#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 3.17 0.34 6.34 0.08 -1.26 -5.02 117.98 121.63 2kkl s PHE 25 Ca 0.00 1.62 -0.26 0.00 0.12 0.00 0.00 56.93 58.41 2kkl s PHE 25 Cb 0.00 -3.05 -0.10 0.00 -0.57 0.00 0.00 43.02 39.30 2kkl s PHE 25 CO 0.00 -0.61 0.98 -0.98 -0.10 0.00 0.00 175.22 174.51 2kkl s ARG 26 N -2.89 4.49 -0.26 0.44 1.70 -1.26 -5.04 118.95 116.13 2kkl s ARG 26 Ca 0.62 1.40 -0.32 0.00 -0.47 0.00 0.00 55.73 56.96 2kkl s ARG 26 Cb -0.18 -2.76 0.17 0.00 -0.57 0.00 0.00 34.95 31.62 2kkl s ARG 26 CO 0.22 0.17 1.30 0.00 -1.08 0.00 0.00 175.30 175.91 2kkl s ALA 27 N -1.60 -2.10 -0.32 7.88 0.00 -1.26 -4.83 121.76 119.52 2kkl s ALA 27 Ca 0.52 1.82 0.00 0.00 0.00 0.00 0.00 51.96 54.29 2kkl s ALA 27 Cb -0.20 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 21.89 2kkl s ALA 27 CO 0.26 -0.35 0.00 -3.47 0.00 0.00 0.00 175.76 172.19 2kkl n ASP 28 N 0.36 -3.64 0.00 0.00 2.03 -1.26 -4.46 116.55 109.58 2kkl n ASP 28 Ca -0.00 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.38 2kkl n ASP 28 Cb 0.58 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.58 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 -2.82 0.00 -2.25 -0.67 1.16 -1.26 -5.13 117.46 106.50 2kkl n PHE 29 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.55 2kkl n PHE 29 Cb 0.14 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.01 2kkl n PHE 29 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 2kkl n LEU 30 N -0.73 -4.76 -2.90 5.98 4.77 -1.26 -4.69 117.00 113.41 2kkl n LEU 30 Ca 0.00 2.37 -0.09 0.00 -0.03 0.00 0.00 56.01 58.26 2kkl n LEU 30 Cb 0.00 -2.77 0.01 0.00 -2.33 0.00 0.00 43.42 38.33 2kkl n LEU 30 CO 0.00 -2.49 -0.13 -0.24 -1.33 0.00 0.00 177.39 173.21 2kkl n SER 31 N 1.90 -7.68 0.01 -1.43 2.88 -1.26 -4.90 113.62 103.14 2kkl n SER 31 Ca 0.00 0.66 -0.06 0.00 -1.33 0.00 0.00 58.87 58.14 2kkl n SER 31 Cb 0.00 -4.87 0.13 0.00 -0.75 0.00 0.00 64.21 58.72 2kkl n SER 31 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2kkl h GLU 32 N 2.30 0.50 -5.43 -1.46 4.81 -2.01 -3.41 114.58 109.89 2kkl h GLU 32 Ca -0.06 -0.25 -0.63 0.00 -0.13 0.00 0.00 59.36 58.29 2kkl h GLU 32 Cb 0.82 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.07 2kkl h GLU 32 CO 0.17 0.82 0.08 -1.17 -0.73 0.00 0.00 179.01 178.19 2kkl s LEU 33 N -8.48 4.19 0.40 1.64 0.20 -1.26 -5.04 118.68 110.33 2kkl s LEU 33 Ca -0.07 0.30 -0.26 0.00 0.69 0.00 0.00 54.13 54.79 2kkl s LEU 33 Cb 0.13 -2.74 -0.09 0.00 -0.43 0.00 0.00 46.19 43.06 2kkl s LEU 33 CO 0.81 -0.47 1.27 -1.81 -0.29 0.00 0.00 176.35 175.86 2kkl s ASP 34 N 1.68 6.39 -0.35 3.68 1.01 -1.26 -4.94 116.67 122.87 2kkl s ASP 34 Ca 0.23 2.58 0.04 0.00 0.71 0.00 0.00 52.55 56.11 2kkl s ASP 34 Cb -0.15 -2.63 0.23 0.00 1.01 0.00 0.00 42.92 41.38 2kkl s ASP 34 CO 0.12 -0.79 1.22 0.00 0.21 0.00 0.00 175.17 175.93 2kkl n ALA 35 N 0.16 -1.71 -1.76 5.23 0.00 -1.26 -5.04 120.51 116.12 2kkl n ALA 35 Ca 0.04 -0.71 -0.38 0.00 0.00 0.00 0.00 53.44 52.39 2kkl n ALA 35 Cb 0.44 -1.63 0.01 0.00 0.00 0.00 0.00 19.45 18.27 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 0.09 3.54 0.06 0.00 0.04 -1.26 -4.63 135.00 132.85 2kkl s PRO 36 Ca 0.14 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.13 2kkl s PRO 36 Cb 0.22 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2kkl s PRO 36 CO -0.09 -0.78 0.00 0.00 0.04 0.00 0.00 177.00 176.17 2kkl n ALA 37 N -0.66 0.00 -1.79 8.56 0.00 -1.26 -4.39 120.51 120.97 2kkl n ALA 37 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.17 2kkl n ALA 37 Cb 0.47 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 2kkl n ALA 37 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2kkl s GLN 38 N 0.00 3.91 0.00 0.00 -1.52 -1.26 -4.92 119.66 115.86 2kkl s GLN 38 Ca 0.00 1.42 0.28 0.00 -1.95 0.00 0.00 55.36 55.11 2kkl s GLN 38 Cb 0.00 -2.23 1.30 0.00 -0.22 0.00 0.00 33.01 31.86 2kkl s GLN 38 CO 0.00 -0.35 1.94 0.00 -0.25 0.00 0.00 175.29 176.63 2kkl n ALA 39 N -0.69 2.34 -3.00 6.09 0.00 -1.26 -4.79 120.51 119.19 2kkl n ALA 39 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2kkl n ALA 39 Cb 0.52 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 1.28 0.75 3.73 0.00 0.00 -1.26 -4.95 105.19 104.74 2kkl n GLY 40 Ca 0.10 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.15 2.20 -0.55 2.61 2.01 -1.26 -4.89 115.64 113.61 2kkl s THR 41 Ca 0.00 0.16 0.23 0.00 0.31 0.00 0.00 61.69 62.39 2kkl s THR 41 Cb 0.00 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.39 2kkl s THR 41 CO 0.00 0.02 1.16 -1.84 -0.69 0.00 0.00 174.62 173.27 2kkl n GLU 42 N 3.36 0.35 -2.48 4.92 0.28 -1.26 -4.90 120.64 120.90 2kkl n GLU 42 Ca 0.13 0.06 -0.36 0.00 -0.16 0.00 0.00 57.16 56.82 2kkl n GLU 42 Cb 0.37 -1.67 -0.03 0.00 1.43 0.00 0.00 31.44 31.53 2kkl n GLU 42 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2kkl s SER 43 N -4.31 6.52 0.00 -1.84 0.01 -1.26 -4.88 113.70 107.93 2kkl s SER 43 Ca 0.04 2.07 0.00 0.00 1.31 0.00 0.00 55.95 59.36 2kkl s SER 43 Cb 0.13 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2kkl s SER 43 CO 0.76 -0.66 0.00 0.00 0.41 0.00 0.00 173.24 173.75 2kkl n ALA 44 N -0.40 0.48 -0.82 1.44 0.00 -1.26 -5.02 120.51 114.93 2kkl n ALA 44 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2kkl n ALA 44 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.42 0.00 -1.68 0.00 0.31 -1.26 -4.92 118.33 109.36 2kkl n VAL 45 Ca 0.00 0.14 -0.31 0.00 -0.01 0.00 0.00 64.34 64.17 2kkl n VAL 45 Cb 0.00 -0.36 0.05 0.00 -0.91 0.00 0.00 33.84 32.61 2kkl n VAL 45 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2kkl s SER 46 N -1.39 5.44 0.00 4.52 1.04 -1.26 -5.05 113.70 117.00 2kkl s SER 46 Ca 0.00 1.45 -0.00 0.00 0.48 0.00 0.00 55.95 57.88 2kkl s SER 46 Cb 0.00 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.79 2kkl s SER 46 CO 0.00 -1.38 0.00 0.61 0.98 0.00 0.00 173.24 173.45 2kkl n GLY 47 N -2.33 1.07 0.03 7.32 0.00 -1.26 -4.97 105.19 105.05 2kkl n GLY 47 Ca 0.07 -0.89 0.14 0.00 0.00 0.00 0.00 46.02 45.33 2kkl n GLY 47 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kkl n VAL 48 N -0.00 0.00 -2.74 1.61 0.24 -1.26 -4.72 118.33 111.47 2kkl n VAL 48 Ca 0.00 -0.02 -0.43 0.00 -2.04 0.00 0.00 64.34 61.86 2kkl n VAL 48 Cb 0.00 -0.17 -0.03 0.00 -1.47 0.00 0.00 33.84 32.17 2kkl n VAL 48 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2kkl s GLU 49 N -2.83 3.46 0.43 7.34 2.12 -1.26 -4.68 118.70 123.28 2kkl s GLU 49 Ca 0.18 0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.56 2kkl s GLU 49 Cb 0.19 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 30.58 2kkl s GLU 49 CO 0.56 -1.48 0.00 0.41 -0.54 0.00 0.00 175.26 174.21 2kkl n GLY 50 N 5.04 -4.98 2.65 -1.50 0.00 -1.26 -5.01 105.19 100.13 2kkl n GLY 50 Ca 0.06 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 2kkl n GLY 50 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kkl n LEU 51 N 0.15 -2.30 -0.32 0.99 -0.00 -1.26 -4.80 117.00 109.47 2kkl n LEU 51 Ca 0.00 -3.60 0.15 0.00 -0.00 0.00 0.00 56.01 52.56 2kkl n LEU 51 Cb 0.00 0.82 0.34 0.00 -0.00 0.00 0.00 43.42 44.58 2kkl n LEU 51 CO 0.00 2.03 1.07 -0.65 -0.00 0.00 0.00 177.39 179.84 2kkl h PRO 52 N 3.84 0.41 -7.05 1.47 0.11 -1.98 -3.41 132.00 125.38 2kkl h PRO 52 Ca -0.11 -0.02 -0.55 0.00 0.11 0.00 0.00 66.00 65.43 2kkl h PRO 52 Cb 1.02 -0.09 0.14 0.00 0.11 0.00 0.00 31.00 32.17 2kkl h PRO 52 CO 0.33 0.27 0.60 -2.14 -0.21 0.00 0.00 178.00 176.84 2kkl s PRO 53 N -5.84 3.09 -0.71 1.05 0.02 -1.26 -4.75 135.00 126.60 2kkl s PRO 53 Ca -0.11 2.20 -0.16 0.00 0.02 0.00 0.00 61.00 62.95 2kkl s PRO 53 Cb 0.26 -2.21 -0.17 0.00 0.02 0.00 0.00 34.50 32.40 2kkl s PRO 53 CO 0.78 -1.22 1.87 0.41 -0.33 0.00 0.00 177.00 178.51 2kkl n GLY 54 N 0.73 -0.28 3.19 0.52 0.00 -1.26 -4.82 105.19 103.27 2kkl n GLY 54 Ca 0.11 0.09 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 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 9.38 2.38 0.10 0.99 1.43 -1.26 -5.00 118.68 126.70 2kkl s LEU 55 Ca 0.69 -0.77 -0.16 0.00 -1.03 0.00 0.00 54.13 52.86 2kkl s LEU 55 Cb -0.17 -0.41 0.03 0.00 0.03 0.00 0.00 46.19 45.66 2kkl s LEU 55 CO 0.17 -0.19 0.38 0.00 0.23 0.00 0.00 176.35 176.94 2kkl s ALA 56 N -2.11 -0.86 0.08 4.21 0.00 -1.26 -4.71 121.76 117.11 2kkl s ALA 56 Ca 0.05 -0.04 0.05 0.00 0.00 0.00 0.00 51.96 52.02 2kkl s ALA 56 Cb -0.05 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 2kkl s ALA 56 CO 0.01 -0.59 -0.14 -0.51 0.00 0.00 0.00 175.76 174.53 2kkl s LEU 57 N -2.64 2.31 -0.07 0.00 1.02 -0.98 -2.56 118.68 115.74 2kkl s LEU 57 Ca 0.01 -0.66 0.03 0.00 0.02 0.00 0.00 54.13 53.53 2kkl s LEU 57 Cb 0.02 -0.54 -0.02 0.00 0.02 0.00 0.00 46.19 45.67 2kkl s LEU 57 CO -0.10 -0.09 -0.16 -0.76 0.02 0.00 0.00 176.35 175.26 2kkl s LEU 58 N -1.90 2.60 -0.07 1.79 1.43 -0.79 -2.71 118.68 119.04 2kkl s LEU 58 Ca 0.01 -0.29 0.05 0.00 -1.03 0.00 0.00 54.13 52.86 2kkl s LEU 58 Cb -0.09 -1.53 -0.00 0.00 0.03 0.00 0.00 46.19 44.59 2kkl s LEU 58 CO 0.02 0.28 -0.22 -0.69 0.23 0.00 0.00 176.35 175.97 2kkl s VAL 59 N -0.33 1.87 -0.54 -1.59 1.01 -1.08 -1.18 120.40 118.56 2kkl s VAL 59 Ca 0.03 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 60.79 2kkl s VAL 59 Cb -0.13 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 2kkl s VAL 59 CO 0.02 0.52 1.81 -0.69 0.00 0.00 0.00 175.10 176.77 2kkl s VAL 60 N 0.12 3.42 0.12 2.92 1.01 -1.07 -1.80 120.40 125.12 2kkl s VAL 60 Ca -0.10 0.31 -0.15 0.00 0.00 0.00 0.00 61.98 62.04 2kkl s VAL 60 Cb -0.15 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 2kkl s VAL 60 CO 0.05 -0.79 1.57 0.50 0.00 0.00 0.00 175.10 176.43 2kkl h LYS 61 N 14.21 0.67 -4.81 2.72 3.64 -1.03 -3.37 116.57 128.59 2kkl h LYS 61 Ca -0.28 -0.21 -0.45 0.00 -1.27 0.00 0.00 60.65 58.44 2kkl h LYS 61 Cb 1.16 -0.06 -0.30 0.00 -0.41 0.00 0.00 32.23 32.61 2kkl h LYS 61 CO 1.17 0.76 -0.80 0.50 -2.27 0.00 0.00 179.45 178.81 2kkl s ARG 62 N -5.03 1.08 0.00 1.90 3.52 -1.13 -4.96 118.95 114.34 2kkl s ARG 62 Ca -0.13 -0.38 0.00 0.00 -0.13 0.00 0.00 55.73 55.09 2kkl s ARG 62 Cb 0.10 -1.00 0.00 0.00 -1.56 0.00 0.00 34.95 32.48 2kkl s ARG 62 CO 0.79 0.17 0.00 0.41 -0.81 0.00 0.00 175.30 175.85 2kkl n GLY 63 N 3.14 2.69 0.28 8.12 0.00 -1.26 -3.43 105.19 114.74 2kkl n GLY 63 Ca -0.17 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 0.56 -0.26 1.61 0.13 -1.99 -2.86 132.00 129.19 2kkl h PRO 64 Ca 0.00 -0.10 -0.05 0.00 -0.87 0.00 0.00 66.00 64.98 2kkl h PRO 64 Cb 0.00 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.03 2kkl h PRO 64 CO 0.00 0.53 -0.03 -0.91 -0.23 0.00 0.00 178.00 177.36 2kkl h ASN 65 N 0.55 0.47 -3.86 1.44 2.35 -1.96 -3.48 115.58 111.09 2kkl h ASN 65 Ca 0.13 -0.34 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 2kkl h ASN 65 Cb 0.24 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2kkl h ASN 65 CO -0.00 0.70 -0.32 0.00 -1.65 0.00 0.00 177.43 176.16 2kkl n ALA 66 N -2.37 -1.32 0.00 -0.83 0.00 -1.08 -4.19 120.51 110.71 2kkl n ALA 66 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2kkl n ALA 66 Cb 0.28 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 1.36 1.31 3.76 0.00 0.00 -1.26 -5.09 105.19 105.27 2kkl n GLY 67 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2kkl n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kkl s SER 68 N -0.77 4.40 0.17 1.61 1.04 -1.26 -4.90 113.70 114.00 2kkl s SER 68 Ca 0.00 1.77 -0.14 0.00 0.48 0.00 0.00 55.95 58.06 2kkl s SER 68 Cb 0.00 -2.47 0.02 0.00 0.10 0.00 0.00 66.02 63.66 2kkl s SER 68 CO 0.00 -2.09 0.42 0.00 0.98 0.00 0.00 173.24 172.54 2kkl s ARG 69 N -4.92 1.25 0.01 4.02 3.03 -1.26 -2.59 118.95 118.49 2kkl s ARG 69 Ca 0.61 -0.95 0.05 0.00 2.03 0.00 0.00 55.73 57.48 2kkl s ARG 69 Cb -0.17 0.46 -0.02 0.00 -1.03 0.00 0.00 34.95 34.19 2kkl s ARG 69 CO 0.56 -0.50 -0.16 -0.06 -1.13 0.00 0.00 175.30 174.02 2kkl s PHE 70 N -3.89 1.39 -0.20 5.89 0.08 -0.32 -4.97 117.98 115.96 2kkl s PHE 70 Ca 0.11 -0.30 -0.07 0.00 0.12 0.00 0.00 56.93 56.78 2kkl s PHE 70 Cb 0.01 -0.87 -0.04 0.00 -0.57 0.00 0.00 43.02 41.56 2kkl s PHE 70 CO -0.03 0.01 0.06 -1.17 -0.10 0.00 0.00 175.22 173.99 2kkl s LEU 71 N -0.70 3.70 -0.32 -0.37 0.20 -1.26 -1.88 118.68 118.04 2kkl s LEU 71 Ca 0.05 0.00 -0.20 0.00 0.69 0.00 0.00 54.13 54.67 2kkl s LEU 71 Cb -0.07 -1.95 -0.01 0.00 -0.43 0.00 0.00 46.19 43.74 2kkl s LEU 71 CO 0.00 0.12 0.59 -0.76 -0.29 0.00 0.00 176.35 176.02 2kkl s LEU 72 N 0.68 4.20 0.00 -0.68 1.43 -1.06 -4.78 118.68 118.46 2kkl s LEU 72 Ca 0.03 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 2kkl s LEU 72 Cb -0.13 -2.74 0.00 0.00 0.03 0.00 0.00 46.19 43.34 2kkl s LEU 72 CO 0.02 -0.49 0.54 -0.90 0.23 0.00 0.00 176.35 175.75 2kkl n ASP 73 N 5.86 0.00 -4.09 2.29 5.75 -1.26 -4.34 116.55 120.76 2kkl n ASP 73 Ca -0.02 -1.11 -0.22 0.00 -0.01 0.00 0.00 54.79 53.43 2kkl n ASP 73 Cb 0.49 -0.02 -0.15 0.00 -1.03 0.00 0.00 41.12 40.40 2kkl n ASP 73 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 2kkl s GLN 74 N 0.00 1.14 0.22 0.11 0.74 -1.26 -5.12 119.66 115.50 2kkl s GLN 74 Ca 0.00 -0.47 -0.30 0.00 0.05 0.00 0.00 55.36 54.64 2kkl s GLN 74 Cb 0.00 -1.08 -0.09 0.00 1.10 0.00 0.00 33.01 32.93 2kkl s GLN 74 CO 0.00 0.26 1.37 0.00 -0.55 0.00 0.00 175.29 176.36 2kkl s ALA 75 N -0.20 3.57 -0.18 1.58 0.00 -1.26 -4.21 121.76 121.05 2kkl s ALA 75 Ca 0.03 1.20 -0.03 0.00 0.00 0.00 0.00 51.96 53.17 2kkl s ALA 75 Cb -0.06 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.55 2kkl s ALA 75 CO -0.00 -0.62 0.05 -0.89 0.00 0.00 0.00 175.76 174.30 2kkl n ILE 76 N 2.52 -8.72 -3.73 0.00 2.08 -1.26 -4.95 119.36 105.30 2kkl n ILE 76 Ca 0.06 1.54 -0.37 0.00 0.56 0.00 0.00 62.75 64.54 2kkl n ILE 76 Cb 0.42 -5.47 -0.12 0.00 -0.75 0.00 0.00 39.64 33.72 2kkl n ILE 76 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 2kkl s THR 77 N -1.12 4.32 0.50 1.39 2.01 -0.64 -4.95 115.64 117.15 2kkl s THR 77 Ca -0.06 -0.32 -0.07 0.00 0.31 0.00 0.00 61.69 61.55 2kkl s THR 77 Cb 0.00 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 2kkl s THR 77 CO 0.52 0.23 0.83 -0.44 -0.69 0.00 0.00 174.62 175.08 2kkl s SER 78 N 1.60 6.29 0.42 3.53 0.01 -1.26 -0.92 113.70 123.36 2kkl s SER 78 Ca 0.05 1.05 0.08 0.00 1.31 0.00 0.00 55.95 58.44 2kkl s SER 78 Cb -0.16 -2.30 -0.02 0.00 0.21 0.00 0.00 66.02 63.75 2kkl s SER 78 CO 0.04 -0.61 0.38 0.00 0.41 0.00 0.00 173.24 173.45 2kkl s ALA 79 N -2.78 4.07 0.00 1.44 0.00 -0.89 -4.47 121.76 119.12 2kkl s ALA 79 Ca 0.49 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.57 2kkl s ALA 79 Cb -0.10 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 22.01 2kkl s ALA 79 CO 0.45 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.39 2kkl n GLY 80 N -1.55 2.04 3.77 0.00 0.00 -1.24 -3.50 105.19 104.71 2kkl n GLY 80 Ca 0.04 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 4.28 -0.14 1.61 0.52 -0.68 -3.92 118.95 120.62 2kkl s ARG 81 Ca 0.00 1.84 -0.19 0.00 -0.52 0.00 0.00 55.73 56.86 2kkl s ARG 81 Cb 0.00 -2.86 -0.25 0.00 0.52 0.00 0.00 34.95 32.36 2kkl s ARG 81 CO 0.00 -0.12 0.48 1.25 0.02 0.00 0.00 175.30 176.93 2kkl h HIS 82 N 3.06 0.27 -2.64 -0.53 -0.00 -1.82 -3.42 115.15 110.06 2kkl h HIS 82 Ca -0.48 -0.19 -0.59 0.00 -0.00 0.00 0.00 60.37 59.11 2kkl h HIS 82 Cb 1.22 -0.01 0.08 0.00 -0.00 0.00 0.00 27.41 28.71 2kkl h HIS 82 CO 0.57 1.47 0.58 -2.30 -0.00 0.00 0.00 177.93 178.25 2kkl n PRO 83 N -4.13 1.96 -2.89 5.26 -0.02 -1.26 -1.45 135.00 132.47 2kkl n PRO 83 Ca -0.25 0.70 -0.20 0.00 -2.02 0.00 0.00 63.50 61.73 2kkl n PRO 83 Cb 0.79 -2.34 0.01 0.00 -0.02 0.00 0.00 33.50 31.94 2kkl n PRO 83 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2kkl n ASP 84 N 2.08 -4.77 -3.53 2.55 8.00 -1.26 -4.92 116.55 114.69 2kkl n ASP 84 Ca 0.12 -0.15 -0.00 0.00 0.71 0.00 0.00 54.79 55.46 2kkl n ASP 84 Cb 0.31 -3.94 -0.04 0.00 -0.02 0.00 0.00 41.12 37.44 2kkl n ASP 84 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2kkl s SER 85 N -2.44 -1.16 0.25 -2.24 0.15 -0.53 -4.42 113.70 103.31 2kkl s SER 85 Ca 0.21 1.39 -0.03 0.00 0.70 0.00 0.00 55.95 58.22 2kkl s SER 85 Cb -0.10 2.23 0.31 0.00 -1.71 0.00 0.00 66.02 66.75 2kkl s SER 85 CO 0.26 -0.23 1.78 0.44 1.20 0.00 0.00 173.24 176.69 2kkl h ASP 86 N 8.01 0.86 -3.27 5.45 3.32 -1.84 -3.42 116.42 125.54 2kkl h ASP 86 Ca -0.19 -0.17 -0.56 0.00 0.02 0.00 0.00 57.03 56.13 2kkl h ASP 86 Cb 1.11 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.40 2kkl h ASP 86 CO 0.14 0.85 0.54 -0.63 -1.72 0.00 0.00 179.24 178.42 2kkl s ILE 87 N -5.20 4.80 -0.48 0.35 1.01 -1.26 -4.79 121.20 115.62 2kkl s ILE 87 Ca -0.10 1.99 0.03 0.00 0.00 0.00 0.00 60.65 62.57 2kkl s ILE 87 Cb 0.15 -4.29 0.15 0.00 0.01 0.00 0.00 42.46 38.48 2kkl s ILE 87 CO 0.82 0.01 0.31 0.12 0.00 0.00 0.00 174.94 176.19 2kkl s PHE 88 N 2.00 2.09 0.37 3.97 5.36 -1.26 -4.29 117.98 126.21 2kkl s PHE 88 Ca 0.47 -2.56 -0.24 0.00 -0.96 0.00 0.00 56.93 53.64 2kkl s PHE 88 Cb -0.18 -1.84 -0.10 0.00 -0.34 0.00 0.00 43.02 40.56 2kkl s PHE 88 CO 0.17 -0.75 0.95 -0.51 -1.46 0.00 0.00 175.22 173.63 2kkl s LEU 89 N -0.03 4.17 0.00 6.12 1.43 -1.25 -4.93 118.68 124.19 2kkl s LEU 89 Ca 0.22 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 2kkl s LEU 89 Cb -0.15 -4.24 0.00 0.00 0.03 0.00 0.00 46.19 41.83 2kkl s LEU 89 CO -0.07 -0.21 0.00 -0.67 0.23 0.00 0.00 176.35 175.63 2kkl n ASP 90 N 0.04 0.00 0.00 2.29 -0.08 -1.26 -4.52 116.55 113.02 2kkl n ASP 90 Ca 0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 2kkl n ASP 90 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 2kkl n ASP 90 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2kkl n ASP 91 N 0.00 0.00 0.00 1.67 8.00 -1.26 -4.89 116.55 120.07 2kkl n ASP 91 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2kkl n ASP 91 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2kkl n ASP 91 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2kkl n VAL 92 N 0.00 0.00 -0.07 2.53 0.31 -1.26 0.10 118.33 119.94 2kkl n VAL 92 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 2kkl n VAL 92 Cb 0.00 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.01 2kkl n VAL 92 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2kkl n THR 93 N 0.00 0.92 -4.72 2.52 -2.24 -1.26 -4.98 114.28 104.53 2kkl n THR 93 Ca 0.00 -0.96 -0.33 0.00 -2.27 0.00 0.00 64.05 60.49 2kkl n THR 93 Cb 0.00 0.55 -0.14 0.00 -2.10 0.00 0.00 70.33 68.64 2kkl n THR 93 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2kkl s VAL 94 N -0.96 3.22 0.00 2.28 1.01 0.28 -4.69 120.40 121.54 2kkl s VAL 94 Ca 0.12 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2kkl s VAL 94 Cb 0.06 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 34.09 2kkl s VAL 94 CO 0.08 0.53 0.00 -0.24 0.00 0.00 0.00 175.10 175.47 2kkl n SER 95 N 3.39 0.00 -0.24 3.32 2.88 -1.26 -4.52 113.62 117.18 2kkl n SER 95 Ca -0.18 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.29 2kkl n SER 95 Cb 0.53 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.03 2kkl n SER 95 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2kkl h ARG 96 N 0.00 1.04 0.00 -1.46 3.08 -1.95 -3.41 114.38 111.69 2kkl h ARG 96 Ca 0.00 -0.21 -0.18 0.00 0.07 0.00 0.00 59.98 59.66 2kkl h ARG 96 Cb 0.00 -0.16 -0.13 0.00 0.08 0.00 0.00 29.97 29.76 2kkl h ARG 96 CO 0.00 0.89 -0.21 2.89 -1.07 0.00 0.00 179.97 182.47 2kkl n ARG 97 N -4.35 0.74 0.00 0.04 1.85 -1.23 -1.68 116.66 112.03 2kkl n ARG 97 Ca 0.05 -1.44 0.02 0.00 -1.00 0.00 0.00 57.85 55.48 2kkl n ARG 97 Cb 0.20 -0.46 0.11 0.00 -1.05 0.00 0.00 32.46 31.26 2kkl n ARG 97 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 2kkl n HIS 98 N 0.05 0.00 -3.88 2.89 -0.00 -1.26 -4.56 115.22 108.46 2kkl n HIS 98 Ca -0.04 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.03 2kkl n HIS 98 Cb 0.74 -0.32 -0.11 0.00 -0.12 0.00 0.00 29.99 30.18 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 -2.64 -0.24 -0.05 1.57 0.00 -1.26 -4.28 121.76 114.85 2kkl s ALA 99 Ca 0.04 -0.10 -0.05 0.00 0.00 0.00 0.00 51.96 51.85 2kkl s ALA 99 Cb 0.03 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.20 2kkl s ALA 99 CO 0.07 -0.16 0.14 -2.00 0.00 0.00 0.00 175.76 173.81 2kkl s GLU 100 N -1.04 0.16 0.01 0.00 2.12 -0.91 -2.10 118.70 116.94 2kkl s GLU 100 Ca -0.11 0.22 0.01 0.00 0.36 0.00 0.00 54.97 55.45 2kkl s GLU 100 Cb -0.06 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.34 2kkl s GLU 100 CO 0.01 -0.04 0.04 -0.06 -0.54 0.00 0.00 175.26 174.67 2kkl s PHE 101 N 0.19 3.16 0.02 5.30 0.08 -0.10 -0.40 117.98 126.24 2kkl s PHE 101 Ca -0.01 0.12 0.03 0.00 0.12 0.00 0.00 56.93 57.19 2kkl s PHE 101 Cb -0.02 -1.68 -0.02 0.00 -0.57 0.00 0.00 43.02 40.73 2kkl s PHE 101 CO -0.00 0.50 -0.10 1.03 -0.10 0.00 0.00 175.22 176.55 2kkl s ARG 102 N -1.75 0.73 -0.23 0.44 0.52 -0.92 -1.62 118.95 116.11 2kkl s ARG 102 Ca 0.22 -0.54 -0.07 0.00 -0.52 0.00 0.00 55.73 54.82 2kkl s ARG 102 Cb -0.12 -0.67 -0.03 0.00 0.52 0.00 0.00 34.95 34.65 2kkl s ARG 102 CO 0.13 0.17 0.05 -1.17 0.02 0.00 0.00 175.30 174.50 2kkl s LEU 103 N -0.79 3.39 0.00 2.53 2.96 -1.26 -2.06 118.68 123.45 2kkl s LEU 103 Ca -0.00 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 2kkl s LEU 103 Cb -0.06 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.74 2kkl s LEU 103 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.35 173.20 2kkl n GLU 104 N 4.66 0.00 -2.86 1.98 0.00 -0.90 -4.91 120.64 118.62 2kkl n GLU 104 Ca -0.17 0.00 -0.44 0.00 0.00 0.00 0.00 57.16 56.56 2kkl n GLU 104 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 31.44 31.95 2kkl n GLU 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2kkl s ASN 105 N -0.29 6.99 -1.31 -1.84 4.22 -1.26 -4.40 114.94 117.05 2kkl s ASN 105 Ca 0.00 -2.80 -0.02 0.00 -2.14 0.00 0.00 52.86 47.90 2kkl s ASN 105 Cb 0.00 -2.44 0.01 0.00 1.28 0.00 0.00 41.25 40.10 2kkl s ASN 105 CO 0.00 -0.87 0.14 0.59 -2.04 0.00 0.00 177.10 174.93 2kkl n ASN 106 N 6.35 -4.61 -3.76 3.54 3.02 -1.26 -4.94 115.26 113.60 2kkl n ASN 106 Ca 0.39 0.01 -0.14 0.00 -0.03 0.00 0.00 54.58 54.80 2kkl n ASN 106 Cb 0.44 -3.85 -0.15 0.00 -0.61 0.00 0.00 39.78 35.61 2kkl n ASN 106 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2kkl s GLU 107 N -5.26 0.01 0.16 3.52 0.41 -1.26 -5.00 118.70 111.29 2kkl s GLU 107 Ca 0.09 0.25 -0.08 0.00 -0.41 0.00 0.00 54.97 54.83 2kkl s GLU 107 Cb -0.05 -0.21 -0.06 0.00 -1.78 0.00 0.00 34.13 32.03 2kkl s GLU 107 CO 0.12 -0.16 0.45 -0.06 -0.49 0.00 0.00 175.26 175.11 2kkl s PHE 108 N 1.07 3.49 0.26 1.61 0.08 -1.26 -2.11 117.98 121.12 2kkl s PHE 108 Ca -0.09 0.74 -0.06 0.00 0.12 0.00 0.00 56.93 57.64 2kkl s PHE 108 Cb -0.12 -2.15 -0.01 0.00 -0.57 0.00 0.00 43.02 40.17 2kkl s PHE 108 CO -0.04 0.39 0.37 0.54 -0.10 0.00 0.00 175.22 176.39 2kkl s ASN 109 N -2.23 0.27 -0.07 1.36 2.20 -0.87 -0.94 114.94 114.66 2kkl s ASN 109 Ca 0.41 -1.22 0.04 0.00 -0.94 0.00 0.00 52.86 51.15 2kkl s ASN 109 Cb -0.12 0.55 0.00 0.00 -2.00 0.00 0.00 41.25 39.68 2kkl s ASN 109 CO 0.22 -1.09 -0.18 0.54 -2.94 0.00 0.00 177.10 173.64 2kkl s VAL 110 N -3.80 1.57 -0.05 3.54 0.11 0.95 -2.16 120.40 120.55 2kkl s VAL 110 Ca 0.30 -0.75 0.03 0.00 -2.93 0.00 0.00 61.98 58.63 2kkl s VAL 110 Cb 0.02 -1.37 0.00 0.00 -1.53 0.00 0.00 36.38 33.50 2kkl s VAL 110 CO 0.13 0.45 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.52 2kkl s VAL 111 N 0.35 1.22 -0.37 2.04 1.01 0.47 -1.11 120.40 124.01 2kkl s VAL 111 Ca -0.13 -0.57 -0.22 0.00 0.00 0.00 0.00 61.98 61.06 2kkl s VAL 111 Cb -0.15 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.16 2kkl s VAL 111 CO 0.05 0.36 0.72 -0.62 0.00 0.00 0.00 175.10 175.62 2kkl s ASP 112 N 0.31 6.48 -1.16 3.32 2.15 -0.40 -2.13 116.67 125.23 2kkl s ASP 112 Ca -0.08 0.19 -0.22 0.00 0.43 0.00 0.00 52.55 52.87 2kkl s ASP 112 Cb -0.13 -2.36 -0.06 0.00 -0.30 0.00 0.00 42.92 40.07 2kkl s ASP 112 CO 0.03 -0.70 1.90 0.68 -0.17 0.00 0.00 175.17 176.90 2kkl s VAL 113 N 2.96 3.62 0.00 1.11 -7.23 -1.26 -4.76 120.40 114.84 2kkl s VAL 113 Ca 0.28 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 2kkl s VAL 113 Cb -0.14 -4.60 0.00 0.00 0.56 0.00 0.00 36.38 32.20 2kkl s VAL 113 CO 0.17 -1.16 0.00 0.61 -0.31 0.00 0.00 175.10 174.41 2kkl n GLY 114 N 5.91 -0.30 2.18 2.32 0.00 -1.26 -5.00 105.19 109.04 2kkl n GLY 114 Ca 0.44 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.62 2kkl n GLY 114 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kkl n SER 115 N -0.60 -7.67 -0.29 1.61 7.64 -1.26 -4.82 113.62 108.23 2kkl n SER 115 Ca 0.00 1.56 -0.06 0.00 1.01 0.00 0.00 58.87 61.39 2kkl n SER 115 Cb 0.00 -4.54 0.06 0.00 -1.01 0.00 0.00 64.21 58.72 2kkl n SER 115 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2kkl h LEU 116 N 4.25 1.09 -8.61 -3.43 4.07 -1.98 -3.39 115.31 107.31 2kkl h LEU 116 Ca 0.00 -0.17 -0.63 0.00 0.08 0.00 0.00 57.88 57.16 2kkl h LEU 116 Cb 0.00 -0.28 -0.13 0.00 1.08 0.00 0.00 40.66 41.33 2kkl h LEU 116 CO 0.00 0.96 0.35 0.21 -1.08 0.00 0.00 178.44 178.88 2kkl s ASN 117 N -6.34 6.40 0.00 -0.43 2.47 -1.26 -4.52 114.94 111.26 2kkl s ASN 117 Ca -0.12 -0.16 0.00 0.00 0.42 0.00 0.00 52.86 53.00 2kkl s ASN 117 Cb 0.16 -2.38 0.00 0.00 -1.45 0.00 0.00 41.25 37.57 2kkl s ASN 117 CO 0.84 -0.93 0.00 0.61 -3.72 0.00 0.00 177.10 173.90 2kkl n GLY 118 N 5.00 2.15 3.74 1.21 0.00 -1.26 -5.12 105.19 110.91 2kkl n GLY 118 Ca 0.02 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 2.10 2.74 0.04 2.61 2.01 -1.26 -4.88 115.64 119.00 2kkl s THR 119 Ca 0.00 0.60 0.08 0.00 0.31 0.00 0.00 61.69 62.68 2kkl s THR 119 Cb 0.00 -3.38 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 2kkl s THR 119 CO 0.00 0.08 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.46 2kkl s TYR 120 N 0.25 2.13 0.14 4.92 2.02 -1.19 -3.98 117.35 121.65 2kkl s TYR 120 Ca 0.61 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.94 2kkl s TYR 120 Cb -0.41 -1.28 -0.04 0.00 -0.40 0.00 0.00 41.96 39.83 2kkl s TYR 120 CO 0.40 0.10 0.22 0.54 -1.57 0.00 0.00 175.55 175.25 2kkl s VAL 121 N -0.78 5.04 0.23 0.71 0.11 -1.26 -3.62 120.40 120.82 2kkl s VAL 121 Ca 0.10 -0.79 0.04 0.00 -2.93 0.00 0.00 61.98 58.40 2kkl s VAL 121 Cb -0.10 -3.57 0.29 0.00 -1.53 0.00 0.00 36.38 31.47 2kkl s VAL 121 CO 0.02 -0.07 1.10 -0.46 -3.33 0.00 0.00 175.10 172.36 2kkl n ASN 122 N -0.39 -0.02 0.00 3.54 6.94 -1.26 -3.83 115.26 120.24 2kkl n ASN 122 Ca -0.07 1.19 0.00 0.00 -0.02 0.00 0.00 54.58 55.67 2kkl n ASN 122 Cb 0.54 -0.46 0.00 0.00 -2.36 0.00 0.00 39.78 37.50 2kkl n ASN 122 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2kkl n ARG 123 N -4.88 0.00 -4.00 -3.83 1.74 -1.26 -4.99 116.66 99.44 2kkl n ARG 123 Ca 0.18 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.94 2kkl n ARG 123 Cb 0.61 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 32.00 2kkl n ARG 123 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2kkl s GLU 124 N 0.00 3.22 0.34 5.56 -1.05 -1.25 -5.07 118.70 120.45 2kkl s GLU 124 Ca 0.00 -0.46 -0.29 0.00 -0.15 0.00 0.00 54.97 54.07 2kkl s GLU 124 Cb 0.00 -2.95 -0.11 0.00 -0.44 0.00 0.00 34.13 30.63 2kkl s GLU 124 CO 0.00 0.64 1.54 -0.35 0.95 0.00 0.00 175.26 178.04 2kkl n PRO 125 N 0.82 2.70 -4.01 -4.83 -0.04 -1.26 -4.17 135.00 124.20 2kkl n PRO 125 Ca -0.10 0.95 -0.08 0.00 -0.04 0.00 0.00 63.50 64.23 2kkl n PRO 125 Cb 0.52 -2.71 -0.09 0.00 -0.04 0.00 0.00 33.50 31.18 2kkl n PRO 125 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2kkl s VAL 126 N -0.59 0.16 -0.23 0.52 -7.23 -1.26 -4.96 120.40 106.82 2kkl s VAL 126 Ca 0.58 -1.57 0.28 0.00 -1.81 0.00 0.00 61.98 59.47 2kkl s VAL 126 Cb -0.48 -1.56 0.34 0.00 0.56 0.00 0.00 36.38 35.24 2kkl s VAL 126 CO 0.57 -0.74 1.82 0.44 -0.31 0.00 0.00 175.10 176.88 2kkl h ASP 127 N 2.92 0.00 -5.02 4.85 3.32 -1.83 -3.42 116.42 117.24 2kkl h ASP 127 Ca -0.34 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.68 2kkl h ASP 127 Cb 1.18 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.60 2kkl h ASP 127 CO 0.60 0.00 0.13 -0.94 -1.72 0.00 0.00 179.24 177.31 2kkl s SER 128 N -5.39 -0.48 0.06 6.45 1.04 -1.26 -1.27 113.70 112.84 2kkl s SER 128 Ca 0.04 -0.04 -0.22 0.00 0.48 0.00 0.00 55.95 56.21 2kkl s SER 128 Cb 0.08 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.82 2kkl s SER 128 CO 0.55 -0.91 0.53 0.00 0.98 0.00 0.00 173.24 174.39 2kkl s ALA 129 N -3.57 -1.35 -0.21 5.32 0.00 -0.27 -4.99 121.76 116.70 2kkl s ALA 129 Ca 0.01 0.58 -0.10 0.00 0.00 0.00 0.00 51.96 52.45 2kkl s ALA 129 Cb -0.00 0.43 -0.05 0.00 0.00 0.00 0.00 23.12 23.50 2kkl s ALA 129 CO -0.11 -0.53 0.15 0.08 0.00 0.00 0.00 175.76 175.35 2kkl s VAL 130 N -2.58 5.39 0.31 0.00 1.01 -1.26 -0.04 120.40 123.23 2kkl s VAL 130 Ca -0.05 0.22 -0.27 0.00 0.00 0.00 0.00 61.98 61.89 2kkl s VAL 130 Cb -0.01 -3.49 -0.10 0.00 0.00 0.00 0.00 36.38 32.79 2kkl s VAL 130 CO -0.03 0.41 0.96 -0.76 0.00 0.00 0.00 175.10 175.69 2kkl s LEU 131 N 0.53 4.41 -0.02 3.92 1.43 -0.11 -4.95 118.68 123.88 2kkl s LEU 131 Ca 0.09 1.91 -0.20 0.00 -1.03 0.00 0.00 54.13 54.89 2kkl s LEU 131 Cb -0.12 -3.91 0.04 0.00 0.03 0.00 0.00 46.19 42.23 2kkl s LEU 131 CO -0.00 -0.05 0.44 0.00 0.23 0.00 0.00 176.35 176.96 2kkl s ALA 132 N -1.49 -1.12 -0.36 4.21 0.00 -1.26 -4.53 121.76 117.21 2kkl s ALA 132 Ca 0.48 0.65 -0.45 0.00 0.00 0.00 0.00 51.96 52.64 2kkl s ALA 132 Cb -0.21 0.07 -0.20 0.00 0.00 0.00 0.00 23.12 22.78 2kkl s ALA 132 CO 0.27 -0.31 1.44 0.27 0.00 0.00 0.00 175.76 177.43 2kkl n ASN 133 N 1.09 0.86 0.00 0.00 6.94 -1.26 0.57 115.26 123.46 2kkl n ASN 133 Ca -0.21 1.18 0.00 0.00 -0.02 0.00 0.00 54.58 55.53 2kkl n ASN 133 Cb 0.57 -0.89 0.00 0.00 -2.36 0.00 0.00 39.78 37.10 2kkl n ASN 133 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kkl n GLY 134 N 3.27 0.64 3.84 4.83 0.00 -1.03 -5.02 105.19 111.72 2kkl n GLY 134 Ca 0.28 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.21 6.81 -0.03 1.61 1.11 0.19 -4.92 116.67 119.24 2kkl s ASP 135 Ca 0.00 1.29 0.03 0.00 0.18 0.00 0.00 52.55 54.05 2kkl s ASP 135 Cb 0.00 -2.38 -0.03 0.00 1.07 0.00 0.00 42.92 41.58 2kkl s ASP 135 CO 0.00 -0.17 -0.11 -0.70 1.18 0.00 0.00 175.17 175.38 2kkl s GLU 136 N -2.83 2.52 -0.07 8.23 2.12 -1.26 0.38 118.70 127.80 2kkl s GLU 136 Ca 0.52 -0.70 0.05 0.00 0.36 0.00 0.00 54.97 55.20 2kkl s GLU 136 Cb -0.11 -2.44 -0.01 0.00 0.26 0.00 0.00 34.13 31.83 2kkl s GLU 136 CO 0.18 0.62 -0.22 0.08 -0.54 0.00 0.00 175.26 175.37 2kkl s VAL 137 N -0.86 1.87 -0.20 3.70 1.01 0.70 -4.38 120.40 122.25 2kkl s VAL 137 Ca 0.14 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 2kkl s VAL 137 Cb -0.11 -1.60 0.05 0.00 0.00 0.00 0.00 36.38 34.72 2kkl s VAL 137 CO 0.04 0.52 -0.04 -1.58 0.00 0.00 0.00 175.10 174.04 2kkl s GLN 138 N 0.05 1.42 -0.06 2.72 0.74 -1.24 -1.04 119.66 122.25 2kkl s GLN 138 Ca -0.08 -0.68 0.01 0.00 0.05 0.00 0.00 55.36 54.66 2kkl s GLN 138 Cb -0.14 -2.25 0.02 0.00 1.10 0.00 0.00 33.01 31.74 2kkl s GLN 138 CO 0.05 -0.52 -0.08 0.42 -0.55 0.00 0.00 175.29 174.60 2kkl s ILE 139 N 1.57 0.88 0.00 -2.34 1.01 -1.12 -3.18 121.20 118.02 2kkl s ILE 139 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.32 2kkl s ILE 139 Cb -0.17 -0.84 0.00 0.00 0.01 0.00 0.00 42.46 41.46 2kkl s ILE 139 CO -0.07 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.78 2kkl n GLY 140 N 4.05 3.08 0.02 6.18 0.00 -1.26 -2.10 105.19 115.15 2kkl n GLY 140 Ca -0.22 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 45.71 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 14.00 0.23 -3.20 1.61 4.81 -1.26 -4.87 118.16 129.47 2kkl n LYS 141 Ca 0.00 -0.02 -0.39 0.00 -0.87 0.00 0.00 58.31 57.03 2kkl n LYS 141 Cb 0.00 -1.56 -0.05 0.00 0.02 0.00 0.00 35.03 33.44 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 -3.16 3.55 -0.13 5.64 0.08 -0.89 -4.91 117.98 118.17 2kkl s PHE 142 Ca 0.04 1.06 -0.04 0.00 0.12 0.00 0.00 56.93 58.11 2kkl s PHE 142 Cb 0.15 -2.65 -0.03 0.00 -0.57 0.00 0.00 43.02 39.91 2kkl s PHE 142 CO 0.82 0.16 0.02 1.03 -0.10 0.00 0.00 175.22 177.14 2kkl s ARG 143 N 0.60 3.40 0.07 0.44 0.52 -1.22 -2.79 118.95 119.97 2kkl s ARG 143 Ca 0.31 -0.39 0.06 0.00 -0.52 0.00 0.00 55.73 55.18 2kkl s ARG 143 Cb -0.16 -2.95 -0.03 0.00 0.52 0.00 0.00 34.95 32.33 2kkl s ARG 143 CO 0.14 0.51 -0.15 -0.51 0.02 0.00 0.00 175.30 175.31 2kkl s LEU 144 N -0.35 2.26 -0.09 2.53 1.02 -0.21 -0.37 118.68 123.48 2kkl s LEU 144 Ca 0.07 -0.60 0.04 0.00 0.02 0.00 0.00 54.13 53.66 2kkl s LEU 144 Cb -0.12 -0.59 -0.01 0.00 0.02 0.00 0.00 46.19 45.49 2kkl s LEU 144 CO 0.02 -0.04 -0.21 0.54 0.02 0.00 0.00 176.35 176.68 2kkl s VAL 145 N -1.19 2.34 -0.40 -1.59 0.11 -0.74 -0.22 120.40 118.71 2kkl s VAL 145 Ca -0.00 -0.94 -0.18 0.00 -2.93 0.00 0.00 61.98 57.93 2kkl s VAL 145 Cb -0.10 -1.91 0.01 0.00 -1.53 0.00 0.00 36.38 32.86 2kkl s VAL 145 CO 0.02 0.56 0.51 0.12 -3.33 0.00 0.00 175.10 172.98 2kkl s PHE 146 N 0.13 3.15 0.03 1.54 2.19 0.16 -2.64 117.98 122.53 2kkl s PHE 146 Ca -0.11 -0.09 0.01 0.00 0.33 0.00 0.00 56.93 57.07 2kkl s PHE 146 Cb -0.16 -3.01 -0.02 0.00 -1.31 0.00 0.00 43.02 38.52 2kkl s PHE 146 CO 0.06 -0.68 -0.05 -0.51 1.83 0.00 0.00 175.22 175.87 2kkl s LEU 147 N 2.39 2.26 0.00 6.12 1.43 -1.10 -1.96 118.68 127.82 2kkl s LEU 147 Ca 0.17 -0.55 -0.00 0.00 -1.03 0.00 0.00 54.13 52.72 2kkl s LEU 147 Cb -0.16 -0.02 0.00 0.00 0.03 0.00 0.00 46.19 46.05 2kkl s LEU 147 CO 0.15 -0.27 0.01 0.35 0.23 0.00 0.00 176.35 176.82 2kkl n THR 148 N 1.46 0.00 -1.49 5.49 -2.24 -1.26 -2.33 114.28 113.90 2kkl n THR 148 Ca -0.23 -0.01 -0.23 0.00 -2.27 0.00 0.00 64.05 61.31 2kkl n THR 148 Cb 0.55 -1.59 -0.22 0.00 -2.10 0.00 0.00 70.33 66.97 2kkl n THR 148 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kkl n GLY 149 N 4.92 -0.50 0.05 3.38 0.00 -1.26 -4.60 105.19 107.19 2kkl n GLY 149 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.10 2kkl n GLY 149 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kkl n HIS 150 N 5.76 0.12 -2.51 1.61 -0.00 -1.26 -4.18 115.22 114.75 2kkl n HIS 150 Ca 0.68 0.06 -0.41 0.00 -0.00 0.00 0.00 57.72 58.05 2kkl n HIS 150 Cb 0.13 -0.34 -0.03 0.00 -0.00 0.00 0.00 29.99 29.75 2kkl n HIS 150 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 2kkl s LYS 151 N -2.74 3.22 -0.09 -0.41 2.47 -1.26 -4.99 119.74 115.94 2kkl s LYS 151 Ca -0.00 -0.04 -0.03 0.00 -1.56 0.00 0.00 55.97 54.33 2kkl s LYS 151 Cb 0.01 -4.16 -0.03 0.00 -1.46 0.00 0.00 37.83 32.18 2kkl s LYS 151 CO 0.03 -2.09 0.04 1.14 0.16 0.00 0.00 175.35 174.63 2kkl s GLN 152 N 5.67 3.10 0.00 4.03 -2.07 -1.26 -4.90 119.66 124.24 2kkl s GLN 152 Ca 0.40 -0.34 0.00 0.00 -1.82 0.00 0.00 55.36 53.60 2kkl s GLN 152 Cb -0.08 -2.89 0.00 0.00 -1.09 0.00 0.00 33.01 28.94 2kkl s GLN 152 CO 0.18 0.72 0.00 0.41 -1.32 0.00 0.00 175.29 175.28 2kkl n GLY 153 N 2.11 0.00 2.44 2.60 0.00 -1.26 -5.04 105.19 106.04 2kkl n GLY 153 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 2kkl n GLY 153 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kkl n GLU 154 N 0.00 2.42 -3.77 1.61 4.07 -1.26 -5.08 120.64 118.64 2kkl n GLU 154 Ca 0.00 -3.73 0.01 0.00 -0.06 0.00 0.00 57.16 53.38 2kkl n GLU 154 Cb 0.00 -1.83 0.00 0.00 -0.06 0.00 0.00 31.44 29.55 2kkl n GLU 154 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2kkl s ASP 155 N -3.67 -0.04 0.50 4.31 2.15 -1.26 -5.15 116.67 113.51 2kkl s ASP 155 Ca 0.37 -0.26 -0.21 0.00 0.43 0.00 0.00 52.55 52.88 2kkl s ASP 155 Cb 0.36 0.24 -0.07 0.00 -0.30 0.00 0.00 42.92 43.15 2kkl s ASP 155 CO -0.01 -0.46 1.14 -0.76 -0.17 0.00 0.00 175.17 174.91 2kkl s LEU 156 N -3.26 3.88 0.51 -1.34 1.43 -1.26 -4.97 118.68 113.67 2kkl s LEU 156 Ca 0.19 2.23 -0.23 0.00 -1.03 0.00 0.00 54.13 55.29 2kkl s LEU 156 Cb 0.02 -4.42 -0.06 0.00 0.03 0.00 0.00 46.19 41.76 2kkl s LEU 156 CO -0.01 -1.05 1.37 -1.61 0.23 0.00 0.00 176.35 175.28 2kkl s GLU 157 N -2.99 3.36 0.63 1.70 2.02 -1.26 -5.01 118.70 117.14 2kkl s GLU 157 Ca 0.68 2.27 -0.03 0.00 0.02 0.00 0.00 54.97 57.91 2kkl s GLU 157 Cb -0.26 -2.40 0.04 0.00 0.10 0.00 0.00 34.13 31.61 2kkl s GLU 157 CO 0.30 -1.02 0.90 -3.38 0.02 0.00 0.00 175.26 172.08 2kkl s HIS 158 N -1.28 2.93 0.39 1.61 -3.43 -1.26 -5.04 115.29 109.21 2kkl s HIS 158 Ca 0.67 0.27 -0.26 0.00 -0.80 0.00 0.00 55.06 54.94 2kkl s HIS 158 Cb -0.41 -2.95 -0.09 0.00 -1.43 0.00 0.00 32.58 27.70 2kkl s HIS 158 CO 0.50 -1.11 1.24 -3.38 -2.00 0.00 0.00 174.74 169.99 2kkl s HIS 159 N -3.01 2.96 0.40 0.38 -3.43 -1.26 -4.99 115.29 106.34 2kkl s HIS 159 Ca 0.58 1.48 -0.24 0.00 -0.80 0.00 0.00 55.06 56.08 2kkl s HIS 159 Cb -0.11 -3.54 -0.09 0.00 -1.43 0.00 0.00 32.58 27.41 2kkl s HIS 159 CO 0.42 -1.71 1.04 -1.01 -2.00 0.00 0.00 174.74 171.48 2kkl s HIS 160 N -1.31 3.29 -0.06 0.38 3.76 -1.26 -5.06 115.29 115.03 2kkl s HIS 160 Ca 0.56 1.65 -0.06 0.00 -0.15 0.00 0.00 55.06 57.06 2kkl s HIS 160 Cb -0.35 -3.10 0.02 0.00 1.11 0.00 0.00 32.58 30.26 2kkl s HIS 160 CO 0.45 -0.55 0.17 -1.58 -0.85 0.00 0.00 174.74 172.37 2kkl s HIS 161 N -1.69 -0.18 -0.03 1.40 2.46 -1.26 -5.14 115.29 110.85 2kkl s HIS 161 Ca 0.58 0.44 -0.27 0.00 0.47 0.00 0.00 55.06 56.27 2kkl s HIS 161 Cb -0.21 0.06 -0.03 0.00 -0.13 0.00 0.00 32.58 32.27 2kkl s HIS 161 CO 0.26 -0.09 0.88 -1.58 -2.47 0.00 0.00 174.74 171.74 2kkl s HIS 162 N 0.07 3.62 -2.00 3.88 2.46 -1.26 -5.31 115.29 116.75 2kkl s HIS 162 Ca -0.00 1.52 0.18 0.00 0.47 0.00 0.00 55.06 57.23 2kkl s HIS 162 Cb -0.01 -3.01 1.06 0.00 -0.13 0.00 0.00 32.58 30.49 2kkl s HIS 162 CO 0.00 0.01 1.46 0.72 -2.47 0.00 0.00 174.74 174.46