#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krr n THR 2 N 0.00 -9.29 -4.04 2.61 -1.04 -1.26 -5.01 114.28 96.25 2krr n THR 2 Ca 0.00 -1.07 -0.33 0.00 -2.04 0.00 0.00 64.05 60.61 2krr n THR 2 Cb 0.00 -6.54 -0.15 0.00 -1.82 0.00 0.00 70.33 61.82 2krr n THR 2 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2krr s GLU 3 N -4.13 2.46 0.42 -2.82 2.02 -1.26 -5.11 118.70 110.28 2krr s GLU 3 Ca 0.35 -1.21 -0.25 0.00 0.02 0.00 0.00 54.97 53.89 2krr s GLU 3 Cb -0.05 -2.89 -0.08 0.00 0.10 0.00 0.00 34.13 31.21 2krr s GLU 3 CO 0.75 -0.50 1.18 -1.25 0.02 0.00 0.00 175.26 175.47 2krr s PRO 4 N 1.18 3.97 -0.08 0.39 0.04 -1.26 -4.98 135.00 134.26 2krr s PRO 4 Ca -0.05 1.86 -0.19 0.00 0.04 0.00 0.00 61.00 62.66 2krr s PRO 4 Cb -0.18 -2.62 -0.29 0.00 0.04 0.00 0.00 34.50 31.45 2krr s PRO 4 CO -0.06 -0.40 0.69 1.79 0.04 0.00 0.00 177.00 179.07 2krr h THR 5 N 2.22 1.24 -1.98 1.26 1.35 -1.96 -3.48 112.91 111.57 2krr h THR 5 Ca -0.49 -2.45 -0.58 0.00 -0.55 0.00 0.00 66.41 62.34 2krr h THR 5 Cb 1.24 2.92 -0.13 0.00 -1.73 0.00 0.00 68.15 70.44 2krr h THR 5 CO 0.62 0.70 -0.55 0.28 -0.25 0.00 0.00 175.52 176.32 2krr s THR 6 N -2.45 1.04 -0.51 6.82 -1.32 -1.26 -5.04 115.64 112.93 2krr s THR 6 Ca -0.17 -2.00 0.25 0.00 -1.21 0.00 0.00 61.69 58.55 2krr s THR 6 Cb 0.03 -2.48 0.32 0.00 -1.51 0.00 0.00 72.50 68.87 2krr s THR 6 CO 0.79 0.00 1.68 0.00 -2.21 0.00 0.00 174.62 174.88 2krr h ALA 7 N 1.75 1.00 -1.82 11.08 0.00 -1.93 -3.43 119.26 125.90 2krr h ALA 7 Ca -0.40 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.94 2krr h ALA 7 Cb 1.27 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.98 2krr h ALA 7 CO 0.67 0.00 0.81 -0.06 0.00 0.00 0.00 179.25 180.67 2krr s PHE 8 N -3.20 2.90 0.26 0.00 0.08 -1.26 -4.98 117.98 111.78 2krr s PHE 8 Ca 0.08 0.70 -0.18 0.00 0.12 0.00 0.00 56.93 57.65 2krr s PHE 8 Cb 0.08 -4.18 0.01 0.00 -0.57 0.00 0.00 43.02 38.35 2krr s PHE 8 CO 0.63 -1.14 0.62 -0.80 -0.10 0.00 0.00 175.22 174.43 2krr s ASN 9 N 2.28 -0.20 -0.01 1.36 -0.87 -1.26 -1.35 114.94 114.88 2krr s ASN 9 Ca 0.44 -0.72 -0.19 0.00 -1.57 0.00 0.00 52.86 50.83 2krr s ASN 9 Cb -0.09 0.67 0.04 0.00 -0.02 0.00 0.00 41.25 41.85 2krr s ASN 9 CO 0.28 -1.26 0.41 -1.48 -2.57 0.00 0.00 177.10 172.48 2krr s LEU 10 N -2.95 0.44 -0.19 0.60 0.05 -0.37 -4.83 118.68 111.42 2krr s LEU 10 Ca 0.15 0.22 -0.24 0.00 0.05 0.00 0.00 54.13 54.32 2krr s LEU 10 Cb -0.04 1.62 -0.02 0.00 -2.05 0.00 0.00 46.19 45.71 2krr s LEU 10 CO 0.07 -0.51 0.76 0.12 -0.55 0.00 0.00 176.35 176.24 2krr s PHE 11 N -1.45 3.38 0.27 3.48 2.19 0.97 -1.34 117.98 125.50 2krr s PHE 11 Ca -0.12 1.12 0.09 0.00 0.33 0.00 0.00 56.93 58.35 2krr s PHE 11 Cb -0.03 -2.95 -0.04 0.00 -1.31 0.00 0.00 43.02 38.68 2krr s PHE 11 CO 0.05 -0.25 0.03 0.14 1.83 0.00 0.00 175.22 177.02 2krr s VAL 12 N 2.22 3.49 0.35 3.12 -7.23 0.13 0.88 120.40 123.36 2krr s VAL 12 Ca 0.34 -1.84 -0.04 0.00 -1.81 0.00 0.00 61.98 58.64 2krr s VAL 12 Cb -0.16 -2.92 0.01 0.00 0.56 0.00 0.00 36.38 33.87 2krr s VAL 12 CO 0.11 -0.35 0.51 -0.83 -0.31 0.00 0.00 175.10 174.23 2krr s GLY 13 N -3.71 1.36 -1.15 2.32 0.00 0.13 -1.53 107.32 104.74 2krr s GLY 13 Ca 0.32 -1.43 -0.20 0.00 0.00 0.00 0.00 44.72 43.42 2krr s GLY 13 CO 0.21 -0.92 0.78 -2.01 0.00 0.00 0.00 173.10 171.16 2krr n ASN 14 N -1.41 -5.09 -1.10 1.64 5.15 0.20 -0.10 115.26 114.55 2krr n ASN 14 Ca -0.00 -1.02 0.11 0.00 -0.60 0.00 0.00 54.58 53.08 2krr n ASN 14 Cb 0.61 -3.37 0.20 0.00 -0.53 0.00 0.00 39.78 36.69 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 -4.20 3.38 -1.19 1.20 4.77 -0.44 -3.55 117.00 116.96 2krr n LEU 15 Ca -0.10 -1.49 0.00 0.00 -0.03 0.00 0.00 56.01 54.39 2krr n LEU 15 Cb 0.59 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2krr n LEU 15 CO 0.67 0.72 -0.36 -0.46 -1.33 0.00 0.00 177.39 176.64 2krr n ASN 16 N 1.42 -6.54 -3.34 -1.43 6.94 -1.25 -4.89 115.26 106.16 2krr n ASN 16 Ca 0.18 1.21 -0.26 0.00 -0.02 0.00 0.00 54.58 55.69 2krr n ASN 16 Cb 0.59 -3.51 -0.08 0.00 -2.36 0.00 0.00 39.78 34.42 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 -1.72 2.22 -0.00 -2.53 1.16 -1.25 -4.44 117.46 110.90 2krr n PHE 17 Ca 0.00 -3.95 0.00 0.00 -1.87 0.00 0.00 57.45 51.63 2krr n PHE 17 Cb 0.21 -0.48 -0.00 0.00 -1.61 0.00 0.00 39.48 37.59 2krr n PHE 17 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 2krr n ASN 18 N 1.06 4.95 -3.26 5.98 3.02 -1.26 -5.07 115.26 120.67 2krr n ASN 18 Ca 0.27 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.70 2krr n ASN 18 Cb 0.45 0.89 -0.00 0.00 -0.61 0.00 0.00 39.78 40.51 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 1.17 -0.94 3.52 4.76 -1.26 -5.12 118.16 118.66 2krr n LYS 19 Ca -0.00 -1.57 -0.29 0.00 -2.87 0.00 0.00 58.31 53.58 2krr n LYS 19 Cb 0.12 0.21 0.18 0.00 -1.84 0.00 0.00 35.03 33.70 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 -2.42 2.51 0.04 4.39 0.01 -1.26 -4.92 113.70 112.04 2krr s SER 20 Ca 0.12 1.53 -0.31 0.00 1.31 0.00 0.00 55.95 58.59 2krr s SER 20 Cb -0.01 -2.20 -0.18 0.00 0.21 0.00 0.00 66.02 63.84 2krr s SER 20 CO 0.08 -3.25 1.36 0.00 0.41 0.00 0.00 173.24 171.84 2krr h ALA 21 N -1.97 -1.05 0.00 1.44 0.00 -1.99 -2.86 119.26 112.83 2krr h ALA 21 Ca -0.53 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2krr h ALA 21 Cb 1.30 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2krr h ALA 21 CO 0.52 -1.01 0.00 -0.35 0.00 0.00 0.00 179.25 178.41 2krr n PRO 22 N -5.49 0.14 0.13 0.00 -0.04 -1.26 -2.16 135.00 126.32 2krr n PRO 22 Ca -0.14 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 2krr n PRO 22 Cb 0.42 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.09 0.54 4.57 -1.87 -3.30 114.58 114.61 2krr h GLU 23 Ca 0.00 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.90 2krr h GLU 23 Cb 0.18 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2krr h GLU 23 CO 0.00 0.00 -1.38 -0.07 -1.18 0.00 0.00 179.01 176.38 2krr h LEU 24 N 0.00 0.28 -0.78 1.64 3.38 -1.36 -3.34 115.31 115.14 2krr h LEU 24 Ca 0.00 -0.36 0.16 0.00 0.09 0.00 0.00 57.88 57.77 2krr h LEU 24 Cb 0.87 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.43 2krr h LEU 24 CO 0.00 1.30 0.28 0.11 0.09 0.00 0.00 178.44 180.22 2krr h LYS 25 N 0.05 0.37 0.43 1.13 1.57 -1.67 -1.30 116.57 117.16 2krr h LYS 25 Ca -0.18 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 2krr h LYS 25 Cb 1.96 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 34.16 2krr h LYS 25 CO 0.16 0.25 -0.45 1.15 -0.57 0.00 0.00 179.45 179.98 2krr h THR 26 N 0.39 0.10 -0.56 -0.16 2.02 -1.73 -1.39 112.91 111.58 2krr h THR 26 Ca 0.44 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.72 2krr h THR 26 Cb 0.73 0.10 -0.08 0.00 -1.74 0.00 0.00 68.15 67.17 2krr h THR 26 CO -0.46 0.00 0.14 1.23 0.37 0.00 0.00 175.52 176.80 2krr h GLY 27 N -0.90 0.72 0.43 2.16 0.00 -1.54 0.28 103.07 104.21 2krr h GLY 27 Ca -0.04 -0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.28 2krr h GLY 27 CO -0.07 -0.07 -0.13 -2.22 0.00 0.00 0.00 176.54 174.05 2krr h ILE 28 N 0.29 0.62 0.00 2.60 2.04 -0.99 -0.16 117.51 121.91 2krr h ILE 28 Ca 0.29 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.15 2krr h ILE 28 Cb 0.39 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2krr h ILE 28 CO -0.35 0.00 0.00 -1.28 0.00 0.00 0.00 178.15 176.52 2krr h SER 29 N -0.12 0.00 0.42 1.72 0.87 -0.65 -3.21 113.55 112.59 2krr h SER 29 Ca 0.11 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 2krr h SER 29 Cb 0.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2krr h SER 29 CO -0.27 0.00 -0.20 -0.78 -0.53 0.00 0.00 176.83 175.04 2krr h ASP 30 N 0.00 -0.48 -0.98 6.23 3.58 0.13 -1.71 116.42 123.18 2krr h ASP 30 Ca 0.00 -0.06 0.25 0.00 0.42 0.00 0.00 57.03 57.64 2krr h ASP 30 Cb 0.56 0.12 -0.07 0.00 1.72 0.00 0.00 39.33 41.66 2krr h ASP 30 CO 0.00 -0.05 0.65 1.62 -2.88 0.00 0.00 179.24 178.58 2krr h VAL 31 N -1.08 0.58 -0.03 2.25 3.04 -1.28 0.27 116.25 119.99 2krr h VAL 31 Ca -0.06 -0.11 -0.21 0.00 -1.01 0.00 0.00 66.70 65.32 2krr h VAL 31 Cb 0.51 0.24 -0.00 0.00 -2.01 0.00 0.00 31.29 30.02 2krr h VAL 31 CO 0.10 0.06 -0.85 -0.26 -1.01 0.00 0.00 177.57 175.60 2krr h PHE 32 N 0.32 0.55 0.00 3.17 0.04 -1.55 -3.11 116.94 116.36 2krr h PHE 32 Ca 0.52 -0.28 -0.01 0.00 2.80 0.00 0.00 57.97 61.00 2krr h PHE 32 Cb 1.46 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 39.54 2krr h PHE 32 CO -0.00 1.07 -0.05 0.00 -0.60 0.00 0.00 178.31 178.73 2krr h ALA 33 N 0.84 1.57 0.00 2.45 0.00 0.49 -0.02 119.26 124.58 2krr h ALA 33 Ca -0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2krr h ALA 33 Cb 1.47 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 2krr h ALA 33 CO 0.15 0.06 -0.24 1.57 0.00 0.00 0.00 179.25 180.79 2krr h LYS 34 N 0.00 0.00 -0.91 0.00 2.10 -1.39 -3.24 116.57 113.14 2krr h LYS 34 Ca -0.00 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.33 2krr h LYS 34 Cb 0.11 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 31.25 2krr h LYS 34 CO 0.01 0.06 0.41 0.09 -2.00 0.00 0.00 179.45 178.01 2krr n ASN 35 N -3.04 4.01 -2.26 7.07 3.02 -0.23 -4.86 115.26 118.96 2krr n ASN 35 Ca 0.03 -3.21 -0.20 0.00 -0.03 0.00 0.00 54.58 51.17 2krr n ASN 35 Cb 0.56 -0.75 -0.02 0.00 -0.61 0.00 0.00 39.78 38.95 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 -0.51 -5.66 -4.58 6.41 8.00 -1.20 -4.97 116.55 114.04 2krr n ASP 36 Ca 0.44 0.09 -0.34 0.00 0.71 0.00 0.00 54.79 55.69 2krr n ASP 36 Cb 1.38 -4.77 -0.11 0.00 -0.02 0.00 0.00 41.12 37.60 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 -5.76 3.25 -0.20 0.64 1.43 -0.19 -5.03 118.68 112.81 2krr s LEU 37 Ca 0.00 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2krr s LEU 37 Cb 0.00 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.52 2krr s LEU 37 CO 0.00 0.33 -0.16 0.00 0.23 0.00 0.00 176.35 176.75 2krr s ALA 38 N -0.59 2.46 0.09 4.21 0.00 -1.26 -3.27 121.76 123.39 2krr s ALA 38 Ca 0.09 -1.30 -0.01 0.00 0.00 0.00 0.00 51.96 50.74 2krr s ALA 38 Cb -0.12 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.61 2krr s ALA 38 CO 0.02 -0.51 0.26 0.14 0.00 0.00 0.00 175.76 175.67 2krr s VAL 39 N 1.29 5.33 -0.15 0.00 -7.23 -1.26 -3.57 120.40 114.81 2krr s VAL 39 Ca 0.03 -0.30 0.18 0.00 -1.81 0.00 0.00 61.98 60.07 2krr s VAL 39 Cb -0.14 -3.63 -0.25 0.00 0.56 0.00 0.00 36.38 32.91 2krr s VAL 39 CO -0.10 0.10 0.25 1.33 -0.31 0.00 0.00 175.10 176.37 2krr n VAL 40 N 0.19 1.26 -3.56 1.32 0.24 -0.29 -4.85 118.33 112.65 2krr n VAL 40 Ca -0.04 -0.80 -0.12 0.00 -2.04 0.00 0.00 64.34 61.33 2krr n VAL 40 Cb 0.51 -0.52 -0.05 0.00 -1.47 0.00 0.00 33.84 32.32 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 -5.50 -0.45 -0.05 -1.34 2.15 -1.24 -5.03 116.67 105.23 2krr s ASP 41 Ca -0.08 0.45 0.01 0.00 0.43 0.00 0.00 52.55 53.36 2krr s ASP 41 Cb 0.07 0.37 0.02 0.00 -0.30 0.00 0.00 42.92 43.08 2krr s ASP 41 CO 0.84 -0.44 -0.06 -0.69 -0.17 0.00 0.00 175.17 174.65 2krr s VAL 42 N -1.30 0.69 0.03 1.11 1.01 -1.26 -0.34 120.40 120.34 2krr s VAL 42 Ca -0.04 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.77 2krr s VAL 42 Cb -0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 2krr s VAL 42 CO 0.03 0.26 -0.06 -0.60 0.00 0.00 0.00 175.10 174.73 2krr s ARG 43 N 0.85 2.48 -0.02 2.72 6.06 0.21 -4.89 118.95 126.36 2krr s ARG 43 Ca -0.12 -0.79 0.05 0.00 -2.50 0.00 0.00 55.73 52.37 2krr s ARG 43 Cb -0.15 -2.48 -0.01 0.00 0.06 0.00 0.00 34.95 32.38 2krr s ARG 43 CO 0.01 0.58 -0.17 0.42 -2.50 0.00 0.00 175.30 173.64 2krr s ILE 44 N -1.08 1.35 0.45 4.11 1.09 -1.26 -0.38 121.20 125.46 2krr s ILE 44 Ca 0.19 -0.71 -0.07 0.00 -1.10 0.00 0.00 60.65 58.96 2krr s ILE 44 Cb -0.11 -1.14 0.11 0.00 -1.06 0.00 0.00 42.46 40.27 2krr s ILE 44 CO 0.10 0.38 0.33 0.61 -0.10 0.00 0.00 174.94 176.27 2krr n GLY 45 N 2.85 -3.10 0.09 6.18 0.00 0.80 -4.90 105.19 107.11 2krr n GLY 45 Ca -0.16 -1.37 -0.03 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 -0.00 1.61 -0.00 -1.97 -3.19 114.93 111.38 2krr h MET 46 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.57 2krr h MET 46 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.03 2krr h MET 46 CO 0.09 0.77 -0.20 -2.37 -0.00 0.00 0.00 176.91 175.19 2krr n THR 47 N -3.28 0.00 -1.38 -0.10 5.66 -1.26 -4.90 114.28 109.01 2krr n THR 47 Ca 0.00 -0.01 -0.13 0.00 -3.05 0.00 0.00 64.05 60.85 2krr n THR 47 Cb 0.86 -0.14 -0.06 0.00 -1.55 0.00 0.00 70.33 69.44 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 -1.37 -1.55 -0.00 1.09 3.00 -1.21 -4.68 116.66 111.93 2krr n ARG 48 Ca 0.08 0.96 0.10 0.00 -0.01 0.00 0.00 57.85 58.98 2krr n ARG 48 Cb 0.32 -5.32 -0.13 0.00 0.00 0.00 0.00 32.46 27.34 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 -1.35 0.37 -3.94 5.56 0.00 -1.26 -3.76 118.16 113.78 2krr n LYS 49 Ca -0.13 -0.04 -0.11 0.00 0.00 0.00 0.00 58.31 58.02 2krr n LYS 49 Cb 0.59 -1.47 -0.01 0.00 0.00 0.00 0.00 35.03 34.14 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 -3.04 0.51 -1.36 5.64 -0.71 -1.26 0.58 117.98 118.34 2krr s PHE 50 Ca 0.04 -0.97 0.00 0.00 -1.04 0.00 0.00 56.93 54.96 2krr s PHE 50 Cb 0.15 0.41 0.00 0.00 -1.21 0.00 0.00 43.02 42.37 2krr s PHE 50 CO 0.84 -1.34 0.00 0.41 -1.34 0.00 0.00 175.22 173.80 2krr n GLY 51 N -0.53 -0.66 3.08 1.99 0.00 -0.58 -0.14 105.19 108.34 2krr n GLY 51 Ca -0.04 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.62 0.56 -0.07 1.61 1.51 0.49 -0.70 117.35 117.13 2krr s TYR 52 Ca 0.00 -0.83 0.01 0.00 -1.01 0.00 0.00 57.07 55.24 2krr s TYR 52 Cb 0.00 -0.37 0.02 0.00 -0.11 0.00 0.00 41.96 41.50 2krr s TYR 52 CO 0.00 -0.24 -0.07 0.08 -1.11 0.00 0.00 175.55 174.20 2krr s VAL 53 N -2.92 0.83 -0.04 0.71 1.01 -0.45 -0.62 120.40 118.92 2krr s VAL 53 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 2krr s VAL 53 Cb 0.01 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 2krr s VAL 53 CO -0.05 0.30 0.12 -1.81 0.00 0.00 0.00 175.10 173.66 2krr s ASP 54 N 1.09 6.00 0.08 3.32 1.11 0.54 -1.24 116.67 127.57 2krr s ASP 54 Ca -0.07 0.28 0.08 0.00 0.18 0.00 0.00 52.55 53.02 2krr s ASP 54 Cb -0.14 -1.82 -0.03 0.00 1.07 0.00 0.00 42.92 41.99 2krr s ASP 54 CO -0.01 0.31 -0.21 -0.36 1.18 0.00 0.00 175.17 176.08 2krr s PHE 55 N -1.16 1.84 0.22 4.23 0.40 -0.46 -1.13 117.98 121.92 2krr s PHE 55 Ca 0.21 -0.40 -0.09 0.00 -0.60 0.00 0.00 56.93 56.06 2krr s PHE 55 Cb -0.12 -1.04 0.34 0.00 0.51 0.00 0.00 43.02 42.71 2krr s PHE 55 CO 0.12 0.17 1.70 0.93 0.70 0.00 0.00 175.22 178.83 2krr h GLU 56 N 4.37 0.24 0.00 0.44 5.08 -1.88 -3.40 114.58 119.44 2krr h GLU 56 Ca -0.45 -0.01 -0.46 0.00 -1.00 0.00 0.00 59.36 57.43 2krr h GLU 56 Cb 1.17 -0.06 -0.10 0.00 0.50 0.00 0.00 28.75 30.26 2krr h GLU 56 CO 0.41 0.16 -0.39 0.45 -1.00 0.00 0.00 179.01 178.64 2krr n SER 57 N -5.15 1.15 0.11 1.42 2.88 -1.26 -4.91 113.62 107.85 2krr n SER 57 Ca 0.10 -2.82 -0.02 0.00 -1.33 0.00 0.00 58.87 54.81 2krr n SER 57 Cb 0.36 0.88 -0.03 0.00 -0.75 0.00 0.00 64.21 64.67 2krr n SER 57 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2krr h ALA 58 N 1.57 0.55 0.48 -1.46 0.00 -1.96 -3.14 119.26 115.31 2krr h ALA 58 Ca -0.27 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 53.99 2krr h ALA 58 Cb 1.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2krr h ALA 58 CO 0.42 0.89 -0.46 0.93 0.00 0.00 0.00 179.25 181.02 2krr h GLU 59 N 0.00 -0.91 -0.38 0.00 5.08 -1.92 0.14 114.58 116.58 2krr h GLU 59 Ca -0.01 0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2krr h GLU 59 Cb 1.53 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.97 2krr h GLU 59 CO 0.09 -0.61 0.01 -0.44 -1.00 0.00 0.00 179.01 177.06 2krr h ASP 60 N -0.95 0.57 0.60 1.42 3.32 -1.95 0.48 116.42 119.91 2krr h ASP 60 Ca -0.05 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 2krr h ASP 60 Cb 0.83 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.23 2krr h ASP 60 CO -0.06 0.63 -0.34 0.25 -1.72 0.00 0.00 179.24 178.00 2krr h LEU 61 N 0.57 -0.85 -1.55 1.55 5.85 -1.40 -1.90 115.31 117.59 2krr h LEU 61 Ca 0.12 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 2krr h LEU 61 Cb 0.35 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2krr h LEU 61 CO 0.01 -0.54 -0.24 -0.33 -0.34 0.00 0.00 178.44 177.01 2krr h GLU 62 N -0.87 0.00 -0.53 1.25 4.39 -0.97 -2.83 114.58 115.02 2krr h GLU 62 Ca -0.08 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.65 2krr h GLU 62 Cb 0.69 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.30 2krr h GLU 62 CO 0.10 0.24 0.30 0.87 -1.16 0.00 0.00 179.01 179.36 2krr h LYS 63 N 0.00 0.57 -0.04 2.33 1.57 -0.68 -0.59 116.57 119.73 2krr h LYS 63 Ca -0.00 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2krr h LYS 63 Cb 0.44 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 2krr h LYS 63 CO 0.03 0.38 0.07 0.00 -0.57 0.00 0.00 179.45 179.36 2krr h ALA 64 N 1.26 1.42 -0.00 3.86 0.00 -1.08 0.29 119.26 125.01 2krr h ALA 64 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2krr h ALA 64 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2krr h ALA 64 CO -0.12 -0.09 -0.37 1.28 0.00 0.00 0.00 179.25 179.95 2krr n LEU 65 N -3.55 0.64 -0.13 0.00 4.77 -0.27 -4.23 117.00 114.23 2krr n LEU 65 Ca -0.02 -0.06 -0.25 0.00 -0.03 0.00 0.00 56.01 55.65 2krr n LEU 65 Cb 0.15 -0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 40.94 2krr n LEU 65 CO 0.24 0.14 -1.21 -0.62 -1.33 0.00 0.00 177.39 174.61 2krr n GLU 66 N -1.19 0.57 -0.51 3.23 -0.58 0.90 -5.00 120.64 118.05 2krr n GLU 66 Ca 0.08 0.29 -0.30 0.00 -0.42 0.00 0.00 57.16 56.82 2krr n GLU 66 Cb 0.34 -1.51 0.27 0.00 -0.57 0.00 0.00 31.44 29.97 2krr n GLU 66 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 2krr s LEU 67 N -7.63 -0.50 0.00 -4.62 0.05 -0.42 -5.07 118.68 100.49 2krr s LEU 67 Ca -0.36 0.94 0.04 0.00 0.05 0.00 0.00 54.13 54.81 2krr s LEU 67 Cb 0.12 -2.50 -0.02 0.00 -2.05 0.00 0.00 46.19 41.74 2krr s LEU 67 CO 0.48 -4.98 0.16 1.07 -0.55 0.00 0.00 176.35 172.53 2krr n THR 68 N -5.38 0.00 -2.59 5.48 5.66 -1.26 -4.94 114.28 111.25 2krr n THR 68 Ca 0.11 -1.94 -0.07 0.00 -3.05 0.00 0.00 64.05 59.09 2krr n THR 68 Cb 0.59 0.79 0.04 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 -0.32 0.08 3.20 1.09 0.00 -1.26 -5.02 105.19 102.96 2krr n GLY 69 Ca -0.01 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.91 4.55 0.05 0.99 1.43 -1.26 -5.04 118.68 115.49 2krr s LEU 70 Ca 0.02 -1.46 -0.02 0.00 -1.03 0.00 0.00 54.13 51.64 2krr s LEU 70 Cb -0.00 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2krr s LEU 70 CO 0.32 -0.39 -0.01 -1.59 0.23 0.00 0.00 176.35 174.90 2krr s LYS 71 N 1.29 0.61 -0.09 1.70 0.00 -1.26 -3.06 119.74 118.93 2krr s LYS 71 Ca 0.00 -1.15 -0.10 0.00 0.00 0.00 0.00 55.97 54.73 2krr s LYS 71 Cb -0.21 0.21 0.02 0.00 0.00 0.00 0.00 37.83 37.86 2krr s LYS 71 CO -0.00 -0.12 0.26 0.08 0.00 0.00 0.00 175.35 175.57 2krr s VAL 72 N -3.73 0.01 -1.34 1.79 1.01 0.10 -4.63 120.40 113.61 2krr s VAL 72 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.95 2krr s VAL 72 Cb 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 36.05 2krr s VAL 72 CO -0.09 -0.04 0.00 0.49 0.00 0.00 0.00 175.10 175.45 2krr n PHE 73 N 2.71 -1.23 0.00 5.22 3.72 -1.26 -1.56 117.46 125.06 2krr n PHE 73 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 2krr n PHE 73 Cb 0.58 -3.20 0.00 0.00 -0.94 0.00 0.00 39.48 35.92 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 -0.86 2.26 3.81 1.37 0.00 -1.26 -5.00 105.19 105.50 2krr n GLY 74 Ca -0.18 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 2krr n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2krr s ASN 75 N 0.00 6.08 -0.39 1.61 4.22 -0.60 -5.01 114.94 120.85 2krr s ASN 75 Ca 0.00 1.82 -0.21 0.00 -2.14 0.00 0.00 52.86 52.33 2krr s ASN 75 Cb 0.00 -2.54 0.01 0.00 1.28 0.00 0.00 41.25 40.00 2krr s ASN 75 CO 0.00 -0.96 0.66 -0.70 -2.04 0.00 0.00 177.10 174.06 2krr s GLU 76 N -3.79 3.55 0.68 3.55 2.12 -1.26 0.01 118.70 123.55 2krr s GLU 76 Ca 0.64 -0.06 -0.12 0.00 0.36 0.00 0.00 54.97 55.79 2krr s GLU 76 Cb -0.15 -3.86 0.00 0.00 0.26 0.00 0.00 34.13 30.38 2krr s GLU 76 CO 0.30 -0.86 1.07 0.96 -0.54 0.00 0.00 175.26 176.19 2krr s ILE 77 N 2.83 3.81 -0.01 -3.70 -5.25 -1.17 -4.82 121.20 112.89 2krr s ILE 77 Ca 0.25 0.67 0.02 0.00 -0.99 0.00 0.00 60.65 60.60 2krr s ILE 77 Cb -0.14 -3.30 -0.03 0.00 2.95 0.00 0.00 42.46 41.94 2krr s ILE 77 CO 0.17 -0.69 -0.04 -0.54 -1.79 0.00 0.00 174.94 172.05 2krr s LYS 78 N -4.72 2.69 -0.09 0.37 1.02 0.86 -4.81 119.74 115.05 2krr s LYS 78 Ca 0.60 -0.65 0.04 0.00 0.02 0.00 0.00 55.97 55.99 2krr s LYS 78 Cb -0.15 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.56 2krr s LYS 78 CO 0.50 0.62 -0.23 -0.51 -0.92 0.00 0.00 175.35 174.81 2krr s LEU 79 N -1.40 2.04 0.00 3.17 1.02 -1.26 -0.70 118.68 121.55 2krr s LEU 79 Ca 0.17 -0.53 -0.02 0.00 0.02 0.00 0.00 54.13 53.77 2krr s LEU 79 Cb -0.11 -1.34 0.01 0.00 0.02 0.00 0.00 46.19 44.77 2krr s LEU 79 CO 0.08 0.15 0.42 -0.62 0.02 0.00 0.00 176.35 176.40 2krr n GLU 80 N 3.53 0.60 -5.19 1.70 1.02 0.25 -4.99 120.64 117.56 2krr n GLU 80 Ca -0.19 -2.23 -0.29 0.00 -0.02 0.00 0.00 57.16 54.42 2krr n GLU 80 Cb 0.53 2.19 -0.16 0.00 -0.02 0.00 0.00 31.44 33.98 2krr n GLU 80 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2krr s LYS 81 N -2.60 1.95 0.11 3.49 -2.85 -1.26 -0.02 119.74 118.56 2krr s LYS 81 Ca 0.23 -0.85 -0.02 0.00 -1.00 0.00 0.00 55.97 54.32 2krr s LYS 81 Cb -0.01 -1.88 0.03 0.00 -2.06 0.00 0.00 37.83 33.91 2krr s LYS 81 CO 0.16 0.51 0.10 -0.35 0.10 0.00 0.00 175.35 175.87 2krr n PRO 82 N 2.50 -1.21 -0.73 1.78 -0.04 -1.26 -4.78 135.00 131.26 2krr n PRO 82 Ca -0.16 -0.16 -0.33 0.00 -0.04 0.00 0.00 63.50 62.82 2krr n PRO 82 Cb 0.52 -0.15 0.15 0.00 -0.04 0.00 0.00 33.50 33.98 2krr n PRO 82 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2krr n LYS 83 N -1.81 -1.12 -3.53 0.54 3.00 -1.26 -4.69 118.16 109.29 2krr n LYS 83 Ca 0.01 -0.30 0.00 0.00 -0.00 0.00 0.00 58.31 58.02 2krr n LYS 83 Cb 0.05 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 33.38 2krr n LYS 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2krr n GLY 84 N 1.96 -1.59 3.26 3.14 0.00 -1.26 -4.63 105.19 106.06 2krr n GLY 84 Ca 0.02 -1.08 0.03 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.40 0.11 0.00 1.61 0.00 -1.26 -3.95 119.74 114.84 2krr s LYS 85 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 55.97 56.24 2krr s LYS 85 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 37.83 37.99 2krr s LYS 85 CO 0.00 -0.04 0.00 -3.47 0.00 0.00 0.00 175.35 171.84 2krr n ASP 86 N 4.62 0.00 0.28 0.03 -0.08 -1.25 -4.80 116.55 115.34 2krr n ASP 86 Ca -0.08 -0.94 0.16 0.00 -1.51 0.00 0.00 54.79 52.43 2krr n ASP 86 Cb 0.55 0.00 0.80 0.00 2.34 0.00 0.00 41.12 44.81 2krr n ASP 86 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2krr h SER 87 N 0.00 0.00 0.04 1.67 4.64 -1.96 -2.24 113.55 115.70 2krr h SER 87 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2krr h SER 87 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2krr h SER 87 CO 0.00 0.07 0.00 0.11 -0.87 0.00 0.00 176.83 176.14 2krr h LYS 88 N 0.00 0.00 -0.37 4.77 1.79 -1.86 -2.06 116.57 118.84 2krr h LYS 88 Ca -0.00 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.58 2krr h LYS 88 Cb 0.36 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 2krr h LYS 88 CO 0.01 0.00 0.45 0.87 -1.08 0.00 0.00 179.45 179.69 2krr h LYS 89 N 0.00 0.00 0.07 3.15 1.57 -1.39 0.45 116.57 120.42 2krr h LYS 89 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2krr h LYS 89 Cb 0.02 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 2krr h LYS 89 CO 0.00 0.00 -0.47 1.49 -0.57 0.00 0.00 179.45 179.90 2krr h GLU 90 N 0.00 -0.62 0.00 3.15 4.81 -1.62 0.35 114.58 120.65 2krr h GLU 90 Ca 0.18 0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.26 2krr h GLU 90 Cb 1.06 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 2krr h GLU 90 CO -0.00 -0.41 -1.22 0.00 -0.73 0.00 0.00 179.01 176.64 2krr h ARG 91 N -0.64 0.00 0.00 1.92 2.47 -1.69 -3.27 114.38 113.16 2krr h ARG 91 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2krr h ARG 91 Cb 0.66 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.98 2krr h ARG 91 CO -0.28 0.47 0.00 -0.25 0.56 0.00 0.00 179.97 180.47 2krr n ASP 92 N -3.05 0.00 0.32 7.04 8.00 0.10 -3.16 116.55 125.80 2krr n ASP 92 Ca -0.07 0.13 0.20 0.00 0.71 0.00 0.00 54.79 55.76 2krr n ASP 92 Cb 0.87 -0.34 1.06 0.00 -0.02 0.00 0.00 41.12 42.69 2krr n ASP 92 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2krr h ALA 93 N 2.90 1.08 -1.15 2.24 0.00 -0.36 -2.49 119.26 121.48 2krr h ALA 93 Ca 0.00 0.00 0.34 0.00 0.00 0.00 0.00 54.91 55.25 2krr h ALA 93 Cb 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.91 2krr h ALA 93 CO 0.00 -0.08 0.73 0.07 0.00 0.00 0.00 179.25 179.97 2krr h ARG 94 N 0.00 0.25 -6.21 0.00 0.11 -1.83 -3.40 114.38 103.30 2krr h ARG 94 Ca 0.00 -0.02 -0.60 0.00 0.10 0.00 0.00 59.98 59.46 2krr h ARG 94 Cb 0.17 -0.06 -0.08 0.00 1.11 0.00 0.00 29.97 31.11 2krr h ARG 94 CO 0.00 0.17 -0.59 0.99 0.10 0.00 0.00 179.97 180.64 2krr s THR 95 N -5.43 4.44 0.08 0.08 2.01 -0.94 -1.62 115.64 114.26 2krr s THR 95 Ca -0.08 -0.97 0.08 0.00 0.31 0.00 0.00 61.69 61.03 2krr s THR 95 Cb 0.28 -3.20 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 2krr s THR 95 CO 0.81 -0.00 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.76 2krr s LEU 96 N -2.77 2.24 -0.10 4.42 2.01 0.11 -4.55 118.68 120.04 2krr s LEU 96 Ca 0.30 -0.62 -0.02 0.00 0.01 0.00 0.00 54.13 53.80 2krr s LEU 96 Cb -0.11 -0.96 -0.03 0.00 0.01 0.00 0.00 46.19 45.10 2krr s LEU 96 CO 0.22 0.12 -0.02 -0.22 1.01 0.00 0.00 176.35 177.45 2krr s LEU 97 N -1.59 3.40 -0.11 1.79 1.98 0.14 -0.82 118.68 123.48 2krr s LEU 97 Ca 0.08 0.03 -0.01 0.00 -2.89 0.00 0.00 54.13 51.34 2krr s LEU 97 Cb -0.09 -1.78 -0.03 0.00 0.66 0.00 0.00 46.19 44.95 2krr s LEU 97 CO 0.03 0.32 -0.04 0.00 -1.89 0.00 0.00 176.35 174.77 2krr s ALA 98 N -0.53 3.04 0.30 5.97 0.00 0.13 -0.29 121.76 130.39 2krr s ALA 98 Ca 0.09 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.24 2krr s ALA 98 Cb -0.12 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.57 2krr s ALA 98 CO 0.02 0.44 0.20 0.15 0.00 0.00 0.00 175.76 176.57 2krr s LYS 99 N -0.37 1.61 -0.75 0.00 -0.14 -0.85 -2.31 119.74 116.93 2krr s LYS 99 Ca 0.06 -1.92 0.00 0.00 -1.36 0.00 0.00 55.97 52.75 2krr s LYS 99 Cb -0.12 0.09 0.00 0.00 -1.68 0.00 0.00 37.83 36.12 2krr s LYS 99 CO 0.02 -0.52 0.00 -1.71 -0.76 0.00 0.00 175.35 172.38 2krr n ASN 100 N -1.07 -4.62 -4.78 2.83 5.15 -1.25 -2.28 115.26 109.24 2krr n ASN 100 Ca 0.03 0.18 -0.38 0.00 -0.60 0.00 0.00 54.58 53.81 2krr n ASN 100 Cb 0.64 -2.74 -0.06 0.00 -0.53 0.00 0.00 39.78 37.09 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 -1.61 4.47 0.72 1.20 1.43 -1.21 -4.57 118.68 119.11 2krr s LEU 101 Ca 0.00 1.68 -0.12 0.00 -1.03 0.00 0.00 54.13 54.65 2krr s LEU 101 Cb 0.00 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.65 2krr s LEU 101 CO 0.00 0.08 1.10 -2.16 0.23 0.00 0.00 176.35 175.60 2krr s PRO 102 N -1.61 2.49 0.20 1.29 0.04 -1.26 -4.36 135.00 131.78 2krr s PRO 102 Ca 0.42 1.26 0.18 0.00 0.04 0.00 0.00 61.00 62.90 2krr s PRO 102 Cb -0.21 -1.92 0.83 0.00 0.04 0.00 0.00 34.50 33.25 2krr s PRO 102 CO 0.25 -1.48 1.55 0.66 0.04 0.00 0.00 177.00 178.02 2krr n TYR 103 N -3.05 0.53 -0.62 0.56 4.01 -1.26 -1.18 117.16 116.15 2krr n TYR 103 Ca 0.10 0.24 0.07 0.00 -0.16 0.00 0.00 57.90 58.15 2krr n TYR 103 Cb 0.53 -0.88 0.23 0.00 -0.31 0.00 0.00 39.34 38.90 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 -2.01 3.02 -1.31 -0.72 2.85 -1.26 -3.24 118.16 115.49 2krr n LYS 104 Ca 0.01 -2.52 -0.31 0.00 -1.05 0.00 0.00 58.31 54.43 2krr n LYS 104 Cb 0.13 -1.62 0.09 0.00 -0.65 0.00 0.00 35.03 32.97 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 -1.98 3.30 0.02 0.58 0.11 -0.32 -5.07 120.40 117.04 2krr s VAL 105 Ca 0.35 0.44 -0.02 0.00 -2.93 0.00 0.00 61.98 59.83 2krr s VAL 105 Cb 0.25 -2.92 -0.02 0.00 -1.53 0.00 0.00 36.38 32.16 2krr s VAL 105 CO 0.13 -0.53 0.00 -0.89 -3.33 0.00 0.00 175.10 170.49 2krr s THR 106 N -2.83 0.12 0.27 5.04 2.01 -1.26 -4.91 115.64 114.08 2krr s THR 106 Ca 0.62 -1.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.58 2krr s THR 106 Cb -0.18 -0.51 0.32 0.00 0.01 0.00 0.00 72.50 72.15 2krr s THR 106 CO 0.54 -0.56 1.62 1.56 -0.69 0.00 0.00 174.62 177.10 2krr h GLN 107 N 4.31 0.10 -0.47 4.92 4.20 -1.98 0.27 115.11 126.46 2krr h GLN 107 Ca -0.32 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.38 2krr h GLN 107 Cb 1.20 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 2krr h GLN 107 CO 0.45 0.07 0.30 0.22 -0.67 0.00 0.00 178.83 179.20 2krr h ASP 108 N 0.10 0.56 -0.98 1.46 3.58 -1.96 0.11 116.42 119.29 2krr h ASP 108 Ca 0.49 -0.04 0.24 0.00 0.42 0.00 0.00 57.03 58.14 2krr h ASP 108 Cb 0.94 -0.14 -0.12 0.00 1.72 0.00 0.00 39.33 41.72 2krr h ASP 108 CO -0.73 0.43 0.55 -0.33 -2.88 0.00 0.00 179.24 176.28 2krr h GLU 109 N 0.63 0.53 0.00 0.28 5.08 -0.88 0.24 114.58 120.47 2krr h GLU 109 Ca 0.17 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.35 2krr h GLU 109 Cb -0.04 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2krr h GLU 109 CO -0.03 0.35 -1.08 -0.07 -1.00 0.00 0.00 179.01 177.18 2krr h LEU 110 N 0.55 0.00 -0.19 1.33 3.38 -1.09 -3.27 115.31 116.01 2krr h LEU 110 Ca 0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.59 2krr h LEU 110 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2krr h LEU 110 CO -0.48 0.58 0.00 2.29 0.09 0.00 0.00 178.44 180.92 2krr n LYS 111 N -3.03 0.05 0.13 1.13 2.85 0.76 -2.32 118.16 117.73 2krr n LYS 111 Ca -0.05 0.32 0.11 0.00 -1.05 0.00 0.00 58.31 57.64 2krr n LYS 111 Cb 0.81 -1.59 0.50 0.00 -0.65 0.00 0.00 35.03 34.10 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 -1.68 0.16 -0.07 -1.58 -0.58 -0.62 0.04 120.64 116.30 2krr n GLU 112 Ca 0.03 0.49 -0.15 0.00 -0.42 0.00 0.00 57.16 57.11 2krr n GLU 112 Cb 0.16 -1.87 -0.06 0.00 -0.57 0.00 0.00 31.44 29.11 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 -2.19 0.82 -1.47 2.62 0.24 -0.98 -4.67 118.33 112.70 2krr n VAL 113 Ca 0.01 -0.24 -0.27 0.00 -2.04 0.00 0.00 64.34 61.80 2krr n VAL 113 Cb 0.16 -1.52 0.10 0.00 -1.47 0.00 0.00 33.84 31.11 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 -3.48 2.84 0.33 6.34 1.16 -1.21 -4.66 117.46 118.78 2krr n PHE 114 Ca -0.28 -2.50 0.20 0.00 -1.87 0.00 0.00 57.45 52.99 2krr n PHE 114 Cb 0.72 -1.03 1.06 0.00 -1.61 0.00 0.00 39.48 38.63 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 1.75 0.00 0.00 3.97 4.81 -0.66 0.38 114.58 124.83 2krr h GLU 115 Ca 0.52 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.75 2krr h GLU 115 Cb 1.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.78 2krr h GLU 115 CO 1.20 0.00 -0.45 -3.47 -0.73 0.00 0.00 179.01 175.55 2krr n ASP 116 N -3.09 0.73 -4.25 1.04 2.03 -1.26 -4.93 116.55 106.82 2krr n ASP 116 Ca -0.02 0.24 -0.33 0.00 0.52 0.00 0.00 54.79 55.19 2krr n ASP 116 Cb 0.19 -0.10 0.14 0.00 -0.72 0.00 0.00 41.12 40.63 2krr n ASP 116 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2krr n ALA 117 N -1.81 -4.19 0.21 -1.67 0.00 0.13 -4.95 120.51 108.23 2krr n ALA 117 Ca 0.04 -1.18 -0.09 0.00 0.00 0.00 0.00 53.44 52.21 2krr n ALA 117 Cb 0.44 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.82 -0.68 -2.58 0.00 0.00 -1.84 -3.48 119.26 108.85 2krr h ALA 118 Ca -0.50 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.11 2krr h ALA 118 Cb 1.35 0.22 -0.14 0.00 0.00 0.00 0.00 17.79 19.22 2krr h ALA 118 CO 0.35 -0.64 -0.51 -1.83 0.00 0.00 0.00 179.25 176.62 2krr s GLU 119 N -3.50 1.15 -0.00 0.00 -1.05 -0.62 -5.04 118.70 109.64 2krr s GLU 119 Ca -0.08 -1.44 0.02 0.00 -0.15 0.00 0.00 54.97 53.32 2krr s GLU 119 Cb 0.01 0.31 -0.01 0.00 -0.44 0.00 0.00 34.13 34.00 2krr s GLU 119 CO 0.25 -0.39 -0.08 0.42 0.95 0.00 0.00 175.26 176.41 2krr s ILE 120 N -4.07 0.62 -0.20 1.83 1.09 -1.26 -2.43 121.20 116.77 2krr s ILE 120 Ca 0.28 -0.37 -0.05 0.00 -1.10 0.00 0.00 60.65 59.41 2krr s ILE 120 Cb 0.06 -0.53 0.07 0.00 -1.06 0.00 0.00 42.46 41.00 2krr s ILE 120 CO 0.06 0.15 0.11 -0.13 -0.10 0.00 0.00 174.94 175.03 2krr s ARG 121 N -0.26 0.10 0.16 2.79 1.81 0.96 -4.98 118.95 119.53 2krr s ARG 121 Ca 0.02 -0.19 -0.13 0.00 -1.72 0.00 0.00 55.73 53.72 2krr s ARG 121 Cb -0.03 -1.63 -0.07 0.00 -0.45 0.00 0.00 34.95 32.77 2krr s ARG 121 CO -0.00 -0.76 0.53 -1.17 -0.68 0.00 0.00 175.30 173.22 2krr s LEU 122 N 2.14 4.29 -0.13 2.53 2.96 -1.26 0.15 118.68 129.36 2krr s LEU 122 Ca 0.04 1.01 -0.04 0.00 -0.22 0.00 0.00 54.13 54.92 2krr s LEU 122 Cb -0.16 -3.35 -0.03 0.00 0.50 0.00 0.00 46.19 43.15 2krr s LEU 122 CO -0.16 0.06 0.00 -0.69 -1.32 0.00 0.00 176.35 174.24 2krr s VAL 123 N -1.55 4.29 -0.23 1.68 1.01 -1.06 -4.91 120.40 119.63 2krr s VAL 123 Ca 0.40 -0.23 -0.19 0.00 0.00 0.00 0.00 61.98 61.95 2krr s VAL 123 Cb -0.14 -2.87 0.06 0.00 0.00 0.00 0.00 36.38 33.44 2krr s VAL 123 CO 0.20 0.53 0.60 -0.94 0.00 0.00 0.00 175.10 175.48 2krr s SER 124 N -0.13 -0.65 0.10 3.32 1.04 -1.26 -3.23 113.70 112.89 2krr s SER 124 Ca 0.04 1.22 0.03 0.00 0.48 0.00 0.00 55.95 57.72 2krr s SER 124 Cb -0.13 1.21 -0.04 0.00 0.10 0.00 0.00 66.02 67.16 2krr s SER 124 CO 0.02 -0.21 -0.08 -0.75 0.98 0.00 0.00 173.24 173.19 2krr s LYS 125 N 0.54 0.85 -1.90 4.02 2.20 0.86 -4.78 119.74 121.53 2krr s LYS 125 Ca -0.02 -1.25 0.00 0.00 -0.36 0.00 0.00 55.97 54.34 2krr s LYS 125 Cb -0.05 -0.40 0.00 0.00 -1.51 0.00 0.00 37.83 35.88 2krr s LYS 125 CO -0.02 0.04 0.00 -3.47 -0.36 0.00 0.00 175.35 171.53 2krr n ASP 126 N 0.26 -5.19 -0.10 1.43 2.03 -1.26 -1.26 116.55 112.46 2krr n ASP 126 Ca -0.14 0.42 -0.01 0.00 0.52 0.00 0.00 54.79 55.58 2krr n ASP 126 Cb 0.59 -4.28 -0.01 0.00 -0.72 0.00 0.00 41.12 36.70 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 -0.76 0.49 3.21 0.27 0.00 -1.26 -5.02 105.19 102.12 2krr n GLY 127 Ca -0.18 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.85 0.89 0.35 1.61 -0.14 -0.39 -5.15 119.74 115.07 2krr s LYS 128 Ca 0.00 -1.14 -0.26 0.00 -1.36 0.00 0.00 55.97 53.21 2krr s LYS 128 Cb 0.00 0.31 -0.09 0.00 -1.68 0.00 0.00 37.83 36.37 2krr s LYS 128 CO 0.00 -0.28 1.05 0.45 -0.76 0.00 0.00 175.35 175.81 2krr s SER 129 N -2.93 6.98 0.18 2.83 0.15 -1.20 -0.10 113.70 119.61 2krr s SER 129 Ca 0.12 2.09 0.22 0.00 0.70 0.00 0.00 55.95 59.08 2krr s SER 129 Cb 0.05 -2.60 -0.03 0.00 -1.71 0.00 0.00 66.02 61.73 2krr s SER 129 CO -0.06 -0.33 0.99 0.29 1.20 0.00 0.00 173.24 175.32 2krr n LYS 130 N 0.41 0.61 0.00 5.44 5.02 -1.20 -4.71 118.16 123.72 2krr n LYS 130 Ca 0.03 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 2krr n LYS 130 Cb 0.48 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 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 1.19 1.35 3.06 0.72 0.00 -1.26 -4.98 105.19 105.27 2krr n GLY 131 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2krr n GLY 131 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2krr s ILE 132 N -2.00 0.15 -0.22 -0.61 -4.36 -1.26 -3.31 121.20 109.59 2krr s ILE 132 Ca 0.00 -1.21 -0.08 0.00 -0.26 0.00 0.00 60.65 59.11 2krr s ILE 132 Cb 0.00 -0.82 0.10 0.00 1.25 0.00 0.00 42.46 42.98 2krr s ILE 132 CO 0.00 -0.66 0.46 0.00 0.24 0.00 0.00 174.94 174.98 2krr s ALA 133 N -2.52 -1.32 0.09 2.27 0.00 -0.98 -2.56 121.76 116.74 2krr s ALA 133 Ca -0.06 1.67 -0.17 0.00 0.00 0.00 0.00 51.96 53.40 2krr s ALA 133 Cb -0.02 -1.39 -0.07 0.00 0.00 0.00 0.00 23.12 21.64 2krr s ALA 133 CO -0.05 -0.76 0.54 0.71 0.00 0.00 0.00 175.76 176.20 2krr s TYR 134 N 2.61 3.73 -0.05 0.00 2.02 0.12 -0.69 117.35 125.08 2krr s TYR 134 Ca -0.03 1.16 0.02 0.00 -0.37 0.00 0.00 57.07 57.85 2krr s TYR 134 Cb -0.12 -2.42 0.02 0.00 -0.40 0.00 0.00 41.96 39.04 2krr s TYR 134 CO -0.14 0.54 -0.07 0.96 -1.57 0.00 0.00 175.55 175.27 2krr s ILE 135 N -1.23 0.76 -0.48 2.71 -0.00 0.00 -0.03 121.20 122.94 2krr s ILE 135 Ca 0.31 -0.26 -0.16 0.00 -0.00 0.00 0.00 60.65 60.54 2krr s ILE 135 Cb -0.18 -0.74 0.08 0.00 -0.00 0.00 0.00 42.46 41.62 2krr s ILE 135 CO 0.18 0.27 0.42 -0.70 -0.00 0.00 0.00 174.94 175.12 2krr s GLU 136 N 0.81 2.99 0.87 0.37 2.12 -1.02 0.07 118.70 124.91 2krr s GLU 136 Ca -0.12 -1.39 -0.13 0.00 0.36 0.00 0.00 54.97 53.69 2krr s GLU 136 Cb -0.15 -4.16 0.12 0.00 0.26 0.00 0.00 34.13 30.20 2krr s GLU 136 CO 0.01 -1.08 1.20 -0.06 -0.54 0.00 0.00 175.26 174.79 2krr s PHE 137 N 1.68 2.55 0.13 5.30 0.40 -0.64 -1.58 117.98 125.81 2krr s PHE 137 Ca 0.04 0.68 0.03 0.00 -0.60 0.00 0.00 56.93 57.08 2krr s PHE 137 Cb -0.25 -3.60 -0.15 0.00 0.51 0.00 0.00 43.02 39.53 2krr s PHE 137 CO 0.06 -2.11 1.28 0.87 0.70 0.00 0.00 175.22 176.02 2krr h LYS 138 N -1.29 0.12 -2.70 0.44 6.56 -1.93 -3.44 116.57 114.32 2krr h LYS 138 Ca -0.47 -0.18 -0.11 0.00 -1.06 0.00 0.00 60.65 58.84 2krr h LYS 138 Cb 1.31 0.06 -0.21 0.00 -0.57 0.00 0.00 32.23 32.82 2krr h LYS 138 CO 0.59 1.03 -0.16 -0.08 -2.06 0.00 0.00 179.45 178.77 2krr s THR 139 N -2.86 0.02 0.59 -0.16 -1.32 -1.26 -5.02 115.64 105.63 2krr s THR 139 Ca -0.01 -0.19 0.28 0.00 -1.21 0.00 0.00 61.69 60.56 2krr s THR 139 Cb 0.09 -0.68 0.37 0.00 -1.51 0.00 0.00 72.50 70.77 2krr s THR 139 CO 0.84 -0.10 2.01 -0.33 -2.21 0.00 0.00 174.62 174.82 2krr h GLU 140 N 4.41 0.00 -0.06 7.08 5.08 -1.83 0.20 114.58 129.46 2krr h GLU 140 Ca -0.28 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.92 2krr h GLU 140 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2krr h GLU 140 CO 0.32 0.00 -0.67 0.00 -1.00 0.00 0.00 179.01 177.66 2krr h ALA 141 N 1.64 0.76 0.00 3.43 0.00 -1.95 0.36 119.26 123.50 2krr h ALA 141 Ca 0.15 -0.58 -0.16 0.00 0.00 0.00 0.00 54.91 54.31 2krr h ALA 141 Cb 0.80 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2krr h ALA 141 CO -0.00 0.77 -1.01 0.22 0.00 0.00 0.00 179.25 179.23 2krr h ASP 142 N 0.18 0.00 0.00 0.00 3.58 -1.08 -3.12 116.42 115.97 2krr h ASP 142 Ca -0.02 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 2krr h ASP 142 Cb 1.20 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.25 2krr h ASP 142 CO 0.10 0.65 -0.18 0.00 -2.88 0.00 0.00 179.24 176.94 2krr h ALA 143 N 1.35 0.00 -0.26 -0.78 0.00 -1.08 -1.84 119.26 116.65 2krr h ALA 143 Ca -0.09 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.70 2krr h ALA 143 Cb 1.57 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 2krr h ALA 143 CO 0.07 0.17 0.27 1.05 0.00 0.00 0.00 179.25 180.81 2krr h GLU 144 N -1.00 0.00 0.00 0.00 -0.00 -1.11 -1.74 114.58 110.73 2krr h GLU 144 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 59.27 2krr h GLU 144 Cb 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.95 2krr h GLU 144 CO -0.00 0.00 -0.52 -0.22 -0.00 0.00 0.00 179.01 178.26 2krr h LYS 145 N 0.00 0.00 -0.56 1.06 3.64 -1.67 -3.34 116.57 115.70 2krr h LYS 145 Ca 0.12 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.67 2krr h LYS 145 Cb 0.66 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 2krr h LYS 145 CO -0.00 0.73 0.55 1.15 -2.27 0.00 0.00 179.45 179.61 2krr h THR 146 N -1.00 0.38 -0.04 1.00 2.02 -0.85 -0.96 112.91 113.46 2krr h THR 146 Ca -0.13 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.07 2krr h THR 146 Cb 0.91 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 2krr h THR 146 CO -0.08 0.00 -0.48 0.15 0.37 0.00 0.00 175.52 175.49 2krr h PHE 147 N 0.00 -1.41 0.00 3.16 3.57 -1.45 0.25 116.94 121.06 2krr h PHE 147 Ca 0.27 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.81 2krr h PHE 147 Cb 1.37 0.62 0.00 0.00 2.79 0.00 0.00 35.95 40.73 2krr h PHE 147 CO 0.00 -0.50 -0.33 1.05 -2.23 0.00 0.00 178.31 176.30 2krr h GLU 148 N -0.57 0.00 0.00 1.11 4.11 -1.62 0.13 114.58 117.75 2krr h GLU 148 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 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 -0.34 0.00 0.00 0.93 0.07 0.00 0.00 179.01 179.67 2krr h GLU 149 N 0.00 0.00 0.00 1.06 5.08 -0.60 -3.30 114.58 116.82 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 -0.93 1.63 -1.00 0.00 0.00 179.01 178.71 2krr n LYS 150 N -2.78 2.90 -1.54 2.33 4.76 0.82 -5.00 118.16 119.64 2krr n LYS 150 Ca 0.03 0.00 -0.51 0.00 -2.87 0.00 0.00 58.31 54.96 2krr n LYS 150 Cb 0.36 -0.97 -0.05 0.00 -1.84 0.00 0.00 35.03 32.54 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 -1.77 0.79 0.00 1.97 7.27 0.47 -3.18 117.38 122.93 2krr n GLN 151 Ca 0.00 0.28 0.00 0.00 0.07 0.00 0.00 57.00 57.35 2krr n GLN 151 Cb 0.35 -1.73 0.00 0.00 2.41 0.00 0.00 30.24 31.27 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 1.96 0.92 3.78 1.69 0.00 -1.26 -4.94 105.19 107.33 2krr n GLY 152 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 3.16 -0.10 2.61 -1.32 -1.19 -4.99 115.64 111.80 2krr s THR 153 Ca 0.00 0.38 0.03 0.00 -1.21 0.00 0.00 61.69 60.89 2krr s THR 153 Cb 0.00 -3.04 -0.01 0.00 -1.51 0.00 0.00 72.50 67.95 2krr s THR 153 CO 0.00 -0.49 -0.20 -1.61 -2.21 0.00 0.00 174.62 170.11 2krr s GLU 154 N -5.06 3.04 -0.06 7.08 2.02 -1.26 -3.46 118.70 121.01 2krr s GLU 154 Ca 0.61 -0.81 -0.02 0.00 0.02 0.00 0.00 54.97 54.77 2krr s GLU 154 Cb -0.15 -2.39 0.04 0.00 0.10 0.00 0.00 34.13 31.73 2krr s GLU 154 CO 0.55 0.25 0.12 0.42 0.02 0.00 0.00 175.26 176.62 2krr s ILE 155 N 0.20 -0.08 -1.78 -1.63 1.09 0.10 -4.82 121.20 114.28 2krr s ILE 155 Ca -0.12 0.22 0.00 0.00 -1.10 0.00 0.00 60.65 59.65 2krr s ILE 155 Cb -0.16 -0.21 0.00 0.00 -1.06 0.00 0.00 42.46 41.03 2krr s ILE 155 CO 0.07 0.09 0.00 -0.67 -0.10 0.00 0.00 174.94 174.33 2krr n ASP 156 N 4.40 -5.03 0.00 3.58 2.03 -1.26 -1.77 116.55 118.49 2krr n ASP 156 Ca -0.23 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.48 2krr n ASP 156 Cb 0.51 -4.02 0.00 0.00 -0.72 0.00 0.00 41.12 36.89 2krr n ASP 156 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2krr n GLY 157 N -0.91 3.04 3.08 0.27 0.00 -1.26 -5.03 105.19 104.38 2krr n GLY 157 Ca -0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.51 0.35 -3.95 1.61 1.85 -0.73 -5.06 116.66 110.23 2krr n ARG 158 Ca 0.00 -2.30 -0.34 0.00 -1.00 0.00 0.00 57.85 54.21 2krr n ARG 158 Cb 0.00 -0.37 -0.14 0.00 -1.05 0.00 0.00 32.46 30.90 2krr n ARG 158 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2krr s SER 159 N -4.04 4.79 0.32 2.89 0.01 -1.26 0.02 113.70 116.43 2krr s SER 159 Ca 0.50 -1.34 -0.28 0.00 1.31 0.00 0.00 55.95 56.15 2krr s SER 159 Cb -0.03 -1.67 -0.09 0.00 0.21 0.00 0.00 66.02 64.43 2krr s SER 159 CO 0.33 -0.25 1.11 0.27 0.41 0.00 0.00 173.24 175.10 2krr s ILE 160 N 1.21 3.45 0.23 1.44 -4.36 -1.22 -4.92 121.20 117.02 2krr s ILE 160 Ca -0.06 1.36 0.10 0.00 -0.26 0.00 0.00 60.65 61.79 2krr s ILE 160 Cb -0.20 -3.82 -0.04 0.00 1.25 0.00 0.00 42.46 39.65 2krr s ILE 160 CO -0.02 0.25 -0.07 -0.44 0.24 0.00 0.00 174.94 174.89 2krr s SER 161 N -1.03 4.27 0.03 4.36 0.01 -0.97 -4.37 113.70 116.00 2krr s SER 161 Ca 0.49 -0.67 0.05 0.00 1.31 0.00 0.00 55.95 57.13 2krr s SER 161 Cb -0.30 -0.71 -0.02 0.00 0.21 0.00 0.00 66.02 65.20 2krr s SER 161 CO 0.39 0.05 -0.15 -0.22 0.41 0.00 0.00 173.24 173.72 2krr s LEU 162 N -3.26 2.14 0.32 2.44 2.96 -1.26 -2.01 118.68 120.01 2krr s LEU 162 Ca 0.28 -0.42 -0.04 0.00 -0.22 0.00 0.00 54.13 53.74 2krr s LEU 162 Cb -0.07 -0.68 -0.00 0.00 0.50 0.00 0.00 46.19 45.94 2krr s LEU 162 CO 0.17 0.08 0.46 -0.31 -1.32 0.00 0.00 176.35 175.43 2krr s TYR 163 N -0.72 0.97 0.11 5.38 2.02 0.61 -4.96 117.35 120.75 2krr s TYR 163 Ca 0.03 -1.22 0.10 0.00 -0.37 0.00 0.00 57.07 55.62 2krr s TYR 163 Cb -0.07 -0.07 -0.04 0.00 -0.40 0.00 0.00 41.96 41.38 2krr s TYR 163 CO 0.01 -1.09 -0.27 1.52 -1.57 0.00 0.00 175.55 174.15 2krr s TYR 164 N -3.25 2.32 -0.20 2.71 -0.85 -1.26 0.26 117.35 117.08 2krr s TYR 164 Ca 0.30 -0.38 -0.14 0.00 -0.52 0.00 0.00 57.07 56.32 2krr s TYR 164 Cb -0.00 -1.29 0.06 0.00 0.38 0.00 0.00 41.96 41.11 2krr s TYR 164 CO 0.18 0.29 0.51 -0.08 -1.52 0.00 0.00 175.55 174.93 2krr s THR 165 N -1.00 -0.01 -0.49 -3.49 -1.32 -1.26 -4.91 115.64 103.17 2krr s THR 165 Ca 0.14 0.03 0.06 0.00 -1.21 0.00 0.00 61.69 60.71 2krr s THR 165 Cb -0.10 -0.74 0.18 0.00 -1.51 0.00 0.00 72.50 70.33 2krr s THR 165 CO 0.05 0.01 0.63 -0.83 -2.21 0.00 0.00 174.62 172.27 2krr s GLY 166 N 0.97 -0.67 0.87 6.08 0.00 -1.25 -4.82 107.32 108.49 2krr s GLY 166 Ca -0.06 -0.87 -0.15 0.00 0.00 0.00 0.00 44.72 43.65 2krr s GLY 166 CO -0.08 3.29 0.07 -1.84 0.00 0.00 0.00 173.10 174.54 2krr n GLU 167 N 3.02 -0.03 -1.24 2.90 0.28 -1.26 -3.32 120.64 120.98 2krr n GLU 167 Ca 0.20 0.02 -0.31 0.00 -0.16 0.00 0.00 57.16 56.92 2krr n GLU 167 Cb 0.54 -1.55 0.11 0.00 1.43 0.00 0.00 31.44 31.96 2krr n GLU 167 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2krr s PRO 168 N -2.76 1.94 -0.60 3.44 0.04 -1.26 -4.76 135.00 131.03 2krr s PRO 168 Ca 0.55 1.06 0.02 0.00 0.04 0.00 0.00 61.00 62.66 2krr s PRO 168 Cb -0.26 -1.87 0.40 0.00 0.04 0.00 0.00 34.50 32.81 2krr s PRO 168 CO 0.69 -1.84 1.59 1.63 0.04 0.00 0.00 177.00 179.12 2krr n LYS 169 N -3.64 3.10 -2.29 4.56 5.02 -1.26 -4.87 118.16 118.78 2krr n LYS 169 Ca 0.08 -3.92 -0.13 0.00 -2.02 0.00 0.00 58.31 52.32 2krr n LYS 169 Cb 0.54 -2.27 -0.01 0.00 -0.02 0.00 0.00 35.03 33.27 2krr n LYS 169 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2krr n GLY 170 N -0.60 -0.25 0.21 0.72 0.00 -1.26 -4.84 105.19 99.18 2krr n GLY 170 Ca 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.98 -3.38 114.58 115.63 2krr h GLU 171 Ca -0.31 -0.33 -0.03 0.00 0.07 0.00 0.00 59.36 58.76 2krr h GLU 171 Cb 1.18 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 2krr h GLU 171 CO 0.37 0.94 -0.56 0.41 0.07 0.00 0.00 179.01 180.24 2krr n GLY 172 N 0.05 0.60 0.09 1.06 0.00 -1.26 -4.89 105.19 100.82 2krr n GLY 172 Ca -0.03 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 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 0.16 -0.06 0.00 0.99 3.38 -1.96 -3.54 115.31 114.28 2krr h LEU 173 Ca -0.04 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.36 2krr h LEU 173 Cb 1.46 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2krr h LEU 173 CO 0.01 0.60 0.00 -1.84 0.09 0.00 0.00 178.44 177.30