#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 1.76 0.07 2.61 2.01 -1.26 -5.03 115.64 115.81 2krr s THR 2 Ca 0.00 -1.17 -0.35 0.00 0.31 0.00 0.00 61.69 60.47 2krr s THR 2 Cb 0.00 -1.86 -0.18 0.00 0.01 0.00 0.00 72.50 70.47 2krr s THR 2 CO 0.00 0.11 1.54 -0.33 -0.69 0.00 0.00 174.62 175.25 2krr h GLU 3 N 7.92 -1.09 -7.35 4.92 3.07 -2.05 -3.44 114.58 116.56 2krr h GLU 3 Ca -0.25 0.07 -0.46 0.00 -0.50 0.00 0.00 59.36 58.22 2krr h GLU 3 Cb 1.08 0.25 0.16 0.00 -0.84 0.00 0.00 28.75 29.40 2krr h GLU 3 CO 0.47 -0.73 0.21 -1.25 -1.40 0.00 0.00 179.01 176.31 2krr s PRO 4 N -5.79 0.65 -0.05 2.33 0.04 -1.26 -5.02 135.00 125.91 2krr s PRO 4 Ca -0.18 0.60 0.03 0.00 0.04 0.00 0.00 61.00 61.49 2krr s PRO 4 Cb 0.03 -1.76 -0.05 0.00 0.04 0.00 0.00 34.50 32.76 2krr s PRO 4 CO 0.57 -2.60 -0.00 -2.37 0.04 0.00 0.00 177.00 172.64 2krr n THR 5 N -4.10 0.32 -4.30 1.26 5.66 -1.26 -5.05 114.28 106.82 2krr n THR 5 Ca 0.06 -0.18 -0.23 0.00 -3.05 0.00 0.00 64.05 60.65 2krr n THR 5 Cb 0.57 -0.83 -0.07 0.00 -1.55 0.00 0.00 70.33 68.44 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 -2.11 3.34 -2.10 1.09 -4.23 -1.26 -5.01 115.64 105.35 2krr s THR 6 Ca -0.04 -1.93 0.27 0.00 -1.18 0.00 0.00 61.69 58.80 2krr s THR 6 Cb 0.02 -2.82 0.71 0.00 1.34 0.00 0.00 72.50 71.74 2krr s THR 6 CO 0.18 -0.36 1.95 0.00 -0.54 0.00 0.00 174.62 175.84 2krr n ALA 7 N -0.90 2.63 -3.38 3.99 0.00 -1.26 -4.47 120.51 117.13 2krr n ALA 7 Ca -0.06 -0.24 -0.44 0.00 0.00 0.00 0.00 53.44 52.70 2krr n ALA 7 Cb 0.59 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.98 4.15 0.20 0.00 0.08 -1.26 -4.97 117.98 114.20 2krr s PHE 8 Ca 0.39 -2.65 0.08 0.00 0.12 0.00 0.00 56.93 54.87 2krr s PHE 8 Cb 0.19 -3.75 -0.05 0.00 -0.57 0.00 0.00 43.02 38.85 2krr s PHE 8 CO 0.31 -0.93 -0.16 -0.80 -0.10 0.00 0.00 175.22 173.55 2krr s ASN 9 N 1.22 2.67 0.04 1.36 0.02 -1.26 -0.84 114.94 118.14 2krr s ASN 9 Ca 0.28 -0.98 -0.00 0.00 -1.02 0.00 0.00 52.86 51.14 2krr s ASN 9 Cb -0.10 -0.15 -0.03 0.00 0.02 0.00 0.00 41.25 40.99 2krr s ASN 9 CO -0.09 -0.12 -0.03 -1.48 0.02 0.00 0.00 177.10 175.40 2krr s LEU 10 N -3.18 2.37 -0.33 0.60 0.05 -0.38 -4.87 118.68 112.94 2krr s LEU 10 Ca 0.21 -0.75 -0.20 0.00 0.05 0.00 0.00 54.13 53.44 2krr s LEU 10 Cb -0.02 0.14 -0.01 0.00 -2.05 0.00 0.00 46.19 44.26 2krr s LEU 10 CO 0.07 -0.45 0.60 0.12 -0.55 0.00 0.00 176.35 176.15 2krr s PHE 11 N -2.70 3.19 0.20 3.48 2.19 -0.09 -1.39 117.98 122.87 2krr s PHE 11 Ca -0.04 0.44 0.05 0.00 0.33 0.00 0.00 56.93 57.70 2krr s PHE 11 Cb -0.01 -3.01 -0.03 0.00 -1.31 0.00 0.00 43.02 38.65 2krr s PHE 11 CO -0.05 -0.52 0.28 0.14 1.83 0.00 0.00 175.22 176.89 2krr s VAL 12 N 2.59 5.03 0.24 3.12 -7.23 -0.12 0.75 120.40 124.78 2krr s VAL 12 Ca 0.24 -0.98 -0.06 0.00 -1.81 0.00 0.00 61.98 59.36 2krr s VAL 12 Cb -0.15 -3.66 -0.02 0.00 0.56 0.00 0.00 36.38 33.11 2krr s VAL 12 CO 0.13 -0.23 0.33 -0.83 -0.31 0.00 0.00 175.10 174.19 2krr s GLY 13 N -3.59 1.05 -1.13 2.32 0.00 0.91 -1.47 107.32 105.40 2krr s GLY 13 Ca 0.34 -1.31 -0.09 0.00 0.00 0.00 0.00 44.72 43.65 2krr s GLY 13 CO 0.27 -1.01 0.85 -2.01 0.00 0.00 0.00 173.10 171.21 2krr n ASN 14 N -0.46 -4.98 -1.82 1.64 5.15 0.90 -0.65 115.26 115.05 2krr n ASN 14 Ca 0.00 -0.81 0.08 0.00 -0.60 0.00 0.00 54.58 53.25 2krr n ASN 14 Cb 0.64 -4.48 0.40 0.00 -0.53 0.00 0.00 39.78 35.81 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 -3.76 5.52 -1.30 1.20 4.77 -0.42 -3.57 117.00 119.44 2krr n LEU 15 Ca -0.13 -2.83 0.00 0.00 -0.03 0.00 0.00 56.01 53.02 2krr n LEU 15 Cb 0.62 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2krr n LEU 15 CO 0.63 0.67 -0.33 -3.20 -1.33 0.00 0.00 177.39 173.83 2krr n ASN 16 N 0.72 -7.22 -3.76 -1.43 5.15 -1.26 -4.86 115.26 102.60 2krr n ASN 16 Ca 0.27 0.94 -0.35 0.00 -0.60 0.00 0.00 54.58 54.85 2krr n ASN 16 Cb 1.13 -3.24 -0.04 0.00 -0.53 0.00 0.00 39.78 37.11 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 0.18 3.12 0.00 1.20 -1.74 -1.23 -4.48 117.46 114.51 2krr n PHE 17 Ca 0.00 -3.46 0.00 0.00 -0.56 0.00 0.00 57.45 53.43 2krr n PHE 17 Cb 0.00 -0.94 0.00 0.00 1.52 0.00 0.00 39.48 40.06 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 1.23 0.00 -3.73 5.98 3.02 -1.26 -5.06 115.26 115.44 2krr n ASN 18 Ca 0.27 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.55 2krr n ASN 18 Cb 0.37 0.01 0.19 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 -1.62 -1.26 -1.67 3.52 4.01 -1.26 -5.07 118.16 114.81 2krr n LYS 19 Ca 0.00 -1.87 -0.29 0.00 -0.51 0.00 0.00 58.31 55.64 2krr n LYS 19 Cb 0.00 -1.26 0.13 0.00 -0.51 0.00 0.00 35.03 33.39 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 -5.40 3.64 0.04 4.39 0.01 -1.26 -4.94 113.70 110.18 2krr s SER 20 Ca 0.69 0.81 -0.32 0.00 1.31 0.00 0.00 55.95 58.43 2krr s SER 20 Cb -0.02 -1.27 -0.18 0.00 0.21 0.00 0.00 66.02 64.76 2krr s SER 20 CO 0.48 -2.45 1.37 0.00 0.41 0.00 0.00 173.24 173.05 2krr h ALA 21 N -1.43 -1.10 0.00 1.44 0.00 -1.97 -2.86 119.26 113.34 2krr h ALA 21 Ca -0.48 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2krr h ALA 21 Cb 1.32 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.53 2krr h ALA 21 CO 0.59 -1.05 0.00 -0.35 0.00 0.00 0.00 179.25 178.44 2krr n PRO 22 N -5.52 0.07 0.13 0.00 -0.04 -1.26 -2.14 135.00 126.24 2krr n PRO 22 Ca -0.14 0.22 0.12 0.00 -0.04 0.00 0.00 63.50 63.66 2krr n PRO 22 Cb 0.44 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.56 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 0.12 0.54 4.57 -1.88 -3.32 114.58 114.61 2krr h GLU 23 Ca 0.00 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.87 2krr h GLU 23 Cb 0.21 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 2krr h GLU 23 CO 0.00 0.00 -1.53 -0.07 -1.18 0.00 0.00 179.01 176.23 2krr h LEU 24 N 0.00 0.39 -0.73 1.64 4.07 -1.26 -3.35 115.31 116.07 2krr h LEU 24 Ca 0.00 -0.55 0.07 0.00 0.08 0.00 0.00 57.88 57.49 2krr h LEU 24 Cb 0.90 -0.13 -0.06 0.00 1.08 0.00 0.00 40.66 42.45 2krr h LEU 24 CO 0.00 1.46 0.41 0.11 -1.08 0.00 0.00 178.44 179.34 2krr h LYS 25 N 0.07 0.71 0.29 1.13 1.57 -1.65 -1.13 116.57 117.55 2krr h LYS 25 Ca -0.24 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 2krr h LYS 25 Cb 2.02 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 34.15 2krr h LYS 25 CO 0.16 0.47 -0.33 1.15 -0.57 0.00 0.00 179.45 180.33 2krr h THR 26 N 0.73 0.00 -0.37 -0.16 2.02 -1.69 -0.60 112.91 112.83 2krr h THR 26 Ca 0.34 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.59 2krr h THR 26 Cb 0.26 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.60 2krr h THR 26 CO -0.21 0.00 -0.05 1.23 0.37 0.00 0.00 175.52 176.86 2krr h GLY 27 N -0.63 0.32 0.09 2.16 0.00 -1.65 0.32 103.07 103.67 2krr h GLY 27 Ca -0.04 0.09 0.08 0.00 0.00 0.00 0.00 47.33 47.47 2krr h GLY 27 CO -0.06 -0.12 -0.15 -2.22 0.00 0.00 0.00 176.54 173.98 2krr h ILE 28 N 0.04 0.49 0.00 2.60 2.04 -1.06 0.18 117.51 121.80 2krr h ILE 28 Ca 0.18 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.04 2krr h ILE 28 Cb 0.27 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2krr h ILE 28 CO -0.35 0.00 0.00 0.77 0.00 0.00 0.00 178.15 178.57 2krr h SER 29 N -0.07 0.00 0.50 1.72 4.64 -0.53 -3.22 113.55 116.59 2krr h SER 29 Ca 0.20 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.49 2krr h SER 29 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2krr h SER 29 CO -0.46 0.00 -0.24 -0.78 -0.87 0.00 0.00 176.83 174.48 2krr h ASP 30 N 0.00 -0.57 -0.94 4.97 1.82 0.26 -2.58 116.42 119.38 2krr h ASP 30 Ca 0.00 -0.02 0.20 0.00 -0.39 0.00 0.00 57.03 56.82 2krr h ASP 30 Cb 0.63 0.15 -0.11 0.00 0.68 0.00 0.00 39.33 40.68 2krr h ASP 30 CO 0.00 -0.15 0.51 1.62 -1.61 0.00 0.00 179.24 179.61 2krr h VAL 31 N -1.14 0.63 -0.38 2.25 3.04 -1.27 0.25 116.25 119.63 2krr h VAL 31 Ca -0.07 -0.21 -0.04 0.00 -1.01 0.00 0.00 66.70 65.37 2krr h VAL 31 Cb 0.55 -0.04 -0.02 0.00 -2.01 0.00 0.00 31.29 29.78 2krr h VAL 31 CO 0.11 0.11 0.06 -0.26 -1.01 0.00 0.00 177.57 176.58 2krr h PHE 32 N 0.61 0.58 -0.28 3.17 0.04 -1.58 -2.21 116.94 117.27 2krr h PHE 32 Ca 0.56 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 61.26 2krr h PHE 32 Cb 0.93 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.89 2krr h PHE 32 CO -0.06 0.53 0.10 0.00 -0.60 0.00 0.00 178.31 178.28 2krr h ALA 33 N 1.51 1.65 0.00 2.45 0.00 -0.08 0.69 119.26 125.48 2krr h ALA 33 Ca 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2krr h ALA 33 Cb 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2krr h ALA 33 CO 0.00 0.28 -0.17 1.57 0.00 0.00 0.00 179.25 180.93 2krr h LYS 34 N 0.39 0.00 -0.81 0.00 2.10 -1.16 -2.97 116.57 114.12 2krr h LYS 34 Ca 0.10 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.57 2krr h LYS 34 Cb 0.11 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 31.33 2krr h LYS 34 CO -0.01 0.17 0.22 0.09 -2.00 0.00 0.00 179.45 177.92 2krr n ASN 35 N -3.23 4.29 -2.89 7.07 3.02 -0.46 -4.87 115.26 118.19 2krr n ASN 35 Ca 0.01 -2.97 -0.22 0.00 -0.03 0.00 0.00 54.58 51.37 2krr n ASN 35 Cb 0.48 -0.70 0.02 0.00 -0.61 0.00 0.00 39.78 38.97 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 -0.06 -5.91 -4.21 6.41 9.92 -1.12 -4.97 116.55 116.61 2krr n ASP 36 Ca 0.33 -0.22 -0.34 0.00 -0.53 0.00 0.00 54.79 54.03 2krr n ASP 36 Cb 1.19 -4.82 -0.15 0.00 -0.64 0.00 0.00 41.12 36.71 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 -6.51 2.90 -0.40 0.64 1.43 0.11 -5.02 118.68 111.82 2krr s LEU 37 Ca 0.23 -0.71 -0.15 0.00 -1.03 0.00 0.00 54.13 52.48 2krr s LEU 37 Cb -0.11 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.48 2krr s LEU 37 CO 0.29 -0.07 0.31 0.00 0.23 0.00 0.00 176.35 177.11 2krr s ALA 38 N 1.35 3.48 -0.00 4.21 0.00 -1.26 -3.20 121.76 126.34 2krr s ALA 38 Ca 0.03 -1.62 -0.12 0.00 0.00 0.00 0.00 51.96 50.25 2krr s ALA 38 Cb -0.15 -2.88 -0.05 0.00 0.00 0.00 0.00 23.12 20.04 2krr s ALA 38 CO -0.06 -1.39 0.36 0.14 0.00 0.00 0.00 175.76 174.81 2krr s VAL 39 N 1.77 5.13 0.05 0.00 -7.23 -1.26 -2.48 120.40 116.37 2krr s VAL 39 Ca 0.06 0.64 0.06 0.00 -1.81 0.00 0.00 61.98 60.93 2krr s VAL 39 Cb -0.18 -3.64 -0.23 0.00 0.56 0.00 0.00 36.38 32.88 2krr s VAL 39 CO 0.11 0.52 1.01 -0.37 -0.31 0.00 0.00 175.10 176.05 2krr h VAL 40 N 3.54 1.34 -1.00 1.32 -1.51 -1.15 -3.47 116.25 115.33 2krr h VAL 40 Ca -0.52 -3.08 0.26 0.00 -1.23 0.00 0.00 66.70 62.14 2krr h VAL 40 Cb 1.21 2.70 -0.28 0.00 -2.13 0.00 0.00 31.29 32.80 2krr h VAL 40 CO 0.62 0.80 1.00 -1.81 -1.23 0.00 0.00 177.57 176.95 2krr s ASP 41 N -6.59 -0.00 0.03 4.19 1.01 -1.21 -5.03 116.67 109.07 2krr s ASP 41 Ca -0.03 0.00 0.03 0.00 0.71 0.00 0.00 52.55 53.27 2krr s ASP 41 Cb 0.09 0.00 -0.02 0.00 1.01 0.00 0.00 42.92 44.00 2krr s ASP 41 CO 0.83 -0.00 -0.11 0.68 0.21 0.00 0.00 175.17 176.78 2krr s VAL 42 N -1.03 0.82 0.10 -1.27 -7.23 -1.26 0.07 120.40 110.61 2krr s VAL 42 Ca 0.10 -0.87 0.06 0.00 -1.81 0.00 0.00 61.98 59.46 2krr s VAL 42 Cb -0.01 -0.77 -0.04 0.00 0.56 0.00 0.00 36.38 36.12 2krr s VAL 42 CO -0.09 -0.08 -0.03 -0.60 -0.31 0.00 0.00 175.10 173.99 2krr s ARG 43 N -1.06 2.39 -0.04 4.82 6.06 0.27 -4.94 118.95 126.44 2krr s ARG 43 Ca -0.01 -0.93 0.06 0.00 -2.50 0.00 0.00 55.73 52.35 2krr s ARG 43 Cb -0.07 -2.44 -0.01 0.00 0.06 0.00 0.00 34.95 32.48 2krr s ARG 43 CO 0.01 0.52 -0.23 0.42 -2.50 0.00 0.00 175.30 173.52 2krr s ILE 44 N -1.32 1.86 1.01 4.11 -1.09 -1.26 -0.19 121.20 124.32 2krr s ILE 44 Ca 0.24 -0.98 -0.17 0.00 -2.23 0.00 0.00 60.65 57.52 2krr s ILE 44 Cb -0.11 -1.56 0.25 0.00 -1.58 0.00 0.00 42.46 39.46 2krr s ILE 44 CO 0.17 0.52 0.86 0.61 -1.23 0.00 0.00 174.94 175.87 2krr n GLY 45 N 2.78 -2.83 0.10 6.18 0.00 0.91 -4.94 105.19 107.39 2krr n GLY 45 Ca -0.17 -1.46 -0.15 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 0.25 0.00 1.61 -0.00 -2.01 -3.21 114.93 111.57 2krr h MET 46 Ca -0.33 -0.43 0.00 0.00 -0.00 0.00 0.00 59.70 58.94 2krr h MET 46 Cb 1.02 0.16 0.00 0.00 -0.00 0.00 0.00 31.60 32.78 2krr h MET 46 CO 0.21 1.20 0.00 -2.37 -0.00 0.00 0.00 176.91 175.96 2krr n THR 47 N -3.52 0.71 -1.92 -0.10 5.66 -1.26 -4.88 114.28 108.98 2krr n THR 47 Ca -0.08 0.09 -0.17 0.00 -3.05 0.00 0.00 64.05 60.84 2krr n THR 47 Cb 1.02 -0.91 -0.04 0.00 -1.55 0.00 0.00 70.33 68.84 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 -1.99 -1.29 -0.00 1.09 5.12 -1.21 -4.80 116.66 113.57 2krr n ARG 48 Ca 0.04 0.97 0.03 0.00 -1.93 0.00 0.00 57.85 56.96 2krr n ARG 48 Cb 0.28 -5.32 -0.04 0.00 -1.16 0.00 0.00 32.46 26.22 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 -2.58 3.56 -3.98 5.56 0.00 -1.26 -3.57 118.16 115.89 2krr n LYS 49 Ca -0.19 -0.02 -0.11 0.00 0.00 0.00 0.00 58.31 57.99 2krr n LYS 49 Cb 0.61 -0.89 -0.03 0.00 0.00 0.00 0.00 35.03 34.73 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 -1.81 0.57 -0.55 5.64 -0.71 -1.26 -0.07 117.98 119.79 2krr s PHE 50 Ca 0.01 -0.96 0.00 0.00 -1.04 0.00 0.00 56.93 54.93 2krr s PHE 50 Cb 0.04 0.28 0.00 0.00 -1.21 0.00 0.00 43.02 42.13 2krr s PHE 50 CO 0.24 -1.23 0.00 0.41 -1.34 0.00 0.00 175.22 173.30 2krr n GLY 51 N -0.50 -0.82 3.17 1.99 0.00 -0.54 -0.06 105.19 108.42 2krr n GLY 51 Ca -0.02 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.03 1.61 1.51 0.74 -0.94 117.35 116.71 2krr s TYR 52 Ca 0.00 -0.93 -0.01 0.00 -1.01 0.00 0.00 57.07 55.13 2krr s TYR 52 Cb 0.00 -0.27 0.03 0.00 -0.11 0.00 0.00 41.96 41.61 2krr s TYR 52 CO 0.00 -0.50 0.06 0.08 -1.11 0.00 0.00 175.55 174.08 2krr s VAL 53 N -3.94 -0.06 -0.15 0.71 1.01 -0.49 -0.57 120.40 116.92 2krr s VAL 53 Ca 0.12 0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.27 2krr s VAL 53 Cb 0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.28 2krr s VAL 53 CO -0.06 0.09 0.02 -1.81 0.00 0.00 0.00 175.10 173.33 2krr s ASP 54 N 1.17 5.28 0.21 3.32 1.01 0.11 -1.25 116.67 126.53 2krr s ASP 54 Ca -0.08 0.04 0.07 0.00 0.71 0.00 0.00 52.55 53.30 2krr s ASP 54 Cb -0.13 -1.78 -0.04 0.00 1.01 0.00 0.00 42.92 41.98 2krr s ASP 54 CO -0.04 0.24 0.06 -0.36 0.21 0.00 0.00 175.17 175.28 2krr s PHE 55 N -0.01 2.91 0.17 4.23 0.40 -0.02 -0.64 117.98 125.02 2krr s PHE 55 Ca 0.04 -0.13 -0.17 0.00 -0.60 0.00 0.00 56.93 56.06 2krr s PHE 55 Cb -0.13 -1.36 0.12 0.00 0.51 0.00 0.00 43.02 42.16 2krr s PHE 55 CO 0.02 0.54 1.66 0.93 0.70 0.00 0.00 175.22 179.07 2krr h GLU 56 N 2.20 -0.02 -4.41 0.44 5.08 -1.80 -3.42 114.58 112.66 2krr h GLU 56 Ca -0.47 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.72 2krr h GLU 56 Cb 1.22 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.33 2krr h GLU 56 CO 0.60 -0.01 -0.65 -1.12 -1.00 0.00 0.00 179.01 176.82 2krr s SER 57 N -5.21 0.37 0.56 1.42 0.01 -1.26 -4.95 113.70 104.65 2krr s SER 57 Ca -0.14 -1.17 0.29 0.00 1.31 0.00 0.00 55.95 56.24 2krr s SER 57 Cb 0.15 0.27 1.47 0.00 0.21 0.00 0.00 66.02 68.12 2krr s SER 57 CO 0.71 -0.70 1.93 0.00 0.41 0.00 0.00 173.24 175.59 2krr h ALA 58 N 2.91 2.43 0.41 1.44 0.00 -1.92 -1.87 119.26 122.66 2krr h ALA 58 Ca -0.35 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2krr h ALA 58 Cb 1.19 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2krr h ALA 58 CO 0.60 -0.79 -0.36 0.93 0.00 0.00 0.00 179.25 179.63 2krr h GLU 59 N 0.00 -0.76 -0.88 0.00 5.08 -1.97 0.21 114.58 116.26 2krr h GLU 59 Ca 0.28 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2krr h GLU 59 Cb 1.25 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.63 2krr h GLU 59 CO -0.00 -0.50 0.57 -0.44 -1.00 0.00 0.00 179.01 177.63 2krr h ASP 60 N -0.79 1.03 0.36 1.42 3.32 -1.74 -0.03 116.42 119.99 2krr h ASP 60 Ca -0.04 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 2krr h ASP 60 Cb 0.69 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2krr h ASP 60 CO -0.03 0.76 -0.17 0.25 -1.72 0.00 0.00 179.24 178.32 2krr h LEU 61 N 1.20 -0.41 -1.06 1.55 6.46 -1.21 -2.48 115.31 119.36 2krr h LEU 61 Ca 0.32 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 58.08 2krr h LEU 61 Cb -0.11 0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 39.89 2krr h LEU 61 CO -0.07 -0.28 0.49 -0.33 -0.62 0.00 0.00 178.44 177.63 2krr h GLU 62 N -0.50 1.13 -0.75 1.25 5.08 -0.41 -2.49 114.58 117.90 2krr h GLU 62 Ca -0.05 -0.11 0.10 0.00 -1.00 0.00 0.00 59.36 58.31 2krr h GLU 62 Cb 0.38 -0.23 -0.08 0.00 0.50 0.00 0.00 28.75 29.32 2krr h GLU 62 CO 0.08 0.80 0.37 0.87 -1.00 0.00 0.00 179.01 180.14 2krr h LYS 63 N 1.15 0.59 0.00 2.33 1.79 -0.74 0.24 116.57 121.93 2krr h LYS 63 Ca 0.30 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 2krr h LYS 63 Cb -0.03 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.49 2krr h LYS 63 CO -0.05 0.39 0.00 0.00 -1.08 0.00 0.00 179.45 178.71 2krr h ALA 64 N 1.46 1.00 -0.00 3.86 0.00 -0.99 0.29 119.26 124.88 2krr h ALA 64 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2krr h ALA 64 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2krr h ALA 64 CO -0.29 0.00 -0.31 1.28 0.00 0.00 0.00 179.25 179.93 2krr n LEU 65 N -2.89 0.49 -0.04 0.00 4.77 0.81 -4.31 117.00 115.83 2krr n LEU 65 Ca 0.00 0.05 -0.08 0.00 -0.03 0.00 0.00 56.01 55.95 2krr n LEU 65 Cb 0.23 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2krr n LEU 65 CO 0.24 0.11 -0.76 -1.84 -1.33 0.00 0.00 177.39 173.80 2krr n GLU 66 N -1.28 0.16 -0.49 3.23 0.28 -0.62 -5.06 120.64 116.86 2krr n GLU 66 Ca 0.08 0.07 -0.30 0.00 -0.16 0.00 0.00 57.16 56.85 2krr n GLU 66 Cb 0.33 -0.80 0.27 0.00 1.43 0.00 0.00 31.44 32.67 2krr n GLU 66 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 2krr s LEU 67 N -6.32 -0.45 0.00 -1.84 0.05 0.93 -5.07 118.68 105.97 2krr s LEU 67 Ca -0.11 1.01 0.05 0.00 0.05 0.00 0.00 54.13 55.13 2krr s LEU 67 Cb 0.04 -2.59 -0.02 0.00 -2.05 0.00 0.00 46.19 41.57 2krr s LEU 67 CO 0.14 -4.95 0.19 1.07 -0.55 0.00 0.00 176.35 172.24 2krr n THR 68 N -5.37 0.00 -1.84 5.48 5.66 -1.26 -4.90 114.28 112.05 2krr n THR 68 Ca 0.10 -1.73 0.00 0.00 -3.05 0.00 0.00 64.05 59.36 2krr n THR 68 Cb 0.58 0.84 0.00 0.00 -1.55 0.00 0.00 70.33 70.20 2krr n THR 68 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2krr n GLY 69 N -0.39 0.54 3.19 1.09 0.00 -1.26 -5.06 105.19 103.30 2krr n GLY 69 Ca 0.04 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.60 3.37 0.02 0.99 1.43 -1.26 -5.00 118.68 116.62 2krr s LEU 70 Ca 0.00 -0.98 -0.10 0.00 -1.03 0.00 0.00 54.13 52.02 2krr s LEU 70 Cb 0.00 -1.67 0.01 0.00 0.03 0.00 0.00 46.19 44.55 2krr s LEU 70 CO 0.00 -0.16 0.21 -1.59 0.23 0.00 0.00 176.35 175.04 2krr s LYS 71 N 1.30 0.64 -0.07 1.70 0.00 -1.26 -2.63 119.74 119.43 2krr s LYS 71 Ca -0.01 -0.46 -0.03 0.00 0.00 0.00 0.00 55.97 55.47 2krr s LYS 71 Cb -0.17 0.27 0.04 0.00 0.00 0.00 0.00 37.83 37.96 2krr s LYS 71 CO -0.04 -0.18 0.14 0.08 0.00 0.00 0.00 175.35 175.36 2krr s VAL 72 N -1.96 -0.09 -1.60 1.79 1.01 0.66 -4.75 120.40 115.45 2krr s VAL 72 Ca -0.10 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 2krr s VAL 72 Cb -0.04 -0.24 0.01 0.00 0.00 0.00 0.00 36.38 36.11 2krr s VAL 72 CO -0.00 0.09 0.36 0.49 0.00 0.00 0.00 175.10 176.03 2krr n PHE 73 N 4.44 -1.60 0.00 5.22 3.72 -1.26 -2.05 117.46 125.93 2krr n PHE 73 Ca -0.22 0.31 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 2krr n PHE 73 Cb 0.51 -4.15 0.00 0.00 -0.94 0.00 0.00 39.48 34.90 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 -1.29 2.25 3.72 1.37 0.00 -1.26 -4.99 105.19 104.98 2krr n GLY 74 Ca -0.16 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 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 7.11 -0.42 1.61 0.01 -0.87 -4.98 114.94 117.41 2krr s ASN 75 Ca 0.00 2.00 -0.29 0.00 -0.71 0.00 0.00 52.86 53.86 2krr s ASN 75 Cb 0.00 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.10 2krr s ASN 75 CO 0.00 -0.43 1.22 -0.70 -1.51 0.00 0.00 177.10 175.67 2krr s GLU 76 N 0.91 3.76 1.02 -0.60 2.12 -1.26 -0.25 118.70 124.40 2krr s GLU 76 Ca 0.57 0.81 -0.12 0.00 0.36 0.00 0.00 54.97 56.59 2krr s GLU 76 Cb -0.29 -3.91 0.20 0.00 0.26 0.00 0.00 34.13 30.39 2krr s GLU 76 CO 0.30 -1.33 1.08 0.96 -0.54 0.00 0.00 175.26 175.72 2krr s ILE 77 N 4.57 2.22 -0.08 -3.70 -5.25 -1.08 -4.81 121.20 113.07 2krr s ILE 77 Ca 0.52 0.07 -0.01 0.00 -0.99 0.00 0.00 60.65 60.24 2krr s ILE 77 Cb -0.10 -2.29 0.03 0.00 2.95 0.00 0.00 42.46 43.04 2krr s ILE 77 CO 0.29 -0.09 -0.03 -0.54 -1.79 0.00 0.00 174.94 172.77 2krr s LYS 78 N -4.69 0.96 0.00 0.37 -0.14 0.18 -4.83 119.74 111.60 2krr s LYS 78 Ca 0.66 -0.04 -0.17 0.00 -1.36 0.00 0.00 55.97 55.06 2krr s LYS 78 Cb -0.22 -1.17 -0.06 0.00 -1.68 0.00 0.00 37.83 34.70 2krr s LYS 78 CO 0.60 -0.26 0.47 -0.51 -0.76 0.00 0.00 175.35 174.89 2krr s LEU 79 N 1.75 4.46 0.00 3.17 1.43 -1.26 -0.06 118.68 128.17 2krr s LEU 79 Ca 0.03 1.03 -0.01 0.00 -1.03 0.00 0.00 54.13 54.15 2krr s LEU 79 Cb -0.13 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.40 2krr s LEU 79 CO -0.06 0.26 0.32 -0.62 0.23 0.00 0.00 176.35 176.48 2krr n GLU 80 N 2.08 0.45 -5.01 1.70 -0.58 0.23 -4.98 120.64 114.53 2krr n GLU 80 Ca -0.12 -1.88 -0.32 0.00 -0.42 0.00 0.00 57.16 54.42 2krr n GLU 80 Cb 0.52 1.79 -0.15 0.00 -0.57 0.00 0.00 31.44 33.02 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 -2.55 3.00 0.00 3.49 0.00 -1.26 -0.91 119.74 121.51 2krr s LYS 81 Ca 0.20 -0.78 0.00 0.00 0.00 0.00 0.00 55.97 55.38 2krr s LYS 81 Cb -0.01 -2.41 0.00 0.00 0.00 0.00 0.00 37.83 35.41 2krr s LYS 81 CO 0.14 0.30 0.00 -0.35 0.00 0.00 0.00 175.35 175.44 2krr n PRO 82 N 3.23 -0.95 -3.83 1.78 -0.04 -1.26 -4.86 135.00 129.08 2krr n PRO 82 Ca -0.18 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.92 2krr n PRO 82 Cb 0.53 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 2krr n PRO 82 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2krr s LYS 83 N -2.89 3.51 0.00 0.54 2.36 -1.26 -4.94 119.74 117.06 2krr s LYS 83 Ca 0.00 -0.12 0.00 0.00 -2.55 0.00 0.00 55.97 53.30 2krr s LYS 83 Cb 0.00 -3.14 0.00 0.00 -1.05 0.00 0.00 37.83 33.64 2krr s LYS 83 CO 0.00 0.72 0.00 0.41 1.55 0.00 0.00 175.35 178.03 2krr n GLY 84 N 1.51 0.42 2.76 5.54 0.00 -1.26 -5.05 105.19 109.10 2krr n GLY 84 Ca -0.15 -1.24 -0.21 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.52 0.34 0.00 1.61 -0.14 -1.26 -5.08 119.74 114.69 2krr s LYS 85 Ca 0.00 0.17 0.00 0.00 -1.36 0.00 0.00 55.97 54.78 2krr s LYS 85 Cb 0.00 -0.72 0.00 0.00 -1.68 0.00 0.00 37.83 35.43 2krr s LYS 85 CO 0.00 -0.27 0.00 -3.47 -0.76 0.00 0.00 175.35 170.85 2krr n ASP 86 N 4.93 0.00 0.13 2.83 2.03 -1.26 -5.01 116.55 120.20 2krr n ASP 86 Ca -0.11 -0.97 0.12 0.00 0.52 0.00 0.00 54.79 54.35 2krr n ASP 86 Cb 0.50 0.00 0.50 0.00 -0.72 0.00 0.00 41.12 41.40 2krr n ASP 86 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2krr n SER 87 N -0.83 0.64 0.28 1.67 3.41 -1.26 -2.65 113.62 114.88 2krr n SER 87 Ca 0.00 0.67 0.18 0.00 -0.26 0.00 0.00 58.87 59.46 2krr n SER 87 Cb 0.00 -0.80 0.92 0.00 -0.26 0.00 0.00 64.21 64.07 2krr n SER 87 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2krr h LYS 88 N 0.00 0.00 -1.09 4.33 -0.00 -1.97 -1.66 116.57 116.18 2krr h LYS 88 Ca 0.00 0.00 0.30 0.00 -0.00 0.00 0.00 60.65 60.95 2krr h LYS 88 Cb 0.32 0.00 -0.07 0.00 -0.00 0.00 0.00 32.23 32.48 2krr h LYS 88 CO 0.00 0.00 0.74 0.87 -0.00 0.00 0.00 179.45 181.06 2krr h LYS 89 N 0.00 0.18 -0.99 0.07 1.79 -1.87 0.20 116.57 115.95 2krr h LYS 89 Ca 0.04 -0.01 0.17 0.00 -2.18 0.00 0.00 60.65 58.67 2krr h LYS 89 Cb 0.48 -0.04 -0.10 0.00 -1.58 0.00 0.00 32.23 30.98 2krr h LYS 89 CO -0.00 0.12 0.60 0.93 -1.08 0.00 0.00 179.45 180.02 2krr h GLU 90 N 0.19 0.78 0.00 3.15 4.39 -1.59 0.26 114.58 121.76 2krr h GLU 90 Ca 0.57 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 60.20 2krr h GLU 90 Cb 1.85 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 30.32 2krr h GLU 90 CO -0.15 0.51 -0.19 -0.09 -1.16 0.00 0.00 179.01 177.93 2krr h ARG 91 N 0.80 0.00 0.00 2.33 1.12 -0.84 -3.16 114.38 114.64 2krr h ARG 91 Ca 0.56 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.43 2krr h ARG 91 Cb 0.80 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.76 2krr h ARG 91 CO -0.36 0.09 0.00 -3.47 -3.11 0.00 0.00 179.97 173.12 2krr n ASP 92 N -3.08 0.02 0.31 -3.80 -0.08 0.89 -2.91 116.55 107.90 2krr n ASP 92 Ca 0.03 0.51 0.19 0.00 -1.51 0.00 0.00 54.79 54.01 2krr n ASP 92 Cb 0.57 -0.51 1.01 0.00 2.34 0.00 0.00 41.12 44.53 2krr n ASP 92 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2krr h ALA 93 N 2.54 1.31 -0.86 -1.67 0.00 -1.46 -1.69 119.26 117.43 2krr h ALA 93 Ca 0.00 -0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.16 2krr h ALA 93 Cb 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2krr h ALA 93 CO 0.00 -0.16 0.62 0.07 0.00 0.00 0.00 179.25 179.78 2krr h ARG 94 N 0.00 0.00 -6.95 0.00 0.11 -1.81 -3.39 114.38 102.35 2krr h ARG 94 Ca 0.02 -0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.57 2krr h ARG 94 Cb 0.29 -0.00 0.10 0.00 1.11 0.00 0.00 29.97 31.47 2krr h ARG 94 CO -0.00 0.00 0.70 0.99 0.10 0.00 0.00 179.97 181.76 2krr s THR 95 N -4.98 2.30 0.16 0.08 2.01 -0.64 -4.16 115.64 110.42 2krr s THR 95 Ca -0.05 0.28 0.08 0.00 0.31 0.00 0.00 61.69 62.31 2krr s THR 95 Cb 0.21 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 2krr s THR 95 CO 0.77 0.06 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.95 2krr s LEU 96 N -2.27 3.16 -0.06 4.42 2.01 0.88 -2.97 118.68 123.84 2krr s LEU 96 Ca 0.55 -0.45 0.05 0.00 0.01 0.00 0.00 54.13 54.29 2krr s LEU 96 Cb -0.43 -1.85 -0.01 0.00 0.01 0.00 0.00 46.19 43.91 2krr s LEU 96 CO 0.57 0.11 -0.23 -0.22 1.01 0.00 0.00 176.35 177.59 2krr s LEU 97 N -2.78 2.21 -0.06 1.79 1.98 0.74 -1.36 118.68 121.20 2krr s LEU 97 Ca 0.26 -0.46 0.01 0.00 -2.89 0.00 0.00 54.13 51.05 2krr s LEU 97 Cb -0.09 -1.42 -0.03 0.00 0.66 0.00 0.00 46.19 45.31 2krr s LEU 97 CO 0.17 0.25 -0.04 0.00 -1.89 0.00 0.00 176.35 174.84 2krr s ALA 98 N -0.20 3.10 0.29 5.97 0.00 0.92 0.19 121.76 132.04 2krr s ALA 98 Ca -0.02 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.08 2krr s ALA 98 Cb -0.13 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 2krr s ALA 98 CO 0.03 0.59 0.18 0.15 0.00 0.00 0.00 175.76 176.71 2krr s LYS 99 N -0.99 1.57 -1.19 0.00 1.02 -1.06 -1.92 119.74 117.17 2krr s LYS 99 Ca 0.14 -1.89 -0.01 0.00 0.02 0.00 0.00 55.97 54.23 2krr s LYS 99 Cb -0.11 0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.26 2krr s LYS 99 CO 0.03 -0.49 0.16 -1.71 -0.92 0.00 0.00 175.35 172.42 2krr n ASN 100 N -0.97 -4.55 -4.84 2.83 5.15 -1.26 -2.39 115.26 109.23 2krr n ASN 100 Ca 0.03 -0.08 -0.38 0.00 -0.60 0.00 0.00 54.58 53.55 2krr n ASN 100 Cb 0.64 -3.60 -0.06 0.00 -0.53 0.00 0.00 39.78 36.23 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 -4.42 4.45 0.72 1.20 1.43 -1.26 -4.47 118.68 116.32 2krr s LEU 101 Ca 0.08 0.82 -0.13 0.00 -1.03 0.00 0.00 54.13 53.87 2krr s LEU 101 Cb -0.03 -2.45 0.03 0.00 0.03 0.00 0.00 46.19 43.77 2krr s LEU 101 CO 0.10 0.34 1.10 -2.16 0.23 0.00 0.00 176.35 175.95 2krr s PRO 102 N -1.01 2.53 0.26 1.29 0.04 -1.26 -4.13 135.00 132.72 2krr s PRO 102 Ca 0.21 1.28 0.21 0.00 0.04 0.00 0.00 61.00 62.74 2krr s PRO 102 Cb -0.15 -1.92 0.99 0.00 0.04 0.00 0.00 34.50 33.46 2krr s PRO 102 CO 0.11 -1.45 1.64 0.66 0.04 0.00 0.00 177.00 178.00 2krr n TYR 103 N -2.97 0.70 -0.61 0.56 4.01 -1.26 -1.13 117.16 116.45 2krr n TYR 103 Ca 0.10 0.32 0.08 0.00 -0.16 0.00 0.00 57.90 58.23 2krr n TYR 103 Cb 0.52 -1.01 0.28 0.00 -0.31 0.00 0.00 39.34 38.83 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 -2.18 3.32 -1.59 -0.72 2.85 -1.26 -1.61 118.16 116.98 2krr n LYS 104 Ca 0.01 -2.66 -0.31 0.00 -1.05 0.00 0.00 58.31 54.29 2krr n LYS 104 Cb 0.13 -1.72 0.05 0.00 -0.65 0.00 0.00 35.03 32.84 2krr n LYS 104 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2krr s VAL 105 N -1.91 3.85 0.23 0.58 0.11 -0.29 -5.02 120.40 117.95 2krr s VAL 105 Ca 0.41 0.65 0.01 0.00 -2.93 0.00 0.00 61.98 60.12 2krr s VAL 105 Cb 0.28 -3.30 -0.04 0.00 -1.53 0.00 0.00 36.38 31.79 2krr s VAL 105 CO 0.18 -0.74 0.16 -0.89 -3.33 0.00 0.00 175.10 170.48 2krr s THR 106 N -2.91 0.02 0.06 5.04 2.01 -1.26 -4.70 115.64 113.90 2krr s THR 106 Ca 0.60 -2.00 -0.36 0.00 0.31 0.00 0.00 61.69 60.23 2krr s THR 106 Cb -0.15 -2.50 -0.20 0.00 0.01 0.00 0.00 72.50 69.66 2krr s THR 106 CO 0.52 0.00 1.55 1.56 -0.69 0.00 0.00 174.62 177.56 2krr h GLN 107 N 2.50 -1.21 -0.86 4.92 4.20 -1.99 -2.67 115.11 120.00 2krr h GLN 107 Ca -0.34 0.08 0.16 0.00 0.06 0.00 0.00 58.65 58.62 2krr h GLN 107 Cb 1.25 0.27 -0.07 0.00 0.30 0.00 0.00 27.48 29.23 2krr h GLN 107 CO 0.50 -0.80 0.56 0.22 -0.67 0.00 0.00 178.83 178.64 2krr h ASP 108 N -1.25 0.53 -0.76 1.46 1.82 -1.98 0.05 116.42 116.28 2krr h ASP 108 Ca -0.12 0.04 0.14 0.00 -0.39 0.00 0.00 57.03 56.70 2krr h ASP 108 Cb 0.98 -0.06 -0.09 0.00 0.68 0.00 0.00 39.33 40.83 2krr h ASP 108 CO 0.17 0.25 0.32 -0.33 -1.61 0.00 0.00 179.24 178.04 2krr h GLU 109 N 0.55 0.46 0.00 0.28 5.08 -1.89 -0.60 114.58 118.47 2krr h GLU 109 Ca 0.44 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.67 2krr h GLU 109 Cb 0.88 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2krr h GLU 109 CO -0.18 0.31 -0.94 -0.07 -1.00 0.00 0.00 179.01 177.13 2krr h LEU 110 N 0.48 0.00 -0.44 1.33 4.07 -1.02 -3.27 115.31 116.46 2krr h LEU 110 Ca 0.42 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.38 2krr h LEU 110 Cb 0.62 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.36 2krr h LEU 110 CO -0.39 0.40 0.00 2.29 -1.08 0.00 0.00 178.44 179.66 2krr n LYS 111 N -2.97 0.08 0.19 1.13 2.85 -0.14 -2.18 118.16 117.12 2krr n LYS 111 Ca -0.03 0.41 0.14 0.00 -1.05 0.00 0.00 58.31 57.78 2krr n LYS 111 Cb 0.73 -1.68 0.67 0.00 -0.65 0.00 0.00 35.03 34.09 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 5.08 -1.46 0.40 114.58 117.02 2krr h GLU 112 Ca 0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 2krr h GLU 112 Cb 0.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2krr h GLU 112 CO 0.00 0.00 -1.90 1.33 -1.00 0.00 0.00 179.01 177.44 2krr n VAL 113 N -2.45 0.88 -1.42 3.13 0.24 -0.93 -4.66 118.33 113.12 2krr n VAL 113 Ca -0.01 -0.24 -0.30 0.00 -2.04 0.00 0.00 64.34 61.76 2krr n VAL 113 Cb 0.12 -1.66 0.09 0.00 -1.47 0.00 0.00 33.84 30.92 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 -3.65 3.01 0.33 6.34 1.16 -1.20 -4.65 117.46 118.80 2krr n PHE 114 Ca -0.31 -2.65 0.20 0.00 -1.87 0.00 0.00 57.45 52.82 2krr n PHE 114 Cb 0.73 -1.16 1.07 0.00 -1.61 0.00 0.00 39.48 38.51 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 1.81 0.00 0.00 3.97 4.81 -0.46 0.38 114.58 125.08 2krr h GLU 115 Ca 0.56 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 2krr h GLU 115 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2krr h GLU 115 CO 1.33 0.00 -0.47 0.22 -0.73 0.00 0.00 179.01 179.36 2krr h ASP 116 N 0.00 0.00 -2.38 1.04 3.58 -1.83 -3.47 116.42 113.35 2krr h ASP 116 Ca 0.01 -0.14 -0.49 0.00 0.42 0.00 0.00 57.03 56.83 2krr h ASP 116 Cb 0.25 0.00 0.23 0.00 1.72 0.00 0.00 39.33 41.53 2krr h ASP 116 CO -0.00 0.07 -1.24 0.00 -2.88 0.00 0.00 179.24 175.18 2krr n ALA 117 N -1.86 -4.10 0.18 -0.78 0.00 0.13 -4.95 120.51 109.14 2krr n ALA 117 Ca 0.04 -1.09 -0.08 0.00 0.00 0.00 0.00 53.44 52.31 2krr n ALA 117 Cb 0.45 -1.46 -0.04 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 -1.72 -0.61 -2.45 0.00 0.00 -1.83 -3.48 119.26 109.17 2krr h ALA 118 Ca -0.48 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.08 2krr h ALA 118 Cb 1.34 0.20 -0.15 0.00 0.00 0.00 0.00 17.79 19.18 2krr h ALA 118 CO 0.34 -0.57 -0.64 -1.83 0.00 0.00 0.00 179.25 176.55 2krr s GLU 119 N -3.31 1.09 -0.03 0.00 -1.05 -0.65 -5.02 118.70 109.73 2krr s GLU 119 Ca -0.08 -1.55 0.02 0.00 -0.15 0.00 0.00 54.97 53.21 2krr s GLU 119 Cb 0.01 0.14 0.01 0.00 -0.44 0.00 0.00 34.13 33.85 2krr s GLU 119 CO 0.23 -0.29 -0.06 0.42 0.95 0.00 0.00 175.26 176.51 2krr s ILE 120 N -4.01 0.55 -0.22 1.83 1.09 -1.26 -2.67 121.20 116.51 2krr s ILE 120 Ca 0.30 -0.21 -0.03 0.00 -1.10 0.00 0.00 60.65 59.61 2krr s ILE 120 Cb 0.07 -0.52 0.07 0.00 -1.06 0.00 0.00 42.46 41.02 2krr s ILE 120 CO 0.07 0.19 0.07 -0.13 -0.10 0.00 0.00 174.94 175.04 2krr s ARG 121 N 0.39 0.45 0.41 2.79 0.52 0.12 -5.00 118.95 118.63 2krr s ARG 121 Ca -0.05 -0.44 -0.06 0.00 -0.52 0.00 0.00 55.73 54.66 2krr s ARG 121 Cb -0.09 -1.89 -0.05 0.00 0.52 0.00 0.00 34.95 33.44 2krr s ARG 121 CO 0.00 -0.75 0.72 -0.51 0.02 0.00 0.00 175.30 174.78 2krr s LEU 122 N 1.93 3.80 -0.32 2.53 2.01 -1.26 -0.14 118.68 127.23 2krr s LEU 122 Ca 0.02 0.90 0.02 0.00 0.01 0.00 0.00 54.13 55.09 2krr s LEU 122 Cb -0.17 -3.81 0.08 0.00 0.01 0.00 0.00 46.19 42.31 2krr s LEU 122 CO -0.15 -0.43 0.01 -0.69 1.01 0.00 0.00 176.35 176.10 2krr s VAL 123 N -2.48 2.53 0.04 -1.59 1.01 -1.23 -4.88 120.40 113.81 2krr s VAL 123 Ca 0.47 -1.89 -0.00 0.00 0.00 0.00 0.00 61.98 60.56 2krr s VAL 123 Cb -0.10 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2krr s VAL 123 CO 0.37 -0.34 -0.03 -0.94 0.00 0.00 0.00 175.10 174.17 2krr s SER 124 N 1.17 0.42 -0.04 3.32 1.04 -1.26 -1.88 113.70 116.47 2krr s SER 124 Ca 0.01 -0.74 0.02 0.00 0.48 0.00 0.00 55.95 55.72 2krr s SER 124 Cb -0.20 0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.07 2krr s SER 124 CO -0.05 -0.43 -0.10 -0.75 0.98 0.00 0.00 173.24 172.89 2krr s LYS 125 N -2.64 1.22 -1.72 4.02 2.20 0.83 -4.74 119.74 118.91 2krr s LYS 125 Ca -0.05 -0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.23 2krr s LYS 125 Cb -0.02 -1.09 0.00 0.00 -1.51 0.00 0.00 37.83 35.22 2krr s LYS 125 CO -0.05 0.08 0.00 -3.47 -0.36 0.00 0.00 175.35 171.55 2krr n ASP 126 N 3.52 -5.09 0.00 1.43 -0.08 -1.26 -1.21 116.55 113.86 2krr n ASP 126 Ca -0.21 0.40 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 2krr n ASP 126 Cb 0.53 -4.02 0.00 0.00 2.34 0.00 0.00 41.12 39.97 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 -0.80 0.71 3.11 0.27 0.00 -1.26 -5.05 105.19 102.17 2krr n GLY 127 Ca -0.16 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.48 2.38 0.95 1.61 -0.14 -0.35 -5.03 119.74 118.67 2krr s LYS 128 Ca 0.00 -0.64 -0.12 0.00 -1.36 0.00 0.00 55.97 53.86 2krr s LYS 128 Cb 0.00 -1.91 0.09 0.00 -1.68 0.00 0.00 37.83 34.33 2krr s LYS 128 CO 0.00 0.04 0.68 0.45 -0.76 0.00 0.00 175.35 175.76 2krr n SER 129 N 3.86 -1.20 -0.06 2.83 2.88 -0.63 -0.12 113.62 121.17 2krr n SER 129 Ca -0.20 0.34 0.04 0.00 -1.33 0.00 0.00 58.87 57.71 2krr n SER 129 Cb 0.52 -1.30 -0.03 0.00 -0.75 0.00 0.00 64.21 62.65 2krr n SER 129 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2krr n LYS 130 N -2.73 3.63 0.00 -1.46 4.76 -0.79 -4.69 118.16 116.88 2krr n LYS 130 Ca 0.08 -0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 2krr n LYS 130 Cb 0.53 -0.93 0.00 0.00 -1.84 0.00 0.00 35.03 32.79 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 1.08 1.73 3.58 0.72 0.00 -1.26 -5.04 105.19 106.01 2krr n GLY 131 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 0.02 -0.30 -0.61 -4.36 -1.26 -3.98 121.20 108.71 2krr s ILE 132 Ca 0.00 -0.91 -0.09 0.00 -0.26 0.00 0.00 60.65 59.39 2krr s ILE 132 Cb 0.00 -1.75 0.17 0.00 1.25 0.00 0.00 42.46 42.13 2krr s ILE 132 CO 0.00 -0.08 0.79 0.00 0.24 0.00 0.00 174.94 175.89 2krr s ALA 133 N -3.90 -2.53 -0.09 2.27 0.00 -0.81 -3.47 121.76 113.23 2krr s ALA 133 Ca 0.12 1.94 -0.14 0.00 0.00 0.00 0.00 51.96 53.88 2krr s ALA 133 Cb -0.02 -2.11 -0.05 0.00 0.00 0.00 0.00 23.12 20.95 2krr s ALA 133 CO 0.01 -1.17 0.36 0.71 0.00 0.00 0.00 175.76 175.67 2krr s TYR 134 N 2.79 3.59 -0.04 0.00 2.02 0.80 -0.05 117.35 126.46 2krr s TYR 134 Ca 0.05 0.80 0.02 0.00 -0.37 0.00 0.00 57.07 57.56 2krr s TYR 134 Cb -0.11 -2.32 0.02 0.00 -0.40 0.00 0.00 41.96 39.14 2krr s TYR 134 CO -0.18 0.43 -0.07 0.96 -1.57 0.00 0.00 175.55 175.13 2krr s ILE 135 N -0.25 0.66 -0.47 2.71 -0.00 -0.46 0.10 121.20 123.49 2krr s ILE 135 Ca 0.21 -0.23 -0.14 0.00 -0.00 0.00 0.00 60.65 60.49 2krr s ILE 135 Cb -0.15 -0.64 0.08 0.00 -0.00 0.00 0.00 42.46 41.76 2krr s ILE 135 CO 0.09 0.24 0.37 -1.61 -0.00 0.00 0.00 174.94 174.03 2krr s GLU 136 N 0.66 2.87 0.92 0.37 0.41 -1.09 -0.09 118.70 122.75 2krr s GLU 136 Ca -0.10 -1.43 -0.13 0.00 -0.41 0.00 0.00 54.97 52.90 2krr s GLU 136 Cb -0.13 -4.06 0.15 0.00 -1.78 0.00 0.00 34.13 28.31 2krr s GLU 136 CO 0.01 -1.05 1.16 -0.06 -0.49 0.00 0.00 175.26 174.83 2krr s PHE 137 N 1.57 2.33 0.13 1.61 0.40 -1.26 -1.63 117.98 121.13 2krr s PHE 137 Ca 0.04 0.74 -0.02 0.00 -0.60 0.00 0.00 56.93 57.09 2krr s PHE 137 Cb -0.25 -3.50 -0.12 0.00 0.51 0.00 0.00 43.02 39.67 2krr s PHE 137 CO 0.05 -2.41 1.29 0.87 0.70 0.00 0.00 175.22 175.71 2krr h LYS 138 N -1.52 0.30 -2.77 0.44 6.56 -1.91 -3.43 116.57 114.22 2krr h LYS 138 Ca -0.49 -0.36 -0.11 0.00 -1.06 0.00 0.00 60.65 58.63 2krr h LYS 138 Cb 1.32 0.11 -0.22 0.00 -0.57 0.00 0.00 32.23 32.88 2krr h LYS 138 CO 0.58 1.08 -0.20 -0.08 -2.06 0.00 0.00 179.45 178.77 2krr s THR 139 N -3.08 0.03 0.57 -0.16 -1.32 -1.26 -5.02 115.64 105.39 2krr s THR 139 Ca -0.04 -0.22 0.28 0.00 -1.21 0.00 0.00 61.69 60.50 2krr s THR 139 Cb 0.09 -0.65 0.39 0.00 -1.51 0.00 0.00 72.50 70.82 2krr s THR 139 CO 0.86 -0.12 1.96 -0.08 -2.21 0.00 0.00 174.62 175.03 2krr h GLU 140 N 4.45 0.00 -0.11 7.08 4.81 -1.90 0.26 114.58 129.17 2krr h GLU 140 Ca -0.28 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.81 2krr h GLU 140 Cb 1.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2krr h GLU 140 CO 0.33 0.00 -0.53 0.00 -0.73 0.00 0.00 179.01 178.08 2krr h ALA 141 N 1.59 0.89 0.00 2.92 0.00 -1.95 0.26 119.26 122.97 2krr h ALA 141 Ca 0.21 -0.49 -0.23 0.00 0.00 0.00 0.00 54.91 54.40 2krr h ALA 141 Cb 1.03 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2krr h ALA 141 CO -0.00 0.68 -1.23 0.22 0.00 0.00 0.00 179.25 178.91 2krr h ASP 142 N 0.25 0.00 0.00 0.00 3.58 -0.96 -3.15 116.42 116.14 2krr h ASP 142 Ca 0.01 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 2krr h ASP 142 Cb 1.01 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.06 2krr h ASP 142 CO 0.09 0.94 -0.18 0.00 -2.88 0.00 0.00 179.24 177.20 2krr h ALA 143 N 1.06 0.01 -0.50 -0.78 0.00 -1.06 -1.98 119.26 116.00 2krr h ALA 143 Ca -0.11 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 54.74 2krr h ALA 143 Cb 1.82 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.76 2krr h ALA 143 CO 0.10 0.17 0.44 1.05 0.00 0.00 0.00 179.25 181.02 2krr h GLU 144 N -1.00 0.00 0.00 0.00 4.11 -0.67 -1.40 114.58 115.62 2krr h GLU 144 Ca -0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 2krr h GLU 144 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2krr h GLU 144 CO -0.00 0.00 -0.46 -0.22 0.07 0.00 0.00 179.01 178.40 2krr h LYS 145 N 0.00 0.00 -0.55 1.06 1.63 -1.67 -3.33 116.57 113.70 2krr h LYS 145 Ca 0.24 0.00 0.16 0.00 -0.85 0.00 0.00 60.65 60.20 2krr h LYS 145 Cb 1.12 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.73 2krr h LYS 145 CO -0.00 0.78 0.54 1.15 -3.45 0.00 0.00 179.45 178.47 2krr h THR 146 N -1.00 0.38 0.01 1.00 2.02 -0.65 -0.87 112.91 113.80 2krr h THR 146 Ca -0.11 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.08 2krr h THR 146 Cb 0.93 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 67.87 2krr h THR 146 CO -0.07 0.00 -0.47 0.15 0.37 0.00 0.00 175.52 175.50 2krr h PHE 147 N 0.00 -1.37 0.00 3.16 3.57 -1.39 0.23 116.94 121.14 2krr h PHE 147 Ca 0.26 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.80 2krr h PHE 147 Cb 1.33 0.60 0.00 0.00 2.79 0.00 0.00 35.95 40.67 2krr h PHE 147 CO 0.00 -0.50 -0.29 1.05 -2.23 0.00 0.00 178.31 176.33 2krr h GLU 148 N -0.59 0.00 0.00 1.11 4.11 -1.62 0.16 114.58 117.75 2krr h GLU 148 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2krr h GLU 148 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2krr h GLU 148 CO -0.31 0.00 0.00 0.93 0.07 0.00 0.00 179.01 179.70 2krr h GLU 149 N 0.00 0.00 0.00 1.06 5.08 -0.64 -3.30 114.58 116.78 2krr h GLU 149 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2krr h GLU 149 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2krr h GLU 149 CO 0.00 0.00 -0.97 1.63 -1.00 0.00 0.00 179.01 178.67 2krr n LYS 150 N -2.93 2.99 -1.58 2.33 4.76 0.78 -5.01 118.16 119.49 2krr n LYS 150 Ca 0.02 0.00 -0.58 0.00 -2.87 0.00 0.00 58.31 54.88 2krr n LYS 150 Cb 0.37 -0.99 -0.08 0.00 -1.84 0.00 0.00 35.03 32.50 2krr n LYS 150 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 2krr n GLN 151 N -1.84 0.48 0.00 1.97 -0.06 0.57 -2.85 117.38 115.66 2krr n GLN 151 Ca 0.00 0.18 0.00 0.00 -2.00 0.00 0.00 57.00 55.18 2krr n GLN 151 Cb 0.37 -1.74 0.00 0.00 -4.06 0.00 0.00 30.24 24.81 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 2.42 1.10 3.77 1.69 0.00 -1.26 -4.95 105.19 107.96 2krr n GLY 152 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 3.06 -0.12 2.61 -1.32 -1.13 -4.98 115.64 111.77 2krr s THR 153 Ca 0.00 0.34 0.02 0.00 -1.21 0.00 0.00 61.69 60.85 2krr s THR 153 Cb 0.00 -2.96 0.01 0.00 -1.51 0.00 0.00 72.50 68.04 2krr s THR 153 CO 0.00 -0.45 -0.19 -1.61 -2.21 0.00 0.00 174.62 170.15 2krr s GLU 154 N -5.02 2.67 -0.02 7.08 2.02 -1.26 -3.26 118.70 120.90 2krr s GLU 154 Ca 0.61 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.88 2krr s GLU 154 Cb -0.16 -2.16 0.02 0.00 0.10 0.00 0.00 34.13 31.93 2krr s GLU 154 CO 0.56 0.01 0.00 0.42 0.02 0.00 0.00 175.26 176.26 2krr s ILE 155 N 0.78 0.14 -1.64 -1.63 1.09 0.11 -4.80 121.20 115.26 2krr s ILE 155 Ca -0.10 0.08 0.00 0.00 -1.10 0.00 0.00 60.65 59.54 2krr s ILE 155 Cb -0.16 -0.23 0.00 0.00 -1.06 0.00 0.00 42.46 41.01 2krr s ILE 155 CO 0.01 0.12 0.00 -0.67 -0.10 0.00 0.00 174.94 174.30 2krr n ASP 156 N 4.00 -4.91 0.00 3.58 2.03 -1.26 -1.91 116.55 118.08 2krr n ASP 156 Ca -0.25 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.37 2krr n ASP 156 Cb 0.51 -3.86 0.00 0.00 -0.72 0.00 0.00 41.12 37.05 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 -1.01 2.99 2.88 0.27 0.00 -1.26 -5.02 105.19 104.05 2krr n GLY 157 Ca -0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 2krr n GLY 157 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2krr n ARG 158 N -0.54 0.45 -4.06 1.61 1.85 -0.80 -5.06 116.66 110.11 2krr n ARG 158 Ca 0.00 -2.19 -0.34 0.00 -1.00 0.00 0.00 57.85 54.33 2krr n ARG 158 Cb 0.00 -0.31 -0.15 0.00 -1.05 0.00 0.00 32.46 30.95 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 -3.80 3.46 0.19 2.89 0.01 -1.26 0.08 113.70 115.27 2krr s SER 159 Ca 0.47 -0.59 -0.15 0.00 1.31 0.00 0.00 55.95 56.98 2krr s SER 159 Cb -0.03 -1.55 -0.07 0.00 0.21 0.00 0.00 66.02 64.57 2krr s SER 159 CO 0.30 -0.01 0.60 0.27 0.41 0.00 0.00 173.24 174.82 2krr s ILE 160 N 1.34 4.79 0.42 1.44 -4.36 -1.20 -4.92 121.20 118.71 2krr s ILE 160 Ca 0.05 0.89 0.07 0.00 -0.26 0.00 0.00 60.65 61.40 2krr s ILE 160 Cb -0.13 -3.73 -0.04 0.00 1.25 0.00 0.00 42.46 39.80 2krr s ILE 160 CO -0.10 0.16 0.23 -0.44 0.24 0.00 0.00 174.94 175.03 2krr s SER 161 N -1.84 4.57 -0.00 4.36 0.01 -1.01 -4.28 113.70 115.51 2krr s SER 161 Ca 0.42 -1.03 -0.02 0.00 1.31 0.00 0.00 55.95 56.63 2krr s SER 161 Cb -0.14 -0.42 -0.00 0.00 0.21 0.00 0.00 66.02 65.66 2krr s SER 161 CO 0.20 -0.61 0.04 -0.22 0.41 0.00 0.00 173.24 173.05 2krr s LEU 162 N -3.98 1.91 -0.14 2.44 2.96 -1.26 -2.58 118.68 118.03 2krr s LEU 162 Ca 0.41 -0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 54.13 2krr s LEU 162 Cb 0.02 0.22 0.06 0.00 0.50 0.00 0.00 46.19 46.99 2krr s LEU 162 CO 0.23 -0.16 0.31 -0.31 -1.32 0.00 0.00 176.35 175.11 2krr s TYR 163 N -0.64 -0.48 0.10 5.38 2.02 0.13 -4.96 117.35 118.91 2krr s TYR 163 Ca -0.07 1.05 -0.30 0.00 -0.37 0.00 0.00 57.07 57.37 2krr s TYR 163 Cb -0.04 0.11 -0.07 0.00 -0.40 0.00 0.00 41.96 41.56 2krr s TYR 163 CO -0.00 -0.32 1.22 1.52 -1.57 0.00 0.00 175.55 176.40 2krr s TYR 164 N 1.78 3.42 -0.06 2.71 -0.85 -1.26 -0.19 117.35 122.90 2krr s TYR 164 Ca -0.06 1.29 -0.22 0.00 -0.52 0.00 0.00 57.07 57.57 2krr s TYR 164 Cb -0.11 -3.45 0.05 0.00 0.38 0.00 0.00 41.96 38.83 2krr s TYR 164 CO -0.10 -1.38 0.50 -0.08 -1.52 0.00 0.00 175.55 172.97 2krr s THR 165 N 0.77 0.02 0.00 -3.49 -1.32 -1.16 -4.89 115.64 105.57 2krr s THR 165 Ca 0.58 -0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.85 2krr s THR 165 Cb -0.31 -0.80 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 2krr s THR 165 CO 0.31 -0.11 0.00 0.61 -2.21 0.00 0.00 174.62 173.22 2krr n GLY 166 N 1.34 0.17 3.69 6.08 0.00 -1.26 -4.50 105.19 110.71 2krr n GLY 166 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 2krr n GLY 166 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2krr s GLU 167 N 0.00 1.21 0.11 1.61 0.41 -1.26 -4.56 118.70 116.22 2krr s GLU 167 Ca 0.00 1.38 -0.02 0.00 -0.41 0.00 0.00 54.97 55.93 2krr s GLU 167 Cb 0.00 -1.76 0.03 0.00 -1.78 0.00 0.00 34.13 30.61 2krr s GLU 167 CO 0.00 -2.44 0.09 -0.35 -0.49 0.00 0.00 175.26 172.07 2krr n PRO 168 N -4.09 -1.21 0.22 0.39 -0.04 -1.26 -4.88 135.00 124.13 2krr n PRO 168 Ca 0.10 -0.15 0.15 0.00 -0.04 0.00 0.00 63.50 63.57 2krr n PRO 168 Cb 0.53 -0.14 0.72 0.00 -0.04 0.00 0.00 33.50 34.56 2krr n PRO 168 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2krr h LYS 169 N 0.00 0.00 0.00 0.54 1.57 -2.04 -3.41 116.57 113.22 2krr h LYS 169 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2krr h LYS 169 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2krr h LYS 169 CO 0.02 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.31 2krr n GLY 170 N -0.50 -0.81 0.37 3.86 0.00 -1.26 -4.99 105.19 101.85 2krr n GLY 170 Ca -0.00 0.85 0.19 0.00 0.00 0.00 0.00 46.02 47.06 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 0.00 -0.03 1.61 4.11 -1.97 0.40 114.58 118.71 2krr h GLU 171 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2krr h GLU 171 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2krr h GLU 171 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.49 2krr n GLY 172 N -1.62 -0.39 0.27 1.06 0.00 -1.26 -3.96 105.19 99.29 2krr n GLY 172 Ca 0.08 -0.33 -0.07 0.00 0.00 0.00 0.00 46.02 45.70 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 1.33 0.84 -1.14 0.99 3.38 -0.57 -3.55 115.31 116.59 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 0.28 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2krr h LEU 173 CO 0.00 0.75 0.00 -0.62 0.09 0.00 0.00 178.44 178.66