#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 3.21 0.00 6.34 5.36 -1.26 -4.81 117.98 126.83 2kkl s PHE 25 Ca 0.00 1.02 0.00 0.00 -0.96 0.00 0.00 56.93 56.99 2kkl s PHE 25 Cb 0.00 -3.61 0.00 0.00 -0.34 0.00 0.00 43.02 39.07 2kkl s PHE 25 CO 0.00 -2.10 0.00 0.54 -1.46 0.00 0.00 175.22 172.20 2kkl n ARG 26 N 4.24 0.00 0.00 10.12 1.74 -1.26 -5.12 116.66 126.38 2kkl n ARG 26 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 2kkl n ARG 26 Cb 0.44 -0.15 0.00 0.00 -1.02 0.00 0.00 32.46 31.72 2kkl n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kkl n ALA 27 N 0.00 0.00 -2.91 7.54 0.00 -1.26 -4.20 120.51 119.67 2kkl n ALA 27 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2kkl n ALA 27 Cb 0.10 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.57 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 0.51 -1.47 0.00 0.00 -0.08 -1.26 -4.89 116.55 109.36 2kkl n ASP 28 Ca 0.00 -3.23 0.00 0.00 -1.51 0.00 0.00 54.79 50.05 2kkl n ASP 28 Cb 0.00 0.91 0.00 0.00 2.34 0.00 0.00 41.12 44.37 2kkl n ASP 28 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 2kkl n PHE 29 N 1.04 0.00 -0.03 -0.67 1.16 -1.26 -4.95 117.46 112.75 2kkl n PHE 29 Ca 0.13 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.65 2kkl n PHE 29 Cb 0.63 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.37 2kkl n PHE 29 CO 0.00 0.00 0.00 1.47 -1.87 0.00 0.00 176.76 176.36 2kkl n LEU 30 N -0.17 0.65 -4.42 5.98 -0.00 -1.26 -4.72 117.00 113.07 2kkl n LEU 30 Ca 0.00 0.30 -0.44 0.00 -0.00 0.00 0.00 56.01 55.88 2kkl n LEU 30 Cb 0.00 0.22 -0.04 0.00 -0.00 0.00 0.00 43.42 43.60 2kkl n LEU 30 CO 0.00 0.36 0.61 -0.55 -0.00 0.00 0.00 177.39 177.80 2kkl s SER 31 N -5.85 6.19 -0.73 1.45 0.15 -1.26 -4.99 113.70 108.66 2kkl s SER 31 Ca -0.06 -1.22 -0.22 0.00 0.70 0.00 0.00 55.95 55.15 2kkl s SER 31 Cb 0.08 -2.37 0.08 0.00 -1.71 0.00 0.00 66.02 62.10 2kkl s SER 31 CO 0.83 -1.29 1.02 -1.61 1.20 0.00 0.00 173.24 173.39 2kkl s GLU 32 N 3.41 3.22 0.22 5.44 2.02 -1.26 -4.99 118.70 126.76 2kkl s GLU 32 Ca 0.18 -1.00 -0.04 0.00 0.02 0.00 0.00 54.97 54.13 2kkl s GLU 32 Cb -0.20 -4.40 0.05 0.00 0.10 0.00 0.00 34.13 29.69 2kkl s GLU 32 CO 0.08 -1.84 0.21 1.28 0.02 0.00 0.00 175.26 175.02 2kkl n LEU 33 N 7.60 0.00 -4.77 1.80 4.32 -1.26 -4.95 117.00 119.73 2kkl n LEU 33 Ca 0.03 -0.23 -0.41 0.00 -0.02 0.00 0.00 56.01 55.38 2kkl n LEU 33 Cb 0.46 -0.19 -0.01 0.00 -1.62 0.00 0.00 43.42 42.07 2kkl n LEU 33 CO 0.62 -1.10 1.07 -1.81 -1.22 0.00 0.00 177.39 174.95 2kkl s ASP 34 N -2.02 6.43 -0.45 -1.43 1.01 -1.26 -4.95 116.67 113.99 2kkl s ASP 34 Ca 0.13 2.90 0.07 0.00 0.71 0.00 0.00 52.55 56.36 2kkl s ASP 34 Cb -0.01 -2.66 0.32 0.00 1.01 0.00 0.00 42.92 41.58 2kkl s ASP 34 CO 0.10 -0.80 1.06 0.00 0.21 0.00 0.00 175.17 175.74 2kkl n ALA 35 N 0.48 -0.50 -1.47 5.23 0.00 -1.26 -5.15 120.51 117.84 2kkl n ALA 35 Ca 0.01 -1.68 -0.33 0.00 0.00 0.00 0.00 53.44 51.44 2kkl n ALA 35 Cb 0.41 -1.14 0.05 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.01 2.70 0.40 0.00 0.04 -1.26 -4.97 135.00 131.90 2kkl s PRO 36 Ca 0.25 1.36 -0.27 0.00 0.04 0.00 0.00 61.00 62.37 2kkl s PRO 36 Cb 0.29 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.80 2kkl s PRO 36 CO -0.06 -1.32 1.41 0.00 0.04 0.00 0.00 177.00 177.07 2kkl s ALA 37 N -2.43 3.40 0.15 8.56 0.00 -1.26 -5.00 121.76 125.18 2kkl s ALA 37 Ca 0.66 1.44 0.01 0.00 0.00 0.00 0.00 51.96 54.07 2kkl s ALA 37 Cb -0.20 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 2kkl s ALA 37 CO 0.44 -1.01 0.30 -1.14 0.00 0.00 0.00 175.76 174.36 2kkl s GLN 38 N -2.20 3.46 0.00 0.00 0.74 -1.26 -4.97 119.66 115.43 2kkl s GLN 38 Ca 0.56 -0.52 0.00 0.00 0.05 0.00 0.00 55.36 55.45 2kkl s GLN 38 Cb -0.43 -2.94 0.00 0.00 1.10 0.00 0.00 33.01 30.74 2kkl s GLN 38 CO 0.57 0.50 0.30 0.00 -0.55 0.00 0.00 175.29 176.11 2kkl n ALA 39 N -0.50 1.32 0.00 1.58 0.00 -1.26 -5.15 120.51 116.49 2kkl n ALA 39 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2kkl n ALA 39 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.41 3.70 0.00 0.00 -1.26 -4.84 105.19 100.38 2kkl n GLY 40 Ca 0.00 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.96 5.04 0.00 2.61 2.01 -1.26 -4.78 115.64 118.30 2kkl s THR 41 Ca 0.00 1.35 0.00 0.00 0.31 0.00 0.00 61.69 63.35 2kkl s THR 41 Cb 0.00 -4.00 0.00 0.00 0.01 0.00 0.00 72.50 68.51 2kkl s THR 41 CO 0.00 0.20 0.00 1.21 -0.69 0.00 0.00 174.62 175.34 2kkl n GLU 42 N 4.26 0.00 0.00 4.92 2.13 -1.26 -5.13 120.64 125.56 2kkl n GLU 42 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 2kkl n GLU 42 Cb 0.51 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.22 2kkl n GLU 42 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2kkl n SER 43 N -0.17 0.00 -2.68 4.31 3.41 -1.26 -4.38 113.62 112.85 2kkl n SER 43 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 2kkl n SER 43 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 2kkl n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kkl n ALA 44 N 7.94 -0.82 1.13 7.33 0.00 -1.26 -4.96 120.51 129.87 2kkl n ALA 44 Ca 0.00 -0.80 0.12 0.00 0.00 0.00 0.00 53.44 52.76 2kkl n ALA 44 Cb 0.00 -1.02 0.30 0.00 0.00 0.00 0.00 19.45 18.73 2kkl n ALA 44 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2kkl n VAL 45 N -0.54 0.00 -2.24 0.00 0.24 -1.26 -4.90 118.33 109.62 2kkl n VAL 45 Ca -0.17 -0.07 -0.40 0.00 -2.04 0.00 0.00 64.34 61.65 2kkl n VAL 45 Cb 0.73 0.38 -0.03 0.00 -1.47 0.00 0.00 33.84 33.45 2kkl n VAL 45 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2kkl s SER 46 N -2.72 6.89 0.23 -1.34 0.01 -1.26 -4.80 113.70 110.71 2kkl s SER 46 Ca 0.18 2.53 0.00 0.00 1.31 0.00 0.00 55.95 59.97 2kkl s SER 46 Cb 0.18 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.77 2kkl s SER 46 CO 0.61 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 174.43 2kkl n GLY 47 N 0.90 -1.98 0.50 3.44 0.00 -1.26 -4.28 105.19 102.52 2kkl n GLY 47 Ca 0.00 -1.30 0.12 0.00 0.00 0.00 0.00 46.02 44.83 2kkl n GLY 47 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2kkl n VAL 48 N -3.15 0.13 -1.10 1.61 3.14 -1.26 -4.96 118.33 112.74 2kkl n VAL 48 Ca -0.01 -0.30 -0.37 0.00 -2.96 0.00 0.00 64.34 60.70 2kkl n VAL 48 Cb 0.37 0.38 0.02 0.00 -1.06 0.00 0.00 33.84 33.55 2kkl n VAL 48 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2kkl n GLU 49 N 0.22 0.00 -0.96 1.45 -0.58 -1.26 -4.42 120.64 115.09 2kkl n GLU 49 Ca 0.17 0.00 -0.44 0.00 -0.42 0.00 0.00 57.16 56.47 2kkl n GLU 49 Cb 0.33 -0.98 -0.09 0.00 -0.57 0.00 0.00 31.44 30.12 2kkl n GLU 49 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kkl n GLY 50 N 2.94 -0.13 3.91 0.62 0.00 -1.26 -4.90 105.19 106.37 2kkl n GLY 50 Ca 0.03 0.85 -0.23 0.00 0.00 0.00 0.00 46.02 46.67 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 4.71 4.13 0.89 0.99 0.05 -1.26 -5.07 118.68 123.12 2kkl s LEU 51 Ca 0.92 -0.02 -0.12 0.00 0.05 0.00 0.00 54.13 54.96 2kkl s LEU 51 Cb -1.12 -2.68 0.12 0.00 -2.05 0.00 0.00 46.19 40.46 2kkl s LEU 51 CO 0.49 -0.02 1.11 -2.16 -0.55 0.00 0.00 176.35 175.22 2kkl s PRO 52 N -3.67 1.34 0.59 1.48 0.04 -1.26 -4.98 135.00 128.54 2kkl s PRO 52 Ca 0.33 0.51 -0.20 0.00 0.04 0.00 0.00 61.00 61.68 2kkl s PRO 52 Cb -0.09 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2kkl s PRO 52 CO 0.27 -2.11 1.26 -2.30 0.04 0.00 0.00 177.00 174.17 2kkl n PRO 53 N -3.74 1.33 -0.60 0.56 -0.02 -1.26 -3.33 135.00 127.95 2kkl n PRO 53 Ca 0.07 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2kkl n PRO 53 Cb 0.57 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 0.92 0.66 3.39 -1.23 0.00 -1.26 -5.05 105.19 102.61 2kkl n GLY 54 Ca 0.13 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 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 2.70 0.04 0.99 2.01 -1.21 -4.86 118.68 118.35 2kkl s LEU 55 Ca 0.00 -0.31 -0.05 0.00 0.01 0.00 0.00 54.13 53.78 2kkl s LEU 55 Cb 0.00 -1.60 -0.01 0.00 0.01 0.00 0.00 46.19 44.59 2kkl s LEU 55 CO 0.00 0.20 0.08 0.00 1.01 0.00 0.00 176.35 177.63 2kkl s ALA 56 N 0.16 0.00 0.11 4.21 0.00 -1.26 -4.53 121.76 120.46 2kkl s ALA 56 Ca -0.07 -0.62 0.06 0.00 0.00 0.00 0.00 51.96 51.33 2kkl s ALA 56 Cb -0.15 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 2kkl s ALA 56 CO 0.05 -0.31 -0.15 -0.51 0.00 0.00 0.00 175.76 174.84 2kkl s LEU 57 N -2.16 2.37 -0.15 0.00 1.02 -1.04 -2.02 118.68 116.70 2kkl s LEU 57 Ca -0.05 -0.76 -0.01 0.00 0.02 0.00 0.00 54.13 53.34 2kkl s LEU 57 Cb -0.01 -0.56 -0.01 0.00 0.02 0.00 0.00 46.19 45.63 2kkl s LEU 57 CO -0.05 -0.12 -0.12 -0.76 0.02 0.00 0.00 176.35 175.32 2kkl s LEU 58 N -2.25 2.68 -0.07 1.79 1.43 -1.07 -2.80 118.68 118.39 2kkl s LEU 58 Ca 0.06 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 52.84 2kkl s LEU 58 Cb -0.06 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.53 2kkl s LEU 58 CO 0.03 0.11 -0.24 -0.69 0.23 0.00 0.00 176.35 175.79 2kkl s VAL 59 N 0.66 2.13 0.08 -1.59 1.01 -1.10 -2.04 120.40 119.55 2kkl s VAL 59 Ca -0.06 -1.03 -0.31 0.00 0.00 0.00 0.00 61.98 60.58 2kkl s VAL 59 Cb -0.15 -1.79 -0.07 0.00 0.00 0.00 0.00 36.38 34.37 2kkl s VAL 59 CO 0.02 0.57 1.34 -0.69 0.00 0.00 0.00 175.10 176.34 2kkl s VAL 60 N -0.05 3.58 -0.06 2.92 1.01 -1.09 -1.27 120.40 125.45 2kkl s VAL 60 Ca -0.07 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.02 2kkl s VAL 60 Cb -0.15 -3.71 -0.26 0.00 0.00 0.00 0.00 36.38 32.27 2kkl s VAL 60 CO 0.05 0.07 0.61 0.50 0.00 0.00 0.00 175.10 176.32 2kkl h LYS 61 N 7.02 0.18 -2.77 2.72 3.64 -1.54 -3.32 116.57 122.50 2kkl h LYS 61 Ca -0.41 -0.30 -0.14 0.00 -1.27 0.00 0.00 60.65 58.53 2kkl h LYS 61 Cb 1.20 0.11 -0.27 0.00 -0.41 0.00 0.00 32.23 32.87 2kkl h LYS 61 CO 0.86 0.96 -0.33 0.50 -2.27 0.00 0.00 179.45 179.16 2kkl s ARG 62 N -2.59 0.36 0.00 1.90 3.52 -1.25 -4.95 118.95 115.94 2kkl s ARG 62 Ca -0.13 0.67 0.00 0.00 -0.13 0.00 0.00 55.73 56.14 2kkl s ARG 62 Cb 0.07 0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.47 2kkl s ARG 62 CO 0.81 -0.13 0.00 0.41 -0.81 0.00 0.00 175.30 175.58 2kkl n GLY 63 N 3.91 3.20 0.36 8.12 0.00 -1.26 -3.91 105.19 115.61 2kkl n GLY 63 Ca -0.21 -1.67 0.12 0.00 0.00 0.00 0.00 46.02 44.26 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 0.76 -1.06 1.61 0.11 -2.00 0.12 132.00 131.54 2kkl h PRO 64 Ca 0.00 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 2kkl h PRO 64 Cb 0.00 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 30.91 2kkl h PRO 64 CO 0.00 0.50 0.06 0.09 -0.21 0.00 0.00 178.00 178.44 2kkl n ASN 65 N -4.70 3.23 -4.74 -2.05 5.03 -1.26 -4.90 115.26 105.86 2kkl n ASN 65 Ca 0.22 -2.17 -0.42 0.00 0.87 0.00 0.00 54.58 53.08 2kkl n ASN 65 Cb 0.53 -0.57 -0.02 0.00 -1.02 0.00 0.00 39.78 38.71 2kkl n ASN 65 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kkl s ALA 66 N -0.30 3.70 0.00 5.41 0.00 0.41 -1.34 121.76 129.64 2kkl s ALA 66 Ca 0.05 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.45 2kkl s ALA 66 Cb 0.04 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2kkl s ALA 66 CO 0.01 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.33 2kkl n GLY 67 N 2.44 2.50 3.76 0.00 0.00 -1.25 -5.01 105.19 107.63 2kkl n GLY 67 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.89 6.02 0.03 1.61 0.15 -0.45 -4.86 113.70 114.31 2kkl s SER 68 Ca 0.00 2.59 0.02 0.00 0.70 0.00 0.00 55.95 59.26 2kkl s SER 68 Cb 0.00 -2.63 -0.02 0.00 -1.71 0.00 0.00 66.02 61.66 2kkl s SER 68 CO 0.00 -1.04 -0.06 0.00 1.20 0.00 0.00 173.24 173.34 2kkl s ARG 69 N -2.52 0.46 0.12 5.44 1.70 -1.26 -2.67 118.95 120.22 2kkl s ARG 69 Ca 0.62 -0.66 0.06 0.00 -0.47 0.00 0.00 55.73 55.28 2kkl s ARG 69 Cb -0.36 -0.22 -0.04 0.00 -0.57 0.00 0.00 34.95 33.77 2kkl s ARG 69 CO 0.45 0.03 -0.15 -0.06 -1.08 0.00 0.00 175.30 174.49 2kkl s PHE 70 N -1.25 1.45 -0.01 5.89 0.08 -0.87 -4.95 117.98 118.31 2kkl s PHE 70 Ca -0.10 -0.52 0.02 0.00 0.12 0.00 0.00 56.93 56.46 2kkl s PHE 70 Cb -0.09 -0.76 -0.03 0.00 -0.57 0.00 0.00 43.02 41.56 2kkl s PHE 70 CO 0.00 0.15 -0.05 -1.17 -0.10 0.00 0.00 175.22 174.05 2kkl s LEU 71 N -2.31 3.25 -0.77 -0.37 2.96 -1.26 -2.60 118.68 117.57 2kkl s LEU 71 Ca 0.07 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 53.92 2kkl s LEU 71 Cb -0.06 -1.83 0.20 0.00 0.50 0.00 0.00 46.19 44.99 2kkl s LEU 71 CO 0.03 0.30 0.63 0.18 -1.32 0.00 0.00 176.35 176.17 2kkl n LEU 72 N 1.64 3.55 -2.22 -0.68 4.77 -0.85 -4.80 117.00 118.41 2kkl n LEU 72 Ca -0.16 -5.21 -0.30 0.00 -0.03 0.00 0.00 56.01 50.31 2kkl n LEU 72 Cb 0.53 -0.87 0.05 0.00 -2.33 0.00 0.00 43.42 40.79 2kkl n LEU 72 CO 0.31 1.72 0.80 -0.67 -1.33 0.00 0.00 177.39 178.22 2kkl n ASP 73 N 1.95 6.26 -4.07 -1.43 -0.08 -1.26 -4.27 116.55 113.65 2kkl n ASP 73 Ca 0.22 -3.77 -0.13 0.00 -1.51 0.00 0.00 54.79 49.60 2kkl n ASP 73 Cb 0.36 -0.66 -0.11 0.00 2.34 0.00 0.00 41.12 43.05 2kkl n ASP 73 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2kkl s GLN 74 N -3.72 0.54 0.11 -0.67 -0.21 -1.26 -5.05 119.66 109.39 2kkl s GLN 74 Ca 0.57 -0.78 -0.21 0.00 0.02 0.00 0.00 55.36 54.96 2kkl s GLN 74 Cb 0.45 -0.30 -0.10 0.00 1.00 0.00 0.00 33.01 34.07 2kkl s GLN 74 CO -0.02 0.05 1.76 0.00 -2.12 0.00 0.00 175.29 174.96 2kkl h ALA 75 N 4.44 0.15 -3.35 6.09 0.00 -1.95 -3.42 119.26 121.23 2kkl h ALA 75 Ca -0.36 -0.01 -0.54 0.00 0.00 0.00 0.00 54.91 54.00 2kkl h ALA 75 Cb 1.20 -0.05 -0.34 0.00 0.00 0.00 0.00 17.79 18.60 2kkl h ALA 75 CO 0.41 -0.36 -0.82 0.42 0.00 0.00 0.00 179.25 178.90 2kkl s ILE 76 N -6.16 1.25 -0.12 0.00 1.01 -1.26 -1.25 121.20 114.66 2kkl s ILE 76 Ca -0.13 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.02 2kkl s ILE 76 Cb 0.07 -1.15 0.01 0.00 0.01 0.00 0.00 42.46 41.40 2kkl s ILE 76 CO 0.68 0.39 -0.18 -0.89 0.00 0.00 0.00 174.94 174.93 2kkl s THR 77 N 0.87 1.76 0.43 2.92 2.01 -0.87 -5.00 115.64 117.76 2kkl s THR 77 Ca -0.10 -0.80 0.05 0.00 0.31 0.00 0.00 61.69 61.15 2kkl s THR 77 Cb -0.15 -1.58 0.01 0.00 0.01 0.00 0.00 72.50 70.79 2kkl s THR 77 CO 0.01 0.49 0.60 -0.55 -0.69 0.00 0.00 174.62 174.49 2kkl s SER 78 N 0.93 5.67 0.49 3.53 0.15 -1.26 -0.70 113.70 122.51 2kkl s SER 78 Ca -0.06 -0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.42 2kkl s SER 78 Cb -0.15 -0.95 0.02 0.00 -1.71 0.00 0.00 66.02 63.22 2kkl s SER 78 CO -0.02 -0.76 0.14 0.00 1.20 0.00 0.00 173.24 173.80 2kkl n ALA 79 N -1.94 0.54 -0.78 5.45 0.00 -0.50 -4.34 120.51 118.94 2kkl n ALA 79 Ca 0.05 -2.09 0.00 0.00 0.00 0.00 0.00 53.44 51.40 2kkl n ALA 79 Cb 0.59 1.04 0.00 0.00 0.00 0.00 0.00 19.45 21.08 2kkl n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kkl n GLY 80 N -0.81 2.68 3.73 0.00 0.00 -1.26 -4.03 105.19 105.50 2kkl n GLY 80 Ca -0.13 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 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 4.52 0.00 1.61 1.81 0.19 -3.13 118.95 123.95 2kkl s ARG 81 Ca 0.00 1.76 0.00 0.00 -1.72 0.00 0.00 55.73 55.77 2kkl s ARG 81 Cb 0.00 -3.29 0.00 0.00 -0.45 0.00 0.00 34.95 31.21 2kkl s ARG 81 CO 0.00 -0.06 0.00 0.72 -0.68 0.00 0.00 175.30 175.28 2kkl n HIS 82 N 2.86 0.00 -0.27 -0.53 8.25 -1.26 -4.74 115.22 119.53 2kkl n HIS 82 Ca 0.05 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.67 2kkl n HIS 82 Cb 0.46 0.00 0.45 0.00 1.12 0.00 0.00 29.99 32.01 2kkl n HIS 82 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2kkl h PRO 83 N 0.00 0.52 -3.42 -0.41 0.11 -1.92 -3.04 132.00 123.84 2kkl h PRO 83 Ca 0.00 -0.03 -0.78 0.00 0.11 0.00 0.00 66.00 65.30 2kkl h PRO 83 Cb 0.00 -0.12 -0.22 0.00 0.11 0.00 0.00 31.00 30.77 2kkl h PRO 83 CO 0.00 0.35 1.29 -3.47 -0.21 0.00 0.00 178.00 175.95 2kkl n ASP 84 N -4.58 5.69 -3.59 -2.05 -0.08 -1.26 -4.92 116.55 105.76 2kkl n ASP 84 Ca 0.20 -3.21 -0.10 0.00 -1.51 0.00 0.00 54.79 50.17 2kkl n ASP 84 Cb 0.63 -1.40 -0.05 0.00 2.34 0.00 0.00 41.12 42.64 2kkl n ASP 84 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2kkl s SER 85 N 0.08 -0.37 0.19 1.67 0.15 -1.15 -4.92 113.70 109.35 2kkl s SER 85 Ca 0.36 0.46 -0.10 0.00 0.70 0.00 0.00 55.95 57.36 2kkl s SER 85 Cb 0.04 0.38 0.11 0.00 -1.71 0.00 0.00 66.02 64.84 2kkl s SER 85 CO 0.04 -0.30 1.75 0.44 1.20 0.00 0.00 173.24 176.36 2kkl h ASP 86 N 2.81 0.94 -3.31 5.45 3.32 -1.87 -3.40 116.42 120.36 2kkl h ASP 86 Ca -0.20 -0.17 -0.58 0.00 0.02 0.00 0.00 57.03 56.10 2kkl h ASP 86 Cb 1.17 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 40.40 2kkl h ASP 86 CO 0.27 0.86 0.36 -0.63 -1.72 0.00 0.00 179.24 178.39 2kkl s ILE 87 N -5.54 4.89 -0.48 0.35 -1.09 -1.26 -4.89 121.20 113.18 2kkl s ILE 87 Ca -0.13 1.59 0.03 0.00 -2.23 0.00 0.00 60.65 59.91 2kkl s ILE 87 Cb 0.14 -4.12 0.15 0.00 -1.58 0.00 0.00 42.46 37.05 2kkl s ILE 87 CO 0.81 0.03 0.31 0.12 -1.23 0.00 0.00 174.94 174.99 2kkl s PHE 88 N 2.12 2.06 -0.19 3.97 5.36 -1.26 -4.60 117.98 125.45 2kkl s PHE 88 Ca 0.37 -2.56 -0.07 0.00 -0.96 0.00 0.00 56.93 53.72 2kkl s PHE 88 Cb -0.16 -1.80 -0.04 0.00 -0.34 0.00 0.00 43.02 40.68 2kkl s PHE 88 CO 0.12 -0.75 0.04 -0.51 -1.46 0.00 0.00 175.22 172.67 2kkl s LEU 89 N -0.05 3.65 -0.43 6.12 1.43 -1.19 -4.99 118.68 123.22 2kkl s LEU 89 Ca 0.22 -0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 2kkl s LEU 89 Cb -0.14 -1.92 0.15 0.00 0.03 0.00 0.00 46.19 44.31 2kkl s LEU 89 CO -0.08 0.15 0.28 -1.81 0.23 0.00 0.00 176.35 175.12 2kkl s ASP 90 N 0.53 2.88 0.38 2.29 1.01 -1.26 -4.02 116.67 118.49 2kkl s ASP 90 Ca 0.02 -2.73 -0.14 0.00 0.71 0.00 0.00 52.55 50.40 2kkl s ASP 90 Cb -0.13 -0.71 0.05 0.00 1.01 0.00 0.00 42.92 43.14 2kkl s ASP 90 CO 0.01 -0.23 0.76 -1.81 0.21 0.00 0.00 175.17 174.11 2kkl s ASP 91 N 0.32 0.10 1.05 0.27 1.01 -1.26 -5.12 116.67 113.04 2kkl s ASP 91 Ca 0.23 -1.19 -0.12 0.00 0.71 0.00 0.00 52.55 52.18 2kkl s ASP 91 Cb -0.14 0.84 0.22 0.00 1.01 0.00 0.00 42.92 44.85 2kkl s ASP 91 CO -0.07 -1.67 1.07 -0.69 0.21 0.00 0.00 175.17 174.02 2kkl s VAL 92 N -2.34 2.16 0.00 -1.27 1.01 -1.26 -2.63 120.40 116.07 2kkl s VAL 92 Ca 0.17 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.20 2kkl s VAL 92 Cb -0.05 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.11 2kkl s VAL 92 CO 0.12 -0.07 0.00 0.35 0.00 0.00 0.00 175.10 175.51 2kkl n THR 93 N -4.52 0.00 -4.89 3.92 -2.24 -1.26 -4.70 114.28 100.60 2kkl n THR 93 Ca 0.06 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.55 2kkl n THR 93 Cb 0.54 -0.18 -0.17 0.00 -2.10 0.00 0.00 70.33 68.42 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 -1.76 1.64 0.00 2.28 1.01 -1.08 -4.56 120.40 117.92 2kkl s VAL 94 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2kkl s VAL 94 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.94 2kkl s VAL 94 CO 0.00 0.47 0.00 -1.20 0.00 0.00 0.00 175.10 174.37 2kkl n SER 95 N 3.71 0.00 -0.21 3.32 7.64 -1.26 -4.61 113.62 122.21 2kkl n SER 95 Ca -0.21 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.60 2kkl n SER 95 Cb 0.52 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.75 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 0.89 -1.26 1.43 2.47 -1.92 -3.24 114.38 112.75 2kkl h ARG 96 Ca 0.00 -0.17 -0.11 0.00 -1.26 0.00 0.00 59.98 58.44 2kkl h ARG 96 Cb 0.00 -0.14 -0.23 0.00 -1.65 0.00 0.00 29.97 27.95 2kkl h ARG 96 CO 0.00 0.77 -0.48 -0.98 0.56 0.00 0.00 179.97 179.84 2kkl s ARG 97 N -5.52 0.67 0.26 0.04 1.70 -1.26 0.56 118.95 115.41 2kkl s ARG 97 Ca -0.13 -0.10 -0.05 0.00 -0.47 0.00 0.00 55.73 54.99 2kkl s ARG 97 Cb 0.13 -0.06 0.31 0.00 -0.57 0.00 0.00 34.95 34.76 2kkl s ARG 97 CO 0.80 -1.13 1.89 1.25 -1.08 0.00 0.00 175.30 177.03 2kkl h HIS 98 N 7.43 1.13 -3.49 5.89 -0.00 -1.80 -3.43 115.15 120.88 2kkl h HIS 98 Ca 0.01 -0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.31 2kkl h HIS 98 Cb 1.15 -0.37 -0.12 0.00 -0.00 0.00 0.00 27.41 28.08 2kkl h HIS 98 CO 0.22 0.77 -0.11 0.00 -0.00 0.00 0.00 177.93 178.81 2kkl s ALA 99 N -5.80 -0.71 0.03 5.26 0.00 -1.26 -4.33 121.76 114.94 2kkl s ALA 99 Ca -0.12 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 51.59 2kkl s ALA 99 Cb 0.17 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 24.01 2kkl s ALA 99 CO 0.81 -0.67 -0.10 -2.00 0.00 0.00 0.00 175.76 173.80 2kkl s GLU 100 N -3.85 0.68 -0.02 0.00 2.12 -0.71 -1.41 118.70 115.51 2kkl s GLU 100 Ca 0.07 -0.61 0.04 0.00 0.36 0.00 0.00 54.97 54.83 2kkl s GLU 100 Cb 0.02 -0.61 -0.03 0.00 0.26 0.00 0.00 34.13 33.77 2kkl s GLU 100 CO -0.08 0.15 -0.13 -0.06 -0.54 0.00 0.00 175.26 174.60 2kkl s PHE 101 N -0.83 2.71 -0.04 5.30 0.08 0.13 -1.04 117.98 124.30 2kkl s PHE 101 Ca -0.02 -0.15 0.04 0.00 0.12 0.00 0.00 56.93 56.92 2kkl s PHE 101 Cb -0.07 -1.59 -0.00 0.00 -0.57 0.00 0.00 43.02 40.79 2kkl s PHE 101 CO 0.01 0.24 -0.15 1.03 -0.10 0.00 0.00 175.22 176.25 2kkl s ARG 102 N -1.01 1.53 -0.20 0.44 0.52 0.04 -2.06 118.95 118.21 2kkl s ARG 102 Ca 0.13 -0.53 -0.12 0.00 -0.52 0.00 0.00 55.73 54.70 2kkl s ARG 102 Cb -0.11 -1.36 -0.05 0.00 0.52 0.00 0.00 34.95 33.95 2kkl s ARG 102 CO 0.03 0.22 0.21 -1.17 0.02 0.00 0.00 175.30 174.60 2kkl s LEU 103 N 0.04 4.19 0.00 2.53 2.96 -0.38 -0.36 118.68 127.67 2kkl s LEU 103 Ca -0.03 0.31 0.00 0.00 -0.22 0.00 0.00 54.13 54.19 2kkl s LEU 103 Cb -0.10 -2.21 0.00 0.00 0.50 0.00 0.00 46.19 44.38 2kkl s LEU 103 CO 0.01 0.11 0.00 -1.84 -1.32 0.00 0.00 176.35 173.31 2kkl n GLU 104 N 3.79 0.00 -0.01 1.98 0.28 -1.26 -4.95 120.64 120.47 2kkl n GLU 104 Ca -0.14 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.74 2kkl n GLU 104 Cb 0.52 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.32 2kkl n GLU 104 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2kkl h ASN 105 N 0.00 0.12 0.00 -1.84 -0.26 -2.00 -3.43 115.58 108.17 2kkl h ASN 105 Ca 0.00 -0.23 -0.01 0.00 -0.56 0.00 0.00 56.30 55.50 2kkl h ASN 105 Cb 0.00 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 2kkl h ASN 105 CO 0.00 0.32 -0.02 0.59 -1.06 0.00 0.00 177.43 177.25 2kkl n ASN 106 N -4.90 -0.08 0.00 5.81 5.03 -1.26 -5.09 115.26 114.77 2kkl n ASN 106 Ca -0.06 -0.64 0.00 0.00 0.87 0.00 0.00 54.58 54.75 2kkl n ASN 106 Cb 0.15 0.02 0.00 0.00 -1.02 0.00 0.00 39.78 38.93 2kkl n ASN 106 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2kkl n GLU 107 N 0.00 0.00 -3.51 3.52 1.02 -1.26 -4.24 120.64 116.17 2kkl n GLU 107 Ca -0.02 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.00 2kkl n GLU 107 Cb 0.31 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.70 2kkl n GLU 107 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2kkl s PHE 108 N 3.69 -0.47 0.01 -0.32 0.08 -1.26 -4.51 117.98 115.20 2kkl s PHE 108 Ca 0.00 0.55 -0.05 0.00 0.12 0.00 0.00 56.93 57.55 2kkl s PHE 108 Cb 0.00 0.49 -0.00 0.00 -0.57 0.00 0.00 43.02 42.94 2kkl s PHE 108 CO 0.00 -0.58 0.09 -0.80 -0.10 0.00 0.00 175.22 173.83 2kkl s ASN 109 N -1.92 0.07 -0.08 1.36 0.01 0.51 -3.30 114.94 111.60 2kkl s ASN 109 Ca -0.01 -0.26 0.03 0.00 -0.71 0.00 0.00 52.86 51.91 2kkl s ASN 109 Cb -0.01 0.18 0.01 0.00 0.41 0.00 0.00 41.25 41.84 2kkl s ASN 109 CO -0.03 -0.34 -0.18 0.54 -1.51 0.00 0.00 177.10 175.58 2kkl s VAL 110 N -1.34 1.60 -0.06 1.60 0.11 -1.10 -0.78 120.40 120.44 2kkl s VAL 110 Ca -0.14 -0.76 0.03 0.00 -2.93 0.00 0.00 61.98 58.17 2kkl s VAL 110 Cb -0.08 -1.41 0.01 0.00 -1.53 0.00 0.00 36.38 33.37 2kkl s VAL 110 CO 0.01 0.46 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.42 2kkl s VAL 111 N 0.45 1.17 -0.30 2.04 1.01 -0.20 -2.39 120.40 122.17 2kkl s VAL 111 Ca -0.16 -0.52 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 2kkl s VAL 111 Cb -0.16 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 2kkl s VAL 111 CO 0.06 0.36 0.21 -0.62 0.00 0.00 0.00 175.10 175.10 2kkl s ASP 112 N 0.50 6.00 0.00 3.32 -1.08 -1.05 -1.73 116.67 122.63 2kkl s ASP 112 Ca -0.12 -0.18 0.00 0.00 -0.52 0.00 0.00 52.55 51.73 2kkl s ASP 112 Cb -0.14 -2.12 0.00 0.00 -1.46 0.00 0.00 42.92 39.20 2kkl s ASP 112 CO 0.03 -0.12 0.00 1.33 0.52 0.00 0.00 175.17 176.93 2kkl n VAL 113 N 5.07 0.00 0.70 1.11 0.24 -1.26 -4.77 118.33 119.42 2kkl n VAL 113 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 2kkl n VAL 113 Cb 0.51 -1.23 0.00 0.00 -1.47 0.00 0.00 33.84 31.65 2kkl n VAL 113 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kkl n GLY 114 N 3.91 1.34 3.78 7.63 0.00 -1.26 -4.85 105.19 115.74 2kkl n GLY 114 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2kkl n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kkl s SER 115 N 0.80 5.87 1.38 1.61 0.01 -1.26 -5.02 113.70 117.09 2kkl s SER 115 Ca 0.00 2.04 -0.20 0.00 1.31 0.00 0.00 55.95 59.10 2kkl s SER 115 Cb 0.00 -2.57 0.36 0.00 0.21 0.00 0.00 66.02 64.02 2kkl s SER 115 CO 0.00 -1.11 0.93 -0.76 0.41 0.00 0.00 173.24 172.71 2kkl s LEU 116 N -3.88 -0.80 0.00 2.44 1.02 -1.26 -4.57 118.68 111.63 2kkl s LEU 116 Ca 0.69 1.09 0.00 0.00 0.02 0.00 0.00 54.13 55.93 2kkl s LEU 116 Cb -0.20 -2.61 0.00 0.00 0.02 0.00 0.00 46.19 43.40 2kkl s LEU 116 CO 0.27 -5.24 0.00 -3.20 0.02 0.00 0.00 176.35 168.21 2kkl n ASN 117 N -5.57 0.00 0.00 2.29 5.15 -1.26 -4.78 115.26 111.09 2kkl n ASN 117 Ca 0.09 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 2kkl n ASN 117 Cb 0.58 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.83 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 0.00 2.68 3.76 8.20 0.00 -1.26 -5.13 105.19 113.43 2kkl n GLY 118 Ca 0.00 0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 3.31 0.01 2.61 2.01 -1.26 -4.97 115.64 117.35 2kkl s THR 119 Ca 0.00 1.26 0.07 0.00 0.31 0.00 0.00 61.69 63.33 2kkl s THR 119 Cb 0.00 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 2kkl s THR 119 CO 0.00 0.28 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.69 2kkl s TYR 120 N -0.89 1.86 -0.07 4.92 2.02 -1.26 -4.06 117.35 119.87 2kkl s TYR 120 Ca 0.48 -0.36 0.04 0.00 -0.37 0.00 0.00 57.07 56.85 2kkl s TYR 120 Cb -0.34 -1.16 0.00 0.00 -0.40 0.00 0.00 41.96 40.06 2kkl s TYR 120 CO 0.43 0.02 -0.19 0.54 -1.57 0.00 0.00 175.55 174.78 2kkl s VAL 121 N -0.63 1.62 0.02 0.71 0.11 -1.26 -3.70 120.40 117.28 2kkl s VAL 121 Ca 0.08 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.34 2kkl s VAL 121 Cb -0.08 -1.41 0.00 0.00 -1.53 0.00 0.00 36.38 33.35 2kkl s VAL 121 CO 0.00 0.46 0.00 0.59 -3.33 0.00 0.00 175.10 172.83 2kkl n ASN 122 N 3.43 -3.97 0.00 3.54 3.02 -1.18 -2.57 115.26 117.53 2kkl n ASN 122 Ca -0.20 0.11 0.03 0.00 -0.03 0.00 0.00 54.58 54.49 2kkl n ASN 122 Cb 0.52 -0.33 0.17 0.00 -0.61 0.00 0.00 39.78 39.53 2kkl n ASN 122 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2kkl n ARG 123 N -1.44 0.57 -3.91 3.52 0.63 -1.26 -4.06 116.66 110.70 2kkl n ARG 123 Ca 0.00 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.64 2kkl n ARG 123 Cb 0.05 -1.16 -0.13 0.00 0.45 0.00 0.00 32.46 31.67 2kkl n ARG 123 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 2kkl s GLU 124 N -2.00 2.21 0.27 -0.14 -1.05 -1.06 -5.09 118.70 111.83 2kkl s GLU 124 Ca 0.09 -2.99 -0.31 0.00 -0.15 0.00 0.00 54.97 51.61 2kkl s GLU 124 Cb 0.04 -3.33 -0.12 0.00 -0.44 0.00 0.00 34.13 30.28 2kkl s GLU 124 CO 0.07 -1.21 1.57 -2.30 0.95 0.00 0.00 175.26 174.34 2kkl n PRO 125 N 2.51 2.55 -3.72 -4.83 -0.02 -1.24 -4.12 135.00 126.12 2kkl n PRO 125 Ca 0.13 0.91 -0.11 0.00 -2.02 0.00 0.00 63.50 62.40 2kkl n PRO 125 Cb 0.34 -2.67 -0.07 0.00 -0.02 0.00 0.00 33.50 31.08 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 0.13 0.08 0.17 -1.45 -7.23 -1.26 -4.87 120.40 105.96 2kkl s VAL 126 Ca 0.66 -0.66 -0.11 0.00 -1.81 0.00 0.00 61.98 60.07 2kkl s VAL 126 Cb -0.54 -1.02 0.07 0.00 0.56 0.00 0.00 36.38 35.45 2kkl s VAL 126 CO 0.47 -0.36 1.69 0.44 -0.31 0.00 0.00 175.10 177.02 2kkl h ASP 127 N 2.99 0.89 -4.33 4.85 3.32 -1.95 -3.40 116.42 118.78 2kkl h ASP 127 Ca -0.32 -0.23 -0.06 0.00 0.02 0.00 0.00 57.03 56.44 2kkl h ASP 127 Cb 1.21 -0.23 -0.21 0.00 0.22 0.00 0.00 39.33 40.32 2kkl h ASP 127 CO 0.46 0.88 0.07 -0.94 -1.72 0.00 0.00 179.24 178.00 2kkl s SER 128 N -6.26 -0.64 -0.01 6.45 1.04 -1.26 -2.53 113.70 110.49 2kkl s SER 128 Ca -0.13 1.07 -0.30 0.00 0.48 0.00 0.00 55.95 57.07 2kkl s SER 128 Cb 0.13 1.04 0.11 0.00 0.10 0.00 0.00 66.02 67.40 2kkl s SER 128 CO 0.81 -0.35 1.17 0.00 0.98 0.00 0.00 173.24 175.86 2kkl s ALA 129 N -0.20 -2.05 0.34 5.32 0.00 -1.01 -5.03 121.76 119.13 2kkl s ALA 129 Ca -0.04 0.75 -0.26 0.00 0.00 0.00 0.00 51.96 52.41 2kkl s ALA 129 Cb -0.03 0.34 -0.10 0.00 0.00 0.00 0.00 23.12 23.33 2kkl s ALA 129 CO 0.04 -0.95 0.99 0.08 0.00 0.00 0.00 175.76 175.92 2kkl s VAL 130 N -2.66 3.99 0.08 0.00 1.01 -1.26 -2.70 120.40 118.86 2kkl s VAL 130 Ca 0.12 1.65 0.01 0.00 0.00 0.00 0.00 61.98 63.77 2kkl s VAL 130 Cb 0.02 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2kkl s VAL 130 CO -0.03 0.13 -0.06 -1.48 0.00 0.00 0.00 175.10 173.66 2kkl s LEU 131 N -2.15 2.46 0.00 3.92 -0.00 -1.21 -4.96 118.68 116.75 2kkl s LEU 131 Ca 0.52 -0.91 -0.01 0.00 -0.00 0.00 0.00 54.13 53.72 2kkl s LEU 131 Cb -0.21 -0.03 0.00 0.00 -0.00 0.00 0.00 46.19 45.95 2kkl s LEU 131 CO 0.27 -0.44 0.11 0.00 -0.00 0.00 0.00 176.35 176.28 2kkl n ALA 132 N 0.28 -0.11 -1.59 1.48 0.00 -1.26 -4.21 120.51 115.10 2kkl n ALA 132 Ca -0.15 -0.33 -0.43 0.00 0.00 0.00 0.00 53.44 52.53 2kkl n ALA 132 Cb 0.60 0.27 -0.01 0.00 0.00 0.00 0.00 19.45 20.31 2kkl n ALA 132 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2kkl n ASN 133 N -1.91 1.19 0.00 0.00 6.94 -1.26 -2.44 115.26 117.78 2kkl n ASN 133 Ca -0.00 1.12 0.00 0.00 -0.02 0.00 0.00 54.58 55.68 2kkl n ASN 133 Cb 0.12 -1.30 0.00 0.00 -2.36 0.00 0.00 39.78 36.24 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 1.23 0.54 3.67 4.83 0.00 -1.10 -5.04 105.19 109.31 2kkl n GLY 134 Ca 0.09 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.79 4.85 -0.07 1.61 1.01 -1.02 -5.01 116.67 115.25 2kkl s ASP 135 Ca 0.00 -0.29 0.02 0.00 0.71 0.00 0.00 52.55 52.99 2kkl s ASP 135 Cb 0.00 -1.08 -0.02 0.00 1.01 0.00 0.00 42.92 42.82 2kkl s ASP 135 CO 0.00 0.14 -0.13 -0.70 0.21 0.00 0.00 175.17 174.69 2kkl s GLU 136 N -2.56 2.71 -0.06 8.23 -6.30 -1.26 0.04 118.70 119.50 2kkl s GLU 136 Ca 0.26 -0.67 0.04 0.00 -2.50 0.00 0.00 54.97 52.10 2kkl s GLU 136 Cb -0.11 -2.46 0.00 0.00 0.00 0.00 0.00 34.13 31.56 2kkl s GLU 136 CO 0.18 0.55 -0.17 0.08 0.02 0.00 0.00 175.26 175.92 2kkl s VAL 137 N -0.54 1.47 -0.14 3.70 1.01 -0.66 -3.10 120.40 122.14 2kkl s VAL 137 Ca 0.07 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.37 2kkl s VAL 137 Cb -0.12 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.98 2kkl s VAL 137 CO 0.02 0.43 -0.20 -1.58 0.00 0.00 0.00 175.10 173.76 2kkl s GLN 138 N 0.32 3.09 -0.11 2.72 0.74 -1.24 -1.35 119.66 123.84 2kkl s GLN 138 Ca -0.11 -0.82 0.04 0.00 0.05 0.00 0.00 55.36 54.52 2kkl s GLN 138 Cb -0.14 -2.49 0.00 0.00 1.10 0.00 0.00 33.01 31.47 2kkl s GLN 138 CO 0.04 0.01 -0.23 0.42 -0.55 0.00 0.00 175.29 174.98 2kkl s ILE 139 N 0.79 2.01 0.00 -2.34 1.01 -0.80 -4.26 121.20 117.61 2kkl s ILE 139 Ca -0.07 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.60 2kkl s ILE 139 Cb -0.16 -1.75 0.00 0.00 0.01 0.00 0.00 42.46 40.56 2kkl s ILE 139 CO -0.01 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.09 2kkl n GLY 140 N 3.65 2.76 0.02 6.18 0.00 -1.26 -0.63 105.19 115.90 2kkl n GLY 140 Ca -0.19 0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.19 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 0.41 -2.81 1.61 4.81 -1.26 -4.93 118.16 129.99 2kkl n LYS 141 Ca 0.00 -0.09 -0.36 0.00 -0.87 0.00 0.00 58.31 56.98 2kkl n LYS 141 Cb 0.00 -1.54 -0.07 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 -3.31 3.62 -0.15 5.64 0.40 0.20 -5.03 117.98 119.34 2kkl s PHE 142 Ca -0.01 1.73 0.00 0.00 -0.60 0.00 0.00 56.93 58.05 2kkl s PHE 142 Cb 0.14 -2.89 -0.01 0.00 0.51 0.00 0.00 43.02 40.78 2kkl s PHE 142 CO 0.87 0.16 -0.15 0.50 0.70 0.00 0.00 175.22 177.30 2kkl s ARG 143 N -2.27 3.25 0.18 0.44 3.52 -1.25 -1.90 118.95 120.93 2kkl s ARG 143 Ca 0.52 -0.74 0.07 0.00 -0.13 0.00 0.00 55.73 55.46 2kkl s ARG 143 Cb -0.17 -2.62 -0.04 0.00 -1.56 0.00 0.00 34.95 30.56 2kkl s ARG 143 CO 0.22 0.07 -0.15 -0.51 -0.81 0.00 0.00 175.30 174.12 2kkl s LEU 144 N 0.69 2.51 -0.05 -0.88 1.02 -0.45 -1.33 118.68 120.20 2kkl s LEU 144 Ca -0.07 -0.96 0.05 0.00 0.02 0.00 0.00 54.13 53.17 2kkl s LEU 144 Cb -0.16 -0.66 -0.01 0.00 0.02 0.00 0.00 46.19 45.39 2kkl s LEU 144 CO 0.02 -0.15 -0.20 0.54 0.02 0.00 0.00 176.35 176.57 2kkl s VAL 145 N -2.72 1.66 -0.45 -1.59 0.11 -0.39 -1.65 120.40 115.36 2kkl s VAL 145 Ca 0.19 -0.85 -0.22 0.00 -2.93 0.00 0.00 61.98 58.18 2kkl s VAL 145 Cb -0.02 -1.41 0.03 0.00 -1.53 0.00 0.00 36.38 33.44 2kkl s VAL 145 CO 0.06 0.47 0.71 0.12 -3.33 0.00 0.00 175.10 173.13 2kkl s PHE 146 N -0.05 3.03 0.01 1.54 2.19 0.11 -2.69 117.98 122.11 2kkl s PHE 146 Ca -0.03 0.03 0.01 0.00 0.33 0.00 0.00 56.93 57.27 2kkl s PHE 146 Cb -0.12 -3.51 -0.01 0.00 -1.31 0.00 0.00 43.02 38.07 2kkl s PHE 146 CO 0.03 -0.93 -0.03 -0.51 1.83 0.00 0.00 175.22 175.60 2kkl s LEU 147 N 3.05 2.09 0.63 6.12 1.43 -1.12 -2.70 118.68 128.18 2kkl s LEU 147 Ca 0.26 -0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 53.09 2kkl s LEU 147 Cb -0.13 -0.07 0.03 0.00 0.03 0.00 0.00 46.19 46.05 2kkl s LEU 147 CO 0.21 -0.08 0.94 0.42 0.23 0.00 0.00 176.35 178.06 2kkl s THR 148 N -0.54 3.02 -1.77 5.49 -4.23 -1.26 -2.49 115.64 113.86 2kkl s THR 148 Ca -0.04 -0.16 0.30 0.00 -1.18 0.00 0.00 61.69 60.60 2kkl s THR 148 Cb -0.04 -3.24 0.60 0.00 1.34 0.00 0.00 72.50 71.16 2kkl s THR 148 CO -0.00 -0.24 1.99 0.61 -0.54 0.00 0.00 174.62 176.44 2kkl n GLY 149 N -2.70 -0.95 3.61 3.99 0.00 -1.26 -4.75 105.19 103.13 2kkl n GLY 149 Ca 0.06 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2kkl n GLY 149 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kkl s HIS 150 N -2.33 3.21 0.00 1.61 5.65 -1.26 -4.54 115.29 117.63 2kkl s HIS 150 Ca 0.35 0.72 0.00 0.00 0.25 0.00 0.00 55.06 56.38 2kkl s HIS 150 Cb 0.21 -3.13 0.00 0.00 -1.18 0.00 0.00 32.58 28.48 2kkl s HIS 150 CO 0.43 -0.53 0.00 0.36 -0.65 0.00 0.00 174.74 174.35 2kkl n LYS 151 N 6.07 0.00 -1.45 2.88 2.85 -1.26 -5.14 118.16 122.11 2kkl n LYS 151 Ca 0.02 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.96 2kkl n LYS 151 Cb 0.48 0.00 0.07 0.00 -0.65 0.00 0.00 35.03 34.94 2kkl n LYS 151 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 2kkl s GLN 152 N -0.25 2.47 0.00 -1.58 1.03 -1.26 -4.59 119.66 115.48 2kkl s GLN 152 Ca 0.00 1.25 0.00 0.00 0.04 0.00 0.00 55.36 56.65 2kkl s GLN 152 Cb 0.00 -1.92 0.00 0.00 0.03 0.00 0.00 33.01 31.12 2kkl s GLN 152 CO 0.00 -1.49 0.00 0.41 -2.54 0.00 0.00 175.29 171.67 2kkl n GLY 153 N -0.96 -0.41 2.19 2.60 0.00 -1.26 -4.77 105.19 102.58 2kkl n GLY 153 Ca 0.10 -1.19 -0.16 0.00 0.00 0.00 0.00 46.02 44.77 2kkl n GLY 153 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kkl n GLU 154 N 1.58 -1.34 -1.61 1.61 -0.58 -1.26 -4.81 120.64 114.23 2kkl n GLU 154 Ca 0.00 0.92 -0.34 0.00 -0.42 0.00 0.00 57.16 57.32 2kkl n GLU 154 Cb 0.00 -5.21 -0.04 0.00 -0.57 0.00 0.00 31.44 25.62 2kkl n GLU 154 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2kkl n ASP 155 N -0.77 7.54 -4.72 1.62 2.03 -1.26 -4.95 116.55 116.03 2kkl n ASP 155 Ca -0.16 -2.95 -0.41 0.00 0.52 0.00 0.00 54.79 51.79 2kkl n ASP 155 Cb 0.51 -1.38 -0.04 0.00 -0.72 0.00 0.00 41.12 39.49 2kkl n ASP 155 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2kkl s LEU 156 N -1.37 4.45 -0.20 -2.67 1.43 -1.26 -5.01 118.68 114.05 2kkl s LEU 156 Ca 0.60 1.72 -0.23 0.00 -1.03 0.00 0.00 54.13 55.19 2kkl s LEU 156 Cb 0.24 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.89 2kkl s LEU 156 CO -0.10 -0.12 0.72 -0.70 0.23 0.00 0.00 176.35 176.37 2kkl s GLU 157 N 0.33 4.23 -0.25 1.70 2.12 -1.26 -5.04 118.70 120.54 2kkl s GLU 157 Ca 0.48 0.77 -0.05 0.00 0.36 0.00 0.00 54.97 56.53 2kkl s GLU 157 Cb -0.22 -3.59 -0.00 0.00 0.26 0.00 0.00 34.13 30.57 2kkl s GLU 157 CO 0.29 -0.31 0.01 -1.01 -0.54 0.00 0.00 175.26 173.70 2kkl s HIS 158 N 2.12 3.04 -1.33 5.30 3.76 -1.26 -4.95 115.29 121.98 2kkl s HIS 158 Ca 0.32 -0.90 0.27 0.00 -0.15 0.00 0.00 55.06 54.60 2kkl s HIS 158 Cb -0.16 -2.17 0.93 0.00 1.11 0.00 0.00 32.58 32.30 2kkl s HIS 158 CO 0.11 -0.53 1.69 1.58 -0.85 0.00 0.00 174.74 176.73 2kkl n HIS 159 N 4.83 0.00 -1.84 1.40 -0.00 -1.26 -5.03 115.22 113.32 2kkl n HIS 159 Ca -0.17 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.01 2kkl n HIS 159 Cb 0.50 -0.26 0.00 0.00 -0.12 0.00 0.00 29.99 30.11 2kkl n HIS 159 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kkl n HIS 160 N -1.20 -4.58 -3.09 1.57 8.25 -1.26 -4.82 115.22 110.10 2kkl n HIS 160 Ca 0.10 2.40 -0.10 0.00 -0.26 0.00 0.00 57.72 59.85 2kkl n HIS 160 Cb 0.32 -3.53 0.01 0.00 1.12 0.00 0.00 29.99 27.91 2kkl n HIS 160 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kkl n HIS 161 N 0.05 -2.24 -0.92 4.41 -0.00 -1.26 -4.69 115.22 110.57 2kkl n HIS 161 Ca 0.00 0.96 0.05 0.00 -0.00 0.00 0.00 57.72 58.72 2kkl n HIS 161 Cb 0.00 -2.48 -0.01 0.00 -0.00 0.00 0.00 29.99 27.50 2kkl n HIS 161 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kkl n HIS 162 N 0.54 -2.17 1.69 1.57 -0.00 -1.26 -5.28 115.22 110.31 2kkl n HIS 162 Ca -0.00 0.42 0.15 0.00 -0.00 0.00 0.00 57.72 58.29 2kkl n HIS 162 Cb 0.41 -0.75 0.69 0.00 -0.00 0.00 0.00 29.99 30.34 2kkl n HIS 162 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92