0.93 -0.41 0.93 0.00 0.00 0.00 179.25 179.47 2krr h GLU 59 N 0.00 -0.82 -0.82 0.00 5.08 -1.97 0.20 114.58 116.25 2krr h GLU 59 Ca 0.35 0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.73 2krr h GLU 59 Cb 1.44 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.84 2krr h GLU 59 CO -0.00 -0.54 0.38 -0.44 -1.00 0.00 0.00 179.01 177.40 2krr h ASP 60 N -0.85 1.08 0.18 1.42 3.32 -1.74 0.17 116.42 119.99 2krr h ASP 60 Ca -0.04 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 2krr h ASP 60 Cb 0.75 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 2krr h ASP 60 CO -0.05 0.92 -0.11 0.25 -1.72 0.00 0.00 179.24 178.52 2krr h LEU 61 N 1.17 -0.29 -0.91 1.55 6.46 -1.11 -2.64 115.31 119.55 2krr h LEU 61 Ca 0.28 0.02 -0.11 0.00 -0.12 0.00 0.00 57.88 57.95 2krr h LEU 61 Cb 0.13 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 2krr h LEU 61 CO -0.03 -0.19 -0.44 -0.33 -0.62 0.00 0.00 178.44 176.83 2krr h GLU 62 N -0.29 0.23 -0.47 1.25 5.08 -0.47 -3.15 114.58 116.77 2krr h GLU 62 Ca -0.01 -0.12 0.09 0.00 -1.00 0.00 0.00 59.36 58.32 2krr h GLU 62 Cb 0.24 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.42 2krr h GLU 62 CO 0.01 0.63 -0.02 0.87 -1.00 0.00 0.00 179.01 179.51 2krr h LYS 63 N 0.19 0.09 -0.54 2.33 1.79 -0.33 0.84 116.57 120.95 2krr h LYS 63 Ca 0.01 -0.01 0.11 0.00 -2.18 0.00 0.00 60.65 58.58 2krr h LYS 63 Cb 0.86 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.46 2krr h LYS 63 CO 0.07 0.06 0.37 0.00 -1.08 0.00 0.00 179.45 178.86 2krr h ALA 64 N 1.43 2.14 0.00 3.86 0.00 -1.44 0.31 119.26 125.56 2krr h ALA 64 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2krr h ALA 64 Cb 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2krr h ALA 64 CO -0.41 -0.27 0.00 -0.07 0.00 0.00 0.00 179.25 178.50 2krr h LEU 65 N 0.27 0.00 0.00 0.00 3.38 -0.94 -3.29 115.31 114.73 2krr h LEU 65 Ca 0.25 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.00 2krr h LEU 65 Cb 0.63 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2krr h LEU 65 CO -0.05 0.00 -1.32 -0.62 0.09 0.00 0.00 178.44 176.54 2krr n GLU 66 N -2.68 0.55 -0.68 1.13 -0.58 0.93 -4.97 120.64 114.33 2krr n GLU 66 Ca 0.03 0.51 -0.30 0.00 -0.42 0.00 0.00 57.16 56.98 2krr n GLU 66 Cb 0.36 -1.69 0.26 0.00 -0.57 0.00 0.00 31.44 29.80 2krr n GLU 66 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 2krr s LEU 67 N -7.88 -0.00 0.29 -4.62 0.05 -0.23 -5.08 118.68 101.22 2krr s LEU 67 Ca -0.28 0.94 -0.00 0.00 0.05 0.00 0.00 54.13 54.84 2krr s LEU 67 Cb 0.07 -2.61 -0.02 0.00 -2.05 0.00 0.00 46.19 41.57 2krr s LEU 67 CO 0.50 -4.61 0.32 0.28 -0.55 0.00 0.00 176.35 172.30 2krr s THR 68 N -2.58 0.00 0.00 5.48 -1.32 -1.26 -4.93 115.64 111.03 2krr s THR 68 Ca 0.69 -1.81 0.00 0.00 -1.21 0.00 0.00 61.69 59.36 2krr s THR 68 Cb -0.15 -2.51 0.00 0.00 -1.51 0.00 0.00 72.50 68.33 2krr s THR 68 CO 0.59 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.61 2krr n GLY 69 N -0.49 0.69 3.44 6.08 0.00 -1.26 -5.05 105.19 108.61 2krr n GLY 69 Ca 0.03 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.40 4.05 0.04 0.99 1.43 -1.26 -5.07 118.68 117.45 2krr s LEU 70 Ca 0.00 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.54 2krr s LEU 70 Cb 0.00 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 2krr s LEU 70 CO 0.00 -0.18 0.09 -1.59 0.23 0.00 0.00 176.35 174.90 2krr s LYS 71 N 1.61 0.60 -0.07 1.70 0.00 -1.26 -2.70 119.74 119.62 2krr s LYS 71 Ca 0.05 -0.78 -0.03 0.00 0.00 0.00 0.00 55.97 55.21 2krr s LYS 71 Cb -0.17 0.23 0.04 0.00 0.00 0.00 0.00 37.83 37.93 2krr s LYS 71 CO 0.06 -0.15 0.16 0.08 0.00 0.00 0.00 175.35 175.50 2krr s VAL 72 N -2.70 -0.05 -1.62 1.79 1.01 0.72 -4.74 120.40 114.81 2krr s VAL 72 Ca -0.04 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 2krr s VAL 72 Cb -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.11 2krr s VAL 72 CO -0.05 0.07 0.12 0.49 0.00 0.00 0.00 175.10 175.73 2krr n PHE 73 N 4.21 -1.26 0.00 5.22 3.72 -1.26 -2.06 117.46 126.03 2krr n PHE 73 Ca -0.26 0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 2krr n PHE 73 Cb 0.52 -3.86 0.00 0.00 -0.94 0.00 0.00 39.48 35.20 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 -1.08 2.44 3.74 1.37 0.00 -1.26 -5.00 105.19 105.39 2krr n GLY 74 Ca -0.20 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 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 7.16 -0.41 1.61 0.01 -0.87 -4.98 114.94 117.46 2krr s ASN 75 Ca 0.00 2.15 -0.29 0.00 -0.71 0.00 0.00 52.86 54.01 2krr s ASN 75 Cb 0.00 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.08 2krr s ASN 75 CO 0.00 -0.31 1.14 -0.70 -1.51 0.00 0.00 177.10 175.71 2krr s GLU 76 N -0.19 3.85 0.77 -0.60 2.12 -1.26 -0.20 118.70 123.19 2krr s GLU 76 Ca 0.52 0.80 -0.13 0.00 0.36 0.00 0.00 54.97 56.52 2krr s GLU 76 Cb -0.31 -3.85 0.06 0.00 0.26 0.00 0.00 34.13 30.29 2krr s GLU 76 CO 0.35 -1.21 1.15 0.96 -0.54 0.00 0.00 175.26 175.98 2krr s ILE 77 N 4.21 2.60 -0.17 -3.70 -5.25 -1.10 -4.78 121.20 113.01 2krr s ILE 77 Ca 0.48 0.25 0.00 0.00 -0.99 0.00 0.00 60.65 60.39 2krr s ILE 77 Cb -0.10 -2.66 0.01 0.00 2.95 0.00 0.00 42.46 42.66 2krr s ILE 77 CO 0.25 -0.20 -0.16 -0.54 -1.79 0.00 0.00 174.94 172.50 2krr s LYS 78 N -4.31 3.13 -0.09 0.37 -0.14 0.91 -4.83 119.74 114.79 2krr s LYS 78 Ca 0.69 -0.78 -0.14 0.00 -1.36 0.00 0.00 55.97 54.38 2krr s LYS 78 Cb -0.24 -2.63 -0.05 0.00 -1.68 0.00 0.00 37.83 33.24 2krr s LYS 78 CO 0.50 -0.09 0.33 -0.51 -0.76 0.00 0.00 175.35 174.81 2krr s LEU 79 N 1.07 4.35 0.27 3.17 1.02 -1.26 0.22 118.68 127.51 2krr s LEU 79 Ca -0.01 0.70 -0.13 0.00 0.02 0.00 0.00 54.13 54.71 2krr s LEU 79 Cb -0.14 -2.43 0.00 0.00 0.02 0.00 0.00 46.19 43.63 2krr s LEU 79 CO -0.05 0.22 0.52 -1.61 0.02 0.00 0.00 176.35 175.45 2krr s GLU 80 N -0.31 1.64 -0.07 1.70 2.02 0.27 -4.99 118.70 118.95 2krr s GLU 80 Ca 0.20 -1.28 -0.03 0.00 0.02 0.00 0.00 54.97 53.89 2krr s GLU 80 Cb -0.14 0.49 -0.04 0.00 0.10 0.00 0.00 34.13 34.54 2krr s GLU 80 CO 0.08 -0.70 0.05 -1.59 0.02 0.00 0.00 175.26 173.13 2krr s LYS 81 N -3.84 3.10 0.86 1.61 0.00 -1.26 0.01 119.74 120.22 2krr s LYS 81 Ca 0.22 -0.37 -0.14 0.00 0.00 0.00 0.00 55.97 55.67 2krr s LYS 81 Cb -0.01 -2.90 0.21 0.00 0.00 0.00 0.00 37.83 35.13 2krr s LYS 81 CO 0.10 0.71 0.76 -0.35 0.00 0.00 0.00 175.35 176.57 2krr n PRO 82 N 1.85 -2.51 -3.61 1.78 -0.04 -1.26 -4.78 135.00 126.43 2krr n PRO 82 Ca -0.17 -1.22 -0.13 0.00 -0.04 0.00 0.00 63.50 61.93 2krr n PRO 82 Cb 0.54 -1.14 -0.04 0.00 -0.04 0.00 0.00 33.50 32.81 2krr n PRO 82 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2krr n LYS 83 N -3.84 0.48 -4.16 0.54 2.85 -1.26 -5.05 118.16 107.72 2krr n LYS 83 Ca 0.11 -2.40 -0.11 0.00 -1.05 0.00 0.00 58.31 54.86 2krr n LYS 83 Cb 0.41 2.17 -0.10 0.00 -0.65 0.00 0.00 35.03 36.87 2krr n LYS 83 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2krr s GLY 84 N -2.79 1.15 -0.57 2.58 0.00 -1.26 -5.09 107.32 101.34 2krr s GLY 84 Ca 0.26 -1.52 0.06 0.00 0.00 0.00 0.00 44.72 43.53 2krr s GLY 84 CO 0.19 -1.32 0.80 0.58 0.00 0.00 0.00 173.10 173.35 2krr n LYS 85 N -0.19 2.50 -3.09 2.90 2.85 -1.26 -5.05 118.16 116.82 2krr n LYS 85 Ca -0.02 -4.50 -0.29 0.00 -1.05 0.00 0.00 58.31 52.45 2krr n LYS 85 Cb 0.65 -2.10 -0.03 0.00 -0.65 0.00 0.00 35.03 32.89 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 -2.74 6.48 0.61 -5.58 1.11 -1.26 -4.96 116.67 110.33 2krr s ASP 86 Ca 0.43 0.92 0.32 0.00 0.18 0.00 0.00 52.55 54.40 2krr s ASP 86 Cb 0.22 -2.23 1.80 0.00 1.07 0.00 0.00 42.92 43.78 2krr s ASP 86 CO -0.08 -0.30 2.14 0.77 1.18 0.00 0.00 175.17 178.88 2krr h SER 87 N 1.43 0.00 -0.10 0.27 4.64 -2.04 -0.29 113.55 117.46 2krr h SER 87 Ca -0.47 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.87 2krr h SER 87 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2krr h SER 87 CO 0.65 0.00 0.15 0.07 -0.87 0.00 0.00 176.83 176.83 2krr h LYS 88 N 0.00 0.00 -0.24 4.77 2.10 -2.01 -0.73 116.57 120.46 2krr h LYS 88 Ca 0.05 0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.77 2krr h LYS 88 Cb 0.39 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.71 2krr h LYS 88 CO -0.00 0.00 0.27 1.57 -2.00 0.00 0.00 179.45 179.29 2krr h LYS 89 N 0.00 0.00 0.48 0.07 2.10 -1.42 0.21 116.57 118.00 2krr h LYS 89 Ca 0.05 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.68 2krr h LYS 89 Cb 0.35 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.68 2krr h LYS 89 CO -0.00 0.00 -0.29 0.93 -2.00 0.00 0.00 179.45 178.09 2krr h GLU 90 N 0.00 -0.71 0.06 0.07 4.39 -1.35 0.22 114.58 117.27 2krr h GLU 90 Ca 0.11 0.05 -0.26 0.00 0.34 0.00 0.00 59.36 59.61 2krr h GLU 90 Cb 0.65 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 2krr h GLU 90 CO -0.00 -0.47 -1.25 -0.09 -1.16 0.00 0.00 179.01 176.03 2krr h ARG 91 N -0.74 0.13 0.00 2.33 2.43 -1.60 -3.22 114.38 113.72 2krr h ARG 91 Ca -0.05 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2krr h ARG 91 Cb 0.60 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2krr h ARG 91 CO 0.06 1.04 0.00 -0.25 -1.51 0.00 0.00 179.97 179.30 2krr n ASP 92 N -3.39 0.00 0.33 -3.80 9.92 0.66 -3.03 116.55 117.24 2krr n ASP 92 Ca -0.08 0.37 0.21 0.00 -0.53 0.00 0.00 54.79 54.77 2krr n ASP 92 Cb 1.00 -0.44 1.15 0.00 -0.64 0.00 0.00 41.12 42.18 2krr n ASP 92 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2krr h ALA 93 N 2.73 1.10 -0.37 2.24 0.00 -0.56 -2.68 119.26 121.72 2krr h ALA 93 Ca 0.00 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2krr h ALA 93 Cb 0.29 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 2krr h ALA 93 CO 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 179.25 179.04 2krr h ARG 94 N 0.00 -0.10 -5.83 0.00 3.08 -1.79 -3.38 114.38 106.36 2krr h ARG 94 Ca 0.00 0.01 -0.58 0.00 0.07 0.00 0.00 59.98 59.48 2krr h ARG 94 Cb 0.08 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.08 2krr h ARG 94 CO -0.00 -0.07 -0.14 0.99 -1.07 0.00 0.00 179.97 179.68 2krr s THR 95 N -6.16 5.12 0.29 2.04 2.01 -1.01 -1.17 115.64 116.76 2krr s THR 95 Ca -0.14 0.95 0.08 0.00 0.31 0.00 0.00 61.69 62.89 2krr s THR 95 Cb 0.14 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 2krr s THR 95 CO 0.70 0.39 0.14 -0.76 -0.69 0.00 0.00 174.62 174.40 2krr s LEU 96 N 0.16 3.49 -0.04 4.42 2.01 0.12 -1.78 118.68 127.06 2krr s LEU 96 Ca 0.26 -0.51 0.03 0.00 0.01 0.00 0.00 54.13 53.92 2krr s LEU 96 Cb -0.16 -2.02 0.00 0.00 0.01 0.00 0.00 46.19 44.02 2krr s LEU 96 CO 0.12 -0.13 -0.12 -0.22 1.01 0.00 0.00 176.35 177.00 2krr s LEU 97 N -3.82 1.80 0.03 1.79 1.98 0.88 -1.33 118.68 120.01 2krr s LEU 97 Ca 0.35 -0.26 0.00 0.00 -2.89 0.00 0.00 54.13 51.33 2krr s LEU 97 Cb -0.06 -0.75 -0.04 0.00 0.66 0.00 0.00 46.19 46.00 2krr s LEU 97 CO 0.23 0.09 0.11 0.00 -1.89 0.00 0.00 176.35 174.89 2krr s ALA 98 N 0.23 3.68 0.27 5.97 0.00 -0.59 0.30 121.76 131.62 2krr s ALA 98 Ca -0.05 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.04 2krr s ALA 98 Cb -0.11 -1.61 -0.03 0.00 0.00 0.00 0.00 23.12 21.37 2krr s ALA 98 CO 0.02 0.73 0.24 0.15 0.00 0.00 0.00 175.76 176.90 2krr s LYS 99 N -2.05 1.53 -1.14 0.00 1.02 -0.71 -3.37 119.74 115.02 2krr s LYS 99 Ca 0.27 -1.81 -0.03 0.00 0.02 0.00 0.00 55.97 54.41 2krr s LYS 99 Cb -0.12 0.32 -0.03 0.00 -0.52 0.00 0.00 37.83 37.47 2krr s LYS 99 CO 0.19 -0.55 0.95 -1.71 -0.92 0.00 0.00 175.35 173.31 2krr n ASN 100 N -0.97 -4.08 -4.26 2.83 5.15 -1.26 -2.13 115.26 110.53 2krr n ASN 100 Ca 0.04 -0.67 -0.29 0.00 -0.60 0.00 0.00 54.58 53.06 2krr n ASN 100 Cb 0.64 -5.10 -0.16 0.00 -0.53 0.00 0.00 39.78 34.63 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 -5.95 2.04 0.77 1.20 1.43 -1.26 -4.13 118.68 112.78 2krr s LEU 101 Ca 0.21 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.79 2krr s LEU 101 Cb -0.03 -1.19 0.06 0.00 0.03 0.00 0.00 46.19 45.05 2krr s LEU 101 CO 0.74 0.28 1.09 -2.16 0.23 0.00 0.00 176.35 176.54 2krr s PRO 102 N -0.54 2.26 0.21 1.29 0.04 -1.26 -4.49 135.00 132.51 2krr s PRO 102 Ca 0.09 1.17 0.21 0.00 0.04 0.00 0.00 61.00 62.51 2krr s PRO 102 Cb -0.09 -1.90 0.90 0.00 0.04 0.00 0.00 34.50 33.46 2krr s PRO 102 CO -0.01 -1.64 1.65 0.66 0.04 0.00 0.00 177.00 177.70 2krr n TYR 103 N -3.52 0.64 -0.95 0.56 4.01 -1.26 -1.91 117.16 114.72 2krr n TYR 103 Ca 0.09 0.25 0.08 0.00 -0.16 0.00 0.00 57.90 58.16 2krr n TYR 103 Cb 0.53 -0.91 0.34 0.00 -0.31 0.00 0.00 39.34 38.99 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 -2.08 4.04 -3.26 -0.72 2.85 -1.26 -3.49 118.16 114.24 2krr n LYS 104 Ca 0.02 -3.03 -0.27 0.00 -1.05 0.00 0.00 58.31 53.98 2krr n LYS 104 Cb 0.21 -2.09 -0.02 0.00 -0.65 0.00 0.00 35.03 32.48 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 -2.81 5.04 0.17 0.58 0.11 -0.80 -5.11 120.40 117.57 2krr s VAL 105 Ca 0.49 -0.12 0.01 0.00 -2.93 0.00 0.00 61.98 59.43 2krr s VAL 105 Cb 0.39 -3.80 -0.04 0.00 -1.53 0.00 0.00 36.38 31.40 2krr s VAL 105 CO 0.13 -0.47 0.04 -0.89 -3.33 0.00 0.00 175.10 170.57 2krr s THR 106 N -2.25 0.42 0.26 5.04 2.01 -1.26 -4.82 115.64 115.04 2krr s THR 106 Ca 0.43 -1.96 -0.04 0.00 0.31 0.00 0.00 61.69 60.44 2krr s THR 106 Cb -0.10 -2.15 0.30 0.00 0.01 0.00 0.00 72.50 70.56 2krr s THR 106 CO 0.34 -0.41 1.63 1.56 -0.69 0.00 0.00 174.62 177.05 2krr h GLN 107 N 2.73 0.12 -1.01 4.92 4.20 -1.98 0.51 115.11 124.60 2krr h GLN 107 Ca -0.36 -0.01 0.23 0.00 0.06 0.00 0.00 58.65 58.57 2krr h GLN 107 Cb 1.21 -0.03 -0.10 0.00 0.30 0.00 0.00 27.48 28.86 2krr h GLN 107 CO 0.61 0.08 0.63 0.22 -0.67 0.00 0.00 178.83 179.69 2krr h ASP 108 N 0.12 0.60 -0.96 1.46 1.82 -1.97 0.25 116.42 117.73 2krr h ASP 108 Ca 0.47 0.09 0.24 0.00 -0.39 0.00 0.00 57.03 57.44 2krr h ASP 108 Cb 0.88 -0.01 -0.07 0.00 0.68 0.00 0.00 39.33 40.81 2krr h ASP 108 CO -0.69 0.16 0.64 1.05 -1.61 0.00 0.00 179.24 178.78 2krr h GLU 109 N 0.55 0.32 0.05 0.28 -0.00 -0.38 0.40 114.58 115.81 2krr h GLU 109 Ca 0.59 -0.02 -0.30 0.00 -0.00 0.00 0.00 59.36 59.62 2krr h GLU 109 Cb 1.22 -0.07 -0.03 0.00 -0.00 0.00 0.00 28.75 29.87 2krr h GLU 109 CO -0.35 0.21 -1.68 -0.07 -0.00 0.00 0.00 179.01 177.12 2krr h LEU 110 N 0.33 0.17 -0.66 3.06 3.38 -0.62 -3.31 115.31 117.66 2krr h LEU 110 Ca 0.51 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2krr h LEU 110 Cb 1.41 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2krr h LEU 110 CO -0.18 1.28 0.00 2.29 0.09 0.00 0.00 178.44 181.92 2krr n LYS 111 N -3.24 0.10 0.00 1.13 2.85 0.03 -1.43 118.16 117.60 2krr n LYS 111 Ca -0.19 0.48 0.11 0.00 -1.05 0.00 0.00 58.31 57.66 2krr n LYS 111 Cb 1.04 -1.75 0.54 0.00 -0.65 0.00 0.00 35.03 34.21 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 -1.95 0.26 0.01 -1.58 1.02 -0.60 -2.84 120.64 114.96 2krr n GLU 112 Ca 0.01 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 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 -1.32 0.09 -1.38 2.62 0.24 -0.51 -4.84 118.33 113.23 2krr n VAL 113 Ca 0.10 0.03 -0.26 0.00 -2.04 0.00 0.00 64.34 62.16 2krr n VAL 113 Cb 0.19 -0.91 -0.01 0.00 -1.47 0.00 0.00 33.84 31.64 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 -2.58 1.85 0.31 6.34 -1.74 -1.08 -4.59 117.46 115.97 2krr n PHE 114 Ca 0.00 -2.07 0.21 0.00 -0.56 0.00 0.00 57.45 55.03 2krr n PHE 114 Cb 0.00 -1.26 1.11 0.00 1.52 0.00 0.00 39.48 40.85 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 2.55 0.00 0.00 3.97 4.81 -1.73 0.72 114.58 124.90 2krr h GLU 115 Ca 0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 2krr h GLU 115 Cb 0.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.08 2krr h GLU 115 CO 0.96 0.00 0.00 0.22 -0.73 0.00 0.00 179.01 179.46 2krr h ASP 116 N 0.00 0.00 -2.67 1.04 1.82 -1.87 -3.46 116.42 111.28 2krr h ASP 116 Ca 0.00 0.00 -0.52 0.00 -0.39 0.00 0.00 57.03 56.12 2krr h ASP 116 Cb 0.03 0.00 0.23 0.00 0.68 0.00 0.00 39.33 40.27 2krr h ASP 116 CO 0.00 0.00 -1.18 0.00 -1.61 0.00 0.00 179.24 176.45 2krr n ALA 117 N -1.90 -3.91 0.13 -0.78 0.00 0.24 -4.95 120.51 109.35 2krr n ALA 117 Ca 0.03 -0.78 -0.06 0.00 0.00 0.00 0.00 53.44 52.63 2krr n ALA 117 Cb 0.37 -1.49 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.43 -0.53 -2.56 0.00 0.00 -1.87 -3.48 119.26 109.39 2krr h ALA 118 Ca -0.45 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.18 2krr h ALA 118 Cb 1.31 0.14 -0.17 0.00 0.00 0.00 0.00 17.79 19.06 2krr h ALA 118 CO 0.31 -0.50 -0.70 -1.83 0.00 0.00 0.00 179.25 176.52 2krr s GLU 119 N -2.85 0.64 0.02 0.00 -1.05 -0.69 -5.03 118.70 109.74 2krr s GLU 119 Ca -0.05 -1.07 0.05 0.00 -0.15 0.00 0.00 54.97 53.74 2krr s GLU 119 Cb 0.01 -0.10 -0.02 0.00 -0.44 0.00 0.00 34.13 33.58 2krr s GLU 119 CO 0.16 -0.02 -0.14 0.42 0.95 0.00 0.00 175.26 176.62 2krr s ILE 120 N -2.85 1.15 -0.18 1.83 1.09 -1.26 -2.13 121.20 118.84 2krr s ILE 120 Ca 0.02 -0.84 -0.04 0.00 -1.10 0.00 0.00 60.65 58.68 2krr s ILE 120 Cb 0.00 -1.00 0.09 0.00 -1.06 0.00 0.00 42.46 40.49 2krr s ILE 120 CO -0.04 0.15 0.28 -0.13 -0.10 0.00 0.00 174.94 175.10 2krr s ARG 121 N -0.80 0.22 0.23 2.79 1.81 0.52 -5.00 118.95 118.72 2krr s ARG 121 Ca 0.04 0.54 -0.07 0.00 -1.72 0.00 0.00 55.73 54.52 2krr s ARG 121 Cb -0.07 -0.50 -0.06 0.00 -0.45 0.00 0.00 34.95 33.87 2krr s ARG 121 CO 0.01 -0.48 0.51 -1.17 -0.68 0.00 0.00 175.30 173.48 2krr s LEU 122 N 2.43 4.15 -0.20 2.53 2.96 -1.26 0.37 118.68 129.66 2krr s LEU 122 Ca 0.05 0.77 -0.05 0.00 -0.22 0.00 0.00 54.13 54.68 2krr s LEU 122 Cb -0.14 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 2krr s LEU 122 CO -0.12 -0.09 0.01 -0.69 -1.32 0.00 0.00 176.35 174.14 2krr s VAL 123 N -1.88 4.10 0.01 1.68 1.01 -1.12 -4.88 120.40 119.32 2krr s VAL 123 Ca 0.45 -0.27 -0.24 0.00 0.00 0.00 0.00 61.98 61.92 2krr s VAL 123 Cb -0.11 -2.85 0.05 0.00 0.00 0.00 0.00 36.38 33.47 2krr s VAL 123 CO 0.25 0.43 0.55 -0.94 0.00 0.00 0.00 175.10 175.39 2krr s SER 124 N 0.89 -0.49 -0.01 3.32 1.04 -1.26 -2.62 113.70 114.57 2krr s SER 124 Ca 0.01 0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.81 2krr s SER 124 Cb -0.14 0.49 -0.00 0.00 0.10 0.00 0.00 66.02 66.46 2krr s SER 124 CO 0.02 -0.65 -0.07 -0.75 0.98 0.00 0.00 173.24 172.77 2krr s LYS 125 N -1.89 0.67 -1.76 4.02 2.20 0.53 -4.77 119.74 118.73 2krr s LYS 125 Ca -0.08 -0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.28 2krr s LYS 125 Cb -0.01 -0.65 0.00 0.00 -1.51 0.00 0.00 37.83 35.66 2krr s LYS 125 CO 0.03 0.12 0.00 -3.47 -0.36 0.00 0.00 175.35 171.67 2krr n ASP 126 N 3.09 -5.06 0.00 1.43 -0.08 -1.26 -1.38 116.55 113.30 2krr n ASP 126 Ca -0.15 0.36 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 2krr n ASP 126 Cb 0.56 -4.07 0.00 0.00 2.34 0.00 0.00 41.12 39.95 2krr n ASP 126 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2krr n GLY 127 N -0.90 0.51 3.07 0.27 0.00 -1.26 -5.04 105.19 101.83 2krr n GLY 127 Ca -0.18 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.14 1.52 0.48 1.61 -0.14 -0.48 -5.13 119.74 116.46 2krr s LYS 128 Ca 0.00 -0.47 -0.23 0.00 -1.36 0.00 0.00 55.97 53.91 2krr s LYS 128 Cb 0.00 -1.32 -0.07 0.00 -1.68 0.00 0.00 37.83 34.76 2krr s LYS 128 CO 0.00 0.15 1.23 0.45 -0.76 0.00 0.00 175.35 176.42 2krr s SER 129 N 0.25 5.94 0.08 2.83 0.15 -1.23 -0.35 113.70 121.38 2krr s SER 129 Ca -0.07 2.46 0.22 0.00 0.70 0.00 0.00 55.95 59.27 2krr s SER 129 Cb -0.12 -2.62 -0.10 0.00 -1.71 0.00 0.00 66.02 61.48 2krr s SER 129 CO 0.02 -1.09 0.85 0.29 1.20 0.00 0.00 173.24 174.52 2krr n LYS 130 N -0.57 0.52 0.00 5.44 5.02 -1.08 -4.73 118.16 122.76 2krr n LYS 130 Ca 0.08 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 2krr n LYS 130 Cb 0.47 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 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 1.27 1.71 3.72 0.72 0.00 -1.26 -5.03 105.19 106.31 2krr n GLY 131 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 -0.30 -0.61 -4.36 -1.26 -4.29 121.20 108.38 2krr s ILE 132 Ca 0.00 -1.00 -0.12 0.00 -0.26 0.00 0.00 60.65 59.27 2krr s ILE 132 Cb 0.00 -1.93 0.15 0.00 1.25 0.00 0.00 42.46 41.94 2krr s ILE 132 CO 0.00 -0.02 0.82 0.00 0.24 0.00 0.00 174.94 175.98 2krr s ALA 133 N -3.93 -2.41 0.14 2.27 0.00 -1.22 -2.78 121.76 113.84 2krr s ALA 133 Ca 0.13 2.15 -0.17 0.00 0.00 0.00 0.00 51.96 54.07 2krr s ALA 133 Cb -0.04 -1.95 -0.07 0.00 0.00 0.00 0.00 23.12 21.06 2krr s ALA 133 CO 0.05 -0.98 0.59 0.71 0.00 0.00 0.00 175.76 176.12 2krr s TYR 134 N 2.69 3.66 0.01 0.00 2.02 0.16 -1.54 117.35 124.36 2krr s TYR 134 Ca -0.03 1.18 0.01 0.00 -0.37 0.00 0.00 57.07 57.86 2krr s TYR 134 Cb -0.09 -2.45 -0.01 0.00 -0.40 0.00 0.00 41.96 39.00 2krr s TYR 134 CO -0.18 0.45 -0.04 0.96 -1.57 0.00 0.00 175.55 175.16 2krr s ILE 135 N -1.39 0.29 -0.34 2.71 -0.00 -0.44 -0.36 121.20 121.67 2krr s ILE 135 Ca 0.37 -0.55 0.01 0.00 -0.00 0.00 0.00 60.65 60.48 2krr s ILE 135 Cb -0.16 -0.32 0.09 0.00 -0.00 0.00 0.00 42.46 42.06 2krr s ILE 135 CO 0.19 -0.18 0.06 -0.70 -0.00 0.00 0.00 174.94 174.32 2krr s GLU 136 N -0.78 1.91 0.88 0.37 2.12 -0.91 0.11 118.70 122.41 2krr s GLU 136 Ca -0.06 -1.67 -0.13 0.00 0.36 0.00 0.00 54.97 53.47 2krr s GLU 136 Cb -0.05 -3.26 0.13 0.00 0.26 0.00 0.00 34.13 31.20 2krr s GLU 136 CO -0.00 -0.87 1.18 -0.06 -0.54 0.00 0.00 175.26 174.97 2krr s PHE 137 N 1.06 2.51 -0.06 5.30 0.40 -0.32 -1.71 117.98 125.18 2krr s PHE 137 Ca 0.04 0.72 -0.26 0.00 -0.60 0.00 0.00 56.93 56.84 2krr s PHE 137 Cb -0.20 -3.54 -0.22 0.00 0.51 0.00 0.00 43.02 39.56 2krr s PHE 137 CO -0.05 -2.20 1.07 0.87 0.70 0.00 0.00 175.22 175.61 2krr h LYS 138 N -1.36 0.10 -4.17 0.44 6.56 -1.94 -3.45 116.57 112.74 2krr h LYS 138 Ca -0.47 -0.09 -0.22 0.00 -1.06 0.00 0.00 60.65 58.81 2krr h LYS 138 Cb 1.32 0.02 -0.22 0.00 -0.57 0.00 0.00 32.23 32.78 2krr h LYS 138 CO 0.60 0.80 -0.72 -0.08 -2.06 0.00 0.00 179.45 177.99 2krr s THR 139 N -3.35 0.26 0.58 -0.16 -1.32 -1.26 -5.02 115.64 105.37 2krr s THR 139 Ca -0.16 -0.86 0.28 0.00 -1.21 0.00 0.00 61.69 59.74 2krr s THR 139 Cb 0.01 -0.36 0.38 0.00 -1.51 0.00 0.00 72.50 71.01 2krr s THR 139 CO 0.71 -0.39 1.99 -0.33 -2.21 0.00 0.00 174.62 174.39 2krr h GLU 140 N 4.79 0.00 -0.03 7.08 5.08 -1.88 0.26 114.58 129.88 2krr h GLU 140 Ca -0.32 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.91 2krr h GLU 140 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2krr h GLU 140 CO 0.42 0.00 -0.55 0.00 -1.00 0.00 0.00 179.01 177.89 2krr h ALA 141 N 1.62 1.03 0.17 3.43 0.00 -1.94 0.53 119.26 124.10 2krr h ALA 141 Ca 0.17 -0.50 -0.33 0.00 0.00 0.00 0.00 54.91 54.25 2krr h ALA 141 Cb 0.89 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.60 2krr h ALA 141 CO -0.00 0.69 -1.64 -0.44 0.00 0.00 0.00 179.25 177.85 2krr h ASP 142 N 0.07 0.56 0.28 0.00 5.19 -0.94 -3.16 116.42 118.43 2krr h ASP 142 Ca -0.00 -0.78 -0.01 0.00 -0.62 0.00 0.00 57.03 55.61 2krr h ASP 142 Cb 0.99 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.32 2krr h ASP 142 CO 0.08 1.65 -0.14 0.00 -3.12 0.00 0.00 179.24 177.71 2krr h ALA 143 N 0.26 -0.38 -0.45 3.45 0.00 -1.22 0.24 119.26 121.17 2krr h ALA 143 Ca -0.30 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 54.63 2krr h ALA 143 Cb 2.08 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 20.00 2krr h ALA 143 CO 0.18 -0.36 0.42 1.05 0.00 0.00 0.00 179.25 180.54 2krr h GLU 144 N -1.08 0.00 0.00 0.00 4.11 -1.06 -0.69 114.58 115.85 2krr h GLU 144 Ca -0.04 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.26 2krr h GLU 144 Cb 0.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2krr h GLU 144 CO 0.06 0.00 -0.77 -0.22 0.07 0.00 0.00 179.01 178.16 2krr h LYS 145 N 0.00 0.00 -0.52 1.06 3.64 -1.58 -3.35 116.57 115.82 2krr h LYS 145 Ca 0.21 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.74 2krr h LYS 145 Cb 1.04 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 2krr h LYS 145 CO -0.00 0.84 0.45 1.15 -2.27 0.00 0.00 179.45 179.62 2krr h THR 146 N -1.00 0.51 -0.01 1.00 2.02 0.14 -0.85 112.91 114.72 2krr h THR 146 Ca -0.20 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.01 2krr h THR 146 Cb 1.07 0.66 -0.06 0.00 -1.74 0.00 0.00 68.15 68.09 2krr h THR 146 CO -0.12 0.00 -0.46 0.15 0.37 0.00 0.00 175.52 175.46 2krr h PHE 147 N 0.00 -1.32 0.00 3.16 3.57 -1.28 0.29 116.94 121.35 2krr h PHE 147 Ca 0.25 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.79 2krr h PHE 147 Cb 1.14 0.58 0.00 0.00 2.79 0.00 0.00 35.95 40.46 2krr h PHE 147 CO 0.00 -0.52 -0.31 1.05 -2.23 0.00 0.00 178.31 176.29 2krr h GLU 148 N -0.60 0.00 0.00 1.11 4.11 -1.61 0.81 114.58 118.40 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 -0.34 0.00 0.00 0.93 0.07 0.00 0.00 179.01 179.67 2krr h GLU 149 N 0.00 0.00 0.00 1.06 4.39 -0.48 -3.31 114.58 116.24 2krr h GLU 149 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2krr h GLU 149 Cb 0.95 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 2krr h GLU 149 CO 0.00 0.00 -1.12 1.63 -1.16 0.00 0.00 179.01 178.36 2krr n LYS 150 N -2.72 3.67 -1.55 2.33 4.01 0.96 -5.01 118.16 119.85 2krr n LYS 150 Ca 0.03 -0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.42 2krr n LYS 150 Cb 0.40 -1.04 0.01 0.00 -0.51 0.00 0.00 35.03 33.88 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 -2.07 1.01 0.00 1.97 7.27 0.28 -3.24 117.38 122.59 2krr n GLN 151 Ca -0.03 0.36 0.00 0.00 0.07 0.00 0.00 57.00 57.41 2krr n GLN 151 Cb 0.55 -1.82 0.00 0.00 2.41 0.00 0.00 30.24 31.39 2krr n GLN 151 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2krr n GLY 152 N 1.43 1.67 3.64 1.69 0.00 -1.26 -4.94 105.19 107.42 2krr n GLY 152 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.18 2.30 -0.05 2.61 -1.32 -1.20 -4.95 115.64 110.85 2krr s THR 153 Ca 0.00 0.10 0.05 0.00 -1.21 0.00 0.00 61.69 60.63 2krr s THR 153 Cb 0.00 -2.26 -0.01 0.00 -1.51 0.00 0.00 72.50 68.72 2krr s THR 153 CO 0.00 -0.13 -0.21 -1.61 -2.21 0.00 0.00 174.62 170.47 2krr s GLU 154 N -4.68 2.11 -0.07 7.08 2.02 -1.26 -3.39 118.70 120.51 2krr s GLU 154 Ca 0.66 -0.74 -0.03 0.00 0.02 0.00 0.00 54.97 54.88 2krr s GLU 154 Cb -0.22 -1.81 0.04 0.00 0.10 0.00 0.00 34.13 32.24 2krr s GLU 154 CO 0.59 0.30 0.16 0.42 0.02 0.00 0.00 175.26 176.75 2krr s ILE 155 N -0.05 -0.05 -1.73 -1.63 1.09 0.10 -4.83 121.20 114.10 2krr s ILE 155 Ca -0.04 0.17 0.00 0.00 -1.10 0.00 0.00 60.65 59.68 2krr s ILE 155 Cb -0.12 -0.26 0.00 0.00 -1.06 0.00 0.00 42.46 41.02 2krr s ILE 155 CO 0.03 0.07 0.00 -0.67 -0.10 0.00 0.00 174.94 174.27 2krr n ASP 156 N 4.18 -5.01 0.00 3.58 2.03 -1.26 -1.81 116.55 118.26 2krr n ASP 156 Ca -0.26 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.45 2krr n ASP 156 Cb 0.52 -3.95 0.00 0.00 -0.72 0.00 0.00 41.12 36.97 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 -0.91 3.05 3.29 0.27 0.00 -1.26 -5.03 105.19 104.59 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 -0.96 0.00 0.00 0.00 173.32 172.36 2krr n ARG 158 N -0.47 0.20 -4.10 1.61 1.85 -0.75 -5.06 116.66 109.95 2krr n ARG 158 Ca 0.00 -2.40 -0.33 0.00 -1.00 0.00 0.00 57.85 54.12 2krr n ARG 158 Cb 0.00 -0.46 -0.16 0.00 -1.05 0.00 0.00 32.46 30.80 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 -4.32 3.61 0.26 2.89 0.01 -1.26 0.00 113.70 114.90 2krr s SER 159 Ca 0.55 -0.90 -0.29 0.00 1.31 0.00 0.00 55.95 56.61 2krr s SER 159 Cb -0.03 -1.51 -0.09 0.00 0.21 0.00 0.00 66.02 64.59 2krr s SER 159 CO 0.36 -0.07 0.95 0.27 0.41 0.00 0.00 173.24 175.16 2krr s ILE 160 N 1.23 4.08 0.39 1.44 -4.36 -1.22 -4.85 121.20 117.91 2krr s ILE 160 Ca 0.00 2.00 0.08 0.00 -0.26 0.00 0.00 60.65 62.47 2krr s ILE 160 Cb -0.15 -4.24 -0.05 0.00 1.25 0.00 0.00 42.46 39.27 2krr s ILE 160 CO -0.10 0.41 0.15 -0.55 0.24 0.00 0.00 174.94 175.09 2krr s SER 161 N -1.27 4.47 0.01 4.36 0.15 -0.91 -4.23 113.70 116.28 2krr s SER 161 Ca 0.43 -0.99 0.01 0.00 0.70 0.00 0.00 55.95 56.11 2krr s SER 161 Cb -0.24 -0.55 -0.01 0.00 -1.71 0.00 0.00 66.02 63.51 2krr s SER 161 CO 0.30 -0.45 -0.04 -0.76 1.20 0.00 0.00 173.24 173.50 2krr s LEU 162 N -3.87 2.13 -0.15 3.45 1.43 -1.26 -1.74 118.68 118.67 2krr s LEU 162 Ca 0.40 -0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 53.14 2krr s LEU 162 Cb 0.02 -0.07 0.06 0.00 0.03 0.00 0.00 46.19 46.23 2krr s LEU 162 CO 0.22 -0.12 0.32 -0.31 0.23 0.00 0.00 176.35 176.70 2krr s TYR 163 N -0.75 -0.51 0.14 0.29 2.02 0.15 -4.97 117.35 113.71 2krr s TYR 163 Ca -0.06 1.10 -0.31 0.00 -0.37 0.00 0.00 57.07 57.43 2krr s TYR 163 Cb -0.06 0.12 -0.09 0.00 -0.40 0.00 0.00 41.96 41.54 2krr s TYR 163 CO -0.00 -0.34 1.42 1.52 -1.57 0.00 0.00 175.55 176.57 2krr s TYR 164 N 1.91 3.20 -0.29 2.71 -0.85 -1.26 -0.08 117.35 122.68 2krr s TYR 164 Ca -0.05 0.91 -0.16 0.00 -0.52 0.00 0.00 57.07 57.26 2krr s TYR 164 Cb -0.11 -3.73 0.16 0.00 0.38 0.00 0.00 41.96 38.66 2krr s TYR 164 CO -0.10 -2.56 1.02 -0.08 -1.52 0.00 0.00 175.55 172.31 2krr s THR 165 N 0.96 -0.15 -0.40 -3.49 -1.32 -0.73 -4.87 115.64 105.64 2krr s THR 165 Ca 0.65 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 61.23 2krr s THR 165 Cb -0.38 -1.00 0.37 0.00 -1.51 0.00 0.00 72.50 69.97 2krr s THR 165 CO 0.32 0.00 1.03 0.61 -2.21 0.00 0.00 174.62 174.37 2krr n GLY 166 N 4.03 1.74 3.62 6.08 0.00 -1.22 -4.40 105.19 115.04 2krr n GLY 166 Ca -0.15 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.08 2.21 0.82 1.61 4.04 -1.26 -4.79 118.70 120.25 2krr s GLU 167 Ca 0.28 -1.34 -0.11 0.00 0.04 0.00 0.00 54.97 53.84 2krr s GLU 167 Cb 0.36 -2.17 0.08 0.00 0.02 0.00 0.00 34.13 32.42 2krr s GLU 167 CO -0.05 0.40 1.09 -1.25 -1.84 0.00 0.00 175.26 173.61 2krr s PRO 168 N -3.30 1.87 0.00 -4.83 0.04 -1.26 -5.00 135.00 122.52 2krr s PRO 168 Ca 0.29 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.36 2krr s PRO 168 Cb -0.07 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2krr s PRO 168 CO 0.18 -1.87 0.74 1.63 0.04 0.00 0.00 177.00 177.71 2krr n LYS 169 N -3.66 0.00 -0.70 4.56 5.02 -1.26 -4.91 118.16 117.21 2krr n LYS 169 Ca 0.08 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 2krr n LYS 169 Cb 0.54 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 2krr n LYS 169 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2krr n GLY 170 N -0.83 0.60 0.27 0.72 0.00 -1.26 -4.96 105.19 99.74 2krr n GLY 170 Ca 0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 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 0.74 0.93 0.00 1.61 4.11 -2.03 -3.40 114.58 116.55 2krr h GLU 171 Ca 0.00 -0.23 -0.01 0.00 0.07 0.00 0.00 59.36 59.19 2krr h GLU 171 Cb 0.00 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2krr h GLU 171 CO 0.00 0.87 -0.13 0.41 0.07 0.00 0.00 179.01 180.23 2krr n GLY 172 N -0.61 0.87 0.13 1.06 0.00 -1.26 -4.94 105.19 100.44 2krr n GLY 172 Ca 0.03 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 2krr n GLY 172 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2krr n LEU 173 N 0.00 2.78 0.00 0.99 -0.00 -1.26 -5.26 117.00 114.25 2krr n LEU 173 Ca -0.01 -0.05 0.00 0.00 -0.00 0.00 0.00 56.01 55.96 2krr n LEU 173 Cb 0.56 -0.89 0.00 0.00 -0.00 0.00 0.00 43.42 43.09 2krr n LEU 173 CO -0.00 0.87 0.16 1.21 -0.00 0.00 0.00 177.39 179.62