#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkl s PHE 25 N 0.00 3.47 -0.21 3.52 -0.12 -1.26 -5.08 117.98 118.30 2kkl s PHE 25 Ca 0.00 0.96 -0.05 0.00 -0.05 0.00 0.00 56.93 57.79 2kkl s PHE 25 Cb 0.00 -2.66 0.10 0.00 -0.63 0.00 0.00 43.02 39.83 2kkl s PHE 25 CO 0.00 -0.68 0.37 0.50 -0.05 0.00 0.00 175.22 175.36 2kkl s ARG 26 N -5.04 0.30 0.54 1.99 3.52 -1.26 -5.11 118.95 113.89 2kkl s ARG 26 Ca 0.53 0.77 0.00 0.00 -0.13 0.00 0.00 55.73 56.90 2kkl s ARG 26 Cb -0.11 -0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.20 2kkl s ARG 26 CO 0.49 -0.42 0.00 0.00 -0.81 0.00 0.00 175.30 174.56 2kkl n ALA 27 N 5.37 -2.59 1.51 6.12 0.00 -1.26 -4.49 120.51 125.18 2kkl n ALA 27 Ca -0.06 0.61 0.15 0.00 0.00 0.00 0.00 53.44 54.14 2kkl n ALA 27 Cb 0.50 -1.42 0.74 0.00 0.00 0.00 0.00 19.45 19.27 2kkl n ALA 27 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kkl n ASP 28 N -3.29 0.15 -0.00 0.00 2.03 -1.26 -4.91 116.55 109.27 2kkl n ASP 28 Ca -0.04 -0.40 0.00 0.00 0.52 0.00 0.00 54.79 54.87 2kkl n ASP 28 Cb 0.51 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 2kkl n ASP 28 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 2kkl n PHE 29 N -1.14 -0.00 -1.60 -0.67 -1.74 -1.26 -5.07 117.46 105.98 2kkl n PHE 29 Ca 0.16 0.00 -0.31 0.00 -0.56 0.00 0.00 57.45 56.73 2kkl n PHE 29 Cb 0.23 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.20 2kkl n PHE 29 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2kkl s LEU 30 N 0.00 3.28 0.00 5.98 1.43 -1.26 -4.89 118.68 123.22 2kkl s LEU 30 Ca 0.00 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 2kkl s LEU 30 Cb 0.00 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.71 2kkl s LEU 30 CO 0.00 -3.06 0.00 -1.20 0.23 0.00 0.00 176.35 172.32 2kkl n SER 31 N 16.29 0.00 0.00 2.29 7.64 -1.26 -4.97 113.62 133.60 2kkl n SER 31 Ca 0.38 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.26 2kkl n SER 31 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2kkl n SER 31 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2kkl n GLU 32 N 0.00 0.00 -2.13 1.43 4.07 -1.26 -5.13 120.64 117.61 2kkl n GLU 32 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2kkl n GLU 32 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2kkl n GLU 32 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2kkl n LEU 33 N -2.01 -5.49 0.01 4.31 7.94 -1.26 -4.85 117.00 115.66 2kkl n LEU 33 Ca 0.00 2.94 -0.12 0.00 -1.11 0.00 0.00 56.01 57.72 2kkl n LEU 33 Cb 0.00 -3.01 -0.08 0.00 0.53 0.00 0.00 43.42 40.86 2kkl n LEU 33 CO 0.00 -2.00 0.80 -0.78 -1.11 0.00 0.00 177.39 174.29 2kkl h ASP 34 N 4.30 0.03 0.00 1.96 3.58 -2.06 -3.48 116.42 120.75 2kkl h ASP 34 Ca 0.00 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.28 2kkl h ASP 34 Cb 0.00 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.04 2kkl h ASP 34 CO 0.00 0.19 0.00 0.00 -2.88 0.00 0.00 179.24 176.55 2kkl n ALA 35 N -2.18 0.00 -1.76 -0.78 0.00 -1.26 -5.15 120.51 109.38 2kkl n ALA 35 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.99 2kkl n ALA 35 Cb 0.11 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.58 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 -2.00 3.33 0.40 0.00 0.04 -1.26 -4.97 135.00 130.54 2kkl s PRO 36 Ca 0.00 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 62.82 2kkl s PRO 36 Cb 0.00 -2.27 -0.08 0.00 0.04 0.00 0.00 34.50 32.18 2kkl s PRO 36 CO 0.00 -0.98 1.24 0.00 0.04 0.00 0.00 177.00 177.30 2kkl s ALA 37 N -1.41 3.20 0.00 8.56 0.00 -1.26 -4.76 121.76 126.10 2kkl s ALA 37 Ca 0.70 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.77 2kkl s ALA 37 Cb -0.35 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.32 2kkl s ALA 37 CO 0.42 -0.70 0.00 0.00 0.00 0.00 0.00 175.76 175.48 2kkl n GLN 38 N 0.09 0.00 0.00 0.00 -0.00 -1.26 -5.10 117.38 111.11 2kkl n GLN 38 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.04 2kkl n GLN 38 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.69 2kkl n GLN 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2kkl n ALA 39 N -0.10 0.00 -0.74 2.61 0.00 -1.26 -4.73 120.51 116.28 2kkl n ALA 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kkl n ALA 39 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.81 3.49 0.00 0.00 -1.26 -5.02 105.19 103.22 2kkl n GLY 40 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2kkl n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kkl s THR 41 N -3.10 4.67 -0.31 2.61 2.01 -1.26 -4.92 115.64 115.33 2kkl s THR 41 Ca 0.00 -0.08 0.14 0.00 0.31 0.00 0.00 61.69 62.06 2kkl s THR 41 Cb 0.00 -3.22 -0.20 0.00 0.01 0.00 0.00 72.50 69.10 2kkl s THR 41 CO 0.00 0.28 0.45 -1.84 -0.69 0.00 0.00 174.62 172.82 2kkl n GLU 42 N 4.97 1.27 -2.05 4.92 0.28 -1.26 -4.98 120.64 123.80 2kkl n GLU 42 Ca -0.15 -0.07 -0.41 0.00 -0.16 0.00 0.00 57.16 56.36 2kkl n GLU 42 Cb 0.51 -1.27 -0.02 0.00 1.43 0.00 0.00 31.44 32.10 2kkl n GLU 42 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2kkl s SER 43 N -3.09 6.68 0.00 -1.84 0.15 -1.26 -4.83 113.70 109.51 2kkl s SER 43 Ca -0.01 2.73 0.00 0.00 0.70 0.00 0.00 55.95 59.37 2kkl s SER 43 Cb 0.10 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2kkl s SER 43 CO 0.60 -0.63 0.26 0.00 1.20 0.00 0.00 173.24 174.68 2kkl n ALA 44 N 1.17 0.58 -0.00 5.45 0.00 -1.26 -4.96 120.51 121.49 2kkl n ALA 44 Ca 0.02 -0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.42 2kkl n ALA 44 Cb 0.41 -0.13 -0.11 0.00 0.00 0.00 0.00 19.45 19.62 2kkl n ALA 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kkl n VAL 45 N 0.00 0.00 -3.64 0.00 0.31 -1.26 -4.99 118.33 108.74 2kkl n VAL 45 Ca -0.05 -0.32 -0.04 0.00 -0.01 0.00 0.00 64.34 63.92 2kkl n VAL 45 Cb 0.29 0.18 -0.07 0.00 -0.91 0.00 0.00 33.84 33.33 2kkl n VAL 45 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2kkl s SER 46 N -3.61 -0.64 0.00 4.52 0.15 -1.26 -5.14 113.70 107.71 2kkl s SER 46 Ca -0.05 1.03 0.00 0.00 0.70 0.00 0.00 55.95 57.63 2kkl s SER 46 Cb 0.09 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 65.66 2kkl s SER 46 CO 0.58 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.47 2kkl n GLY 47 N 3.88 2.88 0.00 9.45 0.00 -1.26 -4.96 105.19 115.18 2kkl n GLY 47 Ca -0.19 -0.36 0.04 0.00 0.00 0.00 0.00 46.02 45.51 2kkl n GLY 47 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2kkl n VAL 48 N 0.00 0.00 -0.33 1.61 0.31 -1.26 -3.16 118.33 115.50 2kkl n VAL 48 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 2kkl n VAL 48 Cb 0.00 -0.64 0.18 0.00 -0.91 0.00 0.00 33.84 32.47 2kkl n VAL 48 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2kkl h GLU 49 N 0.00 1.16 0.00 5.55 5.08 -2.01 -3.43 114.58 120.93 2kkl h GLU 49 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2kkl h GLU 49 Cb 0.00 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 28.99 2kkl h GLU 49 CO 0.00 0.77 0.00 0.41 -1.00 0.00 0.00 179.01 179.19 2kkl n GLY 50 N -1.39 -0.99 3.90 -3.84 0.00 -1.19 -5.02 105.19 96.67 2kkl n GLY 50 Ca 0.12 0.86 -0.31 0.00 0.00 0.00 0.00 46.02 46.70 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 0.00 4.27 0.92 0.99 2.34 -1.26 -4.92 118.68 121.03 2kkl s LEU 51 Ca 0.00 0.52 -0.12 0.00 0.06 0.00 0.00 54.13 54.60 2kkl s LEU 51 Cb 0.00 -3.25 0.14 0.00 -0.56 0.00 0.00 46.19 42.52 2kkl s LEU 51 CO 0.00 0.05 1.09 -2.16 -1.06 0.00 0.00 176.35 174.28 2kkl s PRO 52 N -2.72 1.06 0.32 1.48 0.04 -1.26 -4.06 135.00 129.87 2kkl s PRO 52 Ca 0.40 0.75 -0.28 0.00 0.04 0.00 0.00 61.00 61.91 2kkl s PRO 52 Cb -0.12 -1.79 -0.13 0.00 0.04 0.00 0.00 34.50 32.50 2kkl s PRO 52 CO 0.26 -2.36 1.16 -2.30 0.04 0.00 0.00 177.00 173.80 2kkl n PRO 53 N -3.95 1.78 0.00 0.56 -0.02 -1.26 -4.31 135.00 127.80 2kkl n PRO 53 Ca 0.07 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2kkl n PRO 53 Cb 0.56 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 2kkl n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kkl n GLY 54 N 0.97 0.97 3.91 -1.23 0.00 -1.26 -5.11 105.19 103.44 2kkl n GLY 54 Ca 0.07 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 4.25 0.24 0.99 1.02 -1.26 -4.94 118.68 118.98 2kkl s LEU 55 Ca 0.00 0.51 0.07 0.00 0.02 0.00 0.00 54.13 54.72 2kkl s LEU 55 Cb 0.00 -3.25 -0.05 0.00 0.02 0.00 0.00 46.19 42.91 2kkl s LEU 55 CO 0.00 0.02 -0.09 0.00 0.02 0.00 0.00 176.35 176.30 2kkl s ALA 56 N -1.74 2.10 0.13 4.21 0.00 -1.26 -4.70 121.76 120.49 2kkl s ALA 56 Ca 0.40 -1.76 0.07 0.00 0.00 0.00 0.00 51.96 50.67 2kkl s ALA 56 Cb -0.12 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 2kkl s ALA 56 CO 0.27 -0.04 -0.17 -0.51 0.00 0.00 0.00 175.76 175.31 2kkl s LEU 57 N -3.36 2.39 -0.03 0.00 1.02 -1.03 -1.60 118.68 116.07 2kkl s LEU 57 Ca 0.26 -0.80 0.04 0.00 0.02 0.00 0.00 54.13 53.65 2kkl s LEU 57 Cb 0.02 -0.70 -0.03 0.00 0.02 0.00 0.00 46.19 45.50 2kkl s LEU 57 CO 0.09 -0.07 -0.14 -0.76 0.02 0.00 0.00 176.35 175.48 2kkl s LEU 58 N -2.40 2.74 -0.06 1.79 1.43 0.80 -2.64 118.68 120.35 2kkl s LEU 58 Ca 0.10 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 2kkl s LEU 58 Cb -0.06 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.59 2kkl s LEU 58 CO 0.04 0.33 -0.15 -0.69 0.23 0.00 0.00 176.35 176.10 2kkl s VAL 59 N -0.78 1.34 0.14 -1.59 1.01 -1.07 -1.68 120.40 117.77 2kkl s VAL 59 Ca 0.12 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 2kkl s VAL 59 Cb -0.11 -1.18 -0.07 0.00 0.00 0.00 0.00 36.38 35.02 2kkl s VAL 59 CO 0.02 0.40 1.25 -0.69 0.00 0.00 0.00 175.10 176.07 2kkl s VAL 60 N 0.32 3.61 0.00 2.92 1.01 -1.08 -1.77 120.40 125.41 2kkl s VAL 60 Ca -0.10 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.13 2kkl s VAL 60 Cb -0.14 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.45 2kkl s VAL 60 CO 0.03 0.15 0.00 1.17 0.00 0.00 0.00 175.10 176.45 2kkl n LYS 61 N 3.21 0.00 -4.30 2.72 3.00 0.54 -4.25 118.16 119.08 2kkl n LYS 61 Ca 0.07 0.13 -0.18 0.00 -0.00 0.00 0.00 58.31 58.33 2kkl n LYS 61 Cb 0.44 -0.59 -0.15 0.00 0.00 0.00 0.00 35.03 34.73 2kkl n LYS 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2kkl s ARG 62 N -0.28 0.66 0.00 1.64 6.06 -1.26 -4.82 118.95 120.95 2kkl s ARG 62 Ca 0.00 -0.27 0.00 0.00 -2.50 0.00 0.00 55.73 52.96 2kkl s ARG 62 Cb 0.00 -0.64 0.00 0.00 0.06 0.00 0.00 34.95 34.37 2kkl s ARG 62 CO 0.00 0.15 0.00 0.41 -2.50 0.00 0.00 175.30 173.36 2kkl n GLY 63 N 2.98 -2.49 0.37 8.12 0.00 -1.26 -3.89 105.19 109.02 2kkl n GLY 63 Ca -0.14 -1.28 0.09 0.00 0.00 0.00 0.00 46.02 44.69 2kkl n GLY 63 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kkl h PRO 64 N 0.00 0.83 0.00 1.61 0.11 -2.00 -3.30 132.00 129.26 2kkl h PRO 64 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2kkl h PRO 64 Cb 0.00 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 30.92 2kkl h PRO 64 CO 0.00 0.55 0.00 0.09 -0.21 0.00 0.00 178.00 178.43 2kkl n ASN 65 N -4.59 0.00 -2.08 -2.05 3.02 -1.26 -5.05 115.26 103.25 2kkl n ASN 65 Ca 0.18 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 2kkl n ASN 65 Cb 0.40 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 2kkl n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kkl n ALA 66 N -0.68 -1.98 0.00 5.41 0.00 -1.24 -4.67 120.51 117.35 2kkl n ALA 66 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2kkl n ALA 66 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 1.64 3.34 3.77 0.00 0.00 -1.26 -5.05 105.19 107.62 2kkl n GLY 67 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2kkl n GLY 67 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kkl s SER 68 N -1.05 6.18 0.02 1.61 0.15 -1.26 -4.89 113.70 114.46 2kkl s SER 68 Ca 0.00 2.47 0.03 0.00 0.70 0.00 0.00 55.95 59.15 2kkl s SER 68 Cb 0.00 -2.62 -0.02 0.00 -1.71 0.00 0.00 66.02 61.67 2kkl s SER 68 CO 0.00 -0.92 -0.08 -0.13 1.20 0.00 0.00 173.24 173.30 2kkl s ARG 69 N -2.50 0.59 -0.01 5.44 0.52 -1.26 -2.64 118.95 119.09 2kkl s ARG 69 Ca 0.61 -0.54 0.03 0.00 -0.52 0.00 0.00 55.73 55.31 2kkl s ARG 69 Cb -0.33 -0.50 -0.01 0.00 0.52 0.00 0.00 34.95 34.63 2kkl s ARG 69 CO 0.41 0.12 -0.10 -0.06 0.02 0.00 0.00 175.30 175.69 2kkl s PHE 70 N -0.77 0.91 0.00 -0.53 0.08 -0.68 -4.95 117.98 112.05 2kkl s PHE 70 Ca -0.03 -0.18 0.01 0.00 0.12 0.00 0.00 56.93 56.85 2kkl s PHE 70 Cb -0.06 -0.60 -0.04 0.00 -0.57 0.00 0.00 43.02 41.75 2kkl s PHE 70 CO 0.00 -0.03 0.04 -0.48 -0.10 0.00 0.00 175.22 174.65 2kkl s LEU 71 N -0.17 3.68 -0.25 -0.37 0.05 -1.26 -0.14 118.68 120.22 2kkl s LEU 71 Ca 0.03 0.05 -0.11 0.00 0.05 0.00 0.00 54.13 54.14 2kkl s LEU 71 Cb -0.05 -2.14 -0.05 0.00 -2.05 0.00 0.00 46.19 41.90 2kkl s LEU 71 CO -0.00 0.27 0.19 -0.76 -0.55 0.00 0.00 176.35 175.50 2kkl s LEU 72 N -1.69 4.10 -0.44 1.48 1.43 -0.63 -4.83 118.68 118.10 2kkl s LEU 72 Ca 0.21 0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.44 2kkl s LEU 72 Cb -0.12 -2.16 0.35 0.00 0.03 0.00 0.00 46.19 44.29 2kkl s LEU 72 CO 0.12 0.02 1.95 -0.90 0.23 0.00 0.00 176.35 177.77 2kkl n ASP 73 N 4.49 6.28 -0.64 2.29 5.75 -1.26 -4.32 116.55 129.14 2kkl n ASP 73 Ca -0.14 -3.32 0.00 0.00 -0.01 0.00 0.00 54.79 51.32 2kkl n ASP 73 Cb 0.52 -0.97 0.00 0.00 -1.03 0.00 0.00 41.12 39.64 2kkl n ASP 73 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kkl n GLN 74 N -0.28 0.00 0.00 0.11 6.02 -1.26 -4.90 117.38 117.07 2kkl n GLN 74 Ca 0.43 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 2kkl n GLN 74 Cb 0.76 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.02 2kkl n GLN 74 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kkl n ALA 75 N 0.34 0.00 -3.19 -1.58 0.00 -1.26 -4.60 120.51 110.22 2kkl n ALA 75 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 2kkl n ALA 75 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 2kkl n ALA 75 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2kkl s ILE 76 N 0.00 3.13 -0.14 0.00 1.01 -1.26 -1.95 121.20 121.99 2kkl s ILE 76 Ca 0.00 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.05 2kkl s ILE 76 Cb 0.00 -2.34 0.01 0.00 0.01 0.00 0.00 42.46 40.14 2kkl s ILE 76 CO 0.00 0.51 -0.21 -0.89 0.00 0.00 0.00 174.94 174.35 2kkl s THR 77 N 0.58 1.97 0.38 2.92 2.01 -0.57 -4.97 115.64 117.96 2kkl s THR 77 Ca -0.07 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.02 2kkl s THR 77 Cb -0.15 -1.75 -0.02 0.00 0.01 0.00 0.00 72.50 70.59 2kkl s THR 77 CO 0.03 0.53 0.58 -0.44 -0.69 0.00 0.00 174.62 174.63 2kkl s SER 78 N 0.85 6.14 0.13 3.53 0.01 -1.26 -0.59 113.70 122.52 2kkl s SER 78 Ca -0.07 0.36 0.08 0.00 1.31 0.00 0.00 55.95 57.63 2kkl s SER 78 Cb -0.15 -1.83 -0.04 0.00 0.21 0.00 0.00 66.02 64.20 2kkl s SER 78 CO -0.02 -0.42 -0.10 0.00 0.41 0.00 0.00 173.24 173.11 2kkl s ALA 79 N -2.38 2.94 0.00 1.44 0.00 -0.81 -4.40 121.76 118.55 2kkl s ALA 79 Ca 0.43 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2kkl s ALA 79 Cb -0.10 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.20 2kkl s ALA 79 CO 0.36 0.57 0.00 0.41 0.00 0.00 0.00 175.76 177.10 2kkl n GLY 80 N 0.44 2.47 3.79 0.00 0.00 -1.25 -3.52 105.19 107.13 2kkl n GLY 80 Ca -0.13 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 2kkl n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kkl s ARG 81 N 0.00 4.34 -0.15 1.61 0.52 -1.02 -4.50 118.95 119.75 2kkl s ARG 81 Ca 0.00 1.40 -0.21 0.00 -0.52 0.00 0.00 55.73 56.40 2kkl s ARG 81 Cb 0.00 -2.60 -0.24 0.00 0.52 0.00 0.00 34.95 32.63 2kkl s ARG 81 CO 0.00 0.04 0.48 1.25 0.02 0.00 0.00 175.30 177.09 2kkl h HIS 82 N 2.69 0.19 -2.28 -0.53 -0.00 -1.86 -3.42 115.15 109.94 2kkl h HIS 82 Ca -0.48 -0.14 -0.61 0.00 -0.00 0.00 0.00 60.37 59.14 2kkl h HIS 82 Cb 1.20 -0.01 0.08 0.00 -0.00 0.00 0.00 27.41 28.68 2kkl h HIS 82 CO 0.60 1.41 0.50 -2.30 -0.00 0.00 0.00 177.93 178.13 2kkl n PRO 83 N -4.26 1.66 -4.24 5.26 -0.02 -1.26 -2.14 135.00 130.00 2kkl n PRO 83 Ca -0.24 0.59 -0.30 0.00 -2.02 0.00 0.00 63.50 61.53 2kkl n PRO 83 Cb 0.73 -2.20 -0.08 0.00 -0.02 0.00 0.00 33.50 31.92 2kkl n PRO 83 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2kkl n ASP 84 N 2.27 0.66 -3.40 2.55 2.03 -1.26 -4.91 116.55 114.48 2kkl n ASP 84 Ca 0.14 -1.22 -0.02 0.00 0.52 0.00 0.00 54.79 54.21 2kkl n ASP 84 Cb 0.28 -1.91 -0.05 0.00 -0.72 0.00 0.00 41.12 38.72 2kkl n ASP 84 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2kkl s SER 85 N -4.37 -0.82 0.25 1.67 0.15 -0.91 -4.47 113.70 105.20 2kkl s SER 85 Ca 0.01 0.95 -0.03 0.00 0.70 0.00 0.00 55.95 57.58 2kkl s SER 85 Cb -0.01 1.87 0.31 0.00 -1.71 0.00 0.00 66.02 66.48 2kkl s SER 85 CO 0.98 -0.25 1.77 0.44 1.20 0.00 0.00 173.24 177.37 2kkl h ASP 86 N 8.06 0.84 -3.27 5.45 3.32 -1.83 -3.43 116.42 125.57 2kkl h ASP 86 Ca -0.20 -0.18 -0.53 0.00 0.02 0.00 0.00 57.03 56.14 2kkl h ASP 86 Cb 1.13 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 40.47 2kkl h ASP 86 CO 0.20 0.85 0.58 -0.63 -1.72 0.00 0.00 179.24 178.52 2kkl s ILE 87 N -5.12 3.81 -0.48 0.35 -1.09 -1.26 -4.89 121.20 112.51 2kkl s ILE 87 Ca -0.10 1.36 0.03 0.00 -2.23 0.00 0.00 60.65 59.71 2kkl s ILE 87 Cb 0.15 -3.87 0.15 0.00 -1.58 0.00 0.00 42.46 37.30 2kkl s ILE 87 CO 0.82 0.14 0.30 0.12 -1.23 0.00 0.00 174.94 175.09 2kkl s PHE 88 N 0.69 2.10 -0.44 3.97 5.36 -1.26 -4.38 117.98 124.03 2kkl s PHE 88 Ca 0.57 -2.56 0.03 0.00 -0.96 0.00 0.00 56.93 54.01 2kkl s PHE 88 Cb -0.31 -1.86 0.12 0.00 -0.34 0.00 0.00 43.02 40.62 2kkl s PHE 88 CO 0.32 -0.75 0.19 -0.51 -1.46 0.00 0.00 175.22 173.00 2kkl s LEU 89 N -0.01 3.90 -0.52 6.12 1.43 -1.26 -5.01 118.68 123.32 2kkl s LEU 89 Ca 0.21 -2.58 -0.19 0.00 -1.03 0.00 0.00 54.13 50.54 2kkl s LEU 89 Cb -0.16 -1.44 0.07 0.00 0.03 0.00 0.00 46.19 44.69 2kkl s LEU 89 CO -0.06 -0.29 0.63 -1.81 0.23 0.00 0.00 176.35 175.05 2kkl s ASP 90 N 0.33 6.21 0.26 2.29 1.01 -1.26 -4.38 116.67 121.13 2kkl s ASP 90 Ca 0.15 -1.06 -0.21 0.00 0.71 0.00 0.00 52.55 52.14 2kkl s ASP 90 Cb -0.23 -2.29 0.03 0.00 1.01 0.00 0.00 42.92 41.44 2kkl s ASP 90 CO -0.04 -0.93 0.69 -1.81 0.21 0.00 0.00 175.17 173.29 2kkl s ASP 91 N 2.91 -0.29 0.25 0.27 1.01 -1.26 -5.03 116.67 114.53 2kkl s ASP 91 Ca 0.14 -0.54 -0.01 0.00 0.71 0.00 0.00 52.55 52.85 2kkl s ASP 91 Cb -0.21 0.70 0.31 0.00 1.01 0.00 0.00 42.92 44.74 2kkl s ASP 91 CO 0.10 -1.28 1.69 -0.37 0.21 0.00 0.00 175.17 175.51 2kkl h VAL 92 N 2.02 1.27 0.00 -1.27 -1.51 -2.00 -2.62 116.25 112.14 2kkl h VAL 92 Ca -0.21 -1.28 -0.04 0.00 -1.23 0.00 0.00 66.70 63.94 2kkl h VAL 92 Cb 1.26 1.26 -0.01 0.00 -2.13 0.00 0.00 31.29 31.67 2kkl h VAL 92 CO 0.26 0.42 -0.20 0.71 -1.23 0.00 0.00 177.57 177.53 2kkl h THR 93 N 0.55 0.82 -3.32 7.19 1.35 -1.96 -3.41 112.91 114.13 2kkl h THR 93 Ca 0.08 -0.76 -0.64 0.00 -0.55 0.00 0.00 66.41 64.53 2kkl h THR 93 Cb 0.68 1.45 -0.23 0.00 -1.73 0.00 0.00 68.15 68.32 2kkl h THR 93 CO 0.05 0.19 -0.69 -0.69 -0.25 0.00 0.00 175.52 174.13 2kkl s VAL 94 N -4.22 3.66 0.00 6.82 1.01 -0.99 -4.67 120.40 122.01 2kkl s VAL 94 Ca -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.52 2kkl s VAL 94 Cb 0.14 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.92 2kkl s VAL 94 CO 0.64 0.49 0.00 -1.20 0.00 0.00 0.00 175.10 175.03 2kkl n SER 95 N 3.67 0.00 -0.18 3.32 7.64 -1.26 -4.22 113.62 122.59 2kkl n SER 95 Ca -0.18 -0.41 -0.08 0.00 1.01 0.00 0.00 58.87 59.22 2kkl n SER 95 Cb 0.52 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.74 2kkl n SER 95 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2kkl h ARG 96 N 0.00 0.77 0.00 1.43 2.47 -1.92 -3.39 114.38 113.74 2kkl h ARG 96 Ca 0.00 -0.13 -0.06 0.00 -1.26 0.00 0.00 59.98 58.53 2kkl h ARG 96 Cb 0.00 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.18 2kkl h ARG 96 CO 0.00 0.67 -0.87 0.54 0.56 0.00 0.00 179.97 180.87 2kkl n ARG 97 N -4.55 0.32 0.00 0.04 1.74 -1.23 -2.42 116.66 110.55 2kkl n ARG 97 Ca 0.02 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2kkl n ARG 97 Cb 0.14 -1.05 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 2kkl n ARG 97 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2kkl n HIS 98 N -3.99 0.00 -4.19 -1.55 -0.00 -1.26 -3.82 115.22 100.41 2kkl n HIS 98 Ca -0.13 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 57.89 2kkl n HIS 98 Cb 0.39 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 30.16 2kkl n HIS 98 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2kkl s ALA 99 N -0.31 1.21 0.01 1.57 0.00 -1.26 -1.88 121.76 121.11 2kkl s ALA 99 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.75 2kkl s ALA 99 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 2kkl s ALA 99 CO 0.00 -0.00 -0.03 -2.00 0.00 0.00 0.00 175.76 173.73 2kkl s GLU 100 N -2.78 0.24 -0.06 0.00 2.12 -0.95 -1.92 118.70 115.35 2kkl s GLU 100 Ca 0.06 -0.41 0.02 0.00 0.36 0.00 0.00 54.97 55.01 2kkl s GLU 100 Cb -0.03 0.01 -0.03 0.00 0.26 0.00 0.00 34.13 34.34 2kkl s GLU 100 CO 0.01 -0.01 -0.12 -0.06 -0.54 0.00 0.00 175.26 174.53 2kkl s PHE 101 N -0.91 2.78 -0.02 5.30 0.08 0.25 -1.15 117.98 124.30 2kkl s PHE 101 Ca -0.09 -0.14 0.04 0.00 0.12 0.00 0.00 56.93 56.86 2kkl s PHE 101 Cb -0.06 -1.67 -0.01 0.00 -0.57 0.00 0.00 43.02 40.71 2kkl s PHE 101 CO -0.00 0.20 -0.14 1.03 -0.10 0.00 0.00 175.22 176.20 2kkl s ARG 102 N -0.67 1.21 -0.25 0.44 0.52 -0.66 -1.52 118.95 118.03 2kkl s ARG 102 Ca 0.10 -0.51 -0.15 0.00 -0.52 0.00 0.00 55.73 54.65 2kkl s ARG 102 Cb -0.11 -1.16 -0.04 0.00 0.52 0.00 0.00 34.95 34.17 2kkl s ARG 102 CO 0.01 0.29 0.39 -1.17 0.02 0.00 0.00 175.30 174.84 2kkl s LEU 103 N -0.27 4.07 0.00 2.53 2.96 -0.82 -1.43 118.68 125.72 2kkl s LEU 103 Ca 0.04 0.37 0.00 0.00 -0.22 0.00 0.00 54.13 54.33 2kkl s LEU 103 Cb -0.06 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 44.16 2kkl s LEU 103 CO -0.00 -0.16 0.00 1.21 -1.32 0.00 0.00 176.35 176.08 2kkl n GLU 104 N 5.10 0.00 -2.74 1.98 4.07 -0.63 -4.89 120.64 123.54 2kkl n GLU 104 Ca -0.08 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.59 2kkl n GLU 104 Cb 0.51 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.86 2kkl n GLU 104 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 2kkl s ASN 105 N -1.00 6.63 -1.23 4.31 3.84 -1.26 -4.27 114.94 121.97 2kkl s ASN 105 Ca 0.00 -1.91 0.00 0.00 0.21 0.00 0.00 52.86 51.16 2kkl s ASN 105 Cb 0.00 -2.49 0.00 0.00 -0.55 0.00 0.00 41.25 38.21 2kkl s ASN 105 CO 0.00 -1.23 0.00 -3.20 -2.79 0.00 0.00 177.10 169.88 2kkl n ASN 106 N 7.64 -3.96 -3.77 -4.21 2.85 -1.26 -4.92 115.26 107.63 2kkl n ASN 106 Ca 0.31 0.22 -0.14 0.00 -0.11 0.00 0.00 54.58 54.86 2kkl n ASN 106 Cb 0.49 -3.45 -0.15 0.00 1.24 0.00 0.00 39.78 37.92 2kkl n ASN 106 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2kkl s GLU 107 N -4.46 0.05 0.42 1.20 2.02 -1.26 -5.05 118.70 111.62 2kkl s GLU 107 Ca 0.00 0.28 -0.23 0.00 0.02 0.00 0.00 54.97 55.05 2kkl s GLU 107 Cb 0.00 -0.18 -0.09 0.00 0.10 0.00 0.00 34.13 33.96 2kkl s GLU 107 CO 0.00 -0.15 1.01 -0.06 0.02 0.00 0.00 175.26 176.08 2kkl s PHE 108 N 1.02 3.25 0.05 1.61 0.08 -1.26 -1.60 117.98 121.13 2kkl s PHE 108 Ca -0.08 1.64 -0.01 0.00 0.12 0.00 0.00 56.93 58.60 2kkl s PHE 108 Cb -0.11 -3.03 -0.04 0.00 -0.57 0.00 0.00 43.02 39.27 2kkl s PHE 108 CO -0.04 -0.47 -0.03 -0.80 -0.10 0.00 0.00 175.22 173.77 2kkl s ASN 109 N -1.81 0.54 -0.06 1.36 0.01 -0.51 -1.96 114.94 112.50 2kkl s ASN 109 Ca 0.60 -0.99 0.03 0.00 -0.71 0.00 0.00 52.86 51.80 2kkl s ASN 109 Cb -0.17 0.19 0.00 0.00 0.41 0.00 0.00 41.25 41.68 2kkl s ASN 109 CO 0.22 -0.58 -0.16 0.54 -1.51 0.00 0.00 177.10 175.61 2kkl s VAL 110 N -3.84 1.38 -0.04 1.60 0.11 -0.93 -1.65 120.40 117.02 2kkl s VAL 110 Ca 0.07 -0.66 0.04 0.00 -2.93 0.00 0.00 61.98 58.51 2kkl s VAL 110 Cb 0.07 -1.21 -0.00 0.00 -1.53 0.00 0.00 36.38 33.71 2kkl s VAL 110 CO -0.09 0.40 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.22 2kkl s VAL 111 N 0.31 1.44 -0.35 2.04 1.01 -0.30 -2.72 120.40 121.83 2kkl s VAL 111 Ca -0.10 -0.73 -0.25 0.00 0.00 0.00 0.00 61.98 60.91 2kkl s VAL 111 Cb -0.14 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.02 2kkl s VAL 111 CO 0.04 0.41 0.86 -1.81 0.00 0.00 0.00 175.10 174.60 2kkl s ASP 112 N -0.02 6.66 0.00 3.32 1.01 -1.03 -2.24 116.67 124.37 2kkl s ASP 112 Ca -0.03 0.58 0.14 0.00 0.71 0.00 0.00 52.55 53.96 2kkl s ASP 112 Cb -0.11 -2.44 0.06 0.00 1.01 0.00 0.00 42.92 41.45 2kkl s ASP 112 CO 0.02 -0.76 0.88 1.33 0.21 0.00 0.00 175.17 176.85 2kkl n VAL 113 N 5.80 0.00 -3.17 -1.27 0.24 -1.21 -4.97 118.33 113.76 2kkl n VAL 113 Ca 0.05 -0.43 -0.39 0.00 -2.04 0.00 0.00 64.34 61.53 2kkl n VAL 113 Cb 0.48 1.24 -0.06 0.00 -1.47 0.00 0.00 33.84 34.04 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 2.72 0.17 7.63 0.00 -0.79 -4.83 107.32 110.78 2kkl s GLY 114 Ca 0.15 0.12 -0.12 0.00 0.00 0.00 0.00 44.72 44.87 2kkl s GLY 114 CO 0.26 0.69 1.73 0.23 0.00 0.00 0.00 173.10 176.01 2kkl h SER 115 N 4.93 0.82 -0.38 1.64 0.87 -1.93 -2.68 113.55 116.81 2kkl h SER 115 Ca -0.47 -0.17 -0.07 0.00 -1.23 0.00 0.00 61.79 59.84 2kkl h SER 115 Cb 1.21 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 2kkl h SER 115 CO 0.66 0.77 -0.00 0.17 -0.53 0.00 0.00 176.83 177.91 2kkl h LEU 116 N 0.82 0.74 -2.57 2.23 8.10 -1.97 -3.48 115.31 119.18 2kkl h LEU 116 Ca 0.20 -0.17 0.00 0.00 0.11 0.00 0.00 57.88 58.01 2kkl h LEU 116 Cb 0.21 -0.20 0.00 0.00 -0.44 0.00 0.00 40.66 40.23 2kkl h LEU 116 CO -0.02 0.80 -0.33 -3.20 -4.11 0.00 0.00 178.44 171.59 2kkl n ASN 117 N -4.22 -5.49 0.00 0.17 5.15 -1.01 -4.95 115.26 104.91 2kkl n ASN 117 Ca 0.02 0.39 0.11 0.00 -0.60 0.00 0.00 54.58 54.50 2kkl n ASN 117 Cb 0.30 -3.57 0.09 0.00 -0.53 0.00 0.00 39.78 36.07 2kkl n ASN 117 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kkl n GLY 118 N -0.27 -1.15 3.72 8.20 0.00 -1.26 -4.89 105.19 109.54 2kkl n GLY 118 Ca 0.06 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.01 4.15 0.05 2.61 2.01 -1.26 -4.11 115.64 116.07 2kkl s THR 119 Ca 0.09 1.66 0.03 0.00 0.31 0.00 0.00 61.69 63.78 2kkl s THR 119 Cb 0.17 -4.06 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 2kkl s THR 119 CO 0.77 0.20 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.50 2kkl s TYR 120 N 0.50 0.73 0.13 4.92 2.02 -0.61 -4.74 117.35 120.30 2kkl s TYR 120 Ca 0.53 -0.49 0.05 0.00 -0.37 0.00 0.00 57.07 56.79 2kkl s TYR 120 Cb -0.27 -0.44 -0.04 0.00 -0.40 0.00 0.00 41.96 40.81 2kkl s TYR 120 CO 0.31 -0.07 -0.12 0.54 -1.57 0.00 0.00 175.55 174.64 2kkl s VAL 121 N -1.36 1.24 0.82 0.71 0.11 -1.26 -2.65 120.40 118.01 2kkl s VAL 121 Ca -0.09 -1.84 -0.17 0.00 -2.93 0.00 0.00 61.98 56.96 2kkl s VAL 121 Cb -0.10 -1.62 -0.11 0.00 -1.53 0.00 0.00 36.38 33.02 2kkl s VAL 121 CO 0.01 -0.55 -0.89 0.59 -3.33 0.00 0.00 175.10 170.92 2kkl n ASN 122 N 0.26 -2.61 0.00 3.54 3.02 -1.26 -4.08 115.26 114.13 2kkl n ASN 122 Ca -0.14 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 2kkl n ASN 122 Cb 0.58 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 2kkl n ASN 122 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kkl n ARG 123 N 2.07 0.00 -4.56 3.52 1.74 -1.26 -4.56 116.66 113.61 2kkl n ARG 123 Ca -0.01 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.83 2kkl n ARG 123 Cb 0.46 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.76 2kkl n ARG 123 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2kkl s GLU 124 N 0.00 1.28 0.27 5.56 2.02 -1.26 -5.11 118.70 121.46 2kkl s GLU 124 Ca 0.00 -0.93 -0.29 0.00 0.02 0.00 0.00 54.97 53.77 2kkl s GLU 124 Cb 0.00 -1.39 -0.14 0.00 0.10 0.00 0.00 34.13 32.69 2kkl s GLU 124 CO 0.00 0.35 1.01 -2.30 0.02 0.00 0.00 175.26 174.34 2kkl n PRO 125 N 1.79 1.26 -4.13 0.39 -0.02 -1.26 -4.66 135.00 128.36 2kkl n PRO 125 Ca -0.18 0.44 -0.09 0.00 -2.02 0.00 0.00 63.50 61.66 2kkl n PRO 125 Cb 0.54 -1.81 -0.10 0.00 -0.02 0.00 0.00 33.50 32.10 2kkl n PRO 125 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2kkl s VAL 126 N -0.92 0.46 0.19 -1.45 -7.23 -1.26 -4.98 120.40 105.22 2kkl s VAL 126 Ca 0.61 -1.88 -0.05 0.00 -1.81 0.00 0.00 61.98 58.85 2kkl s VAL 126 Cb -0.73 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.59 2kkl s VAL 126 CO 0.58 -0.93 1.56 -0.78 -0.31 0.00 0.00 175.10 175.23 2kkl h ASP 127 N 3.05 0.79 -5.06 4.85 1.82 -1.95 -3.46 116.42 116.46 2kkl h ASP 127 Ca -0.35 -0.33 -0.03 0.00 -0.39 0.00 0.00 57.03 55.93 2kkl h ASP 127 Cb 1.15 -0.22 -0.12 0.00 0.68 0.00 0.00 39.33 40.83 2kkl h ASP 127 CO 0.65 1.06 0.05 -0.94 -1.61 0.00 0.00 179.24 178.45 2kkl s SER 128 N -6.82 -0.34 0.22 2.28 1.04 -1.26 -2.47 113.70 106.35 2kkl s SER 128 Ca -0.09 -0.29 -0.22 0.00 0.48 0.00 0.00 55.95 55.83 2kkl s SER 128 Cb 0.12 0.55 0.04 0.00 0.10 0.00 0.00 66.02 66.84 2kkl s SER 128 CO 0.85 -0.97 0.68 0.00 0.98 0.00 0.00 173.24 174.78 2kkl s ALA 129 N -3.82 -1.41 -0.13 5.32 0.00 -1.10 -5.04 121.76 115.58 2kkl s ALA 129 Ca 0.05 0.07 -0.16 0.00 0.00 0.00 0.00 51.96 51.91 2kkl s ALA 129 Cb -0.00 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.93 2kkl s ALA 129 CO -0.09 -0.92 0.41 0.08 0.00 0.00 0.00 175.76 175.24 2kkl s VAL 130 N -3.81 5.23 0.40 0.00 1.01 -1.26 -2.20 120.40 119.77 2kkl s VAL 130 Ca 0.07 0.80 -0.23 0.00 0.00 0.00 0.00 61.98 62.62 2kkl s VAL 130 Cb -0.04 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 2kkl s VAL 130 CO -0.02 0.35 1.00 -0.76 0.00 0.00 0.00 175.10 175.68 2kkl s LEU 131 N 0.53 4.09 0.15 3.92 1.43 -0.83 -4.97 118.68 123.01 2kkl s LEU 131 Ca 0.22 1.90 -0.09 0.00 -1.03 0.00 0.00 54.13 55.13 2kkl s LEU 131 Cb -0.14 -4.29 -0.00 0.00 0.03 0.00 0.00 46.19 41.78 2kkl s LEU 131 CO 0.08 -0.41 0.28 0.00 0.23 0.00 0.00 176.35 176.52 2kkl s ALA 132 N -1.82 -0.09 0.12 4.21 0.00 -1.26 -4.59 121.76 118.33 2kkl s ALA 132 Ca 0.59 -0.80 -0.31 0.00 0.00 0.00 0.00 51.96 51.44 2kkl s ALA 132 Cb -0.17 0.79 -0.09 0.00 0.00 0.00 0.00 23.12 23.64 2kkl s ALA 132 CO 0.22 -0.63 1.64 0.54 0.00 0.00 0.00 175.76 177.53 2kkl s ASN 133 N -2.94 6.57 0.00 0.00 2.20 -1.26 -1.76 114.94 117.75 2kkl s ASN 133 Ca 0.14 2.58 0.00 0.00 -0.94 0.00 0.00 52.86 54.64 2kkl s ASN 133 Cb 0.03 -2.58 0.00 0.00 -2.00 0.00 0.00 41.25 36.71 2kkl s ASN 133 CO -0.02 -0.87 0.00 0.61 -2.94 0.00 0.00 177.10 173.87 2kkl n GLY 134 N 3.92 0.52 3.90 0.45 0.00 0.30 -4.97 105.19 109.31 2kkl n GLY 134 Ca 0.15 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 2kkl n GLY 134 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kkl s ASP 135 N -2.52 6.22 -0.18 1.61 2.15 -0.72 -4.87 116.67 118.36 2kkl s ASP 135 Ca 0.00 1.02 -0.03 0.00 0.43 0.00 0.00 52.55 53.97 2kkl s ASP 135 Cb 0.00 -2.27 -0.01 0.00 -0.30 0.00 0.00 42.92 40.34 2kkl s ASP 135 CO 0.00 -0.66 -0.07 -0.70 -0.17 0.00 0.00 175.17 173.57 2kkl s GLU 136 N -4.85 3.42 -0.06 4.34 2.12 -1.26 -1.27 118.70 121.15 2kkl s GLU 136 Ca 0.49 -0.63 0.03 0.00 0.36 0.00 0.00 54.97 55.23 2kkl s GLU 136 Cb -0.10 -2.88 0.00 0.00 0.26 0.00 0.00 34.13 31.41 2kkl s GLU 136 CO 0.47 -0.01 -0.15 0.08 -0.54 0.00 0.00 175.26 175.11 2kkl s VAL 137 N 0.98 1.29 -0.22 3.70 1.01 0.20 -4.20 120.40 123.15 2kkl s VAL 137 Ca -0.00 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.39 2kkl s VAL 137 Cb -0.15 -1.14 0.04 0.00 0.00 0.00 0.00 36.38 35.14 2kkl s VAL 137 CO 0.00 0.38 -0.13 -1.58 0.00 0.00 0.00 175.10 173.78 2kkl s GLN 138 N 0.35 2.32 -0.05 2.72 0.74 -1.08 -0.59 119.66 124.06 2kkl s GLN 138 Ca -0.10 -1.04 0.02 0.00 0.05 0.00 0.00 55.36 54.29 2kkl s GLN 138 Cb -0.14 -2.64 0.02 0.00 1.10 0.00 0.00 33.01 31.35 2kkl s GLN 138 CO 0.03 -0.44 -0.08 0.42 -0.55 0.00 0.00 175.29 174.67 2kkl s ILE 139 N 1.26 0.84 -0.98 -2.34 1.01 -0.90 -1.57 121.20 118.52 2kkl s ILE 139 Ca -0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.28 2kkl s ILE 139 Cb -0.17 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.50 2kkl s ILE 139 CO -0.08 0.29 0.45 0.61 0.00 0.00 0.00 174.94 176.21 2kkl n GLY 140 N 3.90 -0.07 4.38 6.18 0.00 -1.26 -2.11 105.19 116.22 2kkl n GLY 140 Ca -0.24 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.94 0.00 -2.47 1.61 3.00 -1.26 -4.81 118.16 111.29 2kkl n LYS 141 Ca -0.06 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.87 2kkl n LYS 141 Cb 0.57 -2.12 -0.04 0.00 0.00 0.00 0.00 35.03 33.44 2kkl n LYS 141 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2kkl s PHE 142 N -0.70 3.35 -0.27 5.64 0.08 -0.90 -5.01 117.98 120.17 2kkl s PHE 142 Ca 0.00 1.65 -0.11 0.00 0.12 0.00 0.00 56.93 58.59 2kkl s PHE 142 Cb 0.00 -3.24 -0.05 0.00 -0.57 0.00 0.00 43.02 39.16 2kkl s PHE 142 CO 0.00 -0.73 0.20 1.03 -0.10 0.00 0.00 175.22 175.62 2kkl s ARG 143 N -2.06 3.97 0.11 0.44 0.52 -1.25 -2.12 118.95 118.56 2kkl s ARG 143 Ca 0.53 -0.29 0.06 0.00 -0.52 0.00 0.00 55.73 55.51 2kkl s ARG 143 Cb -0.27 -3.64 -0.04 0.00 0.52 0.00 0.00 34.95 31.52 2kkl s ARG 143 CO 0.35 -0.15 -0.15 -0.51 0.02 0.00 0.00 175.30 174.86 2kkl s LEU 144 N 1.68 2.37 -0.02 2.53 1.02 0.25 -0.34 118.68 126.18 2kkl s LEU 144 Ca 0.08 -0.76 0.05 0.00 0.02 0.00 0.00 54.13 53.51 2kkl s LEU 144 Cb -0.16 -0.57 -0.01 0.00 0.02 0.00 0.00 46.19 45.48 2kkl s LEU 144 CO 0.10 -0.12 -0.16 0.54 0.02 0.00 0.00 176.35 176.73 2kkl s VAL 145 N -1.90 1.32 -0.25 -1.59 0.11 -0.73 -0.63 120.40 116.73 2kkl s VAL 145 Ca 0.07 -0.70 -0.20 0.00 -2.93 0.00 0.00 61.98 58.22 2kkl s VAL 145 Cb -0.06 -1.11 -0.02 0.00 -1.53 0.00 0.00 36.38 33.66 2kkl s VAL 145 CO 0.03 0.38 0.62 0.12 -3.33 0.00 0.00 175.10 172.91 2kkl s PHE 146 N -0.27 3.29 0.07 1.54 2.19 -0.39 -2.58 117.98 121.82 2kkl s PHE 146 Ca 0.04 0.81 0.03 0.00 0.33 0.00 0.00 56.93 58.13 2kkl s PHE 146 Cb -0.08 -2.82 -0.03 0.00 -1.31 0.00 0.00 43.02 38.78 2kkl s PHE 146 CO 0.00 -0.31 -0.09 -0.51 1.83 0.00 0.00 175.22 176.15 2kkl s LEU 147 N 2.43 2.33 0.17 6.12 1.43 -1.08 0.11 118.68 130.20 2kkl s LEU 147 Ca 0.26 -0.69 0.07 0.00 -1.03 0.00 0.00 54.13 52.73 2kkl s LEU 147 Cb -0.16 -0.22 -0.04 0.00 0.03 0.00 0.00 46.19 45.80 2kkl s LEU 147 CO 0.09 -0.25 -0.14 0.42 0.23 0.00 0.00 176.35 176.70 2kkl s THR 148 N -1.98 1.54 0.00 5.49 -4.23 -1.26 -2.46 115.64 112.74 2kkl s THR 148 Ca -0.02 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.41 2kkl s THR 148 Cb -0.06 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 71.88 2kkl s THR 148 CO -0.00 -0.58 0.57 0.61 -0.54 0.00 0.00 174.62 174.67 2kkl n GLY 149 N -0.14 -3.40 2.90 3.99 0.00 -1.26 -4.92 105.19 102.35 2kkl n GLY 149 Ca -0.10 0.54 -0.02 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.11 -1.85 -2.04 1.61 -0.00 -1.26 -4.85 115.22 105.71 2kkl n HIS 150 Ca 0.00 1.03 -0.32 0.00 -0.00 0.00 0.00 57.72 58.43 2kkl n HIS 150 Cb 0.00 -2.24 0.00 0.00 -0.00 0.00 0.00 29.99 27.76 2kkl n HIS 150 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2kkl s LYS 151 N -0.48 3.46 0.34 1.57 1.02 -1.26 -4.98 119.74 119.41 2kkl s LYS 151 Ca -0.10 1.04 -0.29 0.00 0.02 0.00 0.00 55.97 56.64 2kkl s LYS 151 Cb 0.01 -2.06 -0.11 0.00 -0.52 0.00 0.00 37.83 35.15 2kkl s LYS 151 CO 0.33 -0.68 1.47 1.14 -0.92 0.00 0.00 175.35 176.70 2kkl s GLN 152 N -4.38 4.17 0.00 1.68 -2.07 -1.26 -4.95 119.66 112.85 2kkl s GLN 152 Ca 0.60 2.49 0.00 0.00 -1.82 0.00 0.00 55.36 56.63 2kkl s GLN 152 Cb -0.13 -3.01 0.00 0.00 -1.09 0.00 0.00 33.01 28.78 2kkl s GLN 152 CO 0.40 -0.48 0.00 0.41 -1.32 0.00 0.00 175.29 174.30 2kkl n GLY 153 N 1.01 -0.70 3.35 2.60 0.00 -1.26 -5.07 105.19 105.12 2kkl n GLY 153 Ca 0.03 -1.11 -0.46 0.00 0.00 0.00 0.00 46.02 44.48 2kkl n GLY 153 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kkl s GLU 154 N -2.00 3.68 0.47 1.61 2.12 -1.26 -5.04 118.70 118.27 2kkl s GLU 154 Ca 0.00 -2.45 -0.19 0.00 0.36 0.00 0.00 54.97 52.69 2kkl s GLU 154 Cb 0.00 -4.53 -0.10 0.00 0.26 0.00 0.00 34.13 29.77 2kkl s GLU 154 CO 0.00 -1.37 0.97 0.34 -0.54 0.00 0.00 175.26 174.67 2kkl s ASP 155 N 2.29 6.75 0.00 -1.70 -1.08 -1.26 -5.03 116.67 116.65 2kkl s ASP 155 Ca 0.22 1.69 0.00 0.00 -0.52 0.00 0.00 52.55 53.94 2kkl s ASP 155 Cb -0.09 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 2kkl s ASP 155 CO -0.09 -0.49 0.28 0.18 0.52 0.00 0.00 175.17 175.57 2kkl n LEU 156 N -0.98 1.30 -2.94 -1.34 4.77 -1.26 -4.99 117.00 111.56 2kkl n LEU 156 Ca 0.07 0.31 -0.02 0.00 -0.03 0.00 0.00 56.01 56.34 2kkl n LEU 156 Cb 0.54 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.57 2kkl n LEU 156 CO 0.40 -0.05 -0.29 -0.62 -1.33 0.00 0.00 177.39 175.50 2kkl n GLU 157 N -0.64 -2.25 -0.38 3.23 1.02 -1.26 -4.81 120.64 115.56 2kkl n GLU 157 Ca 0.00 1.91 -0.02 0.00 -0.02 0.00 0.00 57.16 59.03 2kkl n GLU 157 Cb 0.00 -2.35 0.11 0.00 -0.02 0.00 0.00 31.44 29.18 2kkl n GLU 157 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2kkl h HIS 158 N 4.48 1.27 -2.88 -0.32 3.86 -2.06 -3.41 115.15 116.09 2kkl h HIS 158 Ca -0.16 0.02 -0.66 0.00 -1.16 0.00 0.00 60.37 58.41 2kkl h HIS 158 Cb 0.50 -0.43 -0.10 0.00 1.06 0.00 0.00 27.41 28.45 2kkl h HIS 158 CO 0.00 0.80 -0.51 -1.01 0.86 0.00 0.00 177.93 178.07 2kkl s HIS 159 N -6.10 3.47 -0.46 2.45 3.76 -1.26 -5.04 115.29 112.11 2kkl s HIS 159 Ca -0.13 0.41 0.05 0.00 -0.15 0.00 0.00 55.06 55.25 2kkl s HIS 159 Cb 0.18 -1.94 0.18 0.00 1.11 0.00 0.00 32.58 32.11 2kkl s HIS 159 CO 0.82 0.61 0.52 1.58 -0.85 0.00 0.00 174.74 177.42 2kkl n HIS 160 N 2.25 -2.22 -3.12 1.40 -0.00 -1.26 -5.02 115.22 107.25 2kkl n HIS 160 Ca -0.19 -2.45 -0.05 0.00 0.46 0.00 0.00 57.72 55.49 2kkl n HIS 160 Cb 0.54 0.80 0.01 0.00 -0.12 0.00 0.00 29.99 31.22 2kkl n HIS 160 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kkl n HIS 161 N 2.84 -1.28 -3.22 1.57 8.25 -1.26 -4.89 115.22 117.24 2kkl n HIS 161 Ca 0.24 0.55 -0.39 0.00 -0.26 0.00 0.00 57.72 57.87 2kkl n HIS 161 Cb 0.52 -1.82 -0.06 0.00 1.12 0.00 0.00 29.99 29.74 2kkl n HIS 161 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kkl s HIS 162 N -1.25 3.42 -2.00 4.41 -3.43 -1.26 -5.31 115.29 109.87 2kkl s HIS 162 Ca 0.06 0.87 0.21 0.00 -0.80 0.00 0.00 55.06 55.39 2kkl s HIS 162 Cb -0.01 -2.68 1.26 0.00 -1.43 0.00 0.00 32.58 29.72 2kkl s HIS 162 CO 0.30 -0.05 1.64 -2.39 -2.00 0.00 0.00 174.74 172.24