#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krr h THR 2 N 0.00 0.56 0.00 2.61 1.35 -2.05 -3.47 112.91 111.91 2krr h THR 2 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2krr h THR 2 Cb 0.00 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 66.98 2krr h THR 2 CO 0.00 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.65 2krr n GLU 3 N -5.31 0.00 -2.26 4.72 -0.58 -1.26 -5.15 120.64 110.80 2krr n GLU 3 Ca -0.04 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.33 2krr n GLU 3 Cb 0.23 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.09 2krr n GLU 3 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2krr s PRO 4 N -1.88 3.77 -0.04 3.49 0.04 -1.26 -4.84 135.00 134.28 2krr s PRO 4 Ca 0.00 1.78 0.05 0.00 0.04 0.00 0.00 61.00 62.87 2krr s PRO 4 Cb 0.00 -2.42 -0.08 0.00 0.04 0.00 0.00 34.50 32.05 2krr s PRO 4 CO 0.00 -0.55 0.06 -2.37 0.04 0.00 0.00 177.00 174.19 2krr n THR 5 N -0.47 0.25 -4.54 1.26 5.66 -1.26 -5.05 114.28 110.13 2krr n THR 5 Ca 0.07 -0.20 -0.31 0.00 -3.05 0.00 0.00 64.05 60.55 2krr n THR 5 Cb 0.48 -0.41 -0.05 0.00 -1.55 0.00 0.00 70.33 68.80 2krr n THR 5 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 2krr n THR 6 N -2.03 0.00 0.34 1.09 5.66 -1.26 -5.05 114.28 113.03 2krr n THR 6 Ca -0.06 -2.37 0.11 0.00 -3.05 0.00 0.00 64.05 58.68 2krr n THR 6 Cb 0.49 0.35 -0.01 0.00 -1.55 0.00 0.00 70.33 69.61 2krr n THR 6 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2krr n ALA 7 N -1.49 3.04 -2.51 1.79 0.00 -1.26 -4.83 120.51 115.24 2krr n ALA 7 Ca -0.20 -0.37 -0.43 0.00 0.00 0.00 0.00 53.44 52.44 2krr n ALA 7 Cb 0.65 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 19.10 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 -3.30 2.64 0.08 0.00 0.08 -1.26 -4.98 117.98 111.24 2krr s PHE 8 Ca 0.01 0.66 -0.16 0.00 0.12 0.00 0.00 56.93 57.55 2krr s PHE 8 Cb 0.13 -4.42 0.03 0.00 -0.57 0.00 0.00 43.02 38.19 2krr s PHE 8 CO 0.82 -1.55 0.37 -0.80 -0.10 0.00 0.00 175.22 173.95 2krr s ASN 9 N 3.06 -0.20 0.03 1.36 -0.87 -1.26 -1.23 114.94 115.83 2krr s ASN 9 Ca 0.52 -0.20 -0.05 0.00 -1.57 0.00 0.00 52.86 51.56 2krr s ASN 9 Cb -0.09 0.42 -0.01 0.00 -0.02 0.00 0.00 41.25 41.55 2krr s ASN 9 CO 0.31 -0.72 0.07 -1.48 -2.57 0.00 0.00 177.10 172.71 2krr s LEU 10 N -2.36 1.89 -0.09 0.60 0.05 -0.53 -4.81 118.68 113.42 2krr s LEU 10 Ca -0.02 -0.53 -0.24 0.00 0.05 0.00 0.00 54.13 53.39 2krr s LEU 10 Cb 0.01 0.51 -0.03 0.00 -2.05 0.00 0.00 46.19 44.63 2krr s LEU 10 CO -0.07 -0.47 0.75 0.12 -0.55 0.00 0.00 176.35 176.13 2krr s PHE 11 N -2.42 3.53 0.29 3.48 2.19 0.11 -1.49 117.98 123.66 2krr s PHE 11 Ca -0.07 1.27 0.10 0.00 0.33 0.00 0.00 56.93 58.56 2krr s PHE 11 Cb -0.02 -2.88 -0.05 0.00 -1.31 0.00 0.00 43.02 38.75 2krr s PHE 11 CO -0.04 -0.02 -0.03 0.14 1.83 0.00 0.00 175.22 177.10 2krr s VAL 12 N 1.22 3.03 0.33 3.12 -7.23 0.91 0.11 120.40 121.89 2krr s VAL 12 Ca 0.38 -2.02 -0.06 0.00 -1.81 0.00 0.00 61.98 58.47 2krr s VAL 12 Cb -0.18 -2.72 0.01 0.00 0.56 0.00 0.00 36.38 34.05 2krr s VAL 12 CO 0.17 -0.33 0.51 -0.83 -0.31 0.00 0.00 175.10 174.31 2krr s GLY 13 N -3.66 1.18 -1.15 2.32 0.00 0.98 -1.41 107.32 105.58 2krr s GLY 13 Ca 0.32 -1.31 -0.12 0.00 0.00 0.00 0.00 44.72 43.62 2krr s GLY 13 CO 0.19 -0.85 0.81 -2.01 0.00 0.00 0.00 173.10 171.24 2krr n ASN 14 N -1.21 -4.76 -1.18 1.64 5.15 0.12 0.05 115.26 115.07 2krr n ASN 14 Ca -0.01 -0.88 0.11 0.00 -0.60 0.00 0.00 54.58 53.21 2krr n ASN 14 Cb 0.61 -4.10 0.24 0.00 -0.53 0.00 0.00 39.78 36.01 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 -3.91 3.57 -1.22 1.20 4.77 -0.52 -3.11 117.00 117.78 2krr n LEU 15 Ca -0.13 -1.66 0.00 0.00 -0.03 0.00 0.00 56.01 54.18 2krr n LEU 15 Cb 0.62 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2krr n LEU 15 CO 0.65 0.81 -0.35 -3.20 -1.33 0.00 0.00 177.39 173.98 2krr n ASN 16 N 1.49 -6.84 -3.59 -1.43 5.15 -1.25 -4.87 115.26 103.93 2krr n ASN 16 Ca 0.20 0.95 -0.30 0.00 -0.60 0.00 0.00 54.58 54.83 2krr n ASN 16 Cb 0.60 -3.41 -0.07 0.00 -0.53 0.00 0.00 39.78 36.37 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 -0.81 3.44 0.00 1.20 -1.74 -1.24 -4.48 117.46 113.83 2krr n PHE 17 Ca 0.00 -3.93 0.00 0.00 -0.56 0.00 0.00 57.45 52.96 2krr n PHE 17 Cb 0.00 -0.70 0.00 0.00 1.52 0.00 0.00 39.48 40.30 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 1.08 2.79 -4.58 5.98 3.02 -1.26 -5.07 115.26 117.22 2krr n ASN 18 Ca 0.28 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.61 2krr n ASN 18 Cb 0.39 0.09 0.11 0.00 -0.61 0.00 0.00 39.78 39.77 2krr n ASN 18 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2krr n LYS 19 N -1.96 -0.03 -0.83 3.52 4.76 -1.26 -5.10 118.16 117.26 2krr n LYS 19 Ca 0.00 -2.76 -0.30 0.00 -2.87 0.00 0.00 58.31 52.38 2krr n LYS 19 Cb 0.33 -0.61 0.26 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 -5.00 0.27 -0.02 4.39 0.01 -1.26 -4.91 113.70 107.18 2krr s SER 20 Ca 0.65 0.73 -0.18 0.00 1.31 0.00 0.00 55.95 58.47 2krr s SER 20 Cb -0.04 -1.04 -0.10 0.00 0.21 0.00 0.00 66.02 65.05 2krr s SER 20 CO 0.43 -4.53 0.79 0.00 0.41 0.00 0.00 173.24 170.34 2krr h ALA 21 N -2.86 -0.69 0.00 1.44 0.00 -1.98 -3.20 119.26 111.97 2krr h ALA 21 Ca -0.45 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2krr h ALA 21 Cb 1.31 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2krr h ALA 21 CO 0.33 -0.64 0.00 -0.35 0.00 0.00 0.00 179.25 178.59 2krr n PRO 22 N -5.06 0.13 0.13 0.00 -0.04 -1.26 -2.15 135.00 126.75 2krr n PRO 22 Ca -0.08 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 2krr n PRO 22 Cb 0.26 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.40 2krr n PRO 22 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2krr h GLU 23 N 0.00 0.00 0.13 0.54 4.57 -1.92 -3.31 114.58 114.59 2krr h GLU 23 Ca 0.00 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.88 2krr h GLU 23 Cb 0.18 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2krr h GLU 23 CO 0.00 0.00 -1.49 -0.07 -1.18 0.00 0.00 179.01 176.27 2krr h LEU 24 N 0.00 0.42 -0.91 1.64 3.38 -1.43 -3.34 115.31 115.07 2krr h LEU 24 Ca 0.00 -0.55 0.17 0.00 0.09 0.00 0.00 57.88 57.59 2krr h LEU 24 Cb 0.89 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.40 2krr h LEU 24 CO 0.00 1.46 0.49 0.11 0.09 0.00 0.00 178.44 180.59 2krr h LYS 25 N 0.07 0.63 0.63 1.13 1.57 -1.66 -1.40 116.57 117.53 2krr h LYS 25 Ca -0.23 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 2krr h LYS 25 Cb 2.02 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 34.18 2krr h LYS 25 CO 0.17 0.41 -0.43 1.15 -0.57 0.00 0.00 179.45 180.18 2krr h THR 26 N 0.65 0.13 -0.43 -0.16 2.02 -1.72 -1.53 112.91 111.86 2krr h THR 26 Ca 0.52 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.77 2krr h THR 26 Cb 0.79 0.13 -0.07 0.00 -1.74 0.00 0.00 68.15 67.27 2krr h THR 26 CO -0.39 0.00 0.03 1.23 0.37 0.00 0.00 175.52 176.76 2krr h GLY 27 N -1.02 0.46 0.31 2.16 0.00 -1.55 0.30 103.07 103.73 2krr h GLY 27 Ca -0.08 0.03 0.07 0.00 0.00 0.00 0.00 47.33 47.34 2krr h GLY 27 CO 0.05 -0.09 -0.11 -2.22 0.00 0.00 0.00 176.54 174.17 2krr h ILE 28 N 0.15 0.62 0.00 2.60 2.04 -1.14 0.52 117.51 122.30 2krr h ILE 28 Ca 0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.07 2krr h ILE 28 Cb 0.30 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2krr h ILE 28 CO -0.33 0.00 0.00 0.77 0.00 0.00 0.00 178.15 178.59 2krr h SER 29 N -0.05 0.00 0.46 1.72 4.64 -0.71 -3.19 113.55 116.42 2krr h SER 29 Ca 0.16 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 2krr h SER 29 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2krr h SER 29 CO -0.35 0.00 -0.22 -0.78 -0.87 0.00 0.00 176.83 174.61 2krr h ASP 30 N 0.00 -0.53 -0.84 4.97 3.58 0.17 -2.38 116.42 121.40 2krr h ASP 30 Ca 0.00 0.02 0.20 0.00 0.42 0.00 0.00 57.03 57.67 2krr h ASP 30 Cb 0.59 0.14 -0.12 0.00 1.72 0.00 0.00 39.33 41.66 2krr h ASP 30 CO 0.00 -0.15 0.29 1.62 -2.88 0.00 0.00 179.24 178.12 2krr h VAL 31 N -1.07 0.47 -0.64 2.25 3.04 -1.30 0.10 116.25 119.10 2krr h VAL 31 Ca -0.06 -0.11 -0.01 0.00 -1.01 0.00 0.00 66.70 65.50 2krr h VAL 31 Cb 0.48 0.11 -0.03 0.00 -2.01 0.00 0.00 31.29 29.84 2krr h VAL 31 CO 0.10 0.06 0.36 -0.26 -1.01 0.00 0.00 177.57 176.83 2krr h PHE 32 N 0.33 0.87 -0.19 3.17 0.04 -1.61 -1.74 116.94 117.80 2krr h PHE 32 Ca 0.50 -0.02 0.06 0.00 2.80 0.00 0.00 57.97 61.31 2krr h PHE 32 Cb 0.92 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 2krr h PHE 32 CO -0.20 0.61 0.23 0.00 -0.60 0.00 0.00 178.31 178.35 2krr h ALA 33 N 1.18 1.79 -0.00 2.45 0.00 -0.24 0.17 119.26 124.60 2krr h ALA 33 Ca 0.23 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 2krr h ALA 33 Cb 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2krr h ALA 33 CO -0.04 -0.33 -0.69 0.87 0.00 0.00 0.00 179.25 179.06 2krr h LYS 34 N 0.00 0.01 -0.95 0.00 1.57 -0.98 -3.05 116.57 113.18 2krr h LYS 34 Ca 0.09 -0.01 -0.35 0.00 -1.87 0.00 0.00 60.65 58.51 2krr h LYS 34 Cb 0.55 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.66 2krr h LYS 34 CO -0.00 0.70 0.44 0.09 -0.57 0.00 0.00 179.45 180.11 2krr n ASN 35 N -3.72 3.74 -2.12 0.86 3.02 0.45 -4.85 115.26 112.64 2krr n ASN 35 Ca -0.01 -3.18 -0.21 0.00 -0.03 0.00 0.00 54.58 51.15 2krr n ASN 35 Cb 0.68 -0.75 -0.03 0.00 -0.61 0.00 0.00 39.78 39.07 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 -0.60 -5.76 -4.53 6.41 8.00 -1.15 -4.96 116.55 113.96 2krr n ASP 36 Ca 0.43 0.14 -0.36 0.00 0.71 0.00 0.00 54.79 55.72 2krr n ASP 36 Cb 1.36 -4.86 -0.11 0.00 -0.02 0.00 0.00 41.12 37.48 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 -5.57 3.61 -0.16 0.64 1.43 -0.30 -5.00 118.68 113.34 2krr s LEU 37 Ca 0.00 -0.09 -0.05 0.00 -1.03 0.00 0.00 54.13 52.96 2krr s LEU 37 Cb 0.00 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 2krr s LEU 37 CO 0.00 0.05 0.01 0.00 0.23 0.00 0.00 176.35 176.63 2krr s ALA 38 N 1.14 3.19 0.00 4.21 0.00 -1.26 -2.57 121.76 126.47 2krr s ALA 38 Ca 0.04 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.25 2krr s ALA 38 Cb -0.14 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 2krr s ALA 38 CO 0.03 0.21 -0.06 0.14 0.00 0.00 0.00 175.76 176.09 2krr s VAL 39 N 0.32 3.71 -0.07 0.00 -7.23 -1.26 -3.72 120.40 112.14 2krr s VAL 39 Ca -0.01 -0.76 0.14 0.00 -1.81 0.00 0.00 61.98 59.54 2krr s VAL 39 Cb -0.13 -2.62 -0.22 0.00 0.56 0.00 0.00 36.38 33.97 2krr s VAL 39 CO 0.02 0.39 0.64 1.33 -0.31 0.00 0.00 175.10 177.16 2krr n VAL 40 N 1.53 1.50 -3.55 1.32 0.24 -0.00 -4.87 118.33 114.49 2krr n VAL 40 Ca -0.15 -0.78 -0.12 0.00 -2.04 0.00 0.00 64.34 61.25 2krr n VAL 40 Cb 0.53 -0.92 -0.05 0.00 -1.47 0.00 0.00 33.84 31.92 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 -5.96 -0.44 -0.02 -1.34 -1.08 -1.23 -4.90 116.67 101.69 2krr s ASP 41 Ca -0.05 0.43 0.03 0.00 -0.52 0.00 0.00 52.55 52.44 2krr s ASP 41 Cb 0.08 0.37 -0.00 0.00 -1.46 0.00 0.00 42.92 41.91 2krr s ASP 41 CO 0.82 -0.45 -0.10 -0.69 0.52 0.00 0.00 175.17 175.27 2krr s VAL 42 N -1.39 0.86 -0.00 1.11 1.01 -1.26 0.01 120.40 120.73 2krr s VAL 42 Ca -0.03 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.56 2krr s VAL 42 Cb -0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 2krr s VAL 42 CO 0.02 0.25 -0.15 -0.60 0.00 0.00 0.00 175.10 174.62 2krr s ARG 43 N -0.06 2.32 0.06 2.72 6.06 0.16 -4.94 118.95 125.26 2krr s ARG 43 Ca 0.01 -0.83 0.08 0.00 -2.50 0.00 0.00 55.73 52.49 2krr s ARG 43 Cb -0.06 -2.30 -0.03 0.00 0.06 0.00 0.00 34.95 32.61 2krr s ARG 43 CO 0.00 0.58 -0.21 0.42 -2.50 0.00 0.00 175.30 173.59 2krr s ILE 44 N -0.84 2.56 0.42 4.11 -1.09 -1.26 -0.05 121.20 125.05 2krr s ILE 44 Ca 0.13 -1.33 -0.07 0.00 -2.23 0.00 0.00 60.65 57.16 2krr s ILE 44 Cb -0.11 -2.07 0.10 0.00 -1.58 0.00 0.00 42.46 38.81 2krr s ILE 44 CO 0.03 0.30 0.49 0.61 -1.23 0.00 0.00 174.94 175.14 2krr n GLY 45 N 1.49 -1.77 0.14 6.18 0.00 0.11 -4.91 105.19 106.45 2krr n GLY 45 Ca -0.16 -1.60 -0.23 0.00 0.00 0.00 0.00 46.02 44.02 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 0.49 -0.00 1.61 -0.00 -1.99 -3.23 114.93 111.81 2krr h MET 46 Ca -0.17 -0.85 0.00 0.00 -0.00 0.00 0.00 59.70 58.69 2krr h MET 46 Cb 0.47 0.31 0.00 0.00 -0.00 0.00 0.00 31.60 32.39 2krr h MET 46 CO 0.11 1.40 -0.02 -2.37 -0.00 0.00 0.00 176.91 176.04 2krr n THR 47 N -3.68 0.00 -1.77 -0.10 5.66 -1.26 -4.88 114.28 108.24 2krr n THR 47 Ca -0.16 -0.05 -0.19 0.00 -3.05 0.00 0.00 64.05 60.59 2krr n THR 47 Cb 1.09 -0.26 -0.07 0.00 -1.55 0.00 0.00 70.33 69.55 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 -0.82 -1.51 -0.00 1.09 3.00 -1.22 -4.65 116.66 112.55 2krr n ARG 48 Ca 0.20 1.10 0.09 0.00 -0.01 0.00 0.00 57.85 59.23 2krr n ARG 48 Cb 0.20 -5.53 -0.12 0.00 0.00 0.00 0.00 32.46 27.00 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 -2.46 0.79 -3.62 5.56 3.00 -1.26 -3.59 118.16 116.58 2krr n LYS 49 Ca -0.20 -0.09 -0.12 0.00 -0.00 0.00 0.00 58.31 57.89 2krr n LYS 49 Cb 0.65 -1.40 -0.02 0.00 0.00 0.00 0.00 35.03 34.26 2krr n LYS 49 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 2krr n PHE 50 N -1.82 -1.41 -2.00 5.64 -1.74 -1.26 0.15 117.46 115.02 2krr n PHE 50 Ca -0.00 -1.99 0.00 0.00 -0.56 0.00 0.00 57.45 54.90 2krr n PHE 50 Cb 0.39 0.51 0.00 0.00 1.52 0.00 0.00 39.48 41.91 2krr n PHE 50 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2krr n GLY 51 N -0.50 -0.60 3.16 4.97 0.00 -0.50 0.09 105.19 111.81 2krr n GLY 51 Ca -0.00 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.41 0.86 -0.03 1.61 1.51 0.93 -0.06 117.35 118.78 2krr s TYR 52 Ca 0.00 -1.04 -0.00 0.00 -1.01 0.00 0.00 57.07 55.02 2krr s TYR 52 Cb 0.00 -0.52 0.03 0.00 -0.11 0.00 0.00 41.96 41.36 2krr s TYR 52 CO 0.00 -0.30 0.02 0.08 -1.11 0.00 0.00 175.55 174.24 2krr s VAL 53 N -3.79 0.05 -0.10 0.71 1.01 -0.56 -0.67 120.40 117.05 2krr s VAL 53 Ca 0.16 0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.28 2krr s VAL 53 Cb 0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.23 2krr s VAL 53 CO -0.03 0.12 0.04 -1.81 0.00 0.00 0.00 175.10 173.43 2krr s ASP 54 N 1.17 5.55 0.06 3.32 1.01 0.10 -1.46 116.67 126.42 2krr s ASP 54 Ca -0.08 0.23 0.09 0.00 0.71 0.00 0.00 52.55 53.50 2krr s ASP 54 Cb -0.13 -1.65 -0.03 0.00 1.01 0.00 0.00 42.92 42.12 2krr s ASP 54 CO -0.03 0.38 -0.25 -0.36 0.21 0.00 0.00 175.17 175.12 2krr s PHE 55 N -0.88 2.21 0.18 4.23 0.40 -0.36 -0.82 117.98 122.94 2krr s PHE 55 Ca 0.13 -0.40 -0.16 0.00 -0.60 0.00 0.00 56.93 55.90 2krr s PHE 55 Cb -0.12 -1.29 0.14 0.00 0.51 0.00 0.00 43.02 42.26 2krr s PHE 55 CO 0.03 0.16 1.66 0.93 0.70 0.00 0.00 175.22 178.70 2krr h GLU 56 N 4.60 0.01 -5.07 0.44 5.08 -1.88 -3.40 114.58 114.36 2krr h GLU 56 Ca -0.47 -0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.54 2krr h GLU 56 Cb 1.15 -0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.26 2krr h GLU 56 CO 0.43 0.00 -0.68 -1.54 -1.00 0.00 0.00 179.01 176.22 2krr s SER 57 N -5.22 1.80 0.62 1.42 1.04 -1.26 -4.89 113.70 107.20 2krr s SER 57 Ca -0.14 -1.13 0.34 0.00 0.48 0.00 0.00 55.95 55.50 2krr s SER 57 Cb 0.16 0.01 1.96 0.00 0.10 0.00 0.00 66.02 68.24 2krr s SER 57 CO 0.72 -0.44 2.22 0.00 0.98 0.00 0.00 173.24 176.72 2krr h ALA 58 N 2.61 1.42 0.67 5.32 0.00 -1.96 -2.68 119.26 124.64 2krr h ALA 58 Ca -0.37 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 2krr h ALA 58 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2krr h ALA 58 CO 0.64 -0.11 -0.41 0.93 0.00 0.00 0.00 179.25 180.30 2krr h GLU 59 N 0.00 -0.98 -0.36 0.00 5.08 -1.96 0.24 114.58 116.59 2krr h GLU 59 Ca 0.02 0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2krr h GLU 59 Cb 0.19 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2krr h GLU 59 CO -0.00 -0.65 0.06 -0.44 -1.00 0.00 0.00 179.01 176.98 2krr h ASP 60 N -1.02 0.49 0.60 1.42 3.32 -1.84 0.78 116.42 120.18 2krr h ASP 60 Ca -0.08 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 2krr h ASP 60 Cb 0.82 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 40.25 2krr h ASP 60 CO 0.08 0.51 -0.29 0.25 -1.72 0.00 0.00 179.24 178.08 2krr h LEU 61 N 0.52 -0.68 -1.10 1.55 6.46 -1.26 -2.48 115.31 118.31 2krr h LEU 61 Ca 0.12 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.92 2krr h LEU 61 Cb 0.24 0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 40.30 2krr h LEU 61 CO 0.00 -0.39 0.61 -0.33 -0.62 0.00 0.00 178.44 177.71 2krr h GLU 62 N -1.01 1.17 -0.72 1.25 5.08 -0.52 -2.32 114.58 117.51 2krr h GLU 62 Ca -0.08 -0.07 0.11 0.00 -1.00 0.00 0.00 59.36 58.31 2krr h GLU 62 Cb 0.62 -0.26 -0.08 0.00 0.50 0.00 0.00 28.75 29.53 2krr h GLU 62 CO 0.14 0.77 0.34 0.87 -1.00 0.00 0.00 179.01 180.13 2krr h LYS 63 N 1.20 0.53 -0.06 2.33 1.57 -0.85 0.21 116.57 121.51 2krr h LYS 63 Ca 0.35 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.12 2krr h LYS 63 Cb -0.07 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 2krr h LYS 63 CO -0.09 0.35 0.13 0.00 -0.57 0.00 0.00 179.45 179.27 2krr h ALA 64 N 1.46 1.41 0.00 3.86 0.00 -0.93 0.31 119.26 125.38 2krr h ALA 64 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2krr h ALA 64 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2krr h ALA 64 CO -0.31 -0.16 -0.71 1.28 0.00 0.00 0.00 179.25 179.36 2krr n LEU 65 N -3.41 0.66 -0.10 0.00 4.77 0.70 -4.28 117.00 115.34 2krr n LEU 65 Ca -0.01 0.16 -0.20 0.00 -0.03 0.00 0.00 56.01 55.93 2krr n LEU 65 Cb 0.21 -0.17 -0.09 0.00 -2.33 0.00 0.00 43.42 41.04 2krr n LEU 65 CO 0.23 -0.02 -0.62 -0.62 -1.33 0.00 0.00 177.39 175.03 2krr n GLU 66 N -2.03 0.55 -0.78 3.23 -0.58 0.95 -4.97 120.64 117.01 2krr n GLU 66 Ca 0.03 0.52 -0.30 0.00 -0.42 0.00 0.00 57.16 56.99 2krr n GLU 66 Cb 0.43 -1.70 0.25 0.00 -0.57 0.00 0.00 31.44 29.86 2krr n GLU 66 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 2krr s LEU 67 N -7.88 0.11 0.32 -4.62 0.05 -0.33 -5.08 118.68 101.25 2krr s LEU 67 Ca -0.28 0.84 -0.01 0.00 0.05 0.00 0.00 54.13 54.73 2krr s LEU 67 Cb 0.06 -2.51 -0.01 0.00 -2.05 0.00 0.00 46.19 41.68 2krr s LEU 67 CO 0.51 -4.52 0.38 0.28 -0.55 0.00 0.00 176.35 172.45 2krr s THR 68 N -2.68 0.00 0.00 5.48 -1.32 -1.26 -4.95 115.64 110.91 2krr s THR 68 Ca 0.69 -1.73 0.00 0.00 -1.21 0.00 0.00 61.69 59.44 2krr s THR 68 Cb -0.13 -2.55 0.00 0.00 -1.51 0.00 0.00 72.50 68.31 2krr s THR 68 CO 0.58 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.60 2krr n GLY 69 N -0.53 0.96 3.49 6.08 0.00 -1.26 -5.04 105.19 108.89 2krr n GLY 69 Ca 0.03 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.89 4.32 0.04 0.99 1.43 -1.26 -5.07 118.68 118.24 2krr s LEU 70 Ca 0.00 -0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 52.62 2krr s LEU 70 Cb 0.00 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 2krr s LEU 70 CO 0.00 -0.21 0.04 -1.59 0.23 0.00 0.00 176.35 174.82 2krr s LYS 71 N 1.68 0.55 -0.08 1.70 0.00 -1.26 -2.65 119.74 119.67 2krr s LYS 71 Ca 0.05 -0.87 -0.05 0.00 0.00 0.00 0.00 55.97 55.11 2krr s LYS 71 Cb -0.17 0.20 0.03 0.00 0.00 0.00 0.00 37.83 37.90 2krr s LYS 71 CO 0.09 -0.12 0.20 0.08 0.00 0.00 0.00 175.35 175.60 2krr s VAL 72 N -2.80 -0.03 -1.51 1.79 1.01 0.14 -4.72 120.40 114.28 2krr s VAL 72 Ca -0.03 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 61.99 2krr s VAL 72 Cb -0.00 -0.31 0.01 0.00 0.00 0.00 0.00 36.38 36.09 2krr s VAL 72 CO -0.06 0.04 0.71 0.49 0.00 0.00 0.00 175.10 176.29 2krr n PHE 73 N 3.75 -2.13 0.00 5.22 3.72 -1.26 -2.24 117.46 124.51 2krr n PHE 73 Ca -0.21 0.62 0.00 0.00 -0.05 0.00 0.00 57.45 57.81 2krr n PHE 73 Cb 0.55 -4.49 0.00 0.00 -0.94 0.00 0.00 39.48 34.60 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 -1.59 2.04 3.79 1.37 0.00 -1.26 -4.99 105.19 104.54 2krr n GLY 74 Ca -0.08 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 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 4.74 -0.36 1.61 0.01 -0.95 -5.02 114.94 114.97 2krr s ASN 75 Ca 0.00 1.63 -0.11 0.00 -0.71 0.00 0.00 52.86 53.67 2krr s ASN 75 Cb 0.00 -2.41 0.01 0.00 0.41 0.00 0.00 41.25 39.27 2krr s ASN 75 CO 0.00 -1.86 0.20 -0.70 -1.51 0.00 0.00 177.10 173.24 2krr s GLU 76 N -5.00 3.05 0.85 -0.60 -6.30 -1.26 0.28 118.70 109.72 2krr s GLU 76 Ca 0.60 -0.93 -0.10 0.00 -2.50 0.00 0.00 54.97 52.04 2krr s GLU 76 Cb -0.16 -3.71 0.10 0.00 0.00 0.00 0.00 34.13 30.37 2krr s GLU 76 CO 0.55 -0.60 1.11 0.96 0.02 0.00 0.00 175.26 177.31 2krr s ILE 77 N 1.60 2.73 -0.14 -3.70 -5.25 -1.08 -4.73 121.20 110.62 2krr s ILE 77 Ca 0.03 0.24 0.01 0.00 -0.99 0.00 0.00 60.65 59.94 2krr s ILE 77 Cb -0.18 -2.52 0.02 0.00 2.95 0.00 0.00 42.46 42.73 2krr s ILE 77 CO 0.07 -0.31 -0.16 -0.54 -1.79 0.00 0.00 174.94 172.22 2krr s LYS 78 N -4.79 2.38 -0.02 0.37 1.02 0.11 -4.83 119.74 113.98 2krr s LYS 78 Ca 0.64 -0.60 -0.17 0.00 0.02 0.00 0.00 55.97 55.86 2krr s LYS 78 Cb -0.20 -2.09 -0.05 0.00 -0.52 0.00 0.00 37.83 34.97 2krr s LYS 78 CO 0.57 -0.16 0.47 -0.51 -0.92 0.00 0.00 175.35 174.81 2krr s LEU 79 N 1.24 4.42 0.35 3.17 1.02 -1.26 -0.02 118.68 127.61 2krr s LEU 79 Ca -0.00 0.99 -0.09 0.00 0.02 0.00 0.00 54.13 55.05 2krr s LEU 79 Cb -0.14 -2.70 0.02 0.00 0.02 0.00 0.00 46.19 43.39 2krr s LEU 79 CO -0.07 0.21 0.60 -1.61 0.02 0.00 0.00 176.35 175.50 2krr s GLU 80 N -0.52 2.00 -0.08 1.70 0.41 0.31 -4.98 118.70 117.53 2krr s GLU 80 Ca 0.26 -1.57 0.01 0.00 -0.41 0.00 0.00 54.97 53.26 2krr s GLU 80 Cb -0.17 0.52 -0.03 0.00 -1.78 0.00 0.00 34.13 32.68 2krr s GLU 80 CO 0.14 -0.88 -0.10 0.21 -0.49 0.00 0.00 175.26 174.14 2krr s LYS 81 N -2.88 2.86 0.60 1.61 2.20 -1.26 0.05 119.74 122.91 2krr s LYS 81 Ca 0.24 -0.62 -0.10 0.00 -0.36 0.00 0.00 55.97 55.12 2krr s LYS 81 Cb -0.02 -2.55 0.15 0.00 -1.51 0.00 0.00 37.83 33.89 2krr s LYS 81 CO 0.16 0.53 0.53 -0.35 -0.36 0.00 0.00 175.35 175.86 2krr n PRO 82 N 2.60 -2.07 -1.08 4.03 -0.04 -1.26 -4.76 135.00 132.42 2krr n PRO 82 Ca -0.18 -0.85 -0.35 0.00 -0.04 0.00 0.00 63.50 62.08 2krr n PRO 82 Cb 0.53 -0.80 0.09 0.00 -0.04 0.00 0.00 33.50 33.27 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 -3.14 0.07 0.00 0.54 3.00 -1.26 -5.00 118.16 112.37 2krr n LYS 83 Ca 0.07 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 2krr n LYS 83 Cb 0.29 -1.82 0.00 0.00 0.00 0.00 0.00 35.03 33.50 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 1.64 2.74 3.15 3.14 0.00 -1.26 -5.18 105.19 109.42 2krr n GLY 84 Ca 0.08 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 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 2.37 0.72 0.09 1.61 -0.14 -1.26 -5.17 119.74 117.95 2krr s LYS 85 Ca 0.00 -1.04 -0.27 0.00 -1.36 0.00 0.00 55.97 53.30 2krr s LYS 85 Cb 0.00 0.28 0.09 0.00 -1.68 0.00 0.00 37.83 36.51 2krr s LYS 85 CO 0.00 -0.19 1.10 0.34 -0.76 0.00 0.00 175.35 175.84 2krr s ASP 86 N -2.81 -0.12 -0.05 2.83 2.15 -1.26 -5.05 116.67 112.36 2krr s ASP 86 Ca 0.05 -0.31 0.02 0.00 0.43 0.00 0.00 52.55 52.74 2krr s ASP 86 Cb 0.06 0.36 -0.25 0.00 -0.30 0.00 0.00 42.92 42.78 2krr s ASP 86 CO -0.10 -0.66 0.64 0.28 -0.17 0.00 0.00 175.17 175.16 2krr h SER 87 N 2.00 0.25 0.07 -0.34 0.02 -2.04 -3.32 113.55 110.18 2krr h SER 87 Ca -0.27 -0.46 -0.00 0.00 -0.84 0.00 0.00 61.79 60.22 2krr h SER 87 Cb 1.22 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 2krr h SER 87 CO 0.27 1.41 -0.00 0.11 -1.14 0.00 0.00 176.83 177.48 2krr h LYS 88 N 0.04 0.00 -0.10 3.45 1.57 -2.03 -1.69 116.57 117.81 2krr h LYS 88 Ca -0.31 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.50 2krr h LYS 88 Cb 2.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.32 2krr h LYS 88 CO 0.11 0.00 0.20 1.57 -0.57 0.00 0.00 179.45 180.76 2krr h LYS 89 N 0.00 0.00 -0.74 3.15 2.10 -1.97 -1.70 116.57 117.41 2krr h LYS 89 Ca -0.00 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.76 2krr h LYS 89 Cb 0.04 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.28 2krr h LYS 89 CO 0.00 0.00 0.35 1.05 -2.00 0.00 0.00 179.45 178.85 2krr h GLU 90 N 0.00 0.54 0.15 0.07 4.11 -1.57 0.27 114.58 118.15 2krr h GLU 90 Ca 0.05 -0.03 -0.33 0.00 0.07 0.00 0.00 59.36 59.11 2krr h GLU 90 Cb 0.44 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2krr h GLU 90 CO -0.00 0.36 -1.70 0.00 0.07 0.00 0.00 179.01 177.74 2krr h ARG 91 N 0.55 0.31 0.00 1.06 -0.00 -1.56 -3.30 114.38 111.44 2krr h ARG 91 Ca 0.38 -0.53 0.00 0.00 -0.50 0.00 0.00 59.98 59.33 2krr h ARG 91 Cb 0.48 0.20 0.00 0.00 0.00 0.00 0.00 29.97 30.65 2krr h ARG 91 CO -0.32 1.19 0.00 -0.25 0.00 0.00 0.00 179.97 180.59 2krr n ASP 92 N -3.50 0.64 0.00 7.04 8.00 -0.98 -1.63 116.55 126.12 2krr n ASP 92 Ca -0.22 0.72 0.09 0.00 0.71 0.00 0.00 54.79 56.08 2krr n ASP 92 Cb 1.06 -0.83 0.41 0.00 -0.02 0.00 0.00 41.12 41.74 2krr n ASP 92 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2krr n ALA 93 N -1.79 1.88 0.04 2.24 0.00 0.91 -0.15 120.51 123.65 2krr n ALA 93 Ca 0.00 -0.07 -0.16 0.00 0.00 0.00 0.00 53.44 53.22 2krr n ALA 93 Cb 0.14 -1.29 -0.10 0.00 0.00 0.00 0.00 19.45 18.20 2krr n ALA 93 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2krr h ARG 94 N 0.00 -0.63 -5.85 0.00 2.43 -1.53 -3.39 114.38 105.41 2krr h ARG 94 Ca 0.00 0.04 -0.63 0.00 -0.81 0.00 0.00 59.98 58.59 2krr h ARG 94 Cb 0.26 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.89 2krr h ARG 94 CO 0.00 -0.42 -0.30 0.99 -1.51 0.00 0.00 179.97 178.73 2krr s THR 95 N -5.74 5.20 0.24 0.20 2.01 -1.24 -3.54 115.64 112.77 2krr s THR 95 Ca -0.16 0.62 0.06 0.00 0.31 0.00 0.00 61.69 62.53 2krr s THR 95 Cb 0.07 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 2krr s THR 95 CO 0.61 0.57 0.23 -0.76 -0.69 0.00 0.00 174.62 174.58 2krr s LEU 96 N -0.90 3.95 0.05 4.42 2.01 0.67 -2.10 118.68 126.78 2krr s LEU 96 Ca 0.20 -0.15 0.08 0.00 0.01 0.00 0.00 54.13 54.27 2krr s LEU 96 Cb -0.15 -2.49 -0.03 0.00 0.01 0.00 0.00 46.19 43.54 2krr s LEU 96 CO 0.10 -0.03 -0.22 -0.22 1.01 0.00 0.00 176.35 176.99 2krr s LEU 97 N -3.79 2.18 -0.09 1.79 2.96 0.10 -1.23 118.68 120.60 2krr s LEU 97 Ca 0.33 -0.55 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 2krr s LEU 97 Cb -0.08 -1.02 -0.02 0.00 0.50 0.00 0.00 46.19 45.57 2krr s LEU 97 CO 0.26 0.17 -0.13 0.00 -1.32 0.00 0.00 176.35 175.32 2krr s ALA 98 N -0.83 2.66 0.32 5.97 0.00 0.12 -0.05 121.76 129.95 2krr s ALA 98 Ca 0.08 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.14 2krr s ALA 98 Cb -0.09 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 2krr s ALA 98 CO 0.02 0.40 0.14 0.15 0.00 0.00 0.00 175.76 176.48 2krr s LYS 99 N -0.19 1.64 -1.05 0.00 -0.14 -0.73 -1.95 119.74 117.32 2krr s LYS 99 Ca 0.00 -1.94 -0.03 0.00 -1.36 0.00 0.00 55.97 52.64 2krr s LYS 99 Cb -0.13 -0.25 0.00 0.00 -1.68 0.00 0.00 37.83 35.77 2krr s LYS 99 CO 0.03 -0.42 0.42 -1.71 -0.76 0.00 0.00 175.35 172.91 2krr n ASN 100 N -0.94 -4.66 -4.89 2.83 5.15 -1.26 -2.24 115.26 109.25 2krr n ASN 100 Ca -0.00 -0.20 -0.31 0.00 -0.60 0.00 0.00 54.58 53.47 2krr n ASN 100 Cb 0.65 -3.52 -0.04 0.00 -0.53 0.00 0.00 39.78 36.33 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 -4.68 4.24 0.93 1.20 1.43 -1.26 -4.35 118.68 116.18 2krr s LEU 101 Ca 0.21 0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 53.39 2krr s LEU 101 Cb -0.09 -2.85 0.15 0.00 0.03 0.00 0.00 46.19 43.42 2krr s LEU 101 CO 0.26 0.17 1.09 -2.16 0.23 0.00 0.00 176.35 175.93 2krr s PRO 102 N -2.52 1.00 0.00 1.29 0.04 -1.26 -4.51 135.00 129.04 2krr s PRO 102 Ca 0.34 0.73 0.24 0.00 0.04 0.00 0.00 61.00 62.34 2krr s PRO 102 Cb -0.13 -1.79 1.23 0.00 0.04 0.00 0.00 34.50 33.86 2krr s PRO 102 CO 0.27 -2.39 1.78 0.66 0.04 0.00 0.00 177.00 177.36 2krr n TYR 103 N -3.97 0.00 0.05 0.56 4.01 -1.26 -2.45 117.16 114.10 2krr n TYR 103 Ca 0.06 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.82 2krr n TYR 103 Cb 0.56 -0.24 0.03 0.00 -0.31 0.00 0.00 39.34 39.38 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 -1.24 1.02 -1.02 -0.72 2.85 -1.26 -1.11 118.16 116.69 2krr n LYS 104 Ca 0.12 -1.13 -0.34 0.00 -1.05 0.00 0.00 58.31 55.92 2krr n LYS 104 Cb 0.17 -1.07 0.12 0.00 -0.65 0.00 0.00 35.03 33.60 2krr n LYS 104 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 2krr n VAL 105 N 0.02 1.28 -4.26 0.58 3.14 -1.02 -4.91 118.33 113.15 2krr n VAL 105 Ca 0.03 -0.22 -0.16 0.00 -2.96 0.00 0.00 64.34 61.03 2krr n VAL 105 Cb 0.18 -0.94 -0.09 0.00 -1.06 0.00 0.00 33.84 31.93 2krr n VAL 105 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 2krr s THR 106 N -2.20 0.10 0.06 1.55 2.01 -1.26 -4.64 115.64 111.26 2krr s THR 106 Ca 0.67 -2.00 -0.38 0.00 0.31 0.00 0.00 61.69 60.29 2krr s THR 106 Cb -0.28 -2.51 -0.21 0.00 0.01 0.00 0.00 72.50 69.52 2krr s THR 106 CO 0.57 0.00 1.57 1.56 -0.69 0.00 0.00 174.62 177.63 2krr h GLN 107 N 2.36 -1.32 -1.00 4.92 4.20 -1.98 -2.83 115.11 119.47 2krr h GLN 107 Ca -0.32 0.09 0.18 0.00 0.06 0.00 0.00 58.65 58.66 2krr h GLN 107 Cb 1.24 0.30 -0.10 0.00 0.30 0.00 0.00 27.48 29.22 2krr h GLN 107 CO 0.48 -0.88 0.62 0.22 -0.67 0.00 0.00 178.83 178.60 2krr h ASP 108 N -1.37 0.79 -0.46 1.46 1.82 -1.98 0.24 116.42 116.93 2krr h ASP 108 Ca -0.14 0.09 0.09 0.00 -0.39 0.00 0.00 57.03 56.68 2krr h ASP 108 Cb 1.05 -0.06 -0.09 0.00 0.68 0.00 0.00 39.33 40.91 2krr h ASP 108 CO 0.23 0.30 -0.14 -0.33 -1.61 0.00 0.00 179.24 177.69 2krr h GLU 109 N 0.78 -0.04 0.00 0.28 3.07 -1.92 -0.58 114.58 116.18 2krr h GLU 109 Ca 0.56 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 59.29 2krr h GLU 109 Cb 0.86 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.76 2krr h GLU 109 CO -0.35 -0.02 -0.66 -0.07 -1.40 0.00 0.00 179.01 176.50 2krr h LEU 110 N -0.04 0.00 -0.37 1.33 3.38 -1.06 -3.16 115.31 115.40 2krr h LEU 110 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2krr h LEU 110 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2krr h LEU 110 CO -0.49 0.63 0.00 2.29 0.09 0.00 0.00 178.44 180.96 2krr n LYS 111 N -3.24 0.08 0.15 1.13 2.85 0.73 -2.32 118.16 117.55 2krr n LYS 111 Ca 0.01 0.37 0.12 0.00 -1.05 0.00 0.00 58.31 57.75 2krr n LYS 111 Cb 0.79 -1.68 0.55 0.00 -0.65 0.00 0.00 35.03 34.05 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 -1.84 0.18 -0.08 -1.58 1.02 -0.36 0.19 120.64 118.16 2krr n GLU 112 Ca 0.02 0.54 -0.15 0.00 -0.02 0.00 0.00 57.16 57.54 2krr n GLU 112 Cb 0.17 -1.93 -0.06 0.00 -0.02 0.00 0.00 31.44 29.60 2krr n GLU 112 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2krr n VAL 113 N -2.28 0.85 -1.44 2.62 0.24 -0.98 -4.66 118.33 112.68 2krr n VAL 113 Ca 0.00 -0.24 -0.28 0.00 -2.04 0.00 0.00 64.34 61.79 2krr n VAL 113 Cb 0.14 -1.58 0.10 0.00 -1.47 0.00 0.00 33.84 31.03 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 -3.55 2.89 0.29 6.34 1.16 -1.20 -4.65 117.46 118.73 2krr n PHE 114 Ca -0.30 -2.52 0.19 0.00 -1.87 0.00 0.00 57.45 52.95 2krr n PHE 114 Cb 0.73 -1.07 0.97 0.00 -1.61 0.00 0.00 39.48 38.50 2krr n PHE 114 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 2krr h GLU 115 N 1.73 0.00 0.00 3.97 4.81 -0.53 0.42 114.58 124.98 2krr h GLU 115 Ca 0.53 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 2krr h GLU 115 Cb 1.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.80 2krr h GLU 115 CO 1.23 0.00 -0.28 -3.47 -0.73 0.00 0.00 179.01 175.76 2krr n ASP 116 N -3.29 0.77 -4.25 1.04 2.03 -1.26 -4.91 116.55 106.67 2krr n ASP 116 Ca -0.01 0.37 -0.33 0.00 0.52 0.00 0.00 54.79 55.34 2krr n ASP 116 Cb 0.24 -0.37 0.15 0.00 -0.72 0.00 0.00 41.12 40.41 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 -4.21 0.19 -1.67 0.00 0.15 -4.95 120.51 108.21 2krr n ALA 117 Ca 0.05 -1.21 -0.08 0.00 0.00 0.00 0.00 53.44 52.20 2krr n ALA 117 Cb 0.43 -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 -1.85 -0.62 -2.42 0.00 0.00 -1.85 -3.48 119.26 109.02 2krr h ALA 118 Ca -0.51 -0.12 -0.26 0.00 0.00 0.00 0.00 54.91 54.03 2krr h ALA 118 Cb 1.35 0.20 -0.15 0.00 0.00 0.00 0.00 17.79 19.20 2krr h ALA 118 CO 0.35 -0.59 -0.64 -1.83 0.00 0.00 0.00 179.25 176.55 2krr s GLU 119 N -3.34 1.14 -0.04 0.00 4.04 -0.59 -5.02 118.70 114.89 2krr s GLU 119 Ca -0.08 -1.58 -0.01 0.00 0.04 0.00 0.00 54.97 53.35 2krr s GLU 119 Cb 0.01 0.04 0.03 0.00 0.02 0.00 0.00 34.13 34.23 2krr s GLU 119 CO 0.23 -0.28 0.02 0.42 -1.84 0.00 0.00 175.26 173.81 2krr s ILE 120 N -3.94 0.09 -0.20 1.83 1.09 -1.26 -3.01 121.20 115.79 2krr s ILE 120 Ca 0.31 0.21 -0.01 0.00 -1.10 0.00 0.00 60.65 60.06 2krr s ILE 120 Cb 0.07 -0.24 0.06 0.00 -1.06 0.00 0.00 42.46 41.29 2krr s ILE 120 CO 0.08 0.16 -0.01 -0.13 -0.10 0.00 0.00 174.94 174.94 2krr s ARG 121 N 1.47 1.09 0.38 2.79 1.81 0.82 -5.02 118.95 122.31 2krr s ARG 121 Ca -0.04 -0.63 -0.04 0.00 -1.72 0.00 0.00 55.73 53.31 2krr s ARG 121 Cb -0.13 -2.25 -0.04 0.00 -0.45 0.00 0.00 34.95 32.08 2krr s ARG 121 CO -0.03 -0.59 0.65 -0.51 -0.68 0.00 0.00 175.30 174.14 2krr s LEU 122 N 1.67 3.88 -0.31 2.53 2.01 -1.26 0.02 118.68 127.22 2krr s LEU 122 Ca -0.02 0.74 0.01 0.00 0.01 0.00 0.00 54.13 54.86 2krr s LEU 122 Cb -0.17 -3.62 0.07 0.00 0.01 0.00 0.00 46.19 42.48 2krr s LEU 122 CO -0.07 -0.37 -0.01 -0.69 1.01 0.00 0.00 176.35 176.22 2krr s VAL 123 N -2.40 2.53 0.04 -1.59 1.01 -1.22 -4.87 120.40 113.90 2krr s VAL 123 Ca 0.44 -1.79 -0.03 0.00 0.00 0.00 0.00 61.98 60.61 2krr s VAL 123 Cb -0.10 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 2krr s VAL 123 CO 0.37 -0.26 0.03 -0.94 0.00 0.00 0.00 175.10 174.30 2krr s SER 124 N 1.17 0.31 -0.04 3.32 1.04 -1.26 -2.14 113.70 116.09 2krr s SER 124 Ca -0.01 -0.71 0.02 0.00 0.48 0.00 0.00 55.95 55.73 2krr s SER 124 Cb -0.20 0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.13 2krr s SER 124 CO -0.05 -0.51 -0.08 -0.75 0.98 0.00 0.00 173.24 172.83 2krr s LYS 125 N -2.94 1.07 -1.79 4.02 2.20 0.92 -4.75 119.74 118.48 2krr s LYS 125 Ca -0.02 -0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.33 2krr s LYS 125 Cb 0.01 -0.98 0.00 0.00 -1.51 0.00 0.00 37.83 35.35 2krr s LYS 125 CO -0.06 0.03 0.00 -3.47 -0.36 0.00 0.00 175.35 171.49 2krr n ASP 126 N 3.65 -5.04 0.00 1.43 -0.08 -1.26 -1.31 116.55 113.94 2krr n ASP 126 Ca -0.22 0.41 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 2krr n ASP 126 Cb 0.53 -4.03 0.00 0.00 2.34 0.00 0.00 41.12 39.96 2krr n ASP 126 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2krr n GLY 127 N -0.90 0.67 3.12 0.27 0.00 -1.26 -5.05 105.19 102.03 2krr n GLY 127 Ca -0.17 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.64 2.25 0.69 1.61 -0.14 -0.43 -5.02 119.74 118.06 2krr s LYS 128 Ca 0.00 -0.62 -0.16 0.00 -1.36 0.00 0.00 55.97 53.82 2krr s LYS 128 Cb 0.00 -1.78 0.02 0.00 -1.68 0.00 0.00 37.83 34.39 2krr s LYS 128 CO 0.00 0.12 1.23 0.45 -0.76 0.00 0.00 175.35 176.39 2krr s SER 129 N 0.45 4.41 -0.01 2.83 0.15 -0.27 -0.06 113.70 121.21 2krr s SER 129 Ca -0.15 2.44 0.18 0.00 0.70 0.00 0.00 55.95 59.12 2krr s SER 129 Cb -0.16 -2.60 -0.24 0.00 -1.71 0.00 0.00 66.02 61.31 2krr s SER 129 CO 0.06 -2.12 0.57 0.29 1.20 0.00 0.00 173.24 173.24 2krr n LYS 130 N -2.36 0.87 0.00 5.44 5.02 -0.91 -4.68 118.16 121.54 2krr n LYS 130 Ca 0.14 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 2krr n LYS 130 Cb 0.49 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 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 1.44 1.45 3.67 0.72 0.00 -1.26 -5.03 105.19 106.19 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 0.01 -0.30 -0.61 -4.36 -1.26 -4.33 121.20 108.35 2krr s ILE 132 Ca 0.00 -0.89 -0.09 0.00 -0.26 0.00 0.00 60.65 59.41 2krr s ILE 132 Cb 0.00 -1.80 0.16 0.00 1.25 0.00 0.00 42.46 42.08 2krr s ILE 132 CO 0.00 -0.03 0.79 0.00 0.24 0.00 0.00 174.94 175.94 2krr s ALA 133 N -3.90 -2.51 -0.15 2.27 0.00 -0.82 -3.45 121.76 113.19 2krr s ALA 133 Ca 0.11 1.98 -0.17 0.00 0.00 0.00 0.00 51.96 53.89 2krr s ALA 133 Cb -0.03 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 2krr s ALA 133 CO 0.02 -1.13 0.42 0.71 0.00 0.00 0.00 175.76 175.77 2krr s TYR 134 N 2.77 3.47 -0.09 0.00 2.02 0.10 0.16 117.35 125.79 2krr s TYR 134 Ca 0.03 0.75 0.02 0.00 -0.37 0.00 0.00 57.07 57.50 2krr s TYR 134 Cb -0.11 -2.50 0.02 0.00 -0.40 0.00 0.00 41.96 38.97 2krr s TYR 134 CO -0.18 0.14 -0.13 0.96 -1.57 0.00 0.00 175.55 174.78 2krr s ILE 135 N 0.76 1.25 -0.48 2.71 -0.00 -0.37 -0.13 121.20 124.95 2krr s ILE 135 Ca 0.22 -0.51 -0.16 0.00 -0.00 0.00 0.00 60.65 60.20 2krr s ILE 135 Cb -0.14 -1.16 0.07 0.00 -0.00 0.00 0.00 42.46 41.23 2krr s ILE 135 CO 0.08 0.39 0.41 -0.70 -0.00 0.00 0.00 174.94 175.12 2krr s GLU 136 N 0.94 2.99 0.89 0.37 -6.30 -1.16 -0.24 118.70 116.19 2krr s GLU 136 Ca -0.09 -1.33 -0.13 0.00 -2.50 0.00 0.00 54.97 50.92 2krr s GLU 136 Cb -0.15 -4.14 0.13 0.00 0.00 0.00 0.00 34.13 29.98 2krr s GLU 136 CO 0.00 -1.05 1.18 -0.06 0.02 0.00 0.00 175.26 175.36 2krr s PHE 137 N 1.70 2.46 -0.02 5.30 0.40 -1.23 -1.55 117.98 125.05 2krr s PHE 137 Ca 0.05 0.71 -0.24 0.00 -0.60 0.00 0.00 56.93 56.85 2krr s PHE 137 Cb -0.24 -3.55 -0.20 0.00 0.51 0.00 0.00 43.02 39.54 2krr s PHE 137 CO 0.07 -2.24 1.19 0.87 0.70 0.00 0.00 175.22 175.81 2krr h LYS 138 N -1.39 0.14 -3.99 0.44 6.56 -1.93 -3.44 116.57 112.96 2krr h LYS 138 Ca -0.47 -0.09 -0.14 0.00 -1.06 0.00 0.00 60.65 58.88 2krr h LYS 138 Cb 1.31 0.01 -0.18 0.00 -0.57 0.00 0.00 32.23 32.80 2krr h LYS 138 CO 0.59 0.70 -0.64 -0.08 -2.06 0.00 0.00 179.45 177.95 2krr s THR 139 N -3.85 0.15 0.59 -0.16 -1.32 -1.26 -5.02 115.64 104.76 2krr s THR 139 Ca -0.16 -1.20 0.29 0.00 -1.21 0.00 0.00 61.69 59.41 2krr s THR 139 Cb 0.02 -0.78 0.36 0.00 -1.51 0.00 0.00 72.50 70.60 2krr s THR 139 CO 0.71 -0.66 2.09 -0.08 -2.21 0.00 0.00 174.62 174.47 2krr h GLU 140 N 3.97 0.00 -0.18 7.08 4.22 -1.82 0.65 114.58 128.50 2krr h GLU 140 Ca -0.33 0.00 -0.14 0.00 0.08 0.00 0.00 59.36 58.97 2krr h GLU 140 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2krr h GLU 140 CO 0.50 0.00 -0.50 0.00 -2.18 0.00 0.00 179.01 176.84 2krr h ALA 141 N 1.75 0.81 0.09 2.92 0.00 -1.95 0.21 119.26 123.09 2krr h ALA 141 Ca 0.09 -0.48 -0.29 0.00 0.00 0.00 0.00 54.91 54.23 2krr h ALA 141 Cb 0.52 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2krr h ALA 141 CO -0.00 0.67 -1.44 -0.44 0.00 0.00 0.00 179.25 178.04 2krr h ASP 142 N 0.38 0.30 0.29 0.00 3.32 -1.36 -3.12 116.42 116.22 2krr h ASP 142 Ca 0.02 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 2krr h ASP 142 Cb 1.00 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.46 2krr h ASP 142 CO 0.09 1.33 -0.14 0.00 -1.72 0.00 0.00 179.24 178.80 2krr h ALA 143 N 0.63 -0.39 -0.27 3.45 0.00 -1.08 0.25 119.26 121.84 2krr h ALA 143 Ca -0.20 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.69 2krr h ALA 143 Cb 1.97 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.91 2krr h ALA 143 CO 0.15 -0.37 0.29 1.05 0.00 0.00 0.00 179.25 180.37 2krr h GLU 144 N -1.09 0.00 0.01 0.00 4.11 -1.14 -1.98 114.58 114.49 2krr h GLU 144 Ca -0.04 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.23 2krr h GLU 144 Cb 0.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2krr h GLU 144 CO 0.07 0.00 -0.89 -0.22 0.07 0.00 0.00 179.01 178.03 2krr h LYS 145 N 0.00 0.01 -0.78 1.06 1.63 -1.58 -3.35 116.57 113.57 2krr h LYS 145 Ca 0.13 -0.02 0.23 0.00 -0.85 0.00 0.00 60.65 60.13 2krr h LYS 145 Cb 0.71 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.31 2krr h LYS 145 CO -0.00 1.01 0.63 1.15 -3.45 0.00 0.00 179.45 178.79 2krr h THR 146 N -0.96 0.46 -0.07 1.00 2.02 0.12 -0.53 112.91 114.94 2krr h THR 146 Ca -0.24 0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.96 2krr h THR 146 Cb 1.24 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 68.14 2krr h THR 146 CO -0.13 0.00 -0.46 0.15 0.37 0.00 0.00 175.52 175.45 2krr h PHE 147 N 0.00 -1.35 0.00 3.16 3.57 -1.51 0.32 116.94 121.12 2krr h PHE 147 Ca 0.37 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.90 2krr h PHE 147 Cb 1.63 0.60 -0.00 0.00 2.79 0.00 0.00 35.95 40.96 2krr h PHE 147 CO 0.00 -0.47 -0.28 1.05 -2.23 0.00 0.00 178.31 176.38 2krr h GLU 148 N -0.52 0.00 0.00 1.11 4.11 -1.61 0.13 114.58 117.80 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 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2krr h GLU 148 CO -0.34 0.08 0.00 0.93 0.07 0.00 0.00 179.01 179.74 2krr h GLU 149 N 0.00 0.00 0.00 1.06 4.39 -0.51 -3.28 114.58 116.24 2krr h GLU 149 Ca -0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2krr h GLU 149 Cb 1.07 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.72 2krr h GLU 149 CO 0.01 0.00 -1.07 1.63 -1.16 0.00 0.00 179.01 178.42 2krr n LYS 150 N -2.78 3.42 -1.58 2.33 4.01 0.11 -5.00 118.16 118.67 2krr n LYS 150 Ca 0.02 -0.00 -0.48 0.00 -0.51 0.00 0.00 58.31 57.34 2krr n LYS 150 Cb 0.34 -1.03 -0.04 0.00 -0.51 0.00 0.00 35.03 33.80 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 -1.98 1.23 0.00 1.97 -0.06 0.45 -3.33 117.38 115.66 2krr n GLN 151 Ca -0.01 0.44 0.00 0.00 -2.00 0.00 0.00 57.00 55.42 2krr n GLN 151 Cb 0.48 -1.92 0.00 0.00 -4.06 0.00 0.00 30.24 24.73 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 1.93 1.05 3.90 1.69 0.00 -1.26 -4.93 105.19 107.56 2krr n GLY 152 Ca 0.14 0.00 -0.29 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 3.73 -0.08 2.61 -1.32 -1.21 -5.03 115.64 112.33 2krr s THR 153 Ca 0.00 0.30 0.03 0.00 -1.21 0.00 0.00 61.69 60.81 2krr s THR 153 Cb 0.00 -3.52 0.01 0.00 -1.51 0.00 0.00 72.50 67.48 2krr s THR 153 CO 0.00 -0.61 -0.17 -1.61 -2.21 0.00 0.00 174.62 170.01 2krr s GLU 154 N -5.16 2.32 -0.03 7.08 2.02 -1.26 -3.38 118.70 120.28 2krr s GLU 154 Ca 0.56 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.93 2krr s GLU 154 Cb -0.11 -1.83 0.02 0.00 0.10 0.00 0.00 34.13 32.32 2krr s GLU 154 CO 0.49 0.08 -0.02 0.42 0.02 0.00 0.00 175.26 176.26 2krr s ILE 155 N 0.55 0.30 -1.69 -1.63 1.09 0.12 -4.78 121.20 115.16 2krr s ILE 155 Ca -0.16 0.01 0.00 0.00 -1.10 0.00 0.00 60.65 59.41 2krr s ILE 155 Cb -0.17 -0.37 0.00 0.00 -1.06 0.00 0.00 42.46 40.86 2krr s ILE 155 CO 0.06 0.17 0.00 -0.67 -0.10 0.00 0.00 174.94 174.40 2krr n ASP 156 N 4.10 -4.92 0.00 3.58 2.03 -1.26 -1.89 116.55 118.19 2krr n ASP 156 Ca -0.26 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.44 2krr n ASP 156 Cb 0.50 -3.83 0.00 0.00 -0.72 0.00 0.00 41.12 37.07 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 -1.02 3.04 3.99 0.27 0.00 -1.26 -5.03 105.19 105.18 2krr n GLY 157 Ca -0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 2krr n GLY 157 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2krr s ARG 158 N -0.22 2.58 -0.33 1.61 1.70 -0.79 -5.05 118.95 118.44 2krr s ARG 158 Ca 0.00 -0.97 -0.09 0.00 -0.47 0.00 0.00 55.73 54.20 2krr s ARG 158 Cb 0.00 -2.57 0.01 0.00 -0.57 0.00 0.00 34.95 31.82 2krr s ARG 158 CO 0.00 -0.62 0.15 -1.12 -1.08 0.00 0.00 175.30 172.63 2krr s SER 159 N -4.43 5.50 0.12 -2.89 0.01 -1.26 0.14 113.70 110.89 2krr s SER 159 Ca 0.57 -0.71 -0.28 0.00 1.31 0.00 0.00 55.95 56.84 2krr s SER 159 Cb -0.10 -1.98 -0.06 0.00 0.21 0.00 0.00 66.02 64.09 2krr s SER 159 CO 0.37 -0.25 0.89 0.27 0.41 0.00 0.00 173.24 174.93 2krr s ILE 160 N 1.56 4.47 0.23 1.44 -4.36 -1.22 -4.89 121.20 118.43 2krr s ILE 160 Ca 0.03 1.94 0.08 0.00 -0.26 0.00 0.00 60.65 62.44 2krr s ILE 160 Cb -0.18 -4.26 -0.04 0.00 1.25 0.00 0.00 42.46 39.23 2krr s ILE 160 CO 0.05 0.38 0.04 -0.44 0.24 0.00 0.00 174.94 175.22 2krr s SER 161 N -0.33 4.85 0.04 4.36 0.01 -0.95 -4.45 113.70 117.24 2krr s SER 161 Ca 0.43 -0.46 0.07 0.00 1.31 0.00 0.00 55.95 57.30 2krr s SER 161 Cb -0.23 -1.04 -0.02 0.00 0.21 0.00 0.00 66.02 64.94 2krr s SER 161 CO 0.28 0.03 -0.20 -0.76 0.41 0.00 0.00 173.24 173.00 2krr s LEU 162 N -3.43 2.16 -0.14 2.44 1.43 -1.26 -1.77 118.68 118.11 2krr s LEU 162 Ca 0.30 -0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 52.83 2krr s LEU 162 Cb -0.08 -0.94 0.06 0.00 0.03 0.00 0.00 46.19 45.27 2krr s LEU 162 CO 0.21 0.15 0.31 -0.31 0.23 0.00 0.00 176.35 176.94 2krr s TYR 163 N -0.80 -0.50 0.31 0.29 2.02 0.92 -4.97 117.35 114.63 2krr s TYR 163 Ca 0.07 1.08 -0.29 0.00 -0.37 0.00 0.00 57.07 57.56 2krr s TYR 163 Cb -0.09 0.11 -0.10 0.00 -0.40 0.00 0.00 41.96 41.48 2krr s TYR 163 CO 0.02 -0.34 1.27 1.52 -1.57 0.00 0.00 175.55 176.44 2krr s TYR 164 N 1.94 3.17 0.00 2.71 -0.85 -1.26 0.01 117.35 123.06 2krr s TYR 164 Ca -0.04 1.45 0.00 0.00 -0.52 0.00 0.00 57.07 57.96 2krr s TYR 164 Cb -0.11 -3.60 0.00 0.00 0.38 0.00 0.00 41.96 38.63 2krr s TYR 164 CO -0.10 -1.62 0.00 -2.37 -1.52 0.00 0.00 175.55 169.94 2krr n THR 165 N 1.03 0.00 -0.62 -3.49 5.66 -0.89 -4.83 114.28 111.14 2krr n THR 165 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2krr n THR 165 Cb 0.42 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 2krr n THR 165 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2krr n GLY 166 N 0.00 -0.08 1.29 1.09 0.00 0.79 -4.60 105.19 103.69 2krr n GLY 166 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 2krr n GLY 166 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2krr n GLU 167 N -0.03 -2.99 -1.55 1.61 1.02 -1.26 -4.89 120.64 112.56 2krr n GLU 167 Ca 0.00 2.44 -0.32 0.00 -0.02 0.00 0.00 57.16 59.26 2krr n GLU 167 Cb 0.20 -3.49 0.07 0.00 -0.02 0.00 0.00 31.44 28.19 2krr n GLU 167 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2krr s PRO 168 N -4.11 2.57 0.40 3.49 0.04 -1.26 -4.37 135.00 131.76 2krr s PRO 168 Ca 0.00 1.29 0.28 0.00 0.04 0.00 0.00 61.00 62.62 2krr s PRO 168 Cb 0.00 -1.93 1.08 0.00 0.04 0.00 0.00 34.50 33.69 2krr s PRO 168 CO 0.00 -1.41 1.83 0.87 0.04 0.00 0.00 177.00 178.33 2krr h LYS 169 N -0.46 0.00 0.00 4.56 1.57 -1.96 -3.42 116.57 116.86 2krr h LYS 169 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2krr h LYS 169 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2krr h LYS 169 CO 0.53 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.82 2krr n GLY 170 N 0.24 -1.07 0.36 3.86 0.00 -1.26 -5.00 105.19 102.32 2krr n GLY 170 Ca 0.02 0.92 0.18 0.00 0.00 0.00 0.00 46.02 47.14 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 -0.02 1.61 4.11 -2.00 0.40 114.58 118.68 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 -0.41 0.23 1.06 0.00 -1.26 -4.24 105.19 98.95 2krr n GLY 172 Ca 0.08 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 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 1.32 -0.48 0.00 0.99 3.38 -0.58 -3.55 115.31 116.39 2krr h LEU 173 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2krr h LEU 173 Cb 0.28 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2krr h LEU 173 CO 0.00 -0.32 0.00 1.21 0.09 0.00 0.00 178.44 179.42