#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkl n PHE 25 N 0.00 0.00 -2.38 3.52 7.35 -1.26 -4.86 117.46 119.83 2kkl n PHE 25 Ca 0.00 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.28 2kkl n PHE 25 Cb 0.00 -0.16 -0.04 0.00 0.35 0.00 0.00 39.48 39.64 2kkl n PHE 25 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 2kkl s ARG 26 N -0.36 4.51 0.54 -4.13 3.52 -1.26 -4.99 118.95 116.78 2kkl s ARG 26 Ca 0.00 1.88 -0.21 0.00 -0.13 0.00 0.00 55.73 57.27 2kkl s ARG 26 Cb 0.00 -3.22 -0.05 0.00 -1.56 0.00 0.00 34.95 30.12 2kkl s ARG 26 CO 0.00 -0.04 1.24 0.00 -0.81 0.00 0.00 175.30 175.69 2kkl s ALA 27 N -0.33 2.76 -1.56 6.12 0.00 -1.26 -4.88 121.76 122.60 2kkl s ALA 27 Ca 0.51 1.08 0.24 0.00 0.00 0.00 0.00 51.96 53.79 2kkl s ALA 27 Cb -0.33 -3.46 1.27 0.00 0.00 0.00 0.00 23.12 20.60 2kkl s ALA 27 CO 0.38 -1.06 1.81 -0.25 0.00 0.00 0.00 175.76 176.64 2kkl n ASP 28 N -1.07 0.00 -4.92 0.00 8.00 -1.26 -4.71 116.55 112.58 2kkl n ASP 28 Ca 0.11 -0.22 -0.26 0.00 0.71 0.00 0.00 54.79 55.13 2kkl n ASP 28 Cb 0.48 -0.22 0.01 0.00 -0.02 0.00 0.00 41.12 41.37 2kkl n ASP 28 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2kkl s PHE 29 N -2.44 3.38 -0.98 1.24 -0.12 -1.26 -4.91 117.98 112.89 2kkl s PHE 29 Ca 0.26 0.60 -0.25 0.00 -0.05 0.00 0.00 56.93 57.48 2kkl s PHE 29 Cb 0.16 -2.42 -0.21 0.00 -0.63 0.00 0.00 43.02 39.92 2kkl s PHE 29 CO 0.35 -0.45 2.12 1.28 -0.05 0.00 0.00 175.22 178.46 2kkl n LEU 30 N -2.30 1.21 0.00 -1.99 4.77 -1.26 -4.78 117.00 112.65 2kkl n LEU 30 Ca 0.02 -2.25 0.00 0.00 -0.03 0.00 0.00 56.01 53.75 2kkl n LEU 30 Cb 0.57 -1.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.00 2kkl n LEU 30 CO 0.51 -3.40 0.00 -0.24 -1.33 0.00 0.00 177.39 172.94 2kkl n SER 31 N 18.97 0.00 -4.58 -1.43 2.88 -1.26 -4.99 113.62 123.21 2kkl n SER 31 Ca 0.40 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.52 2kkl n SER 31 Cb 0.46 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.90 2kkl n SER 31 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2kkl s GLU 32 N 4.50 3.55 0.38 -1.46 8.01 -1.26 -5.00 118.70 127.42 2kkl s GLU 32 Ca 0.00 0.31 -0.26 0.00 0.01 0.00 0.00 54.97 55.03 2kkl s GLU 32 Cb 0.00 -3.99 -0.09 0.00 -4.31 0.00 0.00 34.13 25.74 2kkl s GLU 32 CO 0.00 -1.63 1.17 -0.51 0.01 0.00 0.00 175.26 174.31 2kkl s LEU 33 N 4.86 4.25 -0.33 1.80 1.02 -1.26 -4.86 118.68 124.15 2kkl s LEU 33 Ca 0.44 2.36 -0.38 0.00 0.02 0.00 0.00 54.13 56.57 2kkl s LEU 33 Cb -0.07 -3.95 -0.14 0.00 0.02 0.00 0.00 46.19 42.05 2kkl s LEU 33 CO 0.27 -0.61 2.03 0.47 0.02 0.00 0.00 176.35 178.53 2kkl n ASP 34 N 0.25 2.10 -2.68 2.29 8.00 -1.26 -4.75 116.55 120.50 2kkl n ASP 34 Ca 0.03 0.67 -0.05 0.00 0.71 0.00 0.00 54.79 56.16 2kkl n ASP 34 Cb 0.46 -1.18 0.08 0.00 -0.02 0.00 0.00 41.12 40.45 2kkl n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kkl n ALA 35 N 8.05 -1.96 -1.42 2.24 0.00 -1.26 -5.16 120.51 120.99 2kkl n ALA 35 Ca 0.38 -0.72 -0.33 0.00 0.00 0.00 0.00 53.44 52.77 2kkl n ALA 35 Cb 0.17 -1.95 0.06 0.00 0.00 0.00 0.00 19.45 17.73 2kkl n ALA 35 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kkl s PRO 36 N 0.10 2.58 0.47 0.00 0.04 -1.26 -4.98 135.00 131.96 2kkl s PRO 36 Ca 0.17 1.38 -0.24 0.00 0.04 0.00 0.00 61.00 62.34 2kkl s PRO 36 Cb 0.25 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.79 2kkl s PRO 36 CO -0.11 -1.42 1.32 0.00 0.04 0.00 0.00 177.00 176.83 2kkl s ALA 37 N -2.44 3.04 0.08 8.56 0.00 -1.26 -4.85 121.76 124.88 2kkl s ALA 37 Ca 0.66 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.87 2kkl s ALA 37 Cb -0.20 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.40 2kkl s ALA 37 CO 0.45 -1.05 0.00 0.94 0.00 0.00 0.00 175.76 176.10 2kkl n GLN 38 N -0.46 0.00 -1.43 0.00 7.27 -1.26 -5.08 117.38 116.41 2kkl n GLN 38 Ca 0.07 0.00 -0.58 0.00 0.07 0.00 0.00 57.00 56.56 2kkl n GLN 38 Cb 0.45 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.00 2kkl n GLN 38 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2kkl n ALA 39 N -2.66 0.21 1.67 1.69 0.00 -1.26 -4.75 120.51 115.41 2kkl n ALA 39 Ca 0.00 0.19 0.15 0.00 0.00 0.00 0.00 53.44 53.77 2kkl n ALA 39 Cb 0.00 -2.22 0.69 0.00 0.00 0.00 0.00 19.45 17.92 2kkl n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kkl n GLY 40 N 6.32 -0.51 4.11 0.00 0.00 -1.26 -4.93 105.19 108.93 2kkl n GLY 40 Ca 0.44 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 2kkl n GLY 40 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kkl n THR 41 N -0.42 -1.70 -1.99 2.61 -2.24 -1.26 -4.80 114.28 104.47 2kkl n THR 41 Ca 0.20 -0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 61.06 2kkl n THR 41 Cb 0.25 -1.51 -0.02 0.00 -2.10 0.00 0.00 70.33 66.95 2kkl n THR 41 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2kkl s GLU 42 N -7.18 4.25 2.90 -0.78 2.12 -1.26 -4.64 118.70 114.11 2kkl s GLU 42 Ca 0.25 2.33 0.00 0.00 0.36 0.00 0.00 54.97 57.91 2kkl s GLU 42 Cb -0.14 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.15 2kkl s GLU 42 CO 0.91 -0.44 0.00 0.43 -0.54 0.00 0.00 175.26 175.61 2kkl n SER 43 N 2.34 0.00 0.00 -1.70 7.64 -1.26 -4.43 113.62 116.20 2kkl n SER 43 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 2kkl n SER 43 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 2kkl n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kkl n ALA 44 N 9.22 0.00 -1.81 -0.43 0.00 -1.26 -5.13 120.51 121.10 2kkl n ALA 44 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2kkl n ALA 44 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2kkl n ALA 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2kkl s VAL 45 N -0.18 3.40 -0.29 0.00 -7.23 -1.26 -4.31 120.40 110.53 2kkl s VAL 45 Ca 0.00 1.37 -0.05 0.00 -1.81 0.00 0.00 61.98 61.49 2kkl s VAL 45 Cb 0.00 -3.87 0.01 0.00 0.56 0.00 0.00 36.38 33.07 2kkl s VAL 45 CO 0.00 0.31 0.15 -1.20 -0.31 0.00 0.00 175.10 174.05 2kkl n SER 46 N 1.36 -7.70 -0.08 4.85 7.64 -1.26 -5.00 113.62 113.42 2kkl n SER 46 Ca -0.00 1.03 -0.08 0.00 1.01 0.00 0.00 58.87 60.83 2kkl n SER 46 Cb 0.44 -4.63 -0.03 0.00 -1.01 0.00 0.00 64.21 58.98 2kkl n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kkl n GLY 47 N 0.55 -0.53 0.17 0.23 0.00 -1.26 -4.65 105.19 99.70 2kkl n GLY 47 Ca 0.02 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 2kkl n GLY 47 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2kkl h VAL 48 N -0.92 1.22 -6.33 1.61 2.07 -1.96 -3.48 116.25 108.47 2kkl h VAL 48 Ca 0.00 -0.76 -0.33 0.00 0.82 0.00 0.00 66.70 66.43 2kkl h VAL 48 Cb 0.92 1.14 0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2kkl h VAL 48 CO 0.00 0.25 -1.07 1.21 0.02 0.00 0.00 177.57 177.98 2kkl n GLU 49 N -4.65 -1.98 -1.96 1.57 2.13 -1.26 -4.49 120.64 110.00 2kkl n GLU 49 Ca -0.02 1.51 0.00 0.00 0.66 0.00 0.00 57.16 59.31 2kkl n GLU 49 Cb 0.20 -2.74 0.00 0.00 0.27 0.00 0.00 31.44 29.17 2kkl n GLU 49 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kkl n GLY 50 N -0.32 -5.26 3.57 8.31 0.00 -1.26 -5.00 105.19 105.23 2kkl n GLY 50 Ca -0.07 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 2kkl n GLY 50 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kkl s LEU 51 N -0.47 3.14 0.96 0.99 2.34 -1.26 -5.10 118.68 119.28 2kkl s LEU 51 Ca 0.00 -0.04 -0.14 0.00 0.06 0.00 0.00 54.13 54.02 2kkl s LEU 51 Cb 0.00 -1.68 0.01 0.00 -0.56 0.00 0.00 46.19 43.95 2kkl s LEU 51 CO 0.00 0.35 0.19 -2.65 -1.06 0.00 0.00 176.35 173.19 2kkl n PRO 52 N 2.28 -0.28 -2.29 1.48 -0.02 -1.26 -4.79 135.00 130.11 2kkl n PRO 52 Ca -0.18 -0.05 -0.38 0.00 -2.02 0.00 0.00 63.50 60.87 2kkl n PRO 52 Cb 0.53 -1.71 -0.02 0.00 -0.02 0.00 0.00 33.50 32.28 2kkl n PRO 52 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2kkl s PRO 53 N -3.36 4.04 0.00 0.52 0.04 -1.26 -3.39 135.00 131.59 2kkl s PRO 53 Ca 0.54 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.41 2kkl s PRO 53 Cb -0.20 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.68 2kkl s PRO 53 CO 0.70 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.82 2kkl n GLY 54 N 0.61 0.61 3.33 0.56 0.00 -1.26 -5.05 105.19 103.99 2kkl n GLY 54 Ca 0.04 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 2kkl n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kkl s LEU 55 N 0.00 2.35 0.05 0.99 1.43 -1.22 -5.00 118.68 117.28 2kkl s LEU 55 Ca 0.00 -0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 52.24 2kkl s LEU 55 Cb 0.00 -0.96 0.01 0.00 0.03 0.00 0.00 46.19 45.27 2kkl s LEU 55 CO 0.00 0.06 0.23 0.00 0.23 0.00 0.00 176.35 176.87 2kkl s ALA 56 N -1.40 -0.43 0.10 4.21 0.00 -1.26 -4.53 121.76 118.45 2kkl s ALA 56 Ca 0.11 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 51.84 2kkl s ALA 56 Cb -0.09 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 2kkl s ALA 56 CO 0.06 -0.42 -0.12 -0.51 0.00 0.00 0.00 175.76 174.77 2kkl s LEU 57 N -2.28 2.37 -0.07 0.00 1.02 -1.05 -2.34 118.68 116.33 2kkl s LEU 57 Ca -0.02 -0.75 0.05 0.00 0.02 0.00 0.00 54.13 53.42 2kkl s LEU 57 Cb 0.00 -0.43 -0.01 0.00 0.02 0.00 0.00 46.19 45.77 2kkl s LEU 57 CO -0.06 -0.18 -0.22 -0.76 0.02 0.00 0.00 176.35 175.15 2kkl s LEU 58 N -2.23 2.22 -0.05 1.79 1.43 -1.06 -2.66 118.68 118.12 2kkl s LEU 58 Ca 0.04 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.74 2kkl s LEU 58 Cb -0.06 -1.42 -0.01 0.00 0.03 0.00 0.00 46.19 44.73 2kkl s LEU 58 CO 0.02 0.24 -0.21 -0.69 0.23 0.00 0.00 176.35 175.94 2kkl s VAL 59 N -0.14 1.74 0.24 -1.59 1.01 -1.05 -2.13 120.40 118.49 2kkl s VAL 59 Ca -0.04 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 2kkl s VAL 59 Cb -0.14 -1.49 -0.10 0.00 0.00 0.00 0.00 36.38 34.66 2kkl s VAL 59 CO 0.04 0.49 1.36 -0.69 0.00 0.00 0.00 175.10 176.31 2kkl s VAL 60 N -0.07 2.89 0.00 2.92 1.01 -1.07 -1.64 120.40 124.44 2kkl s VAL 60 Ca -0.04 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.71 2kkl s VAL 60 Cb -0.13 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.77 2kkl s VAL 60 CO 0.03 0.13 0.00 1.17 0.00 0.00 0.00 175.10 176.43 2kkl n LYS 61 N 2.20 0.00 -4.31 2.72 4.81 -0.58 -4.43 118.16 118.56 2kkl n LYS 61 Ca 0.05 0.23 -0.20 0.00 -0.87 0.00 0.00 58.31 57.52 2kkl n LYS 61 Cb 0.41 -0.68 -0.13 0.00 0.02 0.00 0.00 35.03 34.66 2kkl n LYS 61 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2kkl s ARG 62 N -0.59 0.96 0.00 1.64 0.52 -1.26 -4.87 118.95 115.35 2kkl s ARG 62 Ca 0.00 -0.89 0.00 0.00 -0.52 0.00 0.00 55.73 54.32 2kkl s ARG 62 Cb 0.00 -1.01 0.00 0.00 0.52 0.00 0.00 34.95 34.46 2kkl s ARG 62 CO 0.00 0.24 0.00 0.41 0.02 0.00 0.00 175.30 175.97 2kkl n GLY 63 N 1.58 0.38 0.28 -3.53 0.00 -1.26 -4.31 105.19 98.32 2kkl n GLY 63 Ca -0.19 -1.49 0.18 0.00 0.00 0.00 0.00 46.02 44.52 2kkl n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kkl h PRO 64 N 0.00 0.00 0.00 1.61 0.13 -2.01 -3.33 132.00 128.40 2kkl h PRO 64 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kkl h PRO 64 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kkl h PRO 64 CO 0.00 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.86 2kkl n ASN 65 N -2.93 0.00 -1.90 1.44 4.13 -1.26 -5.08 115.26 109.66 2kkl n ASN 65 Ca -0.01 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.25 2kkl n ASN 65 Cb 0.19 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.43 2kkl n ASN 65 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kkl n ALA 66 N -0.90 -1.94 0.00 5.41 0.00 -1.25 -4.68 120.51 117.15 2kkl n ALA 66 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2kkl n ALA 66 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.01 2kkl n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kkl n GLY 67 N 0.39 3.28 3.77 0.00 0.00 -1.26 -5.03 105.19 106.33 2kkl n GLY 67 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2kkl n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kkl s SER 68 N -0.72 6.19 0.05 1.61 0.01 -1.26 -4.91 113.70 114.67 2kkl s SER 68 Ca 0.00 2.30 -0.08 0.00 1.31 0.00 0.00 55.95 59.49 2kkl s SER 68 Cb 0.00 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.62 2kkl s SER 68 CO 0.00 -0.90 0.15 0.00 0.41 0.00 0.00 173.24 172.90 2kkl s ARG 69 N -2.68 0.70 0.03 12.44 1.70 -1.26 -2.59 118.95 127.28 2kkl s ARG 69 Ca 0.63 -0.79 0.05 0.00 -0.47 0.00 0.00 55.73 55.15 2kkl s ARG 69 Cb -0.28 0.28 -0.02 0.00 -0.57 0.00 0.00 34.95 34.36 2kkl s ARG 69 CO 0.35 -0.20 -0.14 -0.06 -1.08 0.00 0.00 175.30 174.17 2kkl s PHE 70 N -3.01 1.27 -0.20 5.89 0.08 -0.91 -4.98 117.98 116.13 2kkl s PHE 70 Ca -0.02 -0.33 -0.07 0.00 0.12 0.00 0.00 56.93 56.63 2kkl s PHE 70 Cb 0.01 -0.77 -0.04 0.00 -0.57 0.00 0.00 43.02 41.65 2kkl s PHE 70 CO -0.06 0.03 0.07 -1.17 -0.10 0.00 0.00 175.22 173.98 2kkl s LEU 71 N -0.95 3.75 -1.09 -0.37 2.96 -1.26 -2.58 118.68 119.14 2kkl s LEU 71 Ca 0.03 0.03 -0.06 0.00 -0.22 0.00 0.00 54.13 53.91 2kkl s LEU 71 Cb -0.07 -1.96 0.30 0.00 0.50 0.00 0.00 46.19 44.95 2kkl s LEU 71 CO 0.01 0.13 1.34 0.18 -1.32 0.00 0.00 176.35 176.69 2kkl n LEU 72 N 3.82 6.07 -0.82 -0.68 4.77 -0.99 -4.70 117.00 124.46 2kkl n LEU 72 Ca -0.16 -5.15 0.11 0.00 -0.03 0.00 0.00 56.01 50.78 2kkl n LEU 72 Cb 0.52 -1.35 0.29 0.00 -2.33 0.00 0.00 43.42 40.55 2kkl n LEU 72 CO 0.34 1.56 0.74 -0.90 -1.33 0.00 0.00 177.39 177.80 2kkl n ASP 73 N 1.85 2.48 -4.76 -1.43 5.75 -1.26 -4.33 116.55 114.85 2kkl n ASP 73 Ca 0.25 -1.84 -0.28 0.00 -0.01 0.00 0.00 54.79 52.92 2kkl n ASP 73 Cb 0.35 -0.14 -0.06 0.00 -1.03 0.00 0.00 41.12 40.24 2kkl n ASP 73 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2kkl s GLN 74 N -1.72 2.80 0.14 0.11 -1.52 -1.26 -5.02 119.66 113.18 2kkl s GLN 74 Ca 0.35 -0.85 -0.16 0.00 -1.95 0.00 0.00 55.36 52.75 2kkl s GLN 74 Cb 0.20 -2.62 0.00 0.00 -0.22 0.00 0.00 33.01 30.37 2kkl s GLN 74 CO 0.29 0.51 1.70 0.00 -0.25 0.00 0.00 175.29 177.54 2kkl h ALA 75 N 2.79 0.53 -3.31 6.09 0.00 -1.95 -3.42 119.26 119.99 2kkl h ALA 75 Ca -0.47 -0.13 -0.58 0.00 0.00 0.00 0.00 54.91 53.73 2kkl h ALA 75 Cb 1.19 -0.16 -0.34 0.00 0.00 0.00 0.00 17.79 18.47 2kkl h ALA 75 CO 0.63 0.11 -0.83 0.42 0.00 0.00 0.00 179.25 179.58 2kkl s ILE 76 N -5.62 1.47 -0.13 0.00 1.01 -1.26 -1.05 121.20 115.61 2kkl s ILE 76 Ca -0.13 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 59.88 2kkl s ILE 76 Cb 0.10 -1.33 0.02 0.00 0.01 0.00 0.00 42.46 41.26 2kkl s ILE 76 CO 0.75 0.43 -0.12 -0.89 0.00 0.00 0.00 174.94 175.11 2kkl s THR 77 N 0.86 1.36 0.65 2.92 2.01 -0.83 -4.85 115.64 117.75 2kkl s THR 77 Ca -0.10 -0.51 -0.07 0.00 0.31 0.00 0.00 61.69 61.33 2kkl s THR 77 Cb -0.15 -1.30 0.03 0.00 0.01 0.00 0.00 72.50 71.08 2kkl s THR 77 CO 0.01 0.42 0.98 -0.94 -0.69 0.00 0.00 174.62 174.40 2kkl s SER 78 N 1.51 5.29 0.43 3.53 1.04 -1.26 -0.69 113.70 123.56 2kkl s SER 78 Ca 0.04 0.71 0.08 0.00 0.48 0.00 0.00 55.95 57.25 2kkl s SER 78 Cb -0.13 -1.55 -0.00 0.00 0.10 0.00 0.00 66.02 64.44 2kkl s SER 78 CO -0.09 -1.30 0.47 0.00 0.98 0.00 0.00 173.24 173.30 2kkl s ALA 79 N -3.15 4.27 0.00 5.32 0.00 -0.53 -4.39 121.76 123.28 2kkl s ALA 79 Ca 0.57 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.72 2kkl s ALA 79 Cb -0.11 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.79 2kkl s ALA 79 CO 0.46 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.34 2kkl n GLY 80 N -1.70 2.36 3.46 0.00 0.00 -1.26 -4.30 105.19 103.76 2kkl n GLY 80 Ca 0.05 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 2kkl n GLY 80 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kkl s ARG 81 N 0.00 3.52 -0.29 1.61 3.52 -1.22 -2.98 118.95 123.12 2kkl s ARG 81 Ca 0.00 -0.57 -0.22 0.00 -0.13 0.00 0.00 55.73 54.81 2kkl s ARG 81 Cb 0.00 -2.80 0.14 0.00 -1.56 0.00 0.00 34.95 30.73 2kkl s ARG 81 CO 0.00 0.26 1.07 -1.58 -0.81 0.00 0.00 175.30 174.24 2kkl s HIS 82 N 0.27 -0.45 0.16 5.12 2.46 -1.26 -4.74 115.29 116.86 2kkl s HIS 82 Ca -0.05 1.00 -0.29 0.00 0.47 0.00 0.00 55.06 56.19 2kkl s HIS 82 Cb -0.15 0.36 -0.02 0.00 -0.13 0.00 0.00 32.58 32.65 2kkl s HIS 82 CO 0.04 -0.22 1.55 -1.35 -2.47 0.00 0.00 174.74 172.29 2kkl h PRO 83 N 4.76 -0.14 -4.34 2.88 0.11 -2.00 -3.24 132.00 130.03 2kkl h PRO 83 Ca -0.28 0.01 -0.74 0.00 0.11 0.00 0.00 66.00 65.10 2kkl h PRO 83 Cb 1.18 0.03 -0.22 0.00 0.11 0.00 0.00 31.00 32.10 2kkl h PRO 83 CO 0.15 -0.10 0.28 -0.51 -0.21 0.00 0.00 178.00 177.61 2kkl s ASP 84 N -5.30 6.57 -0.30 -2.05 1.01 -1.26 -4.94 116.67 110.41 2kkl s ASP 84 Ca -0.13 -2.20 -0.16 0.00 0.71 0.00 0.00 52.55 50.77 2kkl s ASP 84 Cb 0.12 -2.28 0.17 0.00 1.01 0.00 0.00 42.92 41.94 2kkl s ASP 84 CO 0.64 -0.83 1.03 -0.94 0.21 0.00 0.00 175.17 175.27 2kkl s SER 85 N 2.95 -0.50 0.27 0.27 1.04 -1.23 -4.10 113.70 112.41 2kkl s SER 85 Ca 0.20 0.70 0.03 0.00 0.48 0.00 0.00 55.95 57.35 2kkl s SER 85 Cb -0.13 1.54 0.38 0.00 0.10 0.00 0.00 66.02 67.91 2kkl s SER 85 CO -0.05 -0.10 1.69 0.44 0.98 0.00 0.00 173.24 176.20 2kkl h ASP 86 N 7.27 0.45 -3.38 7.02 3.32 -1.87 -3.42 116.42 125.81 2kkl h ASP 86 Ca -0.17 -0.17 -0.54 0.00 0.02 0.00 0.00 57.03 56.18 2kkl h ASP 86 Cb 1.12 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 2kkl h ASP 86 CO 0.09 0.75 0.40 -0.63 -1.72 0.00 0.00 179.24 178.13 2kkl s ILE 87 N -4.36 4.70 -0.45 0.35 1.01 -1.26 -4.82 121.20 116.36 2kkl s ILE 87 Ca -0.06 1.95 0.02 0.00 0.00 0.00 0.00 60.65 62.56 2kkl s ILE 87 Cb 0.13 -4.25 0.14 0.00 0.01 0.00 0.00 42.46 38.49 2kkl s ILE 87 CO 0.79 0.16 0.25 -0.36 0.00 0.00 0.00 174.94 175.78 2kkl s PHE 88 N 0.98 2.08 -0.49 3.97 0.08 -1.26 -4.53 117.98 118.82 2kkl s PHE 88 Ca 0.53 -2.50 -0.15 0.00 0.12 0.00 0.00 56.93 54.94 2kkl s PHE 88 Cb -0.23 -1.95 0.09 0.00 -0.57 0.00 0.00 43.02 40.37 2kkl s PHE 88 CO 0.28 -0.77 0.41 -0.51 -0.10 0.00 0.00 175.22 174.53 2kkl s LEU 89 N 0.25 5.74 -0.97 -0.37 1.43 -1.16 -5.01 118.68 118.60 2kkl s LEU 89 Ca 0.18 -1.52 -0.16 0.00 -1.03 0.00 0.00 54.13 51.60 2kkl s LEU 89 Cb -0.23 -2.16 0.17 0.00 0.03 0.00 0.00 46.19 44.00 2kkl s LEU 89 CO -0.01 -0.70 1.10 1.51 0.23 0.00 0.00 176.35 178.48 2kkl s ASP 90 N 2.84 6.78 -0.02 2.29 -4.77 -1.26 -4.41 116.67 118.12 2kkl s ASP 90 Ca 0.04 -2.45 -0.16 0.00 -3.30 0.00 0.00 52.55 46.68 2kkl s ASP 90 Cb -0.26 -2.35 0.03 0.00 -1.09 0.00 0.00 42.92 39.25 2kkl s ASP 90 CO 0.05 -0.85 0.33 -1.81 0.70 0.00 0.00 175.17 173.59 2kkl s ASP 91 N 3.02 -0.23 0.36 2.11 1.01 -1.26 -5.03 116.67 116.65 2kkl s ASP 91 Ca 0.31 0.15 0.18 0.00 0.71 0.00 0.00 52.55 53.90 2kkl s ASP 91 Cb -0.06 0.34 0.61 0.00 1.01 0.00 0.00 42.92 44.83 2kkl s ASP 91 CO -0.08 -0.44 1.70 -0.37 0.21 0.00 0.00 175.17 176.19 2kkl h VAL 92 N 3.84 0.92 0.00 -1.27 -1.51 -2.01 -2.70 116.25 113.52 2kkl h VAL 92 Ca -0.29 -1.61 0.00 0.00 -1.23 0.00 0.00 66.70 63.56 2kkl h VAL 92 Cb 1.17 1.98 0.00 0.00 -2.13 0.00 0.00 31.29 32.31 2kkl h VAL 92 CO 0.39 0.39 0.00 0.71 -1.23 0.00 0.00 177.57 177.84 2kkl h THR 93 N 0.00 0.00 -3.35 7.19 1.35 -1.99 -3.41 112.91 112.70 2kkl h THR 93 Ca -0.00 -0.42 -0.65 0.00 -0.55 0.00 0.00 66.41 64.79 2kkl h THR 93 Cb 0.95 1.30 -0.25 0.00 -1.73 0.00 0.00 68.15 68.43 2kkl h THR 93 CO 0.05 0.00 -0.70 -0.69 -0.25 0.00 0.00 175.52 173.93 2kkl s VAL 94 N -3.43 3.56 0.84 6.82 1.01 -1.02 -4.45 120.40 123.73 2kkl s VAL 94 Ca 0.04 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 2kkl s VAL 94 Cb 0.09 -2.57 0.10 0.00 0.00 0.00 0.00 36.38 34.00 2kkl s VAL 94 CO 0.49 0.47 1.14 -0.94 0.00 0.00 0.00 175.10 176.27 2kkl s SER 95 N 0.72 4.17 0.26 3.32 1.04 -1.26 -4.65 113.70 117.30 2kkl s SER 95 Ca -0.03 0.98 -0.04 0.00 0.48 0.00 0.00 55.95 57.34 2kkl s SER 95 Cb -0.15 -1.57 0.31 0.00 0.10 0.00 0.00 66.02 64.71 2kkl s SER 95 CO 0.02 -2.14 1.80 0.03 0.98 0.00 0.00 173.24 173.94 2kkl h ARG 96 N -1.21 0.96 -1.31 4.02 3.08 -1.87 -3.26 114.38 114.79 2kkl h ARG 96 Ca -0.48 -0.19 -0.48 0.00 0.07 0.00 0.00 59.98 58.90 2kkl h ARG 96 Cb 1.31 -0.15 -0.41 0.00 0.08 0.00 0.00 29.97 30.81 2kkl h ARG 96 CO 0.63 0.83 -0.96 0.54 -1.07 0.00 0.00 179.97 179.94 2kkl n ARG 97 N -4.27 2.28 -0.28 0.04 1.74 -1.26 -3.42 116.66 111.48 2kkl n ARG 97 Ca 0.05 -3.90 -0.06 0.00 -0.77 0.00 0.00 57.85 53.18 2kkl n ARG 97 Cb 0.22 -1.76 0.06 0.00 -1.02 0.00 0.00 32.46 29.96 2kkl n ARG 97 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2kkl h HIS 98 N 2.80 1.14 -3.68 -1.55 2.76 -1.81 -3.42 115.15 111.40 2kkl h HIS 98 Ca 0.10 -0.06 -0.08 0.00 -2.20 0.00 0.00 60.37 58.13 2kkl h HIS 98 Cb 1.03 -0.35 -0.14 0.00 1.55 0.00 0.00 27.41 29.51 2kkl h HIS 98 CO 0.66 0.84 -0.28 0.00 -1.30 0.00 0.00 177.93 177.85 2kkl s ALA 99 N -5.66 -0.44 0.05 5.26 0.00 -1.26 -3.95 121.76 115.76 2kkl s ALA 99 Ca -0.13 -0.44 0.03 0.00 0.00 0.00 0.00 51.96 51.43 2kkl s ALA 99 Cb 0.15 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 2kkl s ALA 99 CO 0.82 -0.55 -0.09 -2.00 0.00 0.00 0.00 175.76 173.94 2kkl s GLU 100 N -3.82 0.62 -0.05 0.00 2.12 -0.62 -1.45 118.70 115.52 2kkl s GLU 100 Ca 0.04 -0.84 0.04 0.00 0.36 0.00 0.00 54.97 54.57 2kkl s GLU 100 Cb 0.04 -0.43 -0.03 0.00 0.26 0.00 0.00 34.13 33.97 2kkl s GLU 100 CO -0.11 0.08 -0.15 -0.06 -0.54 0.00 0.00 175.26 174.49 2kkl s PHE 101 N -1.47 2.69 -0.02 5.30 0.08 0.13 -0.85 117.98 123.86 2kkl s PHE 101 Ca -0.07 -0.16 0.02 0.00 0.12 0.00 0.00 56.93 56.84 2kkl s PHE 101 Cb -0.09 -1.62 0.00 0.00 -0.57 0.00 0.00 43.02 40.74 2kkl s PHE 101 CO 0.01 0.18 -0.06 0.50 -0.10 0.00 0.00 175.22 175.75 2kkl s ARG 102 N -0.74 0.64 -0.21 0.44 3.52 -0.89 -1.97 118.95 119.74 2kkl s ARG 102 Ca 0.11 -0.21 -0.08 0.00 -0.13 0.00 0.00 55.73 55.43 2kkl s ARG 102 Cb -0.11 -0.63 -0.04 0.00 -1.56 0.00 0.00 34.95 32.61 2kkl s ARG 102 CO 0.00 0.08 0.09 -1.17 -0.81 0.00 0.00 175.30 173.50 2kkl s LEU 103 N 0.16 3.89 -0.15 -0.88 2.96 -0.21 -2.11 118.68 122.35 2kkl s LEU 103 Ca -0.02 0.07 -0.21 0.00 -0.22 0.00 0.00 54.13 53.75 2kkl s LEU 103 Cb -0.06 -2.01 0.05 0.00 0.50 0.00 0.00 46.19 44.67 2kkl s LEU 103 CO -0.00 0.13 0.55 -0.70 -1.32 0.00 0.00 176.35 175.00 2kkl s GLU 104 N 0.67 0.75 -1.46 1.98 2.56 -0.81 -4.92 118.70 117.47 2kkl s GLU 104 Ca 0.05 0.52 -0.12 0.00 0.00 0.00 0.00 54.97 55.42 2kkl s GLU 104 Cb -0.13 0.36 0.05 0.00 2.00 0.00 0.00 34.13 36.41 2kkl s GLU 104 CO 0.01 -0.15 1.05 -1.71 -0.56 0.00 0.00 175.26 173.90 2kkl n ASN 105 N 2.13 -5.54 -2.67 -1.70 2.85 -1.26 -0.92 115.26 108.15 2kkl n ASN 105 Ca -0.16 -0.65 -0.18 0.00 -0.11 0.00 0.00 54.58 53.47 2kkl n ASN 105 Cb 0.56 -4.39 0.00 0.00 1.24 0.00 0.00 39.78 37.20 2kkl n ASN 105 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2kkl n ASN 106 N -2.89 -4.87 -3.78 1.20 5.03 -1.26 -4.95 115.26 103.74 2kkl n ASN 106 Ca 0.02 -0.04 -0.15 0.00 0.87 0.00 0.00 54.58 55.28 2kkl n ASN 106 Cb 0.54 -4.05 -0.16 0.00 -1.02 0.00 0.00 39.78 35.09 2kkl n ASN 106 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2kkl s GLU 107 N -5.31 -0.00 0.29 3.52 0.41 -0.10 -4.94 118.70 112.57 2kkl s GLU 107 Ca 0.12 0.16 -0.20 0.00 -0.41 0.00 0.00 54.97 54.63 2kkl s GLU 107 Cb -0.06 -0.25 -0.09 0.00 -1.78 0.00 0.00 34.13 31.95 2kkl s GLU 107 CO 0.14 -0.15 0.81 -0.06 -0.49 0.00 0.00 175.26 175.51 2kkl s PHE 108 N 0.97 3.56 0.19 1.61 0.08 -1.26 -1.91 117.98 121.21 2kkl s PHE 108 Ca -0.08 1.48 -0.09 0.00 0.12 0.00 0.00 56.93 58.36 2kkl s PHE 108 Cb -0.12 -2.70 -0.01 0.00 -0.57 0.00 0.00 43.02 39.62 2kkl s PHE 108 CO -0.03 0.20 0.31 0.54 -0.10 0.00 0.00 175.22 176.15 2kkl s ASN 109 N -1.83 0.02 -0.03 1.36 2.20 -0.90 -2.01 114.94 113.75 2kkl s ASN 109 Ca 0.49 -0.96 0.03 0.00 -0.94 0.00 0.00 52.86 51.48 2kkl s ASN 109 Cb -0.15 0.47 0.00 0.00 -2.00 0.00 0.00 41.25 39.57 2kkl s ASN 109 CO 0.20 -0.95 -0.12 0.54 -2.94 0.00 0.00 177.10 173.83 2kkl s VAL 110 N -4.01 0.99 -0.07 3.54 0.11 -0.91 -2.10 120.40 117.95 2kkl s VAL 110 Ca 0.22 -0.47 0.03 0.00 -2.93 0.00 0.00 61.98 58.82 2kkl s VAL 110 Cb 0.03 -0.87 0.01 0.00 -1.53 0.00 0.00 36.38 34.01 2kkl s VAL 110 CO 0.04 0.30 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.25 2kkl s VAL 111 N 0.15 1.46 -0.10 2.04 1.01 -0.03 -2.55 120.40 122.39 2kkl s VAL 111 Ca -0.03 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 2kkl s VAL 111 Cb -0.10 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 2kkl s VAL 111 CO 0.01 0.43 0.33 -1.81 0.00 0.00 0.00 175.10 174.06 2kkl s ASP 112 N 0.47 6.58 0.00 3.32 1.01 -1.01 -1.58 116.67 125.44 2kkl s ASP 112 Ca -0.14 0.68 0.12 0.00 0.71 0.00 0.00 52.55 53.92 2kkl s ASP 112 Cb -0.16 -2.20 0.01 0.00 1.01 0.00 0.00 42.92 41.58 2kkl s ASP 112 CO 0.05 0.19 0.74 1.33 0.21 0.00 0.00 175.17 177.69 2kkl n VAL 113 N 2.85 0.00 -3.14 -1.27 0.24 -1.25 -4.62 118.33 111.13 2kkl n VAL 113 Ca -0.13 -0.40 -0.39 0.00 -2.04 0.00 0.00 64.34 61.38 2kkl n VAL 113 Cb 0.52 1.16 -0.05 0.00 -1.47 0.00 0.00 33.84 34.00 2kkl n VAL 113 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2kkl s GLY 114 N -1.45 2.53 0.00 7.63 0.00 -1.26 -4.05 107.32 110.72 2kkl s GLY 114 Ca 0.11 0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.84 2kkl s GLY 114 CO 0.28 1.04 0.00 -1.26 0.00 0.00 0.00 173.10 173.16 2kkl n SER 115 N 3.77 -0.45 0.00 1.64 2.88 -1.26 0.14 113.62 120.34 2kkl n SER 115 Ca -0.03 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 2kkl n SER 115 Cb 0.51 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 2kkl n SER 115 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2kkl n LEU 116 N -1.67 0.79 -3.44 2.46 7.94 -1.26 -4.82 117.00 117.00 2kkl n LEU 116 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 2kkl n LEU 116 Cb 0.23 -2.04 -0.05 0.00 0.53 0.00 0.00 43.42 42.08 2kkl n LEU 116 CO 0.00 -0.77 0.10 0.21 -1.11 0.00 0.00 177.39 175.82 2kkl s ASN 117 N -1.58 -0.66 0.11 1.96 2.47 0.37 -4.37 114.94 113.24 2kkl s ASN 117 Ca 0.00 0.91 0.00 0.00 0.42 0.00 0.00 52.86 54.19 2kkl s ASN 117 Cb 0.00 1.75 0.00 0.00 -1.45 0.00 0.00 41.25 41.55 2kkl s ASN 117 CO 0.00 -0.25 0.00 0.61 -3.72 0.00 0.00 177.10 173.74 2kkl n GLY 118 N 5.41 -0.97 3.75 1.21 0.00 -1.26 -4.81 105.19 108.53 2kkl n GLY 118 Ca -0.06 0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2kkl n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kkl s THR 119 N -1.28 2.86 0.04 2.61 2.01 -1.26 -4.92 115.64 115.69 2kkl s THR 119 Ca 0.00 0.77 0.06 0.00 0.31 0.00 0.00 61.69 62.83 2kkl s THR 119 Cb 0.00 -3.49 -0.02 0.00 0.01 0.00 0.00 72.50 68.99 2kkl s THR 119 CO 0.00 0.15 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.60 2kkl s TYR 120 N -0.47 1.46 0.21 4.92 2.02 -1.26 -4.25 117.35 119.98 2kkl s TYR 120 Ca 0.54 -0.36 0.07 0.00 -0.37 0.00 0.00 57.07 56.95 2kkl s TYR 120 Cb -0.39 -0.87 -0.04 0.00 -0.40 0.00 0.00 41.96 40.26 2kkl s TYR 120 CO 0.46 0.06 0.06 0.54 -1.57 0.00 0.00 175.55 175.09 2kkl s VAL 121 N -0.82 3.92 0.30 0.71 0.11 -1.26 -4.32 120.40 119.04 2kkl s VAL 121 Ca 0.04 -1.49 0.04 0.00 -2.93 0.00 0.00 61.98 57.65 2kkl s VAL 121 Cb -0.08 -3.03 0.30 0.00 -1.53 0.00 0.00 36.38 32.03 2kkl s VAL 121 CO 0.01 -0.22 1.82 0.78 -3.33 0.00 0.00 175.10 174.16 2kkl h ASN 122 N 2.22 0.84 0.00 3.54 2.35 -2.02 -3.21 115.58 119.30 2kkl h ASN 122 Ca -0.47 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 2kkl h ASN 122 Cb 1.22 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.49 2kkl h ASN 122 CO 0.60 0.39 0.00 0.54 -1.65 0.00 0.00 177.43 177.31 2kkl n ARG 123 N -4.66 0.00 -3.88 0.81 5.12 -1.26 -4.91 116.66 107.87 2kkl n ARG 123 Ca 0.21 0.04 -0.11 0.00 -1.93 0.00 0.00 57.85 56.06 2kkl n ARG 123 Cb 0.46 -0.83 -0.11 0.00 -1.16 0.00 0.00 32.46 30.82 2kkl n ARG 123 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2kkl s GLU 124 N -0.66 0.36 0.01 5.56 0.41 -1.21 -5.12 118.70 118.05 2kkl s GLU 124 Ca 0.00 -0.30 -0.30 0.00 -0.41 0.00 0.00 54.97 53.96 2kkl s GLU 124 Cb 0.00 0.15 -0.08 0.00 -1.78 0.00 0.00 34.13 32.42 2kkl s GLU 124 CO 0.00 -0.08 1.81 -1.25 -0.49 0.00 0.00 175.26 175.26 2kkl s PRO 125 N -1.03 4.16 0.12 0.39 0.04 -1.26 -4.04 135.00 133.38 2kkl s PRO 125 Ca -0.11 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.36 2kkl s PRO 125 Cb -0.06 -4.02 -0.04 0.00 0.04 0.00 0.00 34.50 30.42 2kkl s PRO 125 CO 0.01 -0.89 0.00 0.14 0.04 0.00 0.00 177.00 176.30 2kkl s VAL 126 N 4.05 0.40 0.32 -0.36 -7.23 -1.26 -4.99 120.40 111.32 2kkl s VAL 126 Ca 0.81 -1.92 0.06 0.00 -1.81 0.00 0.00 61.98 59.12 2kkl s VAL 126 Cb -0.39 -1.91 0.09 0.00 0.56 0.00 0.00 36.38 34.72 2kkl s VAL 126 CO 0.36 -0.63 1.78 -2.24 -0.31 0.00 0.00 175.10 174.05 2kkl h ASP 127 N 2.88 0.32 -5.10 4.85 2.03 -1.83 -3.42 116.42 116.16 2kkl h ASP 127 Ca -0.35 -0.10 -0.06 0.00 -0.73 0.00 0.00 57.03 55.78 2kkl h ASP 127 Cb 1.18 -0.09 -0.13 0.00 -0.83 0.00 0.00 39.33 39.47 2kkl h ASP 127 CO 0.62 0.59 -0.14 -0.94 -1.03 0.00 0.00 179.24 178.35 2kkl s SER 128 N -6.85 -0.16 0.08 4.15 1.04 -1.26 -2.41 113.70 108.29 2kkl s SER 128 Ca -0.06 -0.40 -0.24 0.00 0.48 0.00 0.00 55.95 55.74 2kkl s SER 128 Cb 0.14 0.45 0.06 0.00 0.10 0.00 0.00 66.02 66.77 2kkl s SER 128 CO 0.77 -0.83 0.57 0.00 0.98 0.00 0.00 173.24 174.73 2kkl s ALA 129 N -3.82 -1.50 -0.09 5.32 0.00 -1.06 -5.04 121.76 115.58 2kkl s ALA 129 Ca 0.04 0.64 -0.21 0.00 0.00 0.00 0.00 51.96 52.42 2kkl s ALA 129 Cb 0.02 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 2kkl s ALA 129 CO -0.11 -0.60 0.59 0.08 0.00 0.00 0.00 175.76 175.72 2kkl s VAL 130 N -2.87 5.11 0.50 0.00 1.01 -1.26 -2.14 120.40 120.75 2kkl s VAL 130 Ca -0.03 1.21 -0.19 0.00 0.00 0.00 0.00 61.98 62.97 2kkl s VAL 130 Cb -0.00 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 2kkl s VAL 130 CO -0.05 0.29 1.02 -0.76 0.00 0.00 0.00 175.10 175.60 2kkl s LEU 131 N 0.69 3.78 0.05 3.92 1.43 -0.85 -4.97 118.68 122.73 2kkl s LEU 131 Ca 0.32 1.82 -0.14 0.00 -1.03 0.00 0.00 54.13 55.09 2kkl s LEU 131 Cb -0.16 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.53 2kkl s LEU 131 CO 0.14 -0.74 0.33 0.00 0.23 0.00 0.00 176.35 176.31 2kkl s ALA 132 N -2.18 -0.74 -0.07 4.21 0.00 -1.26 -4.65 121.76 117.06 2kkl s ALA 132 Ca 0.65 0.02 -0.37 0.00 0.00 0.00 0.00 51.96 52.26 2kkl s ALA 132 Cb -0.14 0.37 -0.14 0.00 0.00 0.00 0.00 23.12 23.21 2kkl s ALA 132 CO 0.23 -0.45 1.67 -1.71 0.00 0.00 0.00 175.76 175.49 2kkl n ASN 133 N 0.44 2.65 0.00 0.00 2.85 -1.26 -0.52 115.26 119.41 2kkl n ASN 133 Ca -0.18 1.06 0.00 0.00 -0.11 0.00 0.00 54.58 55.35 2kkl n ASN 133 Cb 0.60 -1.27 0.00 0.00 1.24 0.00 0.00 39.78 40.35 2kkl n ASN 133 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kkl n GLY 134 N 3.75 0.66 3.89 8.20 0.00 -1.17 -4.98 105.19 115.53 2kkl n GLY 134 Ca 0.22 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 2kkl n GLY 134 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kkl s ASP 135 N -2.37 6.47 -0.15 1.61 1.11 0.32 -4.95 116.67 118.71 2kkl s ASP 135 Ca 0.00 1.01 -0.01 0.00 0.18 0.00 0.00 52.55 53.73 2kkl s ASP 135 Cb 0.00 -2.27 -0.01 0.00 1.07 0.00 0.00 42.92 41.71 2kkl s ASP 135 CO 0.00 -0.38 -0.11 -1.61 1.18 0.00 0.00 175.17 174.25 2kkl s GLU 136 N -3.90 3.39 -0.07 8.23 8.01 -1.26 -0.47 118.70 132.63 2kkl s GLU 136 Ca 0.49 -0.67 0.03 0.00 0.01 0.00 0.00 54.97 54.83 2kkl s GLU 136 Cb -0.10 -2.70 0.00 0.00 -4.31 0.00 0.00 34.13 27.02 2kkl s GLU 136 CO 0.33 0.14 -0.17 0.08 0.01 0.00 0.00 175.26 175.65 2kkl s VAL 137 N 0.54 1.48 -0.07 2.63 1.01 -0.51 -4.49 120.40 121.00 2kkl s VAL 137 Ca -0.07 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.25 2kkl s VAL 137 Cb -0.15 -1.30 -0.00 0.00 0.00 0.00 0.00 36.38 34.92 2kkl s VAL 137 CO 0.04 0.43 -0.20 0.00 0.00 0.00 0.00 175.10 175.36 2kkl s GLN 138 N 0.40 2.33 -0.20 2.72 1.03 -1.26 -0.05 119.66 124.63 2kkl s GLN 138 Ca -0.13 -0.73 0.01 0.00 0.04 0.00 0.00 55.36 54.56 2kkl s GLN 138 Cb -0.15 -1.90 0.03 0.00 0.03 0.00 0.00 33.01 31.02 2kkl s GLN 138 CO 0.05 0.22 -0.16 0.42 -2.54 0.00 0.00 175.29 173.28 2kkl s ILE 139 N 0.18 1.96 0.00 3.63 1.01 -0.23 -4.41 121.20 123.34 2kkl s ILE 139 Ca -0.10 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.49 2kkl s ILE 139 Cb -0.15 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.44 2kkl s ILE 139 CO 0.05 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.95 2kkl n GLY 140 N 4.61 3.60 0.30 6.18 0.00 -1.26 -1.51 105.19 117.10 2kkl n GLY 140 Ca -0.18 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 45.88 2kkl n GLY 140 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kkl n LYS 141 N 13.87 0.88 -3.58 1.61 4.81 -1.26 -4.86 118.16 129.63 2kkl n LYS 141 Ca 0.00 -0.60 -0.37 0.00 -0.87 0.00 0.00 58.31 56.47 2kkl n LYS 141 Cb 0.00 -1.49 -0.07 0.00 0.02 0.00 0.00 35.03 33.50 2kkl n LYS 141 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2kkl s PHE 142 N -2.53 3.54 -0.11 5.64 0.40 -0.57 -5.05 117.98 119.30 2kkl s PHE 142 Ca 0.22 0.67 -0.05 0.00 -0.60 0.00 0.00 56.93 57.17 2kkl s PHE 142 Cb 0.19 -2.27 -0.04 0.00 0.51 0.00 0.00 43.02 41.41 2kkl s PHE 142 CO 0.55 0.40 0.07 1.03 0.70 0.00 0.00 175.22 177.98 2kkl s ARG 143 N -0.09 3.27 0.20 0.44 0.52 -1.26 -1.07 118.95 120.96 2kkl s ARG 143 Ca 0.18 -0.26 0.01 0.00 -0.52 0.00 0.00 55.73 55.14 2kkl s ARG 143 Cb -0.14 -3.02 -0.05 0.00 0.52 0.00 0.00 34.95 32.27 2kkl s ARG 143 CO 0.06 0.72 0.04 -0.51 0.02 0.00 0.00 175.30 175.63 2kkl s LEU 144 N -0.88 1.88 -0.05 2.53 1.02 0.92 -1.53 118.68 122.58 2kkl s LEU 144 Ca 0.14 -1.25 0.03 0.00 0.02 0.00 0.00 54.13 53.06 2kkl s LEU 144 Cb -0.12 0.03 0.00 0.00 0.02 0.00 0.00 46.19 46.12 2kkl s LEU 144 CO 0.03 -0.65 -0.13 0.54 0.02 0.00 0.00 176.35 176.16 2kkl s VAL 145 N -3.75 1.15 -0.34 -1.59 0.11 -0.65 -1.42 120.40 113.90 2kkl s VAL 145 Ca 0.29 -0.53 -0.16 0.00 -2.93 0.00 0.00 61.98 58.65 2kkl s VAL 145 Cb 0.07 -1.01 -0.01 0.00 -1.53 0.00 0.00 36.38 33.89 2kkl s VAL 145 CO 0.07 0.35 0.40 0.12 -3.33 0.00 0.00 175.10 172.71 2kkl s PHE 146 N 0.29 3.20 0.06 1.54 5.36 0.37 -2.52 117.98 126.29 2kkl s PHE 146 Ca -0.07 0.06 0.05 0.00 -0.96 0.00 0.00 56.93 56.01 2kkl s PHE 146 Cb -0.12 -2.73 -0.03 0.00 -0.34 0.00 0.00 43.02 39.80 2kkl s PHE 146 CO 0.02 -0.45 -0.15 -0.51 -1.46 0.00 0.00 175.22 172.67 2kkl s LEU 147 N 2.12 2.23 0.22 6.12 1.43 -1.09 -2.19 118.68 127.53 2kkl s LEU 147 Ca 0.14 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 2kkl s LEU 147 Cb -0.16 -0.61 -0.05 0.00 0.03 0.00 0.00 46.19 45.40 2kkl s LEU 147 CO 0.12 -0.00 0.05 0.42 0.23 0.00 0.00 176.35 177.17 2kkl s THR 148 N -1.05 0.63 0.00 5.49 -4.23 -1.26 -2.53 115.64 112.69 2kkl s THR 148 Ca 0.01 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 2kkl s THR 148 Cb -0.09 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.34 2kkl s THR 148 CO 0.02 -0.21 0.70 0.61 -0.54 0.00 0.00 174.62 175.20 2kkl n GLY 149 N -0.37 1.20 1.60 3.99 0.00 -1.26 -4.88 105.19 105.47 2kkl n GLY 149 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2kkl n GLY 149 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kkl n HIS 150 N 1.18 -4.14 -2.65 1.61 -0.00 -1.26 -4.86 115.22 105.11 2kkl n HIS 150 Ca 0.00 2.23 -0.35 0.00 0.46 0.00 0.00 57.72 60.06 2kkl n HIS 150 Cb 0.25 -3.39 -0.05 0.00 -0.12 0.00 0.00 29.99 26.68 2kkl n HIS 150 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 2kkl s LYS 151 N -4.62 4.14 0.89 1.57 1.02 -1.26 -5.03 119.74 116.44 2kkl s LYS 151 Ca 0.00 1.34 -0.12 0.00 0.02 0.00 0.00 55.97 57.21 2kkl s LYS 151 Cb 0.00 -2.36 0.12 0.00 -0.52 0.00 0.00 37.83 35.08 2kkl s LYS 151 CO 0.00 -0.13 1.09 -0.65 -0.92 0.00 0.00 175.35 174.74 2kkl s GLN 152 N -2.82 1.33 -0.26 1.68 -1.52 -1.26 -5.06 119.66 111.75 2kkl s GLN 152 Ca 0.60 0.80 -0.03 0.00 -1.95 0.00 0.00 55.36 54.79 2kkl s GLN 152 Cb -0.16 -1.82 0.15 0.00 -0.22 0.00 0.00 33.01 30.95 2kkl s GLN 152 CO 0.21 -2.18 0.45 0.20 -0.25 0.00 0.00 175.29 173.72 2kkl s GLY 153 N -3.47 -0.59 0.00 3.09 0.00 -1.26 -4.99 107.32 100.11 2kkl s GLY 153 Ca 0.63 1.28 0.00 0.00 0.00 0.00 0.00 44.72 46.63 2kkl s GLY 153 CO 0.57 2.86 0.00 -2.21 0.00 0.00 0.00 173.10 174.31 2kkl n GLU 154 N 5.39 0.00 -2.17 2.90 2.13 -1.26 -5.11 120.64 122.52 2kkl n GLU 154 Ca -0.04 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.42 2kkl n GLU 154 Cb 0.50 -0.23 0.01 0.00 0.27 0.00 0.00 31.44 31.99 2kkl n GLU 154 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 2kkl s ASP 155 N -1.46 5.79 0.36 4.31 -4.77 -1.26 -4.97 116.67 114.67 2kkl s ASP 155 Ca 0.00 2.32 -0.27 0.00 -3.30 0.00 0.00 52.55 51.30 2kkl s ASP 155 Cb 0.00 -2.60 -0.09 0.00 -1.09 0.00 0.00 42.92 39.14 2kkl s ASP 155 CO 0.00 -1.18 1.22 -0.76 0.70 0.00 0.00 175.17 175.15 2kkl s LEU 156 N -3.48 4.33 0.34 2.11 1.43 -1.26 -4.99 118.68 117.16 2kkl s LEU 156 Ca 0.69 2.49 -0.26 0.00 -1.03 0.00 0.00 54.13 56.02 2kkl s LEU 156 Cb -0.29 -3.82 -0.09 0.00 0.03 0.00 0.00 46.19 42.02 2kkl s LEU 156 CO 0.33 -0.57 1.02 -0.70 0.23 0.00 0.00 176.35 176.66 2kkl s GLU 157 N -1.99 4.45 0.31 1.70 2.56 -1.26 -5.01 118.70 119.46 2kkl s GLU 157 Ca 0.52 1.52 -0.28 0.00 0.00 0.00 0.00 54.97 56.74 2kkl s GLU 157 Cb -0.35 -2.83 -0.09 0.00 2.00 0.00 0.00 34.13 32.86 2kkl s GLU 157 CO 0.45 0.12 1.09 -1.58 -0.56 0.00 0.00 175.26 174.77 2kkl s HIS 158 N -1.49 3.51 0.00 5.30 5.65 -1.26 -5.01 115.29 121.99 2kkl s HIS 158 Ca 0.51 1.69 0.00 0.00 0.25 0.00 0.00 55.06 57.51 2kkl s HIS 158 Cb -0.24 -3.25 0.00 0.00 -1.18 0.00 0.00 32.58 27.91 2kkl s HIS 158 CO 0.30 -0.56 0.00 -2.39 -0.65 0.00 0.00 174.74 171.44 2kkl n HIS 159 N 0.91 0.00 -3.02 3.88 1.44 -1.26 -5.05 115.22 112.12 2kkl n HIS 159 Ca 0.00 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.57 2kkl n HIS 159 Cb 0.46 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.58 2kkl n HIS 159 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kkl n HIS 160 N 0.00 -3.28 -3.66 -1.40 -0.00 -1.26 -5.04 115.22 100.58 2kkl n HIS 160 Ca 0.00 1.33 -0.15 0.00 -0.00 0.00 0.00 57.72 58.90 2kkl n HIS 160 Cb 0.00 -3.57 -0.08 0.00 -0.00 0.00 0.00 29.99 26.34 2kkl n HIS 160 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kkl s HIS 161 N -2.39 -0.47 -0.09 1.57 -0.00 -1.26 -5.15 115.29 107.50 2kkl s HIS 161 Ca 0.26 0.94 -0.04 0.00 -0.00 0.00 0.00 55.06 56.22 2kkl s HIS 161 Cb -0.06 0.23 0.05 0.00 -0.00 0.00 0.00 32.58 32.80 2kkl s HIS 161 CO 0.79 -0.42 0.19 -1.58 -0.00 0.00 0.00 174.74 173.72 2kkl s HIS 162 N -0.73 -0.25 0.00 0.38 2.46 -1.26 -5.33 115.29 110.57 2kkl s HIS 162 Ca -0.08 0.67 0.00 0.00 0.47 0.00 0.00 55.06 56.12 2kkl s HIS 162 Cb -0.03 -0.12 0.00 0.00 -0.13 0.00 0.00 32.58 32.30 2kkl s HIS 162 CO 0.05 -0.25 0.00 1.58 -2.47 0.00 0.00 174.74 173.65