#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 0.00 -0.00 2.61 -1.32 -1.26 -5.08 115.64 110.59 2krr s THR 2 Ca 0.00 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.26 2krr s THR 2 Cb 0.00 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.87 2krr s THR 2 CO 0.00 0.00 0.95 -0.33 -2.21 0.00 0.00 174.62 173.03 2krr h GLU 3 N 3.61 -0.78 -7.21 7.08 4.39 -2.02 -3.45 114.58 116.20 2krr h GLU 3 Ca -0.25 0.05 -0.51 0.00 0.34 0.00 0.00 59.36 58.99 2krr h GLU 3 Cb 1.18 0.18 0.10 0.00 -0.10 0.00 0.00 28.75 30.11 2krr h GLU 3 CO 0.16 -0.52 0.37 -1.25 -1.16 0.00 0.00 179.01 176.61 2krr s PRO 4 N -4.20 2.76 -0.08 2.33 0.04 -1.26 -4.97 135.00 129.62 2krr s PRO 4 Ca -0.12 1.38 0.08 0.00 0.04 0.00 0.00 61.00 62.38 2krr s PRO 4 Cb 0.01 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.49 2krr s PRO 4 CO 0.35 -1.28 0.05 -2.37 0.04 0.00 0.00 177.00 173.80 2krr n THR 5 N -2.49 0.51 -4.11 1.26 5.66 -1.26 -5.04 114.28 108.80 2krr n THR 5 Ca 0.10 -0.34 -0.24 0.00 -3.05 0.00 0.00 64.05 60.52 2krr n THR 5 Cb 0.52 -0.63 -0.07 0.00 -1.55 0.00 0.00 70.33 68.60 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 -2.27 2.55 -0.81 1.09 -4.23 -1.26 -5.03 115.64 105.69 2krr s THR 6 Ca -0.04 -1.71 0.25 0.00 -1.18 0.00 0.00 61.69 59.01 2krr s THR 6 Cb 0.03 -2.97 0.10 0.00 1.34 0.00 0.00 72.50 71.00 2krr s THR 6 CO 0.36 -0.07 1.50 0.00 -0.54 0.00 0.00 174.62 175.86 2krr n ALA 7 N -1.20 2.93 -2.56 3.99 0.00 -1.26 -4.76 120.51 117.65 2krr n ALA 7 Ca -0.02 -0.23 -0.43 0.00 0.00 0.00 0.00 53.44 52.77 2krr n ALA 7 Cb 0.63 -1.24 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 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 -3.09 2.98 0.01 0.00 0.40 -1.26 -5.01 117.98 112.02 2krr s PHE 8 Ca 0.09 0.37 -0.17 0.00 -0.60 0.00 0.00 56.93 56.62 2krr s PHE 8 Cb 0.15 -3.78 0.03 0.00 0.51 0.00 0.00 43.02 39.94 2krr s PHE 8 CO 0.67 -1.00 0.37 -0.80 0.70 0.00 0.00 175.22 175.17 2krr s ASN 9 N 2.14 -0.24 0.09 1.36 -0.87 -1.26 -1.29 114.94 114.86 2krr s ASN 9 Ca 0.34 0.05 0.05 0.00 -1.57 0.00 0.00 52.86 51.73 2krr s ASN 9 Cb -0.11 0.38 -0.03 0.00 -0.02 0.00 0.00 41.25 41.46 2krr s ASN 9 CO 0.23 -0.57 -0.13 -1.48 -2.57 0.00 0.00 177.10 172.59 2krr s LEU 10 N -1.69 2.34 -0.25 0.60 0.05 -0.60 -4.85 118.68 114.28 2krr s LEU 10 Ca -0.09 -0.71 -0.25 0.00 0.05 0.00 0.00 54.13 53.13 2krr s LEU 10 Cb -0.02 -0.44 -0.00 0.00 -2.05 0.00 0.00 46.19 43.67 2krr s LEU 10 CO 0.01 -0.15 0.86 0.12 -0.55 0.00 0.00 176.35 176.64 2krr s PHE 11 N -1.80 3.30 0.28 3.48 2.19 0.95 -1.37 117.98 125.01 2krr s PHE 11 Ca 0.02 1.15 0.09 0.00 0.33 0.00 0.00 56.93 58.52 2krr s PHE 11 Cb -0.07 -3.11 -0.04 0.00 -1.31 0.00 0.00 43.02 38.49 2krr s PHE 11 CO 0.02 -0.44 0.01 0.14 1.83 0.00 0.00 175.22 176.79 2krr s VAL 12 N 2.92 3.40 0.37 3.12 -7.23 0.56 0.10 120.40 123.65 2krr s VAL 12 Ca 0.36 -1.89 -0.04 0.00 -1.81 0.00 0.00 61.98 58.60 2krr s VAL 12 Cb -0.15 -2.87 0.02 0.00 0.56 0.00 0.00 36.38 33.94 2krr s VAL 12 CO 0.08 -0.35 0.56 0.61 -0.31 0.00 0.00 175.10 175.69 2krr n GLY 13 N -0.93 1.86 3.61 2.32 0.00 0.11 -1.14 105.19 111.02 2krr n GLY 13 Ca -0.06 -1.56 -0.25 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.59 -4.13 -1.19 1.61 5.15 0.12 -0.10 115.26 115.13 2krr n ASN 14 Ca -0.01 -0.90 0.11 0.00 -0.60 0.00 0.00 54.58 53.18 2krr n ASN 14 Cb 0.61 -3.92 0.27 0.00 -0.53 0.00 0.00 39.78 36.20 2krr n ASN 14 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2krr n LEU 15 N -4.03 3.66 -1.25 1.20 4.77 -0.56 -3.09 117.00 117.70 2krr n LEU 15 Ca -0.16 -1.86 0.00 0.00 -0.03 0.00 0.00 56.01 53.97 2krr n LEU 15 Cb 0.63 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2krr n LEU 15 CO 0.66 0.88 -0.33 -0.46 -1.33 0.00 0.00 177.39 176.81 2krr n ASN 16 N 1.43 -6.98 -3.62 -1.43 6.94 -1.25 -4.88 115.26 105.47 2krr n ASN 16 Ca 0.21 0.92 -0.30 0.00 -0.02 0.00 0.00 54.58 55.39 2krr n ASN 16 Cb 0.58 -3.18 -0.07 0.00 -2.36 0.00 0.00 39.78 34.75 2krr n ASN 16 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 2krr n PHE 17 N -0.11 3.45 0.00 -2.53 -1.74 -1.22 -4.46 117.46 110.85 2krr n PHE 17 Ca 0.00 -3.94 0.00 0.00 -0.56 0.00 0.00 57.45 52.95 2krr n PHE 17 Cb 0.00 -0.72 0.00 0.00 1.52 0.00 0.00 39.48 40.28 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 1.16 1.81 -3.44 5.98 3.02 -1.26 -5.03 115.26 117.50 2krr n ASN 18 Ca 0.28 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.69 2krr n ASN 18 Cb 0.39 0.10 0.07 0.00 -0.61 0.00 0.00 39.78 39.74 2krr n ASN 18 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2krr n LYS 19 N -1.48 0.11 -0.99 3.52 4.76 -1.26 -5.08 118.16 117.73 2krr n LYS 19 Ca 0.00 -1.54 -0.29 0.00 -2.87 0.00 0.00 58.31 53.61 2krr n LYS 19 Cb 0.20 -0.42 0.19 0.00 -1.84 0.00 0.00 35.03 33.16 2krr n LYS 19 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2krr s SER 20 N -3.40 2.30 0.02 4.39 0.01 -1.26 -4.94 113.70 110.83 2krr s SER 20 Ca 0.39 1.36 -0.28 0.00 1.31 0.00 0.00 55.95 58.72 2krr s SER 20 Cb -0.02 -2.05 -0.16 0.00 0.21 0.00 0.00 66.02 64.00 2krr s SER 20 CO 0.26 -3.35 1.21 0.00 0.41 0.00 0.00 173.24 171.77 2krr h ALA 21 N -2.04 -0.96 0.00 1.44 0.00 -1.98 -2.99 119.26 112.73 2krr h ALA 21 Ca -0.55 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2krr h ALA 21 Cb 1.32 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2krr h ALA 21 CO 0.55 -0.92 0.00 -0.35 0.00 0.00 0.00 179.25 178.53 2krr n PRO 22 N -5.43 0.15 0.14 0.00 -0.04 -1.26 -2.18 135.00 126.40 2krr n PRO 22 Ca -0.13 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 2krr n PRO 22 Cb 0.39 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.23 0.54 4.57 -1.89 -3.32 114.58 114.71 2krr h GLU 23 Ca 0.00 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.84 2krr h GLU 23 Cb 0.17 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 28.79 2krr h GLU 23 CO 0.00 0.00 -1.54 -0.07 -1.18 0.00 0.00 179.01 176.22 2krr h LEU 24 N 0.00 0.77 -1.21 1.64 3.38 -1.40 -3.32 115.31 115.17 2krr h LEU 24 Ca 0.00 -0.93 0.19 0.00 0.09 0.00 0.00 57.88 57.23 2krr h LEU 24 Cb 0.90 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 41.31 2krr h LEU 24 CO 0.00 1.73 0.61 0.11 0.09 0.00 0.00 178.44 180.98 2krr h LYS 25 N 0.11 0.62 0.78 1.13 1.57 -1.68 -1.51 116.57 117.60 2krr h LYS 25 Ca -0.28 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.43 2krr h LYS 25 Cb 2.13 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 34.30 2krr h LYS 25 CO 0.24 0.41 -0.45 1.15 -0.57 0.00 0.00 179.45 180.23 2krr h THR 26 N 0.64 0.00 -0.49 -0.16 2.02 -1.70 -1.31 112.91 111.91 2krr h THR 26 Ca 0.53 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.79 2krr h THR 26 Cb 0.98 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.33 2krr h THR 26 CO -0.29 0.00 0.12 1.23 0.37 0.00 0.00 175.52 176.95 2krr h GLY 27 N -1.14 0.61 0.35 2.16 0.00 -1.55 0.29 103.07 103.79 2krr h GLY 27 Ca -0.11 -0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.24 2krr h GLY 27 CO 0.13 -0.05 -0.16 -2.22 0.00 0.00 0.00 176.54 174.24 2krr h ILE 28 N 0.26 0.56 0.00 2.60 2.04 -1.21 0.07 117.51 121.82 2krr h ILE 28 Ca 0.24 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.10 2krr h ILE 28 Cb 0.31 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2krr h ILE 28 CO -0.30 0.00 -0.01 0.77 0.00 0.00 0.00 178.15 178.61 2krr h SER 29 N -0.16 0.00 0.48 1.72 4.64 -0.74 -3.19 113.55 116.30 2krr h SER 29 Ca 0.12 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 2krr h SER 29 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2krr h SER 29 CO -0.30 0.01 -0.23 -0.78 -0.87 0.00 0.00 176.83 174.65 2krr h ASP 30 N 0.00 -0.54 -1.00 4.97 3.58 0.14 -2.26 116.42 121.31 2krr h ASP 30 Ca -0.00 0.02 0.25 0.00 0.42 0.00 0.00 57.03 57.71 2krr h ASP 30 Cb 0.58 0.14 -0.13 0.00 1.72 0.00 0.00 39.33 41.65 2krr h ASP 30 CO 0.00 -0.16 0.59 1.62 -2.88 0.00 0.00 179.24 178.41 2krr h VAL 31 N -1.10 0.53 -0.62 2.25 3.04 -1.25 0.23 116.25 119.34 2krr h VAL 31 Ca -0.07 -0.20 -0.10 0.00 -1.01 0.00 0.00 66.70 65.33 2krr h VAL 31 Cb 0.49 -0.09 -0.02 0.00 -2.01 0.00 0.00 31.29 29.65 2krr h VAL 31 CO 0.11 0.10 0.01 -0.26 -1.01 0.00 0.00 177.57 176.53 2krr h PHE 32 N 0.58 1.18 -0.01 3.17 0.04 -1.59 -2.38 116.94 117.93 2krr h PHE 32 Ca 0.65 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 61.22 2krr h PHE 32 Cb 1.23 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 39.07 2krr h PHE 32 CO -0.01 1.03 0.02 0.00 -0.60 0.00 0.00 178.31 178.75 2krr h ALA 33 N 1.00 1.20 0.00 2.45 0.00 0.07 0.80 119.26 124.78 2krr h ALA 33 Ca 0.18 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 2krr h ALA 33 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2krr h ALA 33 CO 0.03 -0.02 -0.63 1.57 0.00 0.00 0.00 179.25 180.19 2krr h LYS 34 N 0.00 0.00 -0.96 0.00 2.10 -1.08 -3.26 116.57 113.37 2krr h LYS 34 Ca 0.00 0.00 -0.41 0.00 -2.00 0.00 0.00 60.65 58.24 2krr h LYS 34 Cb 0.04 0.00 -0.25 0.00 -0.90 0.00 0.00 32.23 31.12 2krr h LYS 34 CO -0.00 0.42 0.52 0.09 -2.00 0.00 0.00 179.45 178.48 2krr n ASN 35 N -3.14 3.80 -2.26 7.07 3.02 0.11 -4.86 115.26 119.00 2krr n ASN 35 Ca 0.00 -3.35 -0.21 0.00 -0.03 0.00 0.00 54.58 50.99 2krr n ASN 35 Cb 0.73 -0.78 -0.02 0.00 -0.61 0.00 0.00 39.78 39.09 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 -0.80 -5.78 -4.65 6.41 9.92 -1.19 -4.97 116.55 115.48 2krr n ASP 36 Ca 0.50 0.08 -0.35 0.00 -0.53 0.00 0.00 54.79 54.49 2krr n ASP 36 Cb 1.49 -4.86 -0.10 0.00 -0.64 0.00 0.00 41.12 37.01 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 -5.80 3.51 -0.11 0.64 1.43 -0.25 -5.02 118.68 113.08 2krr s LEU 37 Ca 0.00 0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.22 2krr s LEU 37 Cb 0.00 -1.81 -0.00 0.00 0.03 0.00 0.00 46.19 44.41 2krr s LEU 37 CO 0.00 0.34 -0.21 0.00 0.23 0.00 0.00 176.35 176.71 2krr s ALA 38 N -0.67 2.28 -0.03 4.21 0.00 -1.26 -3.08 121.76 123.21 2krr s ALA 38 Ca 0.11 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.13 2krr s ALA 38 Cb -0.12 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 2krr s ALA 38 CO 0.02 0.26 -0.05 0.14 0.00 0.00 0.00 175.76 176.14 2krr s VAL 39 N 0.37 3.81 -0.12 0.00 -7.23 -1.26 -3.67 120.40 112.30 2krr s VAL 39 Ca -0.17 -0.61 0.17 0.00 -1.81 0.00 0.00 61.98 59.56 2krr s VAL 39 Cb -0.17 -2.63 -0.17 0.00 0.56 0.00 0.00 36.38 33.97 2krr s VAL 39 CO 0.08 0.47 0.71 1.33 -0.31 0.00 0.00 175.10 177.38 2krr n VAL 40 N 1.76 1.16 -3.64 1.32 0.24 -0.10 -4.87 118.33 114.19 2krr n VAL 40 Ca -0.16 -0.70 -0.05 0.00 -2.04 0.00 0.00 64.34 61.39 2krr n VAL 40 Cb 0.53 -0.68 -0.07 0.00 -1.47 0.00 0.00 33.84 32.15 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 -5.68 -0.20 -0.05 -1.34 2.15 -1.23 -4.87 116.67 105.46 2krr s ASP 41 Ca -0.04 0.38 0.06 0.00 0.43 0.00 0.00 52.55 53.38 2krr s ASP 41 Cb 0.09 0.40 -0.02 0.00 -0.30 0.00 0.00 42.92 43.09 2krr s ASP 41 CO 0.82 -0.07 -0.22 -0.69 -0.17 0.00 0.00 175.17 174.85 2krr s VAL 42 N 0.13 2.37 0.01 1.11 1.01 -1.26 -0.02 120.40 123.75 2krr s VAL 42 Ca 0.06 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.10 2krr s VAL 42 Cb -0.05 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 2krr s VAL 42 CO -0.12 0.58 -0.06 -0.60 0.00 0.00 0.00 175.10 174.89 2krr s ARG 43 N -0.43 2.54 -0.03 2.72 6.06 0.81 -4.94 118.95 125.67 2krr s ARG 43 Ca 0.05 -0.74 0.06 0.00 -2.50 0.00 0.00 55.73 52.60 2krr s ARG 43 Cb -0.12 -2.50 -0.01 0.00 0.06 0.00 0.00 34.95 32.38 2krr s ARG 43 CO 0.01 0.60 -0.22 0.42 -2.50 0.00 0.00 175.30 173.61 2krr s ILE 44 N -1.03 1.78 0.84 4.11 -1.09 -1.26 -1.16 121.20 123.39 2krr s ILE 44 Ca 0.18 -0.94 -0.14 0.00 -2.23 0.00 0.00 60.65 57.52 2krr s ILE 44 Cb -0.11 -1.49 0.21 0.00 -1.58 0.00 0.00 42.46 39.49 2krr s ILE 44 CO 0.08 0.50 0.77 0.61 -1.23 0.00 0.00 174.94 175.68 2krr n GLY 45 N 2.77 -2.58 0.20 6.18 0.00 0.11 -4.93 105.19 106.94 2krr n GLY 45 Ca -0.17 -1.50 0.10 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.01 -3.16 114.93 111.36 2krr h MET 46 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.41 2krr h MET 46 Cb 0.87 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.47 2krr h MET 46 CO 0.19 0.12 -0.46 -2.37 -0.00 0.00 0.00 176.91 174.39 2krr n THR 47 N -3.11 0.00 -1.54 -0.10 5.66 -1.26 -4.93 114.28 109.00 2krr n THR 47 Ca 0.03 -0.09 -0.19 0.00 -3.05 0.00 0.00 64.05 60.76 2krr n THR 47 Cb 0.58 0.53 -0.08 0.00 -1.55 0.00 0.00 70.33 69.81 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 -0.96 -1.51 -0.00 1.09 3.00 -1.20 -4.64 116.66 112.44 2krr n ARG 48 Ca 0.09 1.16 0.07 0.00 -0.01 0.00 0.00 57.85 59.15 2krr n ARG 48 Cb 0.36 -5.55 -0.08 0.00 0.00 0.00 0.00 32.46 27.18 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 -2.04 2.15 -3.89 5.56 4.81 -1.26 -3.39 118.16 120.09 2krr n LYS 49 Ca -0.19 -0.02 -0.09 0.00 -0.87 0.00 0.00 58.31 57.14 2krr n LYS 49 Cb 0.67 -1.18 -0.01 0.00 0.02 0.00 0.00 35.03 34.53 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 -2.40 0.21 -1.19 5.64 -0.71 -1.26 0.16 117.98 118.43 2krr s PHE 50 Ca 0.04 -0.72 0.00 0.00 -1.04 0.00 0.00 56.93 55.20 2krr s PHE 50 Cb 0.10 0.58 0.00 0.00 -1.21 0.00 0.00 43.02 42.49 2krr s PHE 50 CO 0.57 -1.34 0.00 0.41 -1.34 0.00 0.00 175.22 173.52 2krr n GLY 51 N -0.50 -0.75 3.06 1.99 0.00 -0.30 0.05 105.19 108.76 2krr n GLY 51 Ca -0.05 -0.37 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 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 0.47 -0.10 1.61 1.51 -0.31 -0.32 117.35 116.21 2krr s TYR 52 Ca 0.00 -0.88 0.00 0.00 -1.01 0.00 0.00 57.07 55.18 2krr s TYR 52 Cb 0.00 -0.34 0.02 0.00 -0.11 0.00 0.00 41.96 41.54 2krr s TYR 52 CO 0.00 -0.30 -0.08 0.08 -1.11 0.00 0.00 175.55 174.14 2krr s VAL 53 N -3.08 1.04 -0.07 0.71 1.01 -0.47 -0.13 120.40 119.41 2krr s VAL 53 Ca -0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 2krr s VAL 53 Cb 0.02 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 2krr s VAL 53 CO -0.07 0.36 0.34 -1.81 0.00 0.00 0.00 175.10 173.92 2krr s ASP 54 N 1.49 6.63 0.09 3.32 1.01 0.97 -1.55 116.67 128.63 2krr s ASP 54 Ca 0.01 0.75 0.10 0.00 0.71 0.00 0.00 52.55 54.12 2krr s ASP 54 Cb -0.13 -2.20 -0.03 0.00 1.01 0.00 0.00 42.92 41.56 2krr s ASP 54 CO -0.06 0.25 -0.27 -0.36 0.21 0.00 0.00 175.17 174.95 2krr s PHE 55 N -0.52 2.32 0.22 4.23 0.40 -0.42 -0.92 117.98 123.28 2krr s PHE 55 Ca 0.21 -0.39 -0.09 0.00 -0.60 0.00 0.00 56.93 56.05 2krr s PHE 55 Cb -0.15 -1.31 0.32 0.00 0.51 0.00 0.00 43.02 42.39 2krr s PHE 55 CO 0.09 0.24 1.73 0.93 0.70 0.00 0.00 175.22 178.91 2krr h GLU 56 N 4.29 0.34 -4.44 0.44 5.08 -1.88 -3.40 114.58 115.01 2krr h GLU 56 Ca -0.49 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 57.68 2krr h GLU 56 Cb 1.16 -0.08 -0.15 0.00 0.50 0.00 0.00 28.75 30.18 2krr h GLU 56 CO 0.41 0.23 -0.69 0.45 -1.00 0.00 0.00 179.01 178.41 2krr s SER 57 N -5.34 0.80 0.57 1.42 0.15 -1.26 -4.93 113.70 105.11 2krr s SER 57 Ca -0.13 -1.01 0.28 0.00 0.70 0.00 0.00 55.95 55.80 2krr s SER 57 Cb 0.18 0.15 1.52 0.00 -1.71 0.00 0.00 66.02 66.16 2krr s SER 57 CO 0.75 -0.54 1.99 0.00 1.20 0.00 0.00 173.24 176.63 2krr h ALA 58 N 3.06 2.14 0.48 5.45 0.00 -1.96 -2.22 119.26 126.20 2krr h ALA 58 Ca -0.35 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2krr h ALA 58 Cb 1.15 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2krr h ALA 58 CO 0.65 -0.57 -0.43 0.93 0.00 0.00 0.00 179.25 179.84 2krr h GLU 59 N 0.00 -0.87 -0.75 0.00 5.08 -1.97 0.25 114.58 116.32 2krr h GLU 59 Ca 0.18 0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 2krr h GLU 59 Cb 0.92 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 2krr h GLU 59 CO -0.00 -0.58 0.29 -0.44 -1.00 0.00 0.00 179.01 177.28 2krr h ASP 60 N -0.91 1.02 0.77 1.42 3.32 -1.77 0.12 116.42 120.39 2krr h ASP 60 Ca -0.05 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 56.81 2krr h ASP 60 Cb 0.78 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 40.08 2krr h ASP 60 CO -0.03 0.91 -0.37 0.25 -1.72 0.00 0.00 179.24 178.28 2krr h LEU 61 N 1.08 -0.87 -1.81 1.55 6.46 -1.17 -2.45 115.31 118.10 2krr h LEU 61 Ca 0.25 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 58.03 2krr h LEU 61 Cb 0.21 0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.36 2krr h LEU 61 CO -0.02 -0.62 -0.02 -0.33 -0.62 0.00 0.00 178.44 176.83 2krr h GLU 62 N -1.04 0.09 -0.47 1.25 5.08 -0.51 -2.53 114.58 116.45 2krr h GLU 62 Ca -0.11 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2krr h GLU 62 Cb 0.79 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.97 2krr h GLU 62 CO 0.17 0.12 0.19 0.87 -1.00 0.00 0.00 179.01 179.37 2krr h LYS 63 N 0.09 0.38 -0.57 2.33 1.57 -0.56 -0.69 116.57 119.13 2krr h LYS 63 Ca 0.02 -0.02 0.15 0.00 -1.87 0.00 0.00 60.65 58.93 2krr h LYS 63 Cb 0.10 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 2krr h LYS 63 CO 0.00 0.25 0.40 0.00 -0.57 0.00 0.00 179.45 179.53 2krr h ALA 64 N 1.29 2.42 0.00 3.86 0.00 -0.98 0.31 119.26 126.16 2krr h ALA 64 Ca 0.22 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2krr h ALA 64 Cb 0.19 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2krr h ALA 64 CO -0.20 -0.58 -0.37 -0.07 0.00 0.00 0.00 179.25 178.03 2krr h LEU 65 N 0.08 0.00 0.00 0.00 3.38 -1.22 -3.33 115.31 114.22 2krr h LEU 65 Ca 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 2krr h LEU 65 Cb 0.96 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 2krr h LEU 65 CO -0.02 0.37 -0.13 -0.33 0.09 0.00 0.00 178.44 178.42 2krr h GLU 66 N 0.00 0.00 -7.40 1.13 4.39 0.12 -3.47 114.58 109.35 2krr h GLU 66 Ca -0.00 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 59.28 2krr h GLU 66 Cb 1.23 0.00 0.19 0.00 -0.10 0.00 0.00 28.75 30.07 2krr h GLU 66 CO 0.05 0.80 0.15 -0.48 -1.16 0.00 0.00 179.01 178.36 2krr s LEU 67 N -8.25 0.86 0.25 1.33 0.05 -0.18 -5.09 118.68 107.66 2krr s LEU 67 Ca -0.16 0.70 -0.04 0.00 0.05 0.00 0.00 54.13 54.68 2krr s LEU 67 Cb -0.01 -2.51 -0.02 0.00 -2.05 0.00 0.00 46.19 41.60 2krr s LEU 67 CO 0.55 -3.96 0.31 0.28 -0.55 0.00 0.00 176.35 172.97 2krr s THR 68 N -3.01 0.00 0.00 5.48 -1.32 -1.26 -4.92 115.64 110.61 2krr s THR 68 Ca 0.70 -1.76 0.00 0.00 -1.21 0.00 0.00 61.69 59.42 2krr s THR 68 Cb -0.11 -2.44 0.00 0.00 -1.51 0.00 0.00 72.50 68.44 2krr s THR 68 CO 0.56 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.58 2krr n GLY 69 N -0.40 0.70 3.41 6.08 0.00 -1.26 -5.07 105.19 108.65 2krr n GLY 69 Ca 0.01 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.94 3.64 0.01 0.99 1.43 -1.26 -5.07 118.68 117.48 2krr s LEU 70 Ca 0.00 -0.42 -0.17 0.00 -1.03 0.00 0.00 54.13 52.51 2krr s LEU 70 Cb 0.00 -1.91 0.03 0.00 0.03 0.00 0.00 46.19 44.34 2krr s LEU 70 CO 0.00 -0.11 0.37 -1.59 0.23 0.00 0.00 176.35 175.26 2krr s LYS 71 N 1.57 0.81 -0.05 1.70 0.00 -1.26 -2.35 119.74 120.16 2krr s LYS 71 Ca 0.05 -0.27 -0.07 0.00 0.00 0.00 0.00 55.97 55.68 2krr s LYS 71 Cb -0.16 0.36 0.01 0.00 0.00 0.00 0.00 37.83 38.04 2krr s LYS 71 CO 0.03 -0.25 0.18 0.14 0.00 0.00 0.00 175.35 175.45 2krr s VAL 72 N -1.91 0.03 -2.05 1.79 -7.23 0.81 -4.78 120.40 107.07 2krr s VAL 72 Ca -0.09 -0.21 0.00 0.00 -1.81 0.00 0.00 61.98 59.86 2krr s VAL 72 Cb -0.02 -0.33 0.00 0.00 0.56 0.00 0.00 36.38 36.59 2krr s VAL 72 CO 0.01 -0.12 0.00 0.49 -0.31 0.00 0.00 175.10 175.17 2krr n PHE 73 N 2.48 -0.19 0.00 2.82 3.72 -1.26 -1.94 117.46 123.09 2krr n PHE 73 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 2krr n PHE 73 Cb 0.58 -3.42 0.00 0.00 -0.94 0.00 0.00 39.48 35.70 2krr n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2krr n GLY 74 N -0.45 3.03 3.80 1.37 0.00 -1.26 -5.04 105.19 106.64 2krr n GLY 74 Ca -0.20 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 2krr n GLY 74 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2krr s ASN 75 N 0.00 5.79 -0.33 1.61 0.01 -0.82 -5.02 114.94 116.18 2krr s ASN 75 Ca 0.00 1.86 -0.15 0.00 -0.71 0.00 0.00 52.86 53.86 2krr s ASN 75 Cb 0.00 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.11 2krr s ASN 75 CO 0.00 -1.16 0.35 -0.70 -1.51 0.00 0.00 177.10 174.08 2krr s GLU 76 N -3.95 3.61 0.72 -0.60 2.12 -1.26 -0.13 118.70 119.20 2krr s GLU 76 Ca 0.65 -0.39 -0.13 0.00 0.36 0.00 0.00 54.97 55.45 2krr s GLU 76 Cb -0.17 -3.79 0.03 0.00 0.26 0.00 0.00 34.13 30.47 2krr s GLU 76 CO 0.35 -0.49 1.11 0.96 -0.54 0.00 0.00 175.26 176.66 2krr s ILE 77 N 2.00 3.11 -0.15 -3.70 -5.25 -0.99 -4.74 121.20 111.48 2krr s ILE 77 Ca 0.12 0.46 0.02 0.00 -0.99 0.00 0.00 60.65 60.25 2krr s ILE 77 Cb -0.16 -2.94 0.01 0.00 2.95 0.00 0.00 42.46 42.32 2krr s ILE 77 CO 0.11 -0.38 -0.21 -0.54 -1.79 0.00 0.00 174.94 172.13 2krr s LYS 78 N -4.38 3.01 -0.07 0.37 -0.14 0.85 -4.82 119.74 114.56 2krr s LYS 78 Ca 0.66 -0.85 -0.15 0.00 -1.36 0.00 0.00 55.97 54.27 2krr s LYS 78 Cb -0.20 -2.47 -0.05 0.00 -1.68 0.00 0.00 37.83 33.42 2krr s LYS 78 CO 0.48 -0.07 0.38 -0.51 -0.76 0.00 0.00 175.35 174.87 2krr s LEU 79 N 0.94 4.38 0.30 3.17 1.02 -1.26 0.06 118.68 127.29 2krr s LEU 79 Ca -0.04 0.80 -0.11 0.00 0.02 0.00 0.00 54.13 54.80 2krr s LEU 79 Cb -0.15 -2.53 0.01 0.00 0.02 0.00 0.00 46.19 43.55 2krr s LEU 79 CO -0.05 0.22 0.55 -1.61 0.02 0.00 0.00 176.35 175.48 2krr s GLU 80 N -0.40 1.80 -0.05 1.70 2.02 0.28 -4.99 118.70 119.06 2krr s GLU 80 Ca 0.22 -1.41 0.02 0.00 0.02 0.00 0.00 54.97 53.82 2krr s GLU 80 Cb -0.15 0.50 -0.03 0.00 0.10 0.00 0.00 34.13 34.55 2krr s GLU 80 CO 0.10 -0.77 -0.09 -1.59 0.02 0.00 0.00 175.26 172.93 2krr s LYS 81 N -3.43 2.66 0.36 1.61 0.00 -1.26 -0.04 119.74 119.64 2krr s LYS 81 Ca 0.23 -0.61 -0.06 0.00 0.00 0.00 0.00 55.97 55.53 2krr s LYS 81 Cb -0.02 -2.53 0.09 0.00 0.00 0.00 0.00 37.83 35.37 2krr s LYS 81 CO 0.13 0.65 0.32 -0.35 0.00 0.00 0.00 175.35 176.09 2krr n PRO 82 N 2.15 -1.63 -1.88 1.78 -0.04 -1.26 -4.81 135.00 129.31 2krr n PRO 82 Ca -0.17 -0.51 -0.42 0.00 -0.04 0.00 0.00 63.50 62.36 2krr n PRO 82 Cb 0.53 -0.48 -0.03 0.00 -0.04 0.00 0.00 33.50 33.48 2krr n PRO 82 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2krr s LYS 83 N -3.72 4.19 0.00 0.54 -2.85 -1.26 -4.91 119.74 111.73 2krr s LYS 83 Ca 0.21 2.42 0.00 0.00 -1.00 0.00 0.00 55.97 57.59 2krr s LYS 83 Cb -0.02 -3.17 0.00 0.00 -2.06 0.00 0.00 37.83 32.58 2krr s LYS 83 CO 0.16 -0.65 0.00 0.41 0.10 0.00 0.00 175.35 175.37 2krr n GLY 84 N 3.83 -1.50 3.21 0.59 0.00 -1.26 -5.14 105.19 104.92 2krr n GLY 84 Ca 0.14 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 2krr n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2krr s LYS 85 N -1.23 3.07 0.01 1.61 1.02 -1.26 -4.98 119.74 117.98 2krr s LYS 85 Ca 0.00 -0.85 -0.03 0.00 0.02 0.00 0.00 55.97 55.11 2krr s LYS 85 Cb 0.00 -2.40 0.01 0.00 -0.52 0.00 0.00 37.83 34.92 2krr s LYS 85 CO 0.00 0.09 0.13 -3.47 -0.92 0.00 0.00 175.35 171.18 2krr n ASP 86 N 3.78 -0.19 0.30 2.83 2.03 -1.26 -5.00 116.55 119.04 2krr n ASP 86 Ca -0.19 -1.09 0.19 0.00 0.52 0.00 0.00 54.79 54.22 2krr n ASP 86 Cb 0.52 0.30 0.88 0.00 -0.72 0.00 0.00 41.12 42.10 2krr n ASP 86 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2krr h SER 87 N 0.23 0.00 -0.00 1.67 0.02 -2.05 -2.36 113.55 111.06 2krr h SER 87 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2krr h SER 87 Cb 0.14 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 2krr h SER 87 CO 0.04 0.01 0.01 0.50 -1.14 0.00 0.00 176.83 176.26 2krr h LYS 88 N 0.00 0.00 -0.92 3.45 1.63 -1.98 -2.11 116.57 116.64 2krr h LYS 88 Ca -0.00 0.00 0.25 0.00 -0.85 0.00 0.00 60.65 60.05 2krr h LYS 88 Cb 0.32 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.90 2krr h LYS 88 CO 0.00 0.00 0.64 0.87 -3.45 0.00 0.00 179.45 177.51 2krr h LYS 89 N 0.00 0.12 -0.82 1.90 1.57 -1.80 0.19 116.57 117.72 2krr h LYS 89 Ca 0.00 -0.01 0.18 0.00 -1.87 0.00 0.00 60.65 58.95 2krr h LYS 89 Cb 0.02 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.25 2krr h LYS 89 CO -0.00 0.08 0.55 0.93 -0.57 0.00 0.00 179.45 180.44 2krr h GLU 90 N 0.12 0.35 0.00 3.15 5.08 -1.64 0.24 114.58 121.89 2krr h GLU 90 Ca 0.45 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.74 2krr h GLU 90 Cb 1.59 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.76 2krr h GLU 90 CO -0.07 0.23 -0.73 0.00 -1.00 0.00 0.00 179.01 177.45 2krr h ARG 91 N 0.36 0.00 0.00 2.33 3.08 -0.86 -3.26 114.38 116.03 2krr h ARG 91 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 2krr h ARG 91 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 2krr h ARG 91 CO -0.13 0.15 0.00 -0.25 -1.07 0.00 0.00 179.97 178.67 2krr n ASP 92 N -2.93 0.01 0.04 7.04 9.92 0.83 -2.55 116.55 128.90 2krr n ASP 92 Ca -0.00 0.50 0.08 0.00 -0.53 0.00 0.00 54.79 54.84 2krr n ASP 92 Cb 0.64 -0.50 0.35 0.00 -0.64 0.00 0.00 41.12 40.96 2krr n ASP 92 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2krr n ALA 93 N -1.50 1.60 -1.34 2.24 0.00 -1.06 -3.70 120.51 116.76 2krr n ALA 93 Ca 0.04 -0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.22 2krr n ALA 93 Cb 0.20 -1.26 -0.09 0.00 0.00 0.00 0.00 19.45 18.30 2krr n ALA 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2krr n ARG 94 N -1.72 2.89 -3.76 0.00 1.74 -1.06 -4.66 116.66 110.10 2krr n ARG 94 Ca 0.03 -1.97 -0.13 0.00 -0.77 0.00 0.00 57.85 55.01 2krr n ARG 94 Cb 0.17 -2.32 -0.11 0.00 -1.02 0.00 0.00 32.46 29.19 2krr n ARG 94 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2krr s THR 95 N 0.19 -0.00 0.28 0.55 2.01 -1.24 -2.56 115.64 114.86 2krr s THR 95 Ca 0.64 0.01 0.10 0.00 0.31 0.00 0.00 61.69 62.75 2krr s THR 95 Cb 0.28 -0.47 -0.05 0.00 0.01 0.00 0.00 72.50 72.27 2krr s THR 95 CO -0.08 0.00 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.04 2krr s LEU 96 N 0.25 3.03 0.05 4.42 2.01 0.97 -3.41 118.68 125.99 2krr s LEU 96 Ca -0.01 -0.78 0.08 0.00 0.01 0.00 0.00 54.13 53.44 2krr s LEU 96 Cb -0.03 -1.53 -0.03 0.00 0.01 0.00 0.00 46.19 44.62 2krr s LEU 96 CO -0.00 -0.02 -0.22 -0.22 1.01 0.00 0.00 176.35 176.90 2krr s LEU 97 N -3.64 2.18 0.03 1.79 2.96 0.25 -1.08 118.68 121.16 2krr s LEU 97 Ca 0.32 -0.55 0.05 0.00 -0.22 0.00 0.00 54.13 53.72 2krr s LEU 97 Cb -0.05 -1.05 -0.03 0.00 0.50 0.00 0.00 46.19 45.55 2krr s LEU 97 CO 0.19 0.18 -0.09 0.00 -1.32 0.00 0.00 176.35 175.31 2krr s ALA 98 N -0.82 2.94 0.24 5.97 0.00 0.15 0.07 121.76 130.31 2krr s ALA 98 Ca 0.09 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.97 2krr s ALA 98 Cb -0.09 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 2krr s ALA 98 CO 0.02 0.62 0.16 0.15 0.00 0.00 0.00 175.76 176.70 2krr s LYS 99 N -1.59 1.38 -1.38 0.00 1.02 -0.50 -2.30 119.74 116.38 2krr s LYS 99 Ca 0.18 -1.75 -0.00 0.00 0.02 0.00 0.00 55.97 54.41 2krr s LYS 99 Cb -0.11 0.17 0.00 0.00 -0.52 0.00 0.00 37.83 37.37 2krr s LYS 99 CO 0.09 -0.43 0.05 -1.71 -0.92 0.00 0.00 175.35 172.42 2krr n ASN 100 N -0.61 -4.88 -4.83 2.83 5.15 -1.23 -2.33 115.26 109.35 2krr n ASN 100 Ca 0.03 -0.04 -0.38 0.00 -0.60 0.00 0.00 54.58 53.59 2krr n ASN 100 Cb 0.65 -3.96 -0.06 0.00 -0.53 0.00 0.00 39.78 35.88 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 -4.75 4.44 0.89 1.20 1.43 -1.12 -4.51 118.68 116.26 2krr s LEU 101 Ca 0.02 0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 53.85 2krr s LEU 101 Cb -0.01 -2.48 0.13 0.00 0.03 0.00 0.00 46.19 43.85 2krr s LEU 101 CO 0.03 0.32 1.09 -2.16 0.23 0.00 0.00 176.35 175.86 2krr s PRO 102 N -0.93 1.28 0.00 1.29 0.04 -1.26 -4.30 135.00 131.12 2krr s PRO 102 Ca 0.22 0.83 0.24 0.00 0.04 0.00 0.00 61.00 62.33 2krr s PRO 102 Cb -0.16 -1.81 1.28 0.00 0.04 0.00 0.00 34.50 33.85 2krr s PRO 102 CO 0.11 -2.23 1.81 0.66 0.04 0.00 0.00 177.00 177.39 2krr n TYR 103 N -3.88 0.00 -0.57 0.56 4.01 -1.26 -2.48 117.16 113.54 2krr n TYR 103 Ca 0.07 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.88 2krr n TYR 103 Cb 0.55 -0.22 0.17 0.00 -0.31 0.00 0.00 39.34 39.53 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 -1.22 2.73 -1.84 -0.72 0.00 -1.26 -3.10 118.16 112.75 2krr n LYS 104 Ca 0.13 -2.35 -0.31 0.00 -0.00 0.00 0.00 58.31 55.78 2krr n LYS 104 Cb 0.17 -1.49 0.01 0.00 -0.00 0.00 0.00 35.03 33.73 2krr n LYS 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2krr s VAL 105 N -1.92 4.62 0.26 0.58 0.11 -1.03 -5.06 120.40 117.96 2krr s VAL 105 Ca 0.29 0.86 0.03 0.00 -2.93 0.00 0.00 61.98 60.22 2krr s VAL 105 Cb 0.21 -3.81 -0.03 0.00 -1.53 0.00 0.00 36.38 31.21 2krr s VAL 105 CO 0.10 -1.11 0.21 -0.89 -3.33 0.00 0.00 175.10 170.08 2krr s THR 106 N -3.16 0.00 0.06 5.04 2.01 -1.26 -4.76 115.64 113.57 2krr s THR 106 Ca 0.55 -1.99 -0.36 0.00 0.31 0.00 0.00 61.69 60.20 2krr s THR 106 Cb -0.11 -2.50 -0.20 0.00 0.01 0.00 0.00 72.50 69.70 2krr s THR 106 CO 0.54 0.00 1.53 1.56 -0.69 0.00 0.00 174.62 177.56 2krr h GLN 107 N 2.38 -1.26 -0.96 4.92 4.20 -1.98 -2.75 115.11 119.66 2krr h GLN 107 Ca -0.31 0.09 0.21 0.00 0.06 0.00 0.00 58.65 58.70 2krr h GLN 107 Cb 1.24 0.29 -0.08 0.00 0.30 0.00 0.00 27.48 29.23 2krr h GLN 107 CO 0.45 -0.84 0.62 0.22 -0.67 0.00 0.00 178.83 178.61 2krr h ASP 108 N -1.32 0.50 0.11 1.46 3.58 -1.98 -0.81 116.42 117.96 2krr h ASP 108 Ca -0.13 0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.38 2krr h ASP 108 Cb 1.00 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.99 2krr h ASP 108 CO 0.22 0.18 -0.36 -0.33 -2.88 0.00 0.00 179.24 176.07 2krr h GLU 109 N 0.49 -0.52 0.00 0.28 4.39 -1.90 -1.55 114.58 115.77 2krr h GLU 109 Ca 0.52 0.04 -0.04 0.00 0.34 0.00 0.00 59.36 60.22 2krr h GLU 109 Cb 1.18 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.94 2krr h GLU 109 CO -0.24 -0.34 -0.17 -0.07 -1.16 0.00 0.00 179.01 177.02 2krr h LEU 110 N -0.54 0.00 -0.61 1.33 3.38 -1.28 -1.56 115.31 116.04 2krr h LEU 110 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2krr h LEU 110 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2krr h LEU 110 CO -0.18 0.17 0.00 2.29 0.09 0.00 0.00 178.44 180.81 2krr n LYS 111 N -3.93 0.10 0.21 1.13 2.85 -0.36 -2.12 118.16 116.04 2krr n LYS 111 Ca -0.02 0.45 0.14 0.00 -1.05 0.00 0.00 58.31 57.84 2krr n LYS 111 Cb 0.26 -1.75 0.72 0.00 -0.65 0.00 0.00 35.03 33.61 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 -0.59 0.42 114.58 117.22 2krr h GLU 112 Ca 0.00 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 2krr h GLU 112 Cb 0.18 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 2krr h GLU 112 CO 0.00 0.00 -1.90 1.33 -1.16 0.00 0.00 179.01 177.28 2krr n VAL 113 N -2.51 0.94 -1.38 3.13 0.24 -0.90 -4.66 118.33 113.19 2krr n VAL 113 Ca -0.01 -0.22 -0.30 0.00 -2.04 0.00 0.00 64.34 61.77 2krr n VAL 113 Cb 0.11 -1.74 0.10 0.00 -1.47 0.00 0.00 33.84 30.84 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 -3.76 3.06 0.27 6.34 1.16 -1.20 -4.64 117.46 118.70 2krr n PHE 114 Ca -0.32 -2.66 0.18 0.00 -1.87 0.00 0.00 57.45 52.77 2krr n PHE 114 Cb 0.72 -1.21 0.93 0.00 -1.61 0.00 0.00 39.48 38.31 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 1.77 0.00 0.00 3.97 4.81 -0.42 0.42 114.58 125.13 2krr h GLU 115 Ca 0.58 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.81 2krr h GLU 115 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 2krr h GLU 115 CO 1.37 0.00 -0.15 0.22 -0.73 0.00 0.00 179.01 179.71 2krr h ASP 116 N 0.00 0.00 -2.31 1.04 3.58 -1.83 -3.47 116.42 113.43 2krr h ASP 116 Ca 0.04 -0.04 -0.48 0.00 0.42 0.00 0.00 57.03 56.97 2krr h ASP 116 Cb 0.39 0.00 0.24 0.00 1.72 0.00 0.00 39.33 41.68 2krr h ASP 116 CO -0.00 0.02 -1.25 0.00 -2.88 0.00 0.00 179.24 175.14 2krr n ALA 117 N -1.85 -4.17 0.23 -0.78 0.00 0.15 -4.94 120.51 109.14 2krr n ALA 117 Ca 0.05 -1.17 -0.10 0.00 0.00 0.00 0.00 53.44 52.22 2krr n ALA 117 Cb 0.45 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.81 -0.75 -2.55 0.00 0.00 -1.86 -3.48 119.26 108.80 2krr h ALA 118 Ca -0.50 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.15 2krr h ALA 118 Cb 1.35 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 19.25 2krr h ALA 118 CO 0.35 -0.71 -0.43 -1.83 0.00 0.00 0.00 179.25 176.63 2krr s GLU 119 N -3.71 1.05 -0.01 0.00 -1.05 -0.53 -5.03 118.70 109.42 2krr s GLU 119 Ca -0.09 -1.24 0.05 0.00 -0.15 0.00 0.00 54.97 53.53 2krr s GLU 119 Cb 0.01 0.33 -0.01 0.00 -0.44 0.00 0.00 34.13 34.02 2krr s GLU 119 CO 0.27 -0.35 -0.15 0.42 0.95 0.00 0.00 175.26 176.41 2krr s ILE 120 N -3.98 1.14 -0.21 1.83 1.09 -1.26 -2.27 121.20 117.54 2krr s ILE 120 Ca 0.18 -0.65 -0.05 0.00 -1.10 0.00 0.00 60.65 59.04 2krr s ILE 120 Cb 0.05 -0.96 0.07 0.00 -1.06 0.00 0.00 42.46 40.56 2krr s ILE 120 CO -0.01 0.30 0.11 -0.13 -0.10 0.00 0.00 174.94 175.11 2krr s ARG 121 N -0.40 0.10 0.37 2.79 1.81 0.13 -4.97 118.95 118.79 2krr s ARG 121 Ca 0.05 -0.21 -0.05 0.00 -1.72 0.00 0.00 55.73 53.81 2krr s ARG 121 Cb -0.06 -1.61 -0.05 0.00 -0.45 0.00 0.00 34.95 32.79 2krr s ARG 121 CO -0.00 -0.78 0.65 -0.51 -0.68 0.00 0.00 175.30 173.98 2krr s LEU 122 N 2.13 3.89 -0.29 2.53 2.01 -1.26 -0.27 118.68 127.42 2krr s LEU 122 Ca 0.04 0.78 0.01 0.00 0.01 0.00 0.00 54.13 54.97 2krr s LEU 122 Cb -0.16 -3.66 0.06 0.00 0.01 0.00 0.00 46.19 42.44 2krr s LEU 122 CO -0.18 -0.36 -0.03 0.54 1.01 0.00 0.00 176.35 177.33 2krr s VAL 123 N -2.36 2.58 0.04 -1.59 0.11 -1.25 -4.89 120.40 113.04 2krr s VAL 123 Ca 0.45 -1.62 -0.07 0.00 -2.93 0.00 0.00 61.98 57.81 2krr s VAL 123 Cb -0.10 -2.55 -0.00 0.00 -1.53 0.00 0.00 36.38 32.19 2krr s VAL 123 CO 0.36 -0.15 0.15 -0.94 -3.33 0.00 0.00 175.10 171.18 2krr s SER 124 N 1.19 0.10 -0.03 3.54 1.04 -1.26 -1.45 113.70 116.81 2krr s SER 124 Ca -0.05 -0.43 0.02 0.00 0.48 0.00 0.00 55.95 55.97 2krr s SER 124 Cb -0.20 0.25 0.01 0.00 0.10 0.00 0.00 66.02 66.19 2krr s SER 124 CO -0.04 -0.52 -0.06 -0.75 0.98 0.00 0.00 173.24 172.86 2krr s LYS 125 N -2.48 0.83 -1.78 4.02 2.20 0.38 -4.76 119.74 118.15 2krr s LYS 125 Ca -0.06 -0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.38 2krr s LYS 125 Cb -0.02 -0.80 0.00 0.00 -1.51 0.00 0.00 37.83 35.50 2krr s LYS 125 CO -0.04 0.00 0.00 -3.47 -0.36 0.00 0.00 175.35 171.48 2krr n ASP 126 N 3.68 -5.06 0.00 1.43 2.03 -1.26 -1.53 116.55 115.85 2krr n ASP 126 Ca -0.22 0.42 0.00 0.00 0.52 0.00 0.00 54.79 55.51 2krr n ASP 126 Cb 0.53 -4.04 0.00 0.00 -0.72 0.00 0.00 41.12 36.89 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 -0.86 0.62 3.02 0.27 0.00 -1.26 -5.06 105.19 101.92 2krr n GLY 127 Ca -0.17 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.46 1.79 0.90 1.61 -0.14 -0.58 -5.06 119.74 116.80 2krr s LYS 128 Ca 0.00 -0.43 -0.10 0.00 -1.36 0.00 0.00 55.97 54.08 2krr s LYS 128 Cb 0.00 -1.50 0.13 0.00 -1.68 0.00 0.00 37.83 34.78 2krr s LYS 128 CO 0.00 -0.00 1.14 0.45 -0.76 0.00 0.00 175.35 176.17 2krr s SER 129 N 0.78 3.12 -0.02 2.83 0.15 -1.18 -0.47 113.70 118.91 2krr s SER 129 Ca -0.12 2.12 0.18 0.00 0.70 0.00 0.00 55.95 58.82 2krr s SER 129 Cb -0.16 -2.55 -0.25 0.00 -1.71 0.00 0.00 66.02 61.35 2krr s SER 129 CO 0.02 -2.96 0.49 0.29 1.20 0.00 0.00 173.24 172.28 2krr n LYS 130 N -4.14 0.77 0.00 5.44 4.76 -0.53 -4.78 118.16 119.68 2krr n LYS 130 Ca 0.11 -0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2krr n LYS 130 Cb 0.52 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 32.32 2krr n LYS 130 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2krr n GLY 131 N 1.47 0.81 3.34 0.72 0.00 -1.26 -5.05 105.19 105.21 2krr n GLY 131 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 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 1.05 -0.18 -0.61 -4.36 -1.26 -2.81 121.20 111.02 2krr s ILE 132 Ca 0.00 -2.03 -0.07 0.00 -0.26 0.00 0.00 60.65 58.29 2krr s ILE 132 Cb 0.00 -2.40 0.08 0.00 1.25 0.00 0.00 42.46 41.39 2krr s ILE 132 CO 0.00 -0.28 0.40 0.00 0.24 0.00 0.00 174.94 175.30 2krr s ALA 133 N -3.41 -1.07 -0.09 2.27 0.00 -0.97 -3.75 121.76 114.73 2krr s ALA 133 Ca 0.30 1.45 -0.15 0.00 0.00 0.00 0.00 51.96 53.56 2krr s ALA 133 Cb 0.06 -1.20 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 2krr s ALA 133 CO 0.10 -0.63 0.37 0.71 0.00 0.00 0.00 175.76 176.30 2krr s TYR 134 N 2.32 3.58 -0.04 0.00 2.02 0.63 0.32 117.35 126.17 2krr s TYR 134 Ca -0.03 0.81 0.02 0.00 -0.37 0.00 0.00 57.07 57.50 2krr s TYR 134 Cb -0.11 -2.35 0.01 0.00 -0.40 0.00 0.00 41.96 39.10 2krr s TYR 134 CO -0.12 0.39 -0.11 0.96 -1.57 0.00 0.00 175.55 175.11 2krr s ILE 135 N -0.13 0.95 -0.44 2.71 -0.00 -0.24 0.17 121.20 124.23 2krr s ILE 135 Ca 0.21 -0.42 -0.11 0.00 -0.00 0.00 0.00 60.65 60.34 2krr s ILE 135 Cb -0.15 -0.86 0.08 0.00 -0.00 0.00 0.00 42.46 41.53 2krr s ILE 135 CO 0.09 0.30 0.31 -0.70 -0.00 0.00 0.00 174.94 174.93 2krr s GLU 136 N 0.41 2.71 0.81 0.37 2.12 -0.96 -0.02 118.70 124.14 2krr s GLU 136 Ca -0.08 -1.45 -0.11 0.00 0.36 0.00 0.00 54.97 53.69 2krr s GLU 136 Cb -0.12 -3.89 0.10 0.00 0.26 0.00 0.00 34.13 30.47 2krr s GLU 136 CO 0.02 -0.99 1.17 -0.06 -0.54 0.00 0.00 175.26 174.85 2krr s PHE 137 N 1.48 2.68 0.27 5.30 0.40 -1.06 -1.45 117.98 125.60 2krr s PHE 137 Ca 0.03 0.59 0.09 0.00 -0.60 0.00 0.00 56.93 57.04 2krr s PHE 137 Cb -0.24 -3.53 0.33 0.00 0.51 0.00 0.00 43.02 40.10 2krr s PHE 137 CO 0.03 -1.85 1.60 0.87 0.70 0.00 0.00 175.22 176.58 2krr h LYS 138 N -1.05 0.05 -2.11 0.44 6.56 -1.94 -3.45 116.57 115.08 2krr h LYS 138 Ca -0.45 -0.04 -0.06 0.00 -1.06 0.00 0.00 60.65 59.04 2krr h LYS 138 Cb 1.31 0.01 -0.18 0.00 -0.57 0.00 0.00 32.23 32.79 2krr h LYS 138 CO 0.60 0.65 0.18 -0.08 -2.06 0.00 0.00 179.45 178.73 2krr s THR 139 N -3.65 0.00 0.58 -0.16 -1.32 -1.26 -5.02 115.64 104.81 2krr s THR 139 Ca -0.02 -0.02 0.28 0.00 -1.21 0.00 0.00 61.69 60.72 2krr s THR 139 Cb 0.13 -0.99 0.37 0.00 -1.51 0.00 0.00 72.50 70.50 2krr s THR 139 CO 0.77 -0.01 2.01 -0.08 -2.21 0.00 0.00 174.62 175.10 2krr h GLU 140 N 2.94 0.00 -0.24 7.08 4.81 -1.88 0.98 114.58 128.27 2krr h GLU 140 Ca -0.28 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.78 2krr h GLU 140 Cb 1.16 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 2krr h GLU 140 CO 0.39 0.00 -0.57 0.00 -0.73 0.00 0.00 179.01 178.10 2krr h ALA 141 N 1.66 0.55 0.00 2.92 0.00 -1.95 0.79 119.26 123.23 2krr h ALA 141 Ca 0.16 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 2krr h ALA 141 Cb 0.82 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2krr h ALA 141 CO -0.00 0.69 -0.56 -0.44 0.00 0.00 0.00 179.25 178.93 2krr h ASP 142 N 0.56 0.00 0.00 0.00 5.19 -1.32 -3.04 116.42 117.82 2krr h ASP 142 Ca 0.01 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2krr h ASP 142 Cb 1.15 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.66 2krr h ASP 142 CO 0.12 0.37 -0.20 0.00 -3.12 0.00 0.00 179.24 176.41 2krr h ALA 143 N 1.63 0.01 -0.16 3.45 0.00 -0.90 -1.71 119.26 121.58 2krr h ALA 143 Ca -0.03 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.72 2krr h ALA 143 Cb 1.30 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2krr h ALA 143 CO 0.04 0.19 0.19 1.05 0.00 0.00 0.00 179.25 180.72 2krr h GLU 144 N -1.00 0.00 0.00 0.00 4.11 -1.01 -2.01 114.58 114.67 2krr h GLU 144 Ca -0.01 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.29 2krr h GLU 144 Cb 0.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2krr h GLU 144 CO -0.00 0.00 -0.74 -0.22 0.07 0.00 0.00 179.01 178.11 2krr h LYS 145 N 0.00 0.00 -0.94 1.06 3.64 -1.66 -3.35 116.57 115.32 2krr h LYS 145 Ca 0.08 0.00 0.27 0.00 -1.27 0.00 0.00 60.65 59.73 2krr h LYS 145 Cb 0.47 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 2krr h LYS 145 CO -0.00 0.89 0.67 1.15 -2.27 0.00 0.00 179.45 179.89 2krr h THR 146 N -1.00 0.54 -0.46 1.00 2.02 -0.84 0.77 112.91 114.93 2krr h THR 146 Ca -0.20 -0.01 0.03 0.00 0.77 0.00 0.00 66.41 67.00 2krr h THR 146 Cb 1.10 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 2krr h THR 146 CO -0.12 0.00 0.26 0.15 0.37 0.00 0.00 175.52 176.18 2krr h PHE 147 N 0.02 0.48 0.00 3.16 3.57 -1.51 0.49 116.94 123.15 2krr h PHE 147 Ca 0.45 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.97 2krr h PHE 147 Cb 1.77 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.36 2krr h PHE 147 CO -0.00 0.26 -0.24 0.93 -2.23 0.00 0.00 178.31 177.03 2krr h GLU 148 N 0.51 0.00 0.00 1.11 5.08 -1.07 0.25 114.58 120.46 2krr h GLU 148 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2krr h GLU 148 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2krr h GLU 148 CO -0.10 0.00 -0.64 0.93 -1.00 0.00 0.00 179.01 178.20 2krr h GLU 149 N 0.00 0.00 0.00 2.33 4.39 -0.43 -3.37 114.58 117.50 2krr h GLU 149 Ca 0.00 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 2krr h GLU 149 Cb 0.91 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.54 2krr h GLU 149 CO 0.00 0.00 -1.50 1.63 -1.16 0.00 0.00 179.01 177.98 2krr n LYS 150 N -2.36 2.21 -1.53 2.33 4.01 0.17 -5.03 118.16 117.95 2krr n LYS 150 Ca 0.03 0.01 -0.51 0.00 -0.51 0.00 0.00 58.31 57.33 2krr n LYS 150 Cb 0.48 -1.18 -0.05 0.00 -0.51 0.00 0.00 35.03 33.77 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 -2.39 0.71 0.00 1.97 -0.06 0.87 -3.26 117.38 115.23 2krr n GLN 151 Ca -0.13 0.25 0.00 0.00 -2.00 0.00 0.00 57.00 55.13 2krr n GLN 151 Cb 0.72 -1.65 0.00 0.00 -4.06 0.00 0.00 30.24 25.25 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 1.88 1.09 3.90 1.69 0.00 -1.26 -4.96 105.19 107.53 2krr n GLY 152 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 3.88 -0.08 2.61 -1.32 -1.20 -5.03 115.64 112.50 2krr s THR 153 Ca 0.00 0.20 0.03 0.00 -1.21 0.00 0.00 61.69 60.72 2krr s THR 153 Cb 0.00 -3.55 0.00 0.00 -1.51 0.00 0.00 72.50 67.44 2krr s THR 153 CO 0.00 -0.61 -0.19 -1.61 -2.21 0.00 0.00 174.62 170.00 2krr s GLU 154 N -5.05 2.41 -0.04 7.08 2.02 -1.26 -3.18 118.70 120.68 2krr s GLU 154 Ca 0.54 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 54.86 2krr s GLU 154 Cb -0.11 -1.89 0.02 0.00 0.10 0.00 0.00 34.13 32.25 2krr s GLU 154 CO 0.47 0.14 -0.06 0.42 0.02 0.00 0.00 175.26 176.25 2krr s ILE 155 N 0.41 0.66 -1.51 -1.63 1.09 0.13 -4.76 121.20 115.58 2krr s ILE 155 Ca -0.15 -0.21 0.00 0.00 -1.10 0.00 0.00 60.65 59.19 2krr s ILE 155 Cb -0.16 -0.65 0.00 0.00 -1.06 0.00 0.00 42.46 40.59 2krr s ILE 155 CO 0.06 0.24 0.00 -0.67 -0.10 0.00 0.00 174.94 174.48 2krr n ASP 156 N 3.88 -4.77 0.00 3.58 2.03 -1.26 -1.88 116.55 118.13 2krr n ASP 156 Ca -0.24 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2krr n ASP 156 Cb 0.51 -3.73 0.00 0.00 -0.72 0.00 0.00 41.12 37.18 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 -1.06 3.14 2.69 0.27 0.00 -1.26 -5.02 105.19 103.95 2krr n GLY 157 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 2krr n GLY 157 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2krr n ARG 158 N -1.30 0.57 -3.99 1.61 1.85 -0.79 -5.06 116.66 109.56 2krr n ARG 158 Ca 0.00 -2.08 -0.34 0.00 -1.00 0.00 0.00 57.85 54.43 2krr n ARG 158 Cb 0.00 -0.24 -0.15 0.00 -1.05 0.00 0.00 32.46 31.02 2krr n ARG 158 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2krr s SER 159 N -3.56 3.92 0.18 2.89 0.01 -1.26 0.21 113.70 116.09 2krr s SER 159 Ca 0.43 -0.63 -0.18 0.00 1.31 0.00 0.00 55.95 56.88 2krr s SER 159 Cb -0.03 -1.63 -0.08 0.00 0.21 0.00 0.00 66.02 64.49 2krr s SER 159 CO 0.28 -0.05 0.66 0.27 0.41 0.00 0.00 173.24 174.81 2krr s ILE 160 N 1.37 4.66 0.24 1.44 -4.36 -1.19 -4.90 121.20 118.46 2krr s ILE 160 Ca 0.04 1.16 0.11 0.00 -0.26 0.00 0.00 60.65 61.69 2krr s ILE 160 Cb -0.15 -3.84 -0.05 0.00 1.25 0.00 0.00 42.46 39.68 2krr s ILE 160 CO -0.07 0.27 -0.15 -0.44 0.24 0.00 0.00 174.94 174.80 2krr s SER 161 N -1.59 3.89 0.08 4.36 0.01 -0.99 -4.47 113.70 115.00 2krr s SER 161 Ca 0.40 -0.83 0.08 0.00 1.31 0.00 0.00 55.95 56.90 2krr s SER 161 Cb -0.17 -0.49 -0.03 0.00 0.21 0.00 0.00 66.02 65.54 2krr s SER 161 CO 0.20 0.06 -0.21 -0.76 0.41 0.00 0.00 173.24 172.95 2krr s LEU 162 N -3.26 2.26 -0.15 2.44 1.43 -1.26 -1.40 118.68 118.73 2krr s LEU 162 Ca 0.28 -0.63 -0.07 0.00 -1.03 0.00 0.00 54.13 52.67 2krr s LEU 162 Cb -0.07 -0.90 0.06 0.00 0.03 0.00 0.00 46.19 45.32 2krr s LEU 162 CO 0.15 0.09 0.34 -0.31 0.23 0.00 0.00 176.35 176.85 2krr s TYR 163 N -1.05 -0.54 0.45 0.29 2.02 0.11 -4.98 117.35 113.65 2krr s TYR 163 Ca 0.07 1.15 -0.23 0.00 -0.37 0.00 0.00 57.07 57.69 2krr s TYR 163 Cb -0.10 0.16 -0.08 0.00 -0.40 0.00 0.00 41.96 41.54 2krr s TYR 163 CO 0.03 -0.35 1.10 1.52 -1.57 0.00 0.00 175.55 176.28 2krr s TYR 164 N 1.83 3.03 -0.30 2.71 -0.85 -1.26 -0.59 117.35 121.93 2krr s TYR 164 Ca -0.06 1.58 -0.11 0.00 -0.52 0.00 0.00 57.07 57.97 2krr s TYR 164 Cb -0.10 -3.22 0.16 0.00 0.38 0.00 0.00 41.96 39.18 2krr s TYR 164 CO -0.11 -1.06 0.84 -0.08 -1.52 0.00 0.00 175.55 173.62 2krr s THR 165 N -1.68 -0.70 -0.03 -3.49 -1.32 -1.22 -4.86 115.64 102.34 2krr s THR 165 Ca 0.63 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 61.12 2krr s THR 165 Cb -0.24 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.72 2krr s THR 165 CO 0.29 0.00 -0.01 0.61 -2.21 0.00 0.00 174.62 173.30 2krr n GLY 166 N 5.27 -0.10 3.55 6.08 0.00 -1.26 -4.69 105.19 114.04 2krr n GLY 166 Ca -0.08 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.08 0.66 0.90 1.61 -1.05 -1.26 -4.68 118.70 112.80 2krr s GLU 167 Ca -0.03 -0.00 -0.12 0.00 -0.15 0.00 0.00 54.97 54.67 2krr s GLU 167 Cb 0.01 0.31 0.13 0.00 -0.44 0.00 0.00 34.13 34.14 2krr s GLU 167 CO 0.11 -0.24 1.09 -1.25 0.95 0.00 0.00 175.26 175.92 2krr s PRO 168 N -1.81 1.23 0.27 -4.83 0.04 -1.26 -5.05 135.00 123.59 2krr s PRO 168 Ca 0.01 0.81 -0.02 0.00 0.04 0.00 0.00 61.00 61.83 2krr s PRO 168 Cb -0.01 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.68 2krr s PRO 168 CO -0.02 -2.25 0.49 0.15 0.04 0.00 0.00 177.00 175.41 2krr s LYS 169 N -4.94 3.57 2.98 4.56 1.02 -1.26 -4.92 119.74 120.74 2krr s LYS 169 Ca 0.63 -0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.45 2krr s LYS 169 Cb -0.18 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.41 2krr s LYS 169 CO 0.57 0.27 0.00 0.41 -0.92 0.00 0.00 175.35 175.68 2krr n GLY 170 N -0.98 0.57 3.97 -3.33 0.00 -1.26 -4.93 105.19 99.23 2krr n GLY 170 Ca -0.03 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 2krr n GLY 170 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2krr n GLU 171 N 8.07 -0.79 0.00 1.61 0.28 -1.26 -1.00 120.64 127.55 2krr n GLU 171 Ca 0.00 0.11 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 2krr n GLU 171 Cb 0.00 -3.69 0.00 0.00 1.43 0.00 0.00 31.44 29.18 2krr n GLU 171 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2krr n GLY 172 N -1.15 2.82 0.23 -1.84 0.00 -1.26 -4.99 105.19 98.99 2krr n GLY 172 Ca 0.04 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.42 0.00 0.99 3.38 -1.44 -3.55 115.31 114.27 2krr h LEU 173 Ca 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2krr h LEU 173 Cb 0.00 0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2krr h LEU 173 CO 0.00 -0.00 0.00 1.21 0.09 0.00 0.00 178.44 179.74