#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 5.63 0.09 2.61 2.01 -1.26 -4.90 115.64 119.82 2krr s THR 2 Ca 0.00 -2.87 -0.34 0.00 0.31 0.00 0.00 61.69 58.79 2krr s THR 2 Cb 0.00 -4.64 -0.15 0.00 0.01 0.00 0.00 72.50 67.72 2krr s THR 2 CO 0.00 -1.25 1.53 -0.33 -0.69 0.00 0.00 174.62 173.88 2krr h GLU 3 N 7.24 -0.79 0.00 4.92 5.08 -1.95 -3.43 114.58 125.64 2krr h GLU 3 Ca 0.18 0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 2krr h GLU 3 Cb 0.93 0.18 0.02 0.00 0.50 0.00 0.00 28.75 30.38 2krr h GLU 3 CO 0.99 -0.53 0.01 -0.35 -1.00 0.00 0.00 179.01 178.13 2krr n PRO 4 N -5.36 -1.26 -0.07 2.33 -0.04 -1.26 -5.01 135.00 124.33 2krr n PRO 4 Ca -0.10 -0.20 -0.06 0.00 -0.04 0.00 0.00 63.50 63.11 2krr n PRO 4 Cb 0.42 -0.18 -0.15 0.00 -0.04 0.00 0.00 33.50 33.54 2krr n PRO 4 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2krr n THR 5 N -2.78 1.21 -4.50 0.52 5.66 -1.26 -4.99 114.28 108.15 2krr n THR 5 Ca 0.02 -0.79 -0.24 0.00 -3.05 0.00 0.00 64.05 59.98 2krr n THR 5 Cb 0.07 -0.49 -0.10 0.00 -1.55 0.00 0.00 70.33 68.26 2krr n THR 5 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2krr s THR 6 N -2.67 2.27 -1.04 1.09 -4.23 -1.26 -5.02 115.64 104.77 2krr s THR 6 Ca -0.09 -2.28 0.29 0.00 -1.18 0.00 0.00 61.69 58.43 2krr s THR 6 Cb 0.08 -2.47 0.26 0.00 1.34 0.00 0.00 72.50 71.71 2krr s THR 6 CO 0.84 -0.31 1.93 0.00 -0.54 0.00 0.00 174.62 176.54 2krr n ALA 7 N -0.69 2.32 -2.69 3.99 0.00 -1.26 -4.66 120.51 117.53 2krr n ALA 7 Ca -0.05 -0.10 -0.43 0.00 0.00 0.00 0.00 53.44 52.85 2krr n ALA 7 Cb 0.62 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.55 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 -2.96 2.94 0.01 0.00 0.08 -1.26 -5.01 117.98 111.79 2krr s PHE 8 Ca 0.15 -0.25 -0.18 0.00 0.12 0.00 0.00 56.93 56.77 2krr s PHE 8 Cb 0.19 -3.74 0.03 0.00 -0.57 0.00 0.00 43.02 38.93 2krr s PHE 8 CO 0.52 -1.14 0.40 -0.80 -0.10 0.00 0.00 175.22 174.09 2krr s ASN 9 N 2.66 -0.28 0.03 1.36 -0.87 -1.26 -1.47 114.94 115.10 2krr s ASN 9 Ca 0.23 0.10 -0.00 0.00 -1.57 0.00 0.00 52.86 51.61 2krr s ASN 9 Cb -0.16 0.40 -0.02 0.00 -0.02 0.00 0.00 41.25 41.44 2krr s ASN 9 CO 0.16 -0.58 -0.03 -1.48 -2.57 0.00 0.00 177.10 172.60 2krr s LEU 10 N -1.70 2.30 0.30 0.60 0.05 -0.45 -4.87 118.68 114.92 2krr s LEU 10 Ca -0.09 -0.62 -0.27 0.00 0.05 0.00 0.00 54.13 53.20 2krr s LEU 10 Cb -0.02 0.13 -0.10 0.00 -2.05 0.00 0.00 46.19 44.15 2krr s LEU 10 CO 0.01 -0.37 0.95 0.12 -0.55 0.00 0.00 176.35 176.51 2krr s PHE 11 N -2.07 3.76 0.06 3.48 2.19 0.37 -1.48 117.98 124.30 2krr s PHE 11 Ca -0.10 1.81 0.01 0.00 0.33 0.00 0.00 56.93 58.99 2krr s PHE 11 Cb -0.06 -2.95 -0.03 0.00 -1.31 0.00 0.00 43.02 38.67 2krr s PHE 11 CO -0.03 0.23 -0.06 0.14 1.83 0.00 0.00 175.22 177.33 2krr s VAL 12 N -1.49 0.53 0.36 3.12 -7.23 0.66 0.53 120.40 116.88 2krr s VAL 12 Ca 0.48 -1.51 -0.02 0.00 -1.81 0.00 0.00 61.98 59.12 2krr s VAL 12 Cb -0.21 -1.14 0.01 0.00 0.56 0.00 0.00 36.38 35.60 2krr s VAL 12 CO 0.26 -0.67 0.49 -0.83 -0.31 0.00 0.00 175.10 174.05 2krr s GLY 13 N -2.34 1.57 -1.19 2.32 0.00 0.88 -0.77 107.32 107.80 2krr s GLY 13 Ca 0.01 -1.56 -0.05 0.00 0.00 0.00 0.00 44.72 43.12 2krr s GLY 13 CO -0.03 -1.01 0.84 -2.01 0.00 0.00 0.00 173.10 170.89 2krr n ASN 14 N -1.55 -3.40 -1.23 1.64 5.15 0.11 -0.26 115.26 115.72 2krr n ASN 14 Ca 0.01 -0.78 0.12 0.00 -0.60 0.00 0.00 54.58 53.33 2krr n ASN 14 Cb 0.61 -4.49 0.25 0.00 -0.53 0.00 0.00 39.78 35.63 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 3.65 -1.21 1.20 4.77 -0.56 -3.23 117.00 117.67 2krr n LEU 15 Ca -0.21 -1.67 0.00 0.00 -0.03 0.00 0.00 56.01 54.10 2krr n LEU 15 Cb 0.65 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2krr n LEU 15 CO 0.64 0.83 -0.33 -3.20 -1.33 0.00 0.00 177.39 174.00 2krr n ASN 16 N 1.56 -6.79 -3.63 -1.43 5.15 -1.26 -4.87 115.26 103.99 2krr n ASN 16 Ca 0.21 0.91 -0.31 0.00 -0.60 0.00 0.00 54.58 54.79 2krr n ASN 16 Cb 0.62 -3.19 -0.06 0.00 -0.53 0.00 0.00 39.78 36.61 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 -0.45 3.39 0.00 1.20 -1.74 -1.22 -4.48 117.46 114.15 2krr n PHE 17 Ca 0.00 -3.84 0.00 0.00 -0.56 0.00 0.00 57.45 53.05 2krr n PHE 17 Cb 0.00 -0.76 0.00 0.00 1.52 0.00 0.00 39.48 40.24 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 1.14 3.14 -2.09 5.98 3.02 -1.26 -5.05 115.26 120.14 2krr n ASN 18 Ca 0.28 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.82 2krr n ASN 18 Cb 0.39 0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 2krr n ASN 18 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2krr n LYS 19 N -2.15 0.53 -1.40 3.52 4.81 -1.26 -5.09 118.16 117.11 2krr n LYS 19 Ca 0.00 -0.09 -0.29 0.00 -0.87 0.00 0.00 58.31 57.05 2krr n LYS 19 Cb 0.38 -0.03 0.19 0.00 0.02 0.00 0.00 35.03 35.59 2krr n LYS 19 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2krr s SER 20 N -1.15 2.43 -0.00 3.14 0.01 -1.26 -4.96 113.70 111.92 2krr s SER 20 Ca 0.02 0.76 -0.21 0.00 1.31 0.00 0.00 55.95 57.83 2krr s SER 20 Cb -0.00 -1.14 -0.12 0.00 0.21 0.00 0.00 66.02 64.97 2krr s SER 20 CO 0.02 -3.20 0.91 0.00 0.41 0.00 0.00 173.24 171.37 2krr h ALA 21 N -1.95 -0.80 0.00 1.44 0.00 -1.98 -3.16 119.26 112.81 2krr h ALA 21 Ca -0.48 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2krr h ALA 21 Cb 1.30 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2krr h ALA 21 CO 0.48 -0.74 0.00 -0.35 0.00 0.00 0.00 179.25 178.64 2krr n PRO 22 N -5.06 0.14 0.14 0.00 -0.04 -1.26 -2.16 135.00 126.75 2krr n PRO 22 Ca -0.09 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 2krr n PRO 22 Cb 0.30 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.92 -3.30 114.58 114.59 2krr h GLU 23 Ca 0.00 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.89 2krr h GLU 23 Cb 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2krr h GLU 23 CO 0.00 0.00 -1.37 -0.07 -1.18 0.00 0.00 179.01 176.39 2krr h LEU 24 N 0.00 0.43 -1.30 1.64 3.38 -1.42 -3.31 115.31 114.74 2krr h LEU 24 Ca 0.00 -0.51 0.21 0.00 0.09 0.00 0.00 57.88 57.67 2krr h LEU 24 Cb 0.90 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.42 2krr h LEU 24 CO 0.00 1.41 0.62 0.11 0.09 0.00 0.00 178.44 180.67 2krr h LYS 25 N 0.08 0.53 0.98 1.13 1.57 -1.67 -1.61 116.57 117.56 2krr h LYS 25 Ca -0.18 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.52 2krr h LYS 25 Cb 2.00 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 34.20 2krr h LYS 25 CO 0.19 0.35 -0.47 1.15 -0.57 0.00 0.00 179.45 180.10 2krr h THR 26 N 0.55 0.00 -0.60 -0.16 2.02 -1.73 -1.42 112.91 111.57 2krr h THR 26 Ca 0.53 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.81 2krr h THR 26 Cb 1.12 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.45 2krr h THR 26 CO -0.27 0.00 0.20 1.23 0.37 0.00 0.00 175.52 177.05 2krr h GLY 27 N -1.32 0.82 0.57 2.16 0.00 -1.55 0.28 103.07 104.03 2krr h GLY 27 Ca -0.13 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.14 2krr h GLY 27 CO 0.22 -0.04 -0.07 -2.22 0.00 0.00 0.00 176.54 174.43 2krr h ILE 28 N 0.37 0.76 0.00 2.60 2.04 -1.25 -0.64 117.51 121.39 2krr h ILE 28 Ca 0.31 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.17 2krr h ILE 28 Cb 0.40 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 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 -0.03 0.00 0.45 1.72 4.64 -0.63 -3.20 113.55 116.50 2krr h SER 29 Ca 0.10 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 2krr h SER 29 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2krr h SER 29 CO -0.22 0.00 -0.21 -0.78 -0.87 0.00 0.00 176.83 174.75 2krr h ASP 30 N 0.00 -0.51 -1.02 4.97 1.82 0.99 -2.11 116.42 120.56 2krr h ASP 30 Ca 0.00 0.00 0.25 0.00 -0.39 0.00 0.00 57.03 56.89 2krr h ASP 30 Cb 0.57 0.13 -0.11 0.00 0.68 0.00 0.00 39.33 40.60 2krr h ASP 30 CO 0.00 -0.08 0.63 1.62 -1.61 0.00 0.00 179.24 179.80 2krr h VAL 31 N -1.15 0.55 -0.28 2.25 3.04 -1.30 0.27 116.25 119.63 2krr h VAL 31 Ca -0.06 -0.18 -0.15 0.00 -1.01 0.00 0.00 66.70 65.30 2krr h VAL 31 Cb 0.47 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 29.73 2krr h VAL 31 CO 0.10 0.10 -0.42 -0.26 -1.01 0.00 0.00 177.57 176.08 2krr h PHE 32 N 0.52 0.82 0.00 3.17 0.04 -1.59 -2.75 116.94 117.15 2krr h PHE 32 Ca 0.62 -0.25 -0.00 0.00 2.80 0.00 0.00 57.97 61.14 2krr h PHE 32 Cb 1.31 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 39.29 2krr h PHE 32 CO -0.00 0.99 -0.01 0.00 -0.60 0.00 0.00 178.31 178.69 2krr h ALA 33 N 0.98 1.08 0.00 2.45 0.00 0.26 0.11 119.26 124.14 2krr h ALA 33 Ca 0.04 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2krr h ALA 33 Cb 0.96 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2krr h ALA 33 CO 0.09 0.01 -0.71 1.57 0.00 0.00 0.00 179.25 180.21 2krr h LYS 34 N 0.00 0.00 -0.95 0.00 2.10 -1.16 -3.27 116.57 113.29 2krr h LYS 34 Ca -0.00 0.00 -0.39 0.00 -2.00 0.00 0.00 60.65 58.26 2krr h LYS 34 Cb 0.06 0.00 -0.23 0.00 -0.90 0.00 0.00 32.23 31.16 2krr h LYS 34 CO 0.00 0.40 0.49 0.09 -2.00 0.00 0.00 179.45 178.44 2krr n ASN 35 N -3.12 3.86 -2.27 7.07 3.02 -0.15 -4.86 115.26 118.81 2krr n ASN 35 Ca -0.01 -3.31 -0.21 0.00 -0.03 0.00 0.00 54.58 51.03 2krr n ASN 35 Cb 0.74 -0.78 -0.02 0.00 -0.61 0.00 0.00 39.78 39.11 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 -0.72 -5.78 -4.49 6.41 8.00 -1.20 -4.97 116.55 113.80 2krr n ASP 36 Ca 0.48 0.08 -0.34 0.00 0.71 0.00 0.00 54.79 55.72 2krr n ASP 36 Cb 1.46 -4.86 -0.12 0.00 -0.02 0.00 0.00 41.12 37.58 2krr n ASP 36 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2krr s LEU 37 N -5.81 3.27 -0.17 0.64 1.43 -0.18 -5.00 118.68 112.86 2krr s LEU 37 Ca 0.00 -0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 52.93 2krr s LEU 37 Cb 0.00 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 2krr s LEU 37 CO 0.00 0.15 -0.04 0.00 0.23 0.00 0.00 176.35 176.69 2krr s ALA 38 N 0.48 2.92 -0.07 4.21 0.00 -1.26 -2.93 121.76 125.12 2krr s ALA 38 Ca -0.03 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 50.98 2krr s ALA 38 Cb -0.14 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.36 2krr s ALA 38 CO 0.03 0.02 0.06 0.14 0.00 0.00 0.00 175.76 176.01 2krr s VAL 39 N 0.71 4.73 -0.10 0.00 -7.23 -1.26 -3.25 120.40 113.99 2krr s VAL 39 Ca -0.02 -0.18 0.16 0.00 -1.81 0.00 0.00 61.98 60.12 2krr s VAL 39 Cb -0.15 -3.06 -0.18 0.00 0.56 0.00 0.00 36.38 33.55 2krr s VAL 39 CO 0.02 0.53 0.70 1.33 -0.31 0.00 0.00 175.10 177.37 2krr n VAL 40 N 1.81 1.29 -3.64 1.32 0.24 -0.04 -4.86 118.33 114.44 2krr n VAL 40 Ca -0.17 -0.73 -0.05 0.00 -2.04 0.00 0.00 64.34 61.34 2krr n VAL 40 Cb 0.54 -0.78 -0.07 0.00 -1.47 0.00 0.00 33.84 32.06 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 -5.80 -0.33 -0.03 -1.34 2.15 -1.24 -4.98 116.67 105.10 2krr s ASP 41 Ca -0.04 0.60 0.06 0.00 0.43 0.00 0.00 52.55 53.60 2krr s ASP 41 Cb 0.08 0.75 -0.02 0.00 -0.30 0.00 0.00 42.92 43.43 2krr s ASP 41 CO 0.82 -0.10 -0.20 -0.69 -0.17 0.00 0.00 175.17 174.83 2krr s VAL 42 N 0.45 2.58 0.07 1.11 1.01 -1.26 -0.34 120.40 124.02 2krr s VAL 42 Ca 0.01 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.13 2krr s VAL 42 Cb -0.05 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 2krr s VAL 42 CO -0.11 0.57 -0.11 -0.60 0.00 0.00 0.00 175.10 174.85 2krr s ARG 43 N -0.71 2.19 0.05 2.72 6.06 0.37 -4.95 118.95 124.68 2krr s ARG 43 Ca 0.11 -0.96 0.07 0.00 -2.50 0.00 0.00 55.73 52.45 2krr s ARG 43 Cb -0.10 -2.31 -0.03 0.00 0.06 0.00 0.00 34.95 32.57 2krr s ARG 43 CO -0.00 0.53 -0.20 0.42 -2.50 0.00 0.00 175.30 173.55 2krr s ILE 44 N -1.10 1.60 0.75 4.11 -1.09 -1.26 -0.71 121.20 123.50 2krr s ILE 44 Ca 0.19 -1.21 -0.13 0.00 -2.23 0.00 0.00 60.65 57.27 2krr s ILE 44 Cb -0.11 -1.40 0.18 0.00 -1.58 0.00 0.00 42.46 39.54 2krr s ILE 44 CO 0.10 0.15 0.89 0.61 -1.23 0.00 0.00 174.94 175.47 2krr n GLY 45 N 1.78 -1.78 0.14 6.18 0.00 0.13 -4.91 105.19 106.71 2krr n GLY 45 Ca -0.17 -1.63 0.03 0.00 0.00 0.00 0.00 46.02 44.24 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 0.00 -0.01 1.61 -0.00 -2.02 -3.19 114.93 111.32 2krr h MET 46 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.40 2krr h MET 46 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.46 2krr h MET 46 CO 0.21 0.46 -0.27 -2.37 -0.00 0.00 0.00 176.91 174.94 2krr n THR 47 N -3.19 0.00 -1.67 -0.10 5.66 -1.26 -4.92 114.28 108.80 2krr n THR 47 Ca 0.01 -0.15 -0.20 0.00 -3.05 0.00 0.00 64.05 60.65 2krr n THR 47 Cb 0.74 0.52 -0.08 0.00 -1.55 0.00 0.00 70.33 69.96 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 -0.52 -1.47 -0.00 1.09 3.00 -1.21 -4.66 116.66 112.89 2krr n ARG 48 Ca 0.12 1.19 0.07 0.00 -0.01 0.00 0.00 57.85 59.23 2krr n ARG 48 Cb 0.37 -5.60 -0.10 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 -2.41 1.31 -4.00 5.56 4.81 -1.26 -3.42 118.16 118.75 2krr n LYS 49 Ca -0.21 -0.06 -0.12 0.00 -0.87 0.00 0.00 58.31 57.05 2krr n LYS 49 Cb 0.67 -1.29 -0.03 0.00 0.02 0.00 0.00 35.03 34.41 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 -2.73 0.66 -1.22 5.64 -0.71 -1.26 0.06 117.98 118.43 2krr s PHE 50 Ca 0.01 -1.04 0.00 0.00 -1.04 0.00 0.00 56.93 54.86 2krr s PHE 50 Cb 0.11 0.22 0.00 0.00 -1.21 0.00 0.00 43.02 42.14 2krr s PHE 50 CO 0.63 -1.22 0.00 0.41 -1.34 0.00 0.00 175.22 173.70 2krr n GLY 51 N -0.52 -0.62 3.22 1.99 0.00 0.05 0.17 105.19 109.49 2krr n GLY 51 Ca -0.02 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.37 1.11 -0.03 1.61 1.51 0.11 -0.25 117.35 118.05 2krr s TYR 52 Ca 0.00 -0.98 0.00 0.00 -1.01 0.00 0.00 57.07 55.08 2krr s TYR 52 Cb 0.00 -0.63 0.03 0.00 -0.11 0.00 0.00 41.96 41.24 2krr s TYR 52 CO 0.00 -0.19 0.00 0.08 -1.11 0.00 0.00 175.55 174.33 2krr s VAL 53 N -3.65 0.17 -0.03 0.71 1.01 -0.55 -0.48 120.40 117.59 2krr s VAL 53 Ca 0.20 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.28 2krr s VAL 53 Cb 0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 2krr s VAL 53 CO 0.01 0.15 -0.01 -1.81 0.00 0.00 0.00 175.10 173.44 2krr s ASP 54 N 1.06 5.08 0.23 3.32 1.01 0.54 -1.34 116.67 126.57 2krr s ASP 54 Ca -0.09 0.02 0.11 0.00 0.71 0.00 0.00 52.55 53.30 2krr s ASP 54 Cb -0.13 -1.34 -0.05 0.00 1.01 0.00 0.00 42.92 42.40 2krr s ASP 54 CO -0.02 0.31 -0.20 -0.36 0.21 0.00 0.00 175.17 175.12 2krr s PHE 55 N -1.00 2.12 0.27 4.23 0.40 -0.54 -0.86 117.98 122.59 2krr s PHE 55 Ca 0.17 -0.40 -0.02 0.00 -0.60 0.00 0.00 56.93 56.08 2krr s PHE 55 Cb -0.11 -0.97 0.38 0.00 0.51 0.00 0.00 43.02 42.82 2krr s PHE 55 CO 0.07 0.55 1.84 0.93 0.70 0.00 0.00 175.22 179.32 2krr h GLU 56 N 2.66 0.92 -4.92 0.44 5.08 -1.88 -3.41 114.58 113.47 2krr h GLU 56 Ca -0.41 -0.16 -0.43 0.00 -1.00 0.00 0.00 59.36 57.35 2krr h GLU 56 Cb 1.23 -0.15 -0.14 0.00 0.50 0.00 0.00 28.75 30.19 2krr h GLU 56 CO 0.56 0.77 -0.56 -1.12 -1.00 0.00 0.00 179.01 177.67 2krr s SER 57 N -6.51 1.72 0.35 1.42 0.01 -1.26 -4.96 113.70 104.47 2krr s SER 57 Ca -0.10 -1.55 0.26 0.00 1.31 0.00 0.00 55.95 55.87 2krr s SER 57 Cb 0.16 0.36 0.87 0.00 0.21 0.00 0.00 66.02 67.62 2krr s SER 57 CO 0.80 -0.87 1.77 0.00 0.41 0.00 0.00 173.24 175.35 2krr h ALA 58 N 2.17 1.00 0.58 1.44 0.00 -1.96 -3.20 119.26 119.28 2krr h ALA 58 Ca -0.34 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2krr h ALA 58 Cb 1.25 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.05 2krr h ALA 58 CO 0.54 0.00 -0.28 0.93 0.00 0.00 0.00 179.25 180.44 2krr h GLU 59 N 0.00 -0.75 0.00 0.00 5.08 -1.98 -1.16 114.58 115.77 2krr h GLU 59 Ca 0.00 0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2krr h GLU 59 Cb 0.65 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 2krr h GLU 59 CO 0.00 -0.45 -0.02 -0.44 -1.00 0.00 0.00 179.01 177.10 2krr h ASP 60 N -1.11 0.00 0.11 1.42 3.32 -1.94 0.28 116.42 118.50 2krr h ASP 60 Ca -0.08 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2krr h ASP 60 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 2krr h ASP 60 CO 0.13 0.02 -0.05 0.25 -1.72 0.00 0.00 179.24 177.87 2krr h LEU 61 N 0.00 -0.12 -0.87 1.55 6.46 -1.52 -3.06 115.31 117.74 2krr h LEU 61 Ca -0.00 -0.42 -0.09 0.00 -0.12 0.00 0.00 57.88 57.25 2krr h LEU 61 Cb 0.09 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 2krr h LEU 61 CO 0.00 0.51 -0.45 1.05 -0.62 0.00 0.00 178.44 178.94 2krr h GLU 62 N -0.91 0.00 -0.58 1.25 4.11 -0.94 -3.14 114.58 114.36 2krr h GLU 62 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 2krr h GLU 62 Cb 0.53 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 2krr h GLU 62 CO 0.02 0.45 0.29 0.87 0.07 0.00 0.00 179.01 180.71 2krr h LYS 63 N 0.00 0.84 -0.07 1.06 1.57 -0.54 -1.82 116.57 117.60 2krr h LYS 63 Ca -0.00 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2krr h LYS 63 Cb 0.96 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 2krr h LYS 63 CO 0.06 0.67 0.14 0.00 -0.57 0.00 0.00 179.45 179.75 2krr h ALA 64 N 1.12 1.46 0.00 3.86 0.00 -1.48 0.34 119.26 124.56 2krr h ALA 64 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2krr h ALA 64 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2krr h ALA 64 CO -0.03 -0.17 -0.45 1.28 0.00 0.00 0.00 179.25 179.88 2krr n LEU 65 N -3.45 0.74 -0.11 0.00 4.77 -0.70 -4.19 117.00 114.06 2krr n LEU 65 Ca -0.01 0.33 -0.20 0.00 -0.03 0.00 0.00 56.01 56.10 2krr n LEU 65 Cb 0.23 -0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 41.01 2krr n LEU 65 CO 0.23 -0.09 -0.73 -0.62 -1.33 0.00 0.00 177.39 174.85 2krr n GLU 66 N -2.16 0.55 -0.37 3.23 -0.58 0.11 -4.98 120.64 116.43 2krr n GLU 66 Ca 0.04 0.47 -0.28 0.00 -0.42 0.00 0.00 57.16 56.96 2krr n GLU 66 Cb 0.44 -1.65 0.25 0.00 -0.57 0.00 0.00 31.44 29.91 2krr n GLU 66 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 2krr n LEU 67 N -4.42 -1.09 -4.09 -4.62 -0.00 -0.42 -5.06 117.00 97.29 2krr n LEU 67 Ca -0.32 -0.56 -0.10 0.00 -0.00 0.00 0.00 56.01 55.03 2krr n LEU 67 Cb 0.64 -1.03 -0.08 0.00 -0.00 0.00 0.00 43.42 42.96 2krr n LEU 67 CO 0.14 -3.95 -0.09 0.28 -0.00 0.00 0.00 177.39 173.77 2krr s THR 68 N -2.19 0.03 0.00 1.47 -1.32 -1.26 -4.96 115.64 107.41 2krr s THR 68 Ca 0.62 -1.71 0.00 0.00 -1.21 0.00 0.00 61.69 59.39 2krr s THR 68 Cb -0.15 -2.23 0.00 0.00 -1.51 0.00 0.00 72.50 68.61 2krr s THR 68 CO 0.56 -0.12 0.00 0.61 -2.21 0.00 0.00 174.62 173.47 2krr n GLY 69 N -0.27 0.87 3.55 6.08 0.00 -1.26 -5.05 105.19 109.11 2krr n GLY 69 Ca -0.02 -0.48 -0.39 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 -0.90 4.22 0.06 0.99 1.43 -1.26 -5.06 118.68 118.15 2krr s LEU 70 Ca 0.00 -0.22 -0.09 0.00 -1.03 0.00 0.00 54.13 52.79 2krr s LEU 70 Cb 0.00 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 44.11 2krr s LEU 70 CO 0.00 -0.14 0.20 -1.59 0.23 0.00 0.00 176.35 175.06 2krr s LYS 71 N 1.73 0.75 -0.10 1.70 0.00 -1.26 -2.83 119.74 119.73 2krr s LYS 71 Ca 0.06 -0.73 -0.06 0.00 0.00 0.00 0.00 55.97 55.24 2krr s LYS 71 Cb -0.17 0.31 0.04 0.00 0.00 0.00 0.00 37.83 38.01 2krr s LYS 71 CO 0.10 -0.23 0.25 0.08 0.00 0.00 0.00 175.35 175.55 2krr s VAL 72 N -2.99 -0.03 -1.49 1.79 1.01 0.16 -4.74 120.40 114.10 2krr s VAL 72 Ca -0.02 0.11 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 2krr s VAL 72 Cb 0.01 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 36.02 2krr s VAL 72 CO -0.06 0.05 0.81 0.49 0.00 0.00 0.00 175.10 176.39 2krr n PHE 73 N 3.94 -2.30 0.00 5.22 3.72 -1.26 -2.30 117.46 124.48 2krr n PHE 73 Ca -0.22 0.70 0.00 0.00 -0.05 0.00 0.00 57.45 57.88 2krr n PHE 73 Cb 0.54 -4.67 0.00 0.00 -0.94 0.00 0.00 39.48 34.41 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 -1.70 1.99 3.80 1.37 0.00 -1.26 -4.99 105.19 104.41 2krr n GLY 74 Ca -0.07 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 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 5.02 -0.36 1.61 0.01 -0.97 -5.02 114.94 115.23 2krr s ASN 75 Ca 0.00 1.70 -0.11 0.00 -0.71 0.00 0.00 52.86 53.74 2krr s ASN 75 Cb 0.00 -2.50 0.01 0.00 0.41 0.00 0.00 41.25 39.17 2krr s ASN 75 CO 0.00 -1.69 0.20 -0.70 -1.51 0.00 0.00 177.10 173.41 2krr s GLU 76 N -4.99 3.06 1.03 -0.60 2.12 -1.26 0.38 118.70 118.43 2krr s GLU 76 Ca 0.59 -0.93 -0.12 0.00 0.36 0.00 0.00 54.97 54.88 2krr s GLU 76 Cb -0.15 -3.71 0.21 0.00 0.26 0.00 0.00 34.13 30.73 2krr s GLU 76 CO 0.55 -0.60 1.08 0.96 -0.54 0.00 0.00 175.26 176.71 2krr s ILE 77 N 1.60 2.21 -0.08 -3.70 -5.25 -1.13 -4.77 121.20 110.07 2krr s ILE 77 Ca 0.03 0.07 -0.00 0.00 -0.99 0.00 0.00 60.65 59.76 2krr s ILE 77 Cb -0.18 -2.27 0.02 0.00 2.95 0.00 0.00 42.46 42.98 2krr s ILE 77 CO 0.07 -0.09 -0.05 -0.54 -1.79 0.00 0.00 174.94 172.54 2krr s LYS 78 N -4.67 1.14 -0.08 0.37 -0.14 0.65 -4.84 119.74 112.17 2krr s LYS 78 Ca 0.66 -0.13 -0.17 0.00 -1.36 0.00 0.00 55.97 54.98 2krr s LYS 78 Cb -0.22 -1.25 -0.05 0.00 -1.68 0.00 0.00 37.83 34.63 2krr s LYS 78 CO 0.61 -0.21 0.43 -0.51 -0.76 0.00 0.00 175.35 174.91 2krr s LEU 79 N 1.54 4.35 0.00 3.17 1.02 -1.26 -0.08 118.68 127.41 2krr s LEU 79 Ca -0.00 0.84 -0.04 0.00 0.02 0.00 0.00 54.13 54.96 2krr s LEU 79 Cb -0.13 -2.63 0.01 0.00 0.02 0.00 0.00 46.19 43.47 2krr s LEU 79 CO -0.05 0.13 0.50 -0.62 0.02 0.00 0.00 176.35 176.34 2krr n GLU 80 N 2.98 0.72 -3.34 1.70 -0.58 0.19 -4.98 120.64 117.32 2krr n GLU 80 Ca -0.10 -2.54 -0.37 0.00 -0.42 0.00 0.00 57.16 53.73 2krr n GLU 80 Cb 0.52 2.54 -0.06 0.00 -0.57 0.00 0.00 31.44 33.87 2krr n GLU 80 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2krr s LYS 81 N -2.65 4.06 0.00 3.49 -2.85 -1.26 -0.48 119.74 120.05 2krr s LYS 81 Ca 0.25 0.58 0.00 0.00 -1.00 0.00 0.00 55.97 55.80 2krr s LYS 81 Cb -0.01 -3.09 0.00 0.00 -2.06 0.00 0.00 37.83 32.67 2krr s LYS 81 CO 0.18 0.57 0.00 -0.35 0.10 0.00 0.00 175.35 175.85 2krr n PRO 82 N 1.29 0.05 -0.75 1.78 -0.04 -1.26 -4.63 135.00 131.43 2krr n PRO 82 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2krr n PRO 82 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 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 -0.71 -2.16 0.00 0.54 3.00 -1.26 -5.00 118.16 112.57 2krr n LYS 83 Ca 0.00 1.61 0.00 0.00 -0.00 0.00 0.00 58.31 59.92 2krr n LYS 83 Cb 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 35.03 33.23 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 -0.87 -1.20 3.64 3.14 0.00 -1.26 -5.17 105.19 103.47 2krr n GLY 84 Ca 0.00 0.71 -0.02 0.00 0.00 0.00 0.00 46.02 46.71 2krr n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2krr s LYS 85 N 1.63 0.06 0.19 1.61 -2.85 -1.26 -5.01 119.74 114.10 2krr s LYS 85 Ca 0.00 -0.00 -0.22 0.00 -1.00 0.00 0.00 55.97 54.74 2krr s LYS 85 Cb 0.00 0.03 0.07 0.00 -2.06 0.00 0.00 37.83 35.87 2krr s LYS 85 CO 0.00 -0.02 1.02 0.34 0.10 0.00 0.00 175.35 176.79 2krr s ASP 86 N -1.50 -0.02 0.44 0.03 2.15 -1.26 -5.02 116.67 111.49 2krr s ASP 86 Ca 0.10 -0.67 0.26 0.00 0.43 0.00 0.00 52.55 52.67 2krr s ASP 86 Cb -0.01 0.51 0.65 0.00 -0.30 0.00 0.00 42.92 43.77 2krr s ASP 86 CO -0.05 -1.02 1.72 0.28 -0.17 0.00 0.00 175.17 175.93 2krr h SER 87 N 2.00 0.00 0.03 -0.34 0.02 -2.03 -3.13 113.55 110.11 2krr h SER 87 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2krr h SER 87 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2krr h SER 87 CO 0.35 0.00 0.00 0.50 -1.14 0.00 0.00 176.83 176.54 2krr h LYS 88 N 0.00 0.00 -0.78 3.45 3.64 -1.95 -2.31 116.57 118.63 2krr h LYS 88 Ca 0.00 0.00 0.22 0.00 -1.27 0.00 0.00 60.65 59.60 2krr h LYS 88 Cb 0.84 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 2krr h LYS 88 CO 0.00 0.00 0.67 1.57 -2.27 0.00 0.00 179.45 179.42 2krr h LYS 89 N 0.00 0.00 -0.42 1.90 2.10 -1.90 -0.11 116.57 118.15 2krr h LYS 89 Ca 0.00 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.73 2krr h LYS 89 Cb 0.02 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.27 2krr h LYS 89 CO 0.00 0.00 -0.04 1.05 -2.00 0.00 0.00 179.45 178.46 2krr h GLU 90 N 0.00 0.06 0.13 0.07 4.11 -1.70 0.29 114.58 117.54 2krr h GLU 90 Ca 0.37 -0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.46 2krr h GLU 90 Cb 1.70 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 2krr h GLU 90 CO -0.00 0.04 -1.76 0.00 0.07 0.00 0.00 179.01 177.36 2krr h ARG 91 N 0.06 0.28 0.00 1.06 -0.00 -1.33 -3.31 114.38 111.14 2krr h ARG 91 Ca 0.20 -0.48 0.00 0.00 -0.50 0.00 0.00 59.98 59.21 2krr h ARG 91 Cb 0.30 0.18 0.00 0.00 0.00 0.00 0.00 29.97 30.45 2krr h ARG 91 CO -0.38 1.15 0.00 0.22 0.00 0.00 0.00 179.97 180.97 2krr h ASP 92 N 0.08 0.00 -0.68 7.04 3.58 -0.98 -2.64 116.42 122.82 2krr h ASP 92 Ca -0.33 0.00 0.20 0.00 0.42 0.00 0.00 57.03 57.31 2krr h ASP 92 Cb 2.05 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 43.07 2krr h ASP 92 CO 0.14 0.00 0.66 0.00 -2.88 0.00 0.00 179.24 177.16 2krr h ALA 93 N 2.03 2.48 -1.19 -0.78 0.00 -0.52 0.03 119.26 121.31 2krr h ALA 93 Ca 0.00 -0.02 0.34 0.00 0.00 0.00 0.00 54.91 55.22 2krr h ALA 93 Cb 0.11 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 2krr h ALA 93 CO 0.00 -1.01 0.81 -0.09 0.00 0.00 0.00 179.25 178.96 2krr h ARG 94 N 0.00 0.16 -4.26 0.00 2.43 -1.74 -3.38 114.38 107.59 2krr h ARG 94 Ca 0.32 -0.01 -0.47 0.00 -0.81 0.00 0.00 59.98 59.02 2krr h ARG 94 Cb 1.64 -0.04 -0.34 0.00 -0.42 0.00 0.00 29.97 30.81 2krr h ARG 94 CO -0.00 0.11 -0.79 0.99 -1.51 0.00 0.00 179.97 178.76 2krr s THR 95 N -5.21 0.84 0.28 0.20 2.01 -0.01 -1.61 115.64 112.14 2krr s THR 95 Ca -0.07 -0.29 0.06 0.00 0.31 0.00 0.00 61.69 61.70 2krr s THR 95 Cb 0.25 -0.81 -0.02 0.00 0.01 0.00 0.00 72.50 71.93 2krr s THR 95 CO 0.81 0.30 0.40 -0.76 -0.69 0.00 0.00 174.62 174.67 2krr s LEU 96 N 0.90 4.15 -0.04 4.42 2.01 0.97 -4.40 118.68 126.69 2krr s LEU 96 Ca -0.11 -0.05 0.07 0.00 0.01 0.00 0.00 54.13 54.05 2krr s LEU 96 Cb -0.15 -2.79 -0.01 0.00 0.01 0.00 0.00 46.19 43.25 2krr s LEU 96 CO 0.01 -0.22 -0.25 -0.22 1.01 0.00 0.00 176.35 176.68 2krr s LEU 97 N -4.05 2.06 -0.14 1.79 1.98 0.12 -1.30 118.68 119.13 2krr s LEU 97 Ca 0.38 -0.49 -0.04 0.00 -2.89 0.00 0.00 54.13 51.09 2krr s LEU 97 Cb -0.09 -1.35 -0.03 0.00 0.66 0.00 0.00 46.19 45.37 2krr s LEU 97 CO 0.30 0.27 0.01 0.00 -1.89 0.00 0.00 176.35 175.03 2krr s ALA 98 N -0.33 3.22 0.27 5.97 0.00 0.29 -0.81 121.76 130.37 2krr s ALA 98 Ca 0.01 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.21 2krr s ALA 98 Cb -0.12 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 2krr s ALA 98 CO 0.02 0.34 0.19 0.15 0.00 0.00 0.00 175.76 176.45 2krr s LYS 99 N -0.07 1.49 -0.95 0.00 -0.14 -0.85 -2.22 119.74 117.00 2krr s LYS 99 Ca 0.04 -1.84 -0.02 0.00 -1.36 0.00 0.00 55.97 52.79 2krr s LYS 99 Cb -0.13 0.20 0.00 0.00 -1.68 0.00 0.00 37.83 36.23 2krr s LYS 99 CO 0.02 -0.50 0.81 -1.71 -0.76 0.00 0.00 175.35 173.21 2krr n ASN 100 N -0.88 -3.06 -4.48 2.83 5.15 -1.25 -2.45 115.26 111.12 2krr n ASN 100 Ca 0.04 -0.45 -0.28 0.00 -0.60 0.00 0.00 54.58 53.28 2krr n ASN 100 Cb 0.64 -4.01 -0.11 0.00 -0.53 0.00 0.00 39.78 35.78 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 -5.48 2.66 0.89 1.20 1.43 -1.26 -4.20 118.68 113.93 2krr s LEU 101 Ca 0.14 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.45 2krr s LEU 101 Cb -0.06 -1.43 0.13 0.00 0.03 0.00 0.00 46.19 44.85 2krr s LEU 101 CO 0.56 0.14 1.09 -2.16 0.23 0.00 0.00 176.35 176.21 2krr s PRO 102 N -2.49 1.30 0.00 1.29 0.04 -1.26 -4.50 135.00 129.38 2krr s PRO 102 Ca 0.20 0.83 0.22 0.00 0.04 0.00 0.00 61.00 62.29 2krr s PRO 102 Cb -0.09 -1.81 1.15 0.00 0.04 0.00 0.00 34.50 33.78 2krr s PRO 102 CO 0.11 -2.22 1.72 0.66 0.04 0.00 0.00 177.00 177.31 2krr n TYR 103 N -3.87 0.00 0.30 0.56 4.01 -1.26 -2.36 117.16 114.55 2krr n TYR 103 Ca 0.07 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.85 2krr n TYR 103 Cb 0.55 -0.26 0.01 0.00 -0.31 0.00 0.00 39.34 39.34 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 1.31 -0.97 -0.72 2.85 -1.26 -2.79 118.16 115.32 2krr n LYS 104 Ca 0.11 -0.68 -0.34 0.00 -1.05 0.00 0.00 58.31 56.34 2krr n LYS 104 Cb 0.17 -1.05 0.09 0.00 -0.65 0.00 0.00 35.03 33.59 2krr n LYS 104 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 2krr n VAL 105 N -0.01 0.56 -3.99 0.58 3.14 -0.99 -5.02 118.33 112.60 2krr n VAL 105 Ca 0.03 -0.29 -0.09 0.00 -2.96 0.00 0.00 64.34 61.04 2krr n VAL 105 Cb 0.16 -0.59 -0.11 0.00 -1.06 0.00 0.00 33.84 32.25 2krr n VAL 105 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 2krr s THR 106 N -2.20 0.13 0.24 1.55 2.01 -1.26 -4.88 115.64 111.23 2krr s THR 106 Ca 0.58 -1.08 -0.11 0.00 0.31 0.00 0.00 61.69 61.38 2krr s THR 106 Cb -0.26 -0.55 0.33 0.00 0.01 0.00 0.00 72.50 72.03 2krr s THR 106 CO 0.66 -0.60 1.60 1.56 -0.69 0.00 0.00 174.62 177.15 2krr h GLN 107 N 4.28 -0.00 -0.66 4.92 4.20 -1.98 0.27 115.11 126.13 2krr h GLN 107 Ca -0.32 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.51 2krr h GLN 107 Cb 1.19 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.88 2krr h GLN 107 CO 0.46 -0.00 0.18 0.22 -0.67 0.00 0.00 178.83 179.02 2krr h ASP 108 N -0.00 0.08 -0.12 1.46 1.82 -1.96 0.51 116.42 118.21 2krr h ASP 108 Ca 0.38 0.12 0.02 0.00 -0.39 0.00 0.00 57.03 57.16 2krr h ASP 108 Cb 0.58 0.14 -0.04 0.00 0.68 0.00 0.00 39.33 40.68 2krr h ASP 108 CO -0.81 0.03 -0.36 -0.33 -1.61 0.00 0.00 179.24 176.16 2krr h GLU 109 N 0.31 -0.35 0.00 0.28 4.39 -0.88 0.24 114.58 118.58 2krr h GLU 109 Ca 0.36 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.07 2krr h GLU 109 Cb 0.55 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2krr h GLU 109 CO -0.42 -0.23 -0.05 -0.07 -1.16 0.00 0.00 179.01 177.08 2krr h LEU 110 N -0.36 0.00 -0.33 1.33 3.38 -1.33 -0.03 115.31 117.97 2krr h LEU 110 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2krr h LEU 110 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2krr h LEU 110 CO -0.30 0.05 0.00 2.29 0.09 0.00 0.00 178.44 180.56 2krr n LYS 111 N -4.21 0.08 0.10 1.13 2.85 0.14 -2.30 118.16 115.94 2krr n LYS 111 Ca -0.03 0.34 0.10 0.00 -1.05 0.00 0.00 58.31 57.68 2krr n LYS 111 Cb 0.13 -1.66 0.44 0.00 -0.65 0.00 0.00 35.03 33.29 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 -1.82 0.14 -0.07 -1.58 -0.58 -0.02 -0.19 120.64 116.51 2krr n GLU 112 Ca 0.03 0.44 -0.16 0.00 -0.42 0.00 0.00 57.16 57.05 2krr n GLU 112 Cb 0.18 -1.80 -0.05 0.00 -0.57 0.00 0.00 31.44 29.20 2krr n GLU 112 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 2krr n VAL 113 N -2.06 0.82 -1.43 2.62 0.24 -0.97 -4.67 118.33 112.88 2krr n VAL 113 Ca 0.02 -0.22 -0.28 0.00 -2.04 0.00 0.00 64.34 61.82 2krr n VAL 113 Cb 0.17 -1.65 0.10 0.00 -1.47 0.00 0.00 33.84 30.98 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 -3.62 2.93 0.29 6.34 1.16 -1.21 -4.65 117.46 118.70 2krr n PHE 114 Ca -0.29 -2.55 0.18 0.00 -1.87 0.00 0.00 57.45 52.93 2krr n PHE 114 Cb 0.71 -1.10 0.95 0.00 -1.61 0.00 0.00 39.48 38.43 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 1.73 0.00 0.00 3.97 4.81 -0.85 0.45 114.58 124.69 2krr h GLU 115 Ca 0.54 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 2krr h GLU 115 Cb 1.41 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.79 2krr h GLU 115 CO 1.26 0.00 -0.24 0.22 -0.73 0.00 0.00 179.01 179.52 2krr h ASP 116 N 0.00 0.00 -2.26 1.04 3.58 -1.83 -3.47 116.42 113.48 2krr h ASP 116 Ca 0.03 -0.06 -0.47 0.00 0.42 0.00 0.00 57.03 56.95 2krr h ASP 116 Cb 0.40 0.00 0.24 0.00 1.72 0.00 0.00 39.33 41.68 2krr h ASP 116 CO -0.00 0.03 -1.27 0.00 -2.88 0.00 0.00 179.24 175.12 2krr n ALA 117 N -1.89 -4.25 0.23 -0.78 0.00 0.16 -4.94 120.51 109.04 2krr n ALA 117 Ca 0.04 -1.21 -0.09 0.00 0.00 0.00 0.00 53.44 52.18 2krr n ALA 117 Cb 0.46 -1.44 -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 -1.84 -0.79 -2.65 0.00 0.00 -1.85 -3.48 119.26 108.65 2krr h ALA 118 Ca -0.50 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.13 2krr h ALA 118 Cb 1.36 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 19.26 2krr h ALA 118 CO 0.35 -0.75 -0.39 -1.83 0.00 0.00 0.00 179.25 176.63 2krr s GLU 119 N -3.75 1.23 0.03 0.00 -1.05 -0.73 -5.03 118.70 109.39 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 0.35 -0.02 0.00 -0.44 0.00 0.00 34.13 34.04 2krr s GLU 119 CO 0.27 -0.45 -0.11 0.42 0.95 0.00 0.00 175.26 176.35 2krr s ILE 120 N -4.04 0.85 -0.23 1.83 1.09 -1.26 -2.56 121.20 116.88 2krr s ILE 120 Ca 0.25 -0.81 -0.04 0.00 -1.10 0.00 0.00 60.65 58.96 2krr s ILE 120 Cb 0.04 -0.78 0.10 0.00 -1.06 0.00 0.00 42.46 40.76 2krr s ILE 120 CO 0.06 -0.02 0.19 -0.13 -0.10 0.00 0.00 174.94 174.94 2krr s ARG 121 N -0.93 0.19 0.28 2.79 1.81 0.71 -4.98 118.95 118.82 2krr s ARG 121 Ca -0.00 -0.05 -0.12 0.00 -1.72 0.00 0.00 55.73 53.84 2krr s ARG 121 Cb -0.07 -1.24 -0.08 0.00 -0.45 0.00 0.00 34.95 33.12 2krr s ARG 121 CO 0.01 -0.79 0.64 -1.17 -0.68 0.00 0.00 175.30 173.30 2krr s LEU 122 N 2.25 4.10 -0.13 2.53 2.96 -1.26 0.29 118.68 129.43 2krr s LEU 122 Ca 0.07 1.08 -0.01 0.00 -0.22 0.00 0.00 54.13 55.05 2krr s LEU 122 Cb -0.16 -3.87 -0.02 0.00 0.50 0.00 0.00 46.19 42.65 2krr s LEU 122 CO -0.20 -0.15 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.90 2krr s VAL 123 N -1.92 3.35 0.02 1.68 1.01 -1.02 -4.89 120.40 118.63 2krr s VAL 123 Ca 0.50 -0.56 -0.25 0.00 0.00 0.00 0.00 61.98 61.67 2krr s VAL 123 Cb -0.11 -2.42 0.06 0.00 0.00 0.00 0.00 36.38 33.91 2krr s VAL 123 CO 0.20 0.52 0.57 -0.94 0.00 0.00 0.00 175.10 175.45 2krr s SER 124 N 0.21 -0.51 -0.01 3.32 1.04 -1.26 -3.06 113.70 113.43 2krr s SER 124 Ca -0.06 0.34 0.02 0.00 0.48 0.00 0.00 55.95 56.73 2krr s SER 124 Cb -0.15 0.50 -0.00 0.00 0.10 0.00 0.00 66.02 66.48 2krr s SER 124 CO 0.04 -0.69 -0.07 -0.75 0.98 0.00 0.00 173.24 172.76 2krr s LYS 125 N -2.06 0.62 -1.41 4.02 2.20 0.64 -4.79 119.74 118.96 2krr s LYS 125 Ca -0.07 -0.24 -0.02 0.00 -0.36 0.00 0.00 55.97 55.28 2krr s LYS 125 Cb -0.01 -0.60 0.00 0.00 -1.51 0.00 0.00 37.83 35.71 2krr s LYS 125 CO 0.02 0.13 0.21 -3.47 -0.36 0.00 0.00 175.35 171.88 2krr n ASP 126 N 3.04 -5.21 0.00 1.43 2.03 -1.26 -1.46 116.55 115.12 2krr n ASP 126 Ca -0.15 -0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.05 2krr n ASP 126 Cb 0.57 -4.20 0.00 0.00 -0.72 0.00 0.00 41.12 36.77 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 -1.18 0.30 3.21 0.27 0.00 -1.26 -4.99 105.19 101.54 2krr n GLY 127 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.82 2.05 0.54 1.61 -0.14 -0.54 -5.12 119.74 117.32 2krr s LYS 128 Ca 0.00 -0.75 -0.21 0.00 -1.36 0.00 0.00 55.97 53.65 2krr s LYS 128 Cb 0.00 -1.80 -0.05 0.00 -1.68 0.00 0.00 37.83 34.30 2krr s LYS 128 CO 0.00 0.35 1.23 0.45 -0.76 0.00 0.00 175.35 176.61 2krr s SER 129 N -0.16 5.50 -0.00 2.83 0.15 -1.12 -0.26 113.70 120.64 2krr s SER 129 Ca -0.01 2.45 0.22 0.00 0.70 0.00 0.00 55.95 59.30 2krr s SER 129 Cb -0.12 -2.61 -0.21 0.00 -1.71 0.00 0.00 66.02 61.38 2krr s SER 129 CO 0.02 -1.39 0.81 0.29 1.20 0.00 0.00 173.24 174.17 2krr n LYS 130 N -1.14 0.24 0.00 5.44 5.02 -1.17 -4.73 118.16 121.81 2krr n LYS 130 Ca 0.11 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 2krr n LYS 130 Cb 0.48 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 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 1.41 1.63 3.16 0.72 0.00 -1.26 -5.02 105.19 105.83 2krr n GLY 131 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 0.14 -0.30 -0.61 -4.36 -1.26 -3.90 121.20 108.91 2krr s ILE 132 Ca 0.00 -1.18 -0.08 0.00 -0.26 0.00 0.00 60.65 59.13 2krr s ILE 132 Cb 0.00 -1.16 0.15 0.00 1.25 0.00 0.00 42.46 42.70 2krr s ILE 132 CO 0.00 -0.65 0.68 0.00 0.24 0.00 0.00 174.94 175.21 2krr s ALA 133 N -3.28 -2.22 0.21 2.27 0.00 -0.94 -2.42 121.76 115.37 2krr s ALA 133 Ca 0.01 2.14 -0.20 0.00 0.00 0.00 0.00 51.96 53.90 2krr s ALA 133 Cb 0.03 -1.95 -0.08 0.00 0.00 0.00 0.00 23.12 21.11 2krr s ALA 133 CO -0.08 -1.07 0.72 0.71 0.00 0.00 0.00 175.76 176.04 2krr s TYR 134 N 2.85 3.69 -0.05 0.00 2.02 0.15 -0.55 117.35 125.45 2krr s TYR 134 Ca 0.03 1.41 0.01 0.00 -0.37 0.00 0.00 57.07 58.15 2krr s TYR 134 Cb -0.12 -2.63 0.02 0.00 -0.40 0.00 0.00 41.96 38.83 2krr s TYR 134 CO -0.19 0.37 -0.06 0.96 -1.57 0.00 0.00 175.55 175.05 2krr s ILE 135 N -1.46 0.69 -0.44 2.71 -0.00 -0.42 -0.21 121.20 122.07 2krr s ILE 135 Ca 0.41 -0.21 -0.12 0.00 -0.00 0.00 0.00 60.65 60.73 2krr s ILE 135 Cb -0.17 -0.69 0.07 0.00 -0.00 0.00 0.00 42.46 41.67 2krr s ILE 135 CO 0.21 0.26 0.32 -1.61 -0.00 0.00 0.00 174.94 174.12 2krr s GLU 136 N 0.85 2.80 0.85 0.37 2.02 -1.06 -0.02 118.70 124.51 2krr s GLU 136 Ca -0.12 -1.38 -0.13 0.00 0.02 0.00 0.00 54.97 53.36 2krr s GLU 136 Cb -0.15 -3.94 0.11 0.00 0.10 0.00 0.00 34.13 30.25 2krr s GLU 136 CO 0.01 -0.97 1.22 -0.06 0.02 0.00 0.00 175.26 175.48 2krr s PHE 137 N 1.54 2.56 -0.07 1.61 0.40 -0.63 -1.78 117.98 121.61 2krr s PHE 137 Ca 0.03 0.62 -0.25 0.00 -0.60 0.00 0.00 56.93 56.73 2krr s PHE 137 Cb -0.23 -3.67 -0.26 0.00 0.51 0.00 0.00 43.02 39.37 2krr s PHE 137 CO 0.05 -2.02 0.93 0.87 0.70 0.00 0.00 175.22 175.75 2krr h LYS 138 N -1.21 0.16 -4.86 0.44 6.56 -1.93 -3.44 116.57 112.28 2krr h LYS 138 Ca -0.45 -0.22 -0.36 0.00 -1.06 0.00 0.00 60.65 58.55 2krr h LYS 138 Cb 1.30 0.07 -0.24 0.00 -0.57 0.00 0.00 32.23 32.79 2krr h LYS 138 CO 0.58 1.02 -0.77 -0.08 -2.06 0.00 0.00 179.45 178.15 2krr s THR 139 N -2.72 0.78 0.55 -0.16 -1.32 -1.26 -5.02 115.64 106.48 2krr s THR 139 Ca -0.16 -0.86 0.26 0.00 -1.21 0.00 0.00 61.69 59.72 2krr s THR 139 Cb -0.00 -0.74 0.38 0.00 -1.51 0.00 0.00 72.50 70.63 2krr s THR 139 CO 0.75 -0.09 2.01 -0.33 -2.21 0.00 0.00 174.62 174.75 2krr h GLU 140 N 5.03 0.00 0.00 7.08 5.08 -1.89 0.32 114.58 130.20 2krr h GLU 140 Ca -0.35 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.94 2krr h GLU 140 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2krr h GLU 140 CO 0.44 0.00 -0.35 0.00 -1.00 0.00 0.00 179.01 178.11 2krr h ALA 141 N 1.71 0.96 0.15 3.43 0.00 -1.93 -0.36 119.26 123.23 2krr h ALA 141 Ca 0.21 -0.32 -0.33 0.00 0.00 0.00 0.00 54.91 54.47 2krr h ALA 141 Cb 0.90 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2krr h ALA 141 CO -0.00 0.43 -1.64 -0.44 0.00 0.00 0.00 179.25 177.60 2krr h ASP 142 N 0.00 0.50 0.14 0.00 5.19 -0.80 -3.17 116.42 118.28 2krr h ASP 142 Ca -0.00 -0.73 -0.01 0.00 -0.62 0.00 0.00 57.03 55.67 2krr h ASP 142 Cb 0.92 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.27 2krr h ASP 142 CO 0.05 1.61 -0.07 0.00 -3.12 0.00 0.00 179.24 177.71 2krr h ALA 143 N 0.31 -0.18 -0.43 3.45 0.00 -1.27 0.58 119.26 121.71 2krr h ALA 143 Ca -0.29 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 54.64 2krr h ALA 143 Cb 2.06 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.90 2krr h ALA 143 CO 0.17 -0.18 0.42 1.05 0.00 0.00 0.00 179.25 180.71 2krr h GLU 144 N -1.03 0.00 0.00 0.00 4.11 -1.25 -1.25 114.58 115.17 2krr h GLU 144 Ca -0.02 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.31 2krr h GLU 144 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2krr h GLU 144 CO 0.03 0.00 -0.69 -0.22 0.07 0.00 0.00 179.01 178.20 2krr h LYS 145 N 0.00 0.00 -0.59 1.06 3.64 -1.61 -3.35 116.57 115.71 2krr h LYS 145 Ca 0.21 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.76 2krr h LYS 145 Cb 1.04 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 2krr h LYS 145 CO -0.00 0.64 0.60 1.15 -2.27 0.00 0.00 179.45 179.58 2krr h THR 146 N -1.00 0.33 -0.16 1.00 2.02 -0.33 -1.05 112.91 113.72 2krr h THR 146 Ca -0.16 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.05 2krr h THR 146 Cb 0.91 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.79 2krr h THR 146 CO -0.10 0.00 -0.38 0.15 0.37 0.00 0.00 175.52 175.56 2krr h PHE 147 N 0.00 -1.14 0.00 3.16 3.57 -1.38 0.33 116.94 121.47 2krr h PHE 147 Ca 0.28 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.83 2krr h PHE 147 Cb 1.49 0.52 0.00 0.00 2.79 0.00 0.00 35.95 40.75 2krr h PHE 147 CO 0.00 -0.36 -0.47 1.05 -2.23 0.00 0.00 178.31 176.30 2krr h GLU 148 N -0.36 0.00 0.00 1.11 4.11 -1.65 0.00 114.58 117.80 2krr h GLU 148 Ca 0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.46 2krr h GLU 148 Cb 0.45 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2krr h GLU 148 CO -0.34 0.00 -0.01 1.49 0.07 0.00 0.00 179.01 180.21 2krr h GLU 149 N 0.00 0.00 0.00 1.06 4.81 -0.66 -3.29 114.58 116.50 2krr h GLU 149 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2krr h GLU 149 Cb 0.96 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 2krr h GLU 149 CO 0.00 0.01 -1.13 1.63 -0.73 0.00 0.00 179.01 178.80 2krr n LYS 150 N -3.11 3.17 -1.53 1.92 4.01 0.11 -5.00 118.16 117.73 2krr n LYS 150 Ca 0.01 -0.00 -0.46 0.00 -0.51 0.00 0.00 58.31 57.35 2krr n LYS 150 Cb 0.36 -1.05 -0.02 0.00 -0.51 0.00 0.00 35.03 33.81 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 -2.00 0.92 0.00 1.97 7.27 -0.01 -3.51 117.38 122.02 2krr n GLN 151 Ca -0.03 0.32 0.00 0.00 0.07 0.00 0.00 57.00 57.37 2krr n GLN 151 Cb 0.49 -1.59 0.00 0.00 2.41 0.00 0.00 30.24 31.54 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 1.51 0.95 3.83 1.69 0.00 -1.26 -4.94 105.19 106.97 2krr n GLY 152 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.08 2.61 -1.32 -1.23 -5.00 115.64 111.95 2krr s THR 153 Ca 0.00 0.44 0.03 0.00 -1.21 0.00 0.00 61.69 60.94 2krr s THR 153 Cb 0.00 -3.27 0.01 0.00 -1.51 0.00 0.00 72.50 67.73 2krr s THR 153 CO 0.00 -0.57 -0.17 -0.70 -2.21 0.00 0.00 174.62 170.97 2krr s GLU 154 N -5.21 2.25 -0.04 7.08 2.12 -1.26 -3.32 118.70 120.32 2krr s GLU 154 Ca 0.59 -0.60 0.01 0.00 0.36 0.00 0.00 54.97 55.34 2krr s GLU 154 Cb -0.13 -1.80 0.02 0.00 0.26 0.00 0.00 34.13 32.48 2krr s GLU 154 CO 0.53 0.06 -0.03 0.42 -0.54 0.00 0.00 175.26 175.71 2krr s ILE 155 N 0.61 0.41 -1.69 -3.70 1.09 0.13 -4.77 121.20 113.28 2krr s ILE 155 Ca -0.15 -0.07 0.00 0.00 -1.10 0.00 0.00 60.65 59.33 2krr s ILE 155 Cb -0.16 -0.45 0.00 0.00 -1.06 0.00 0.00 42.46 40.79 2krr s ILE 155 CO 0.05 0.19 0.00 -0.67 -0.10 0.00 0.00 174.94 174.40 2krr n ASP 156 N 3.96 -4.98 0.00 3.58 -0.08 -1.26 -1.86 116.55 115.91 2krr n ASP 156 Ca -0.25 0.39 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 2krr n ASP 156 Cb 0.51 -3.88 0.00 0.00 2.34 0.00 0.00 41.12 40.09 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 -0.94 3.03 3.98 0.27 0.00 -1.26 -5.03 105.19 105.24 2krr n GLY 157 Ca -0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.19 2.60 -0.35 1.61 1.70 -0.78 -5.05 118.95 118.50 2krr s ARG 158 Ca 0.00 -0.87 -0.09 0.00 -0.47 0.00 0.00 55.73 54.29 2krr s ARG 158 Cb 0.00 -2.54 0.02 0.00 -0.57 0.00 0.00 34.95 31.86 2krr s ARG 158 CO 0.00 -0.63 0.17 -1.12 -1.08 0.00 0.00 175.30 172.64 2krr s SER 159 N -4.41 5.56 0.30 -2.89 0.01 -1.26 0.20 113.70 111.21 2krr s SER 159 Ca 0.57 -0.94 -0.28 0.00 1.31 0.00 0.00 55.95 56.61 2krr s SER 159 Cb -0.10 -1.97 -0.09 0.00 0.21 0.00 0.00 66.02 64.06 2krr s SER 159 CO 0.37 -0.33 1.00 0.27 0.41 0.00 0.00 173.24 174.96 2krr s ILE 160 N 1.52 3.91 0.25 1.44 -4.36 -1.21 -4.92 121.20 117.82 2krr s ILE 160 Ca 0.02 1.74 0.11 0.00 -0.26 0.00 0.00 60.65 62.26 2krr s ILE 160 Cb -0.19 -4.04 -0.05 0.00 1.25 0.00 0.00 42.46 39.44 2krr s ILE 160 CO 0.05 0.28 -0.19 -0.44 0.24 0.00 0.00 174.94 174.89 2krr s SER 161 N -1.30 3.67 0.06 4.36 0.01 -1.03 -4.40 113.70 115.08 2krr s SER 161 Ca 0.47 -0.92 0.07 0.00 1.31 0.00 0.00 55.95 56.88 2krr s SER 161 Cb -0.25 -0.36 -0.03 0.00 0.21 0.00 0.00 66.02 65.60 2krr s SER 161 CO 0.31 0.06 -0.18 -0.22 0.41 0.00 0.00 173.24 173.62 2krr s LEU 162 N -3.23 2.20 0.31 2.44 2.96 -1.26 -2.01 118.68 120.09 2krr s LEU 162 Ca 0.27 -0.54 -0.03 0.00 -0.22 0.00 0.00 54.13 53.61 2krr s LEU 162 Cb -0.06 -0.81 -0.01 0.00 0.50 0.00 0.00 46.19 45.81 2krr s LEU 162 CO 0.14 0.09 0.42 -0.31 -1.32 0.00 0.00 176.35 175.36 2krr s TYR 163 N -0.92 1.05 -0.07 5.38 1.51 0.01 -4.97 117.35 119.34 2krr s TYR 163 Ca 0.05 -1.26 0.04 0.00 -1.01 0.00 0.00 57.07 54.89 2krr s TYR 163 Cb -0.09 -0.16 -0.01 0.00 -0.11 0.00 0.00 41.96 41.59 2krr s TYR 163 CO 0.02 -1.04 -0.21 1.52 -1.11 0.00 0.00 175.55 174.73 2krr s TYR 164 N -3.35 2.55 -0.21 2.71 -0.85 -1.26 0.13 117.35 117.07 2krr s TYR 164 Ca 0.31 -0.66 -0.06 0.00 -0.52 0.00 0.00 57.07 56.15 2krr s TYR 164 Cb 0.01 -1.65 0.10 0.00 0.38 0.00 0.00 41.96 40.79 2krr s TYR 164 CO 0.19 -0.18 0.42 -0.08 -1.52 0.00 0.00 175.55 174.38 2krr s THR 165 N -0.12 -0.65 -0.46 -3.49 -1.32 -1.26 -4.89 115.64 103.45 2krr s THR 165 Ca -0.04 0.13 0.06 0.00 -1.21 0.00 0.00 61.69 60.63 2krr s THR 165 Cb -0.14 -0.70 0.31 0.00 -1.51 0.00 0.00 72.50 70.46 2krr s THR 165 CO 0.04 0.04 1.07 0.61 -2.21 0.00 0.00 174.62 174.17 2krr n GLY 166 N 5.39 0.53 3.35 6.08 0.00 -1.26 -4.92 105.19 114.35 2krr n GLY 166 Ca -0.08 0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 0.60 -0.33 -1.22 1.61 1.02 -1.26 -4.75 120.64 116.30 2krr n GLU 167 Ca 0.07 -0.06 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 2krr n GLU 167 Cb 0.69 -1.72 0.13 0.00 -0.02 0.00 0.00 31.44 30.51 2krr n GLU 167 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2krr s PRO 168 N -3.38 1.50 0.08 3.49 0.04 -1.26 -4.98 135.00 130.48 2krr s PRO 168 Ca 0.54 0.91 0.22 0.00 0.04 0.00 0.00 61.00 62.71 2krr s PRO 168 Cb -0.20 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 2krr s PRO 168 CO 0.70 -2.10 0.87 1.63 0.04 0.00 0.00 177.00 178.14 2krr n LYS 169 N -3.80 0.50 -2.23 4.56 4.76 -1.26 -4.96 118.16 115.73 2krr n LYS 169 Ca 0.07 -0.02 -0.17 0.00 -2.87 0.00 0.00 58.31 55.32 2krr n LYS 169 Cb 0.55 -1.65 -0.02 0.00 -1.84 0.00 0.00 35.03 32.07 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 1.28 -0.05 0.20 0.72 0.00 -1.26 -4.86 105.19 101.21 2krr n GLY 170 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 2krr n GLY 170 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2krr h GLU 171 N 0.00 0.70 0.00 1.61 4.11 -2.04 -3.39 114.58 115.57 2krr h GLU 171 Ca -0.40 -0.69 0.00 0.00 0.07 0.00 0.00 59.36 58.34 2krr h GLU 171 Cb 1.27 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.70 2krr h GLU 171 CO 0.49 1.28 -0.26 0.41 0.07 0.00 0.00 179.01 181.01 2krr n GLY 172 N 0.97 0.34 0.08 1.06 0.00 -1.26 -4.85 105.19 101.53 2krr n GLY 172 Ca -0.10 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 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 0.07 0.00 0.99 3.38 -1.96 -3.54 115.31 114.25 2krr h LEU 173 Ca 0.00 -0.96 0.00 0.00 0.09 0.00 0.00 57.88 57.01 2krr h LEU 173 Cb 1.17 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2krr h LEU 173 CO 0.00 1.02 0.00 -0.62 0.09 0.00 0.00 178.44 178.93