#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 2.93 0.44 3.52 0.08 -1.26 -5.00 117.98 118.70 2kkl s PHE 25 Ca 0.00 1.57 -0.24 0.00 0.12 0.00 0.00 56.93 58.38 2kkl s PHE 25 Cb 0.00 -3.11 -0.08 0.00 -0.57 0.00 0.00 43.02 39.26 2kkl s PHE 25 CO 0.00 -0.99 1.24 -0.98 -0.10 0.00 0.00 175.22 174.38 2kkl s ARG 26 N -3.27 3.79 0.33 0.44 1.70 -1.26 -4.93 118.95 115.75 2kkl s ARG 26 Ca 0.68 1.97 -0.29 0.00 -0.47 0.00 0.00 55.73 57.63 2kkl s ARG 26 Cb -0.18 -2.55 -0.12 0.00 -0.57 0.00 0.00 34.95 31.53 2kkl s ARG 26 CO 0.22 -0.58 1.38 0.00 -1.08 0.00 0.00 175.30 175.24 2kkl n ALA 27 N -0.27 1.64 -2.55 7.88 0.00 -1.26 -4.92 120.51 121.04 2kkl n ALA 27 Ca 0.06 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.44 2kkl n ALA 27 Cb 0.46 -2.32 -0.05 0.00 0.00 0.00 0.00 19.45 17.54 2kkl n ALA 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kkl s ASP 28 N -0.10 6.42 0.00 0.00 1.01 -1.26 -4.45 116.67 118.30 2kkl s ASP 28 Ca 0.58 -0.08 0.00 0.00 0.71 0.00 0.00 52.55 53.75 2kkl s ASP 28 Cb -0.55 -2.40 0.00 0.00 1.01 0.00 0.00 42.92 40.98 2kkl s ASP 28 CO 0.59 -0.95 0.00 2.22 0.21 0.00 0.00 175.17 177.24 2kkl n PHE 29 N 6.83 0.00 -0.04 4.23 -1.74 -1.26 -4.94 117.46 120.53 2kkl n PHE 29 Ca 0.03 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 56.91 2kkl n PHE 29 Cb 0.48 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 41.37 2kkl n PHE 29 CO 0.00 0.00 0.00 1.47 -0.56 0.00 0.00 176.76 177.67 2kkl n LEU 30 N -0.15 0.00 -4.03 5.98 -0.00 -1.26 -4.69 117.00 112.85 2kkl n LEU 30 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.59 2kkl n LEU 30 Cb 0.00 0.21 -0.00 0.00 -0.00 0.00 0.00 43.42 43.63 2kkl n LEU 30 CO 0.00 0.21 0.98 -0.24 -0.00 0.00 0.00 177.39 178.34 2kkl n SER 31 N -2.33 6.03 -4.65 1.45 2.88 -1.26 -5.00 113.62 110.74 2kkl n SER 31 Ca -0.15 -3.34 -0.38 0.00 -1.33 0.00 0.00 58.87 53.67 2kkl n SER 31 Cb 0.73 -1.24 -0.08 0.00 -0.75 0.00 0.00 64.21 62.86 2kkl n SER 31 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2kkl s GLU 32 N -2.47 4.11 0.00 -1.46 -1.05 -1.26 -4.93 118.70 111.63 2kkl s GLU 32 Ca 0.31 0.01 0.28 0.00 -0.15 0.00 0.00 54.97 55.43 2kkl s GLU 32 Cb 0.03 -3.56 1.07 0.00 -0.44 0.00 0.00 34.13 31.22 2kkl s GLU 32 CO 0.06 -0.06 1.76 1.28 0.95 0.00 0.00 175.26 179.25 2kkl n LEU 33 N 4.59 0.86 0.00 1.83 4.77 -1.26 -4.93 117.00 122.86 2kkl n LEU 33 Ca -0.11 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 2kkl n LEU 33 Cb 0.51 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2kkl n LEU 33 CO 0.38 0.15 0.00 -0.67 -1.33 0.00 0.00 177.39 175.92 2kkl n ASP 34 N -0.60 0.00 -4.89 -1.43 -0.08 -1.26 -4.60 116.55 103.69 2kkl n ASP 34 Ca 0.15 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 53.13 2kkl n ASP 34 Cb 0.31 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.72 2kkl n ASP 34 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kkl s ALA 35 N -1.00 3.63 0.46 -1.67 0.00 -1.26 -5.06 121.76 116.86 2kkl s ALA 35 Ca 0.00 -0.43 -0.24 0.00 0.00 0.00 0.00 51.96 51.29 2kkl s ALA 35 Cb 0.00 -2.33 -0.07 0.00 0.00 0.00 0.00 23.12 20.72 2kkl s ALA 35 CO 0.00 0.44 1.27 -1.25 0.00 0.00 0.00 175.76 176.22 2kkl s PRO 36 N -3.06 3.71 0.72 0.00 0.04 -1.26 -4.81 135.00 130.33 2kkl s PRO 36 Ca 0.45 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.53 2kkl s PRO 36 Cb -0.11 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.90 2kkl s PRO 36 CO 0.25 -0.67 0.00 0.00 0.04 0.00 0.00 177.00 176.62 2kkl n ALA 37 N -0.34 0.00 0.97 8.56 0.00 -1.26 -2.62 120.51 125.82 2kkl n ALA 37 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.61 2kkl n ALA 37 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.90 2kkl n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kkl n GLN 38 N 12.16 1.31 -3.02 0.00 -0.00 -1.26 -5.04 117.38 121.53 2kkl n GLN 38 Ca 0.00 -1.03 -0.01 0.00 -0.00 0.00 0.00 57.00 55.96 2kkl n GLN 38 Cb 0.00 -1.46 -0.01 0.00 -0.00 0.00 0.00 30.24 28.78 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 0.03 -1.72 -1.77 2.61 0.00 -1.08 -4.85 120.51 113.74 2kkl n ALA 39 Ca 0.09 0.37 -0.36 0.00 0.00 0.00 0.00 53.44 53.55 2kkl n ALA 39 Cb 0.46 -1.13 0.01 0.00 0.00 0.00 0.00 19.45 18.79 2kkl n ALA 39 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2kkl s GLY 40 N -0.39 2.69 0.00 0.00 0.00 -1.26 -5.01 107.32 103.36 2kkl s GLY 40 Ca -0.04 0.91 0.00 0.00 0.00 0.00 0.00 44.72 45.59 2kkl s GLY 40 CO 0.15 1.29 0.00 2.41 0.00 0.00 0.00 173.10 176.95 2kkl n THR 41 N -1.29 0.00 -0.46 0.90 -1.04 -1.26 -4.85 114.28 106.28 2kkl n THR 41 Ca 0.12 0.19 0.00 0.00 -2.04 0.00 0.00 64.05 62.32 2kkl n THR 41 Cb 0.50 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 68.32 2kkl n THR 41 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2kkl n GLU 42 N -1.23 0.00 -1.57 -2.82 2.13 -1.26 -4.91 120.64 110.99 2kkl n GLU 42 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 2kkl n GLU 42 Cb 0.00 -4.40 0.06 0.00 0.27 0.00 0.00 31.44 27.37 2kkl n GLU 42 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2kkl s SER 43 N -2.03 5.04 0.00 4.31 1.04 -1.26 -4.94 113.70 115.86 2kkl s SER 43 Ca 0.00 1.82 0.00 0.00 0.48 0.00 0.00 55.95 58.25 2kkl s SER 43 Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2kkl s SER 43 CO 0.00 -1.68 0.22 0.00 0.98 0.00 0.00 173.24 172.77 2kkl n ALA 44 N -2.95 -0.04 -1.96 5.32 0.00 -1.26 -5.14 120.51 114.48 2kkl n ALA 44 Ca 0.09 -0.13 -0.40 0.00 0.00 0.00 0.00 53.44 52.99 2kkl n ALA 44 Cb 0.53 -0.21 -0.05 0.00 0.00 0.00 0.00 19.45 19.72 2kkl n ALA 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2kkl s VAL 45 N 0.00 4.16 0.55 0.00 -7.23 -1.26 -5.02 120.40 111.59 2kkl s VAL 45 Ca 0.00 1.99 -0.19 0.00 -1.81 0.00 0.00 61.98 61.97 2kkl s VAL 45 Cb 0.00 -4.27 -0.06 0.00 0.56 0.00 0.00 36.38 32.61 2kkl s VAL 45 CO 0.00 0.40 1.10 -0.44 -0.31 0.00 0.00 175.10 175.85 2kkl s SER 46 N -0.64 5.80 0.00 4.85 0.01 -1.26 -4.85 113.70 117.62 2kkl s SER 46 Ca 0.44 2.07 0.00 0.00 1.31 0.00 0.00 55.95 59.77 2kkl s SER 46 Cb -0.26 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.40 2kkl s SER 46 CO 0.32 -1.16 0.00 0.61 0.41 0.00 0.00 173.24 173.42 2kkl n GLY 47 N -0.11 -2.39 0.00 3.44 0.00 -1.26 -5.10 105.19 99.77 2kkl n GLY 47 Ca 0.11 0.83 0.00 0.00 0.00 0.00 0.00 46.02 46.95 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 -0.15 0.00 -3.32 1.61 0.24 -1.26 -4.80 118.33 110.64 2kkl n VAL 48 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.06 2kkl n VAL 48 Cb 0.00 -0.55 0.05 0.00 -1.47 0.00 0.00 33.84 31.87 2kkl n VAL 48 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2kkl n GLU 49 N 0.00 -6.11 0.00 7.34 2.13 -1.26 -4.88 120.64 117.87 2kkl n GLU 49 Ca 0.00 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.66 2kkl n GLU 49 Cb 0.00 -5.78 0.00 0.00 0.27 0.00 0.00 31.44 25.93 2kkl n GLU 49 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kkl n GLY 50 N -1.72 -0.54 2.69 8.31 0.00 -1.26 -5.11 105.19 107.56 2kkl n GLY 50 Ca -0.05 0.76 -0.05 0.00 0.00 0.00 0.00 46.02 46.68 2kkl n GLY 50 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kkl n LEU 51 N 0.00 -1.78 -4.18 0.99 7.94 -1.26 -5.13 117.00 113.58 2kkl n LEU 51 Ca 0.00 -2.13 -0.27 0.00 -1.11 0.00 0.00 56.01 52.50 2kkl n LEU 51 Cb 0.00 0.63 0.26 0.00 0.53 0.00 0.00 43.42 44.84 2kkl n LEU 51 CO 0.00 1.66 0.29 -2.65 -1.11 0.00 0.00 177.39 175.58 2kkl n PRO 52 N 1.69 -4.19 -1.96 1.96 -0.02 -1.26 -4.29 135.00 126.92 2kkl n PRO 52 Ca 0.05 -1.24 -0.37 0.00 -2.02 0.00 0.00 63.50 59.91 2kkl n PRO 52 Cb 0.68 -1.82 0.03 0.00 -0.02 0.00 0.00 33.50 32.36 2kkl n PRO 52 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2kkl s PRO 53 N -4.66 3.27 0.00 0.52 0.02 -1.26 -3.05 135.00 129.84 2kkl s PRO 53 Ca 0.60 2.02 0.00 0.00 0.02 0.00 0.00 61.00 63.64 2kkl s PRO 53 Cb -0.11 -2.23 0.00 0.00 0.02 0.00 0.00 34.50 32.18 2kkl s PRO 53 CO 0.51 -1.02 0.00 0.41 -0.33 0.00 0.00 177.00 176.56 2kkl n GLY 54 N 0.61 3.29 3.75 0.52 0.00 -1.26 -5.02 105.19 107.08 2kkl n GLY 54 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 3.79 0.07 0.99 1.02 -1.17 -4.82 118.68 118.56 2kkl s LEU 55 Ca 0.00 0.15 -0.06 0.00 0.02 0.00 0.00 54.13 54.24 2kkl s LEU 55 Cb 0.00 -2.08 -0.02 0.00 0.02 0.00 0.00 46.19 44.12 2kkl s LEU 55 CO 0.00 0.32 0.10 0.00 0.02 0.00 0.00 176.35 176.79 2kkl s ALA 56 N -1.07 0.04 0.13 4.21 0.00 -1.26 -4.47 121.76 119.34 2kkl s ALA 56 Ca 0.19 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.34 2kkl s ALA 56 Cb -0.12 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 2kkl s ALA 56 CO 0.09 -0.44 0.01 -0.48 0.00 0.00 0.00 175.76 174.94 2kkl s LEU 57 N -2.79 2.12 -0.05 0.00 0.05 -1.07 -2.16 118.68 114.78 2kkl s LEU 57 Ca 0.04 -1.13 0.07 0.00 0.05 0.00 0.00 54.13 53.16 2kkl s LEU 57 Cb 0.05 0.11 -0.01 0.00 -2.05 0.00 0.00 46.19 44.29 2kkl s LEU 57 CO -0.10 -0.61 -0.25 -0.76 -0.55 0.00 0.00 176.35 174.08 2kkl s LEU 58 N -3.07 2.06 -0.06 1.48 1.43 -1.00 -2.74 118.68 116.78 2kkl s LEU 58 Ca 0.19 -0.50 0.05 0.00 -1.03 0.00 0.00 54.13 52.84 2kkl s LEU 58 Cb 0.07 -1.36 -0.00 0.00 0.03 0.00 0.00 46.19 44.93 2kkl s LEU 58 CO -0.00 0.26 -0.21 -0.69 0.23 0.00 0.00 176.35 175.94 2kkl s VAL 59 N -0.27 1.73 -0.21 -1.59 1.01 -1.08 -1.06 120.40 118.93 2kkl s VAL 59 Ca -0.00 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 60.82 2kkl s VAL 59 Cb -0.13 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2kkl s VAL 59 CO 0.02 0.49 1.83 -0.69 0.00 0.00 0.00 175.10 176.76 2kkl s VAL 60 N 0.12 3.41 0.09 2.92 1.01 -0.94 -1.44 120.40 125.58 2kkl s VAL 60 Ca -0.08 0.45 -0.18 0.00 0.00 0.00 0.00 61.98 62.16 2kkl s VAL 60 Cb -0.14 -3.45 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 2kkl s VAL 60 CO 0.04 -0.22 1.55 0.50 0.00 0.00 0.00 175.10 176.97 2kkl h LYS 61 N 12.13 0.49 -2.28 2.72 1.63 -1.70 -3.31 116.57 126.25 2kkl h LYS 61 Ca -0.37 -0.15 -0.07 0.00 -0.85 0.00 0.00 60.65 59.21 2kkl h LYS 61 Cb 1.19 -0.05 -0.21 0.00 -0.60 0.00 0.00 32.23 32.56 2kkl h LYS 61 CO 0.99 0.62 0.02 0.50 -3.45 0.00 0.00 179.45 178.14 2kkl s ARG 62 N -5.06 0.82 0.00 1.90 3.52 -1.26 -4.86 118.95 114.00 2kkl s ARG 62 Ca -0.13 0.53 0.00 0.00 -0.13 0.00 0.00 55.73 55.99 2kkl s ARG 62 Cb 0.08 0.39 0.00 0.00 -1.56 0.00 0.00 34.95 33.86 2kkl s ARG 62 CO 0.75 -0.17 0.00 0.41 -0.81 0.00 0.00 175.30 175.48 2kkl n GLY 63 N 1.98 -1.95 0.37 8.12 0.00 -1.26 -4.09 105.19 108.36 2kkl n GLY 63 Ca -0.16 -1.39 0.09 0.00 0.00 0.00 0.00 46.02 44.56 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 0.93 0.84 -0.47 1.61 0.11 -2.01 -0.62 132.00 132.39 2kkl h PRO 64 Ca 0.00 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.98 2kkl h PRO 64 Cb 0.00 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 30.87 2kkl h PRO 64 CO 0.00 0.56 0.07 0.27 -0.21 0.00 0.00 178.00 178.69 2kkl n ASN 65 N -4.60 4.36 -4.24 -2.05 0.23 -1.26 -5.00 115.26 102.70 2kkl n ASN 65 Ca 0.18 -3.15 -0.55 0.00 -0.53 0.00 0.00 54.58 50.53 2kkl n ASN 65 Cb 0.40 -0.64 -0.13 0.00 -2.08 0.00 0.00 39.78 37.33 2kkl n ASN 65 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kkl n ALA 66 N -0.27 0.23 0.00 -2.53 0.00 -0.24 -1.71 120.51 115.99 2kkl n ALA 66 Ca 0.30 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2kkl n ALA 66 Cb 1.11 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 7.15 1.11 3.76 0.00 0.00 -1.25 -4.94 105.19 111.03 2kkl n GLY 67 Ca 0.57 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.14 4.62 0.06 1.61 1.04 -0.70 -4.84 113.70 115.35 2kkl s SER 68 Ca 0.00 1.92 -0.05 0.00 0.48 0.00 0.00 55.95 58.30 2kkl s SER 68 Cb 0.00 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.57 2kkl s SER 68 CO 0.00 -1.96 0.08 0.00 0.98 0.00 0.00 173.24 172.34 2kkl s ARG 69 N -4.58 0.67 0.02 4.02 1.70 -1.26 -2.20 118.95 117.32 2kkl s ARG 69 Ca 0.64 -0.97 0.05 0.00 -0.47 0.00 0.00 55.73 54.97 2kkl s ARG 69 Cb -0.19 0.26 -0.02 0.00 -0.57 0.00 0.00 34.95 34.43 2kkl s ARG 69 CO 0.51 -0.17 -0.14 -0.06 -1.08 0.00 0.00 175.30 174.35 2kkl s PHE 70 N -3.43 1.25 -0.19 5.89 0.08 -0.22 -4.97 117.98 116.39 2kkl s PHE 70 Ca 0.02 -0.31 -0.05 0.00 0.12 0.00 0.00 56.93 56.71 2kkl s PHE 70 Cb 0.04 -0.76 -0.03 0.00 -0.57 0.00 0.00 43.02 41.70 2kkl s PHE 70 CO -0.08 0.02 -0.01 -1.17 -0.10 0.00 0.00 175.22 173.88 2kkl s LEU 71 N -0.86 3.29 -0.38 -0.37 2.96 -1.26 -2.38 118.68 119.67 2kkl s LEU 71 Ca 0.03 -0.16 -0.15 0.00 -0.22 0.00 0.00 54.13 53.63 2kkl s LEU 71 Cb -0.07 -1.82 0.01 0.00 0.50 0.00 0.00 46.19 44.81 2kkl s LEU 71 CO 0.01 0.10 0.33 -0.76 -1.32 0.00 0.00 176.35 174.71 2kkl s LEU 72 N 0.77 4.80 -0.20 -0.68 1.43 -0.92 -4.87 118.68 119.00 2kkl s LEU 72 Ca -0.00 -0.62 0.18 0.00 -1.03 0.00 0.00 54.13 52.66 2kkl s LEU 72 Cb -0.14 -2.24 0.47 0.00 0.03 0.00 0.00 46.19 44.30 2kkl s LEU 72 CO 0.02 -0.41 1.16 -0.67 0.23 0.00 0.00 176.35 176.67 2kkl n ASP 73 N 5.30 2.30 -4.04 2.29 -0.08 -1.26 -4.19 116.55 116.86 2kkl n ASP 73 Ca -0.10 -2.70 -0.08 0.00 -1.51 0.00 0.00 54.79 50.40 2kkl n ASP 73 Cb 0.48 -0.41 -0.10 0.00 2.34 0.00 0.00 41.12 43.42 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 -2.85 0.46 0.14 -0.67 -0.21 -1.26 -5.05 119.66 110.21 2kkl s GLN 74 Ca 0.36 -0.92 -0.17 0.00 0.02 0.00 0.00 55.36 54.65 2kkl s GLN 74 Cb 0.36 0.16 -0.01 0.00 1.00 0.00 0.00 33.01 34.52 2kkl s GLN 74 CO -0.05 -0.08 1.74 0.00 -2.12 0.00 0.00 175.29 174.78 2kkl h ALA 75 N 3.89 0.46 -3.39 6.09 0.00 -1.97 -3.42 119.26 120.92 2kkl h ALA 75 Ca -0.33 -0.08 -0.52 0.00 0.00 0.00 0.00 54.91 53.98 2kkl h ALA 75 Cb 1.17 -0.14 -0.34 0.00 0.00 0.00 0.00 17.79 18.48 2kkl h ALA 75 CO 0.54 -0.01 -0.82 0.42 0.00 0.00 0.00 179.25 179.38 2kkl s ILE 76 N -5.86 1.18 -0.11 0.00 1.01 -1.26 -0.41 121.20 115.74 2kkl s ILE 76 Ca -0.13 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.05 2kkl s ILE 76 Cb 0.10 -1.08 0.01 0.00 0.01 0.00 0.00 42.46 41.50 2kkl s ILE 76 CO 0.73 0.37 -0.16 -0.89 0.00 0.00 0.00 174.94 174.98 2kkl s THR 77 N 0.74 1.56 0.51 2.92 2.01 -0.96 -5.00 115.64 117.42 2kkl s THR 77 Ca -0.13 -0.69 -0.05 0.00 0.31 0.00 0.00 61.69 61.13 2kkl s THR 77 Cb -0.16 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.92 2kkl s THR 77 CO 0.03 0.45 0.81 -0.44 -0.69 0.00 0.00 174.62 174.78 2kkl s SER 78 N 0.91 6.05 0.17 3.53 0.01 -1.26 -0.94 113.70 122.16 2kkl s SER 78 Ca -0.08 0.83 0.11 0.00 1.31 0.00 0.00 55.95 58.12 2kkl s SER 78 Cb -0.15 -2.05 -0.04 0.00 0.21 0.00 0.00 66.02 63.98 2kkl s SER 78 CO -0.01 -0.72 -0.25 0.00 0.41 0.00 0.00 173.24 172.67 2kkl s ALA 79 N -2.80 2.43 0.00 1.44 0.00 -0.69 -4.37 121.76 117.76 2kkl s ALA 79 Ca 0.49 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2kkl s ALA 79 Cb -0.10 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.68 2kkl s ALA 79 CO 0.45 0.46 0.00 0.41 0.00 0.00 0.00 175.76 177.08 2kkl n GLY 80 N 0.54 0.99 3.78 0.00 0.00 -1.26 -4.05 105.19 105.18 2kkl n GLY 80 Ca -0.15 -1.38 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 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 3.83 -0.08 1.61 0.52 -1.19 -0.73 118.95 122.91 2kkl s ARG 81 Ca 0.00 -0.20 -0.30 0.00 -0.52 0.00 0.00 55.73 54.72 2kkl s ARG 81 Cb 0.00 -3.29 0.10 0.00 0.52 0.00 0.00 34.95 32.28 2kkl s ARG 81 CO 0.00 0.51 0.86 -1.01 0.02 0.00 0.00 175.30 175.68 2kkl s HIS 82 N -0.25 -0.46 -0.25 -0.53 3.76 -1.26 -4.78 115.29 111.52 2kkl s HIS 82 Ca 0.11 0.69 0.26 0.00 -0.15 0.00 0.00 55.06 55.97 2kkl s HIS 82 Cb -0.12 0.46 1.18 0.00 1.11 0.00 0.00 32.58 35.22 2kkl s HIS 82 CO 0.01 -0.48 1.79 -1.00 -0.85 0.00 0.00 174.74 174.20 2kkl h PRO 83 N 2.57 0.00 0.00 8.40 0.13 -1.99 -3.45 132.00 137.66 2kkl h PRO 83 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2kkl h PRO 83 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kkl h PRO 83 CO 0.34 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.64 2kkl n ASP 84 N -2.43 0.00 -1.75 1.44 2.03 -1.26 -5.14 116.55 109.44 2kkl n ASP 84 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2kkl n ASP 84 Cb 0.19 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 2kkl n ASP 84 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2kkl n SER 85 N 0.00 -8.99 -0.26 1.67 7.64 -1.26 -4.70 113.62 107.72 2kkl n SER 85 Ca 0.00 1.32 -0.06 0.00 1.01 0.00 0.00 58.87 61.13 2kkl n SER 85 Cb 0.00 -5.19 0.05 0.00 -1.01 0.00 0.00 64.21 58.06 2kkl n SER 85 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2kkl h ASP 86 N 1.98 0.99 -3.41 6.43 3.32 -1.89 -3.40 116.42 120.44 2kkl h ASP 86 Ca 0.00 -0.17 -0.60 0.00 0.02 0.00 0.00 57.03 56.28 2kkl h ASP 86 Cb 0.00 -0.26 -0.10 0.00 0.22 0.00 0.00 39.33 39.19 2kkl h ASP 86 CO 0.00 0.89 0.25 -0.63 -1.72 0.00 0.00 179.24 178.03 2kkl s ILE 87 N -5.56 4.94 -0.48 0.35 1.01 -1.26 -4.92 121.20 115.29 2kkl s ILE 87 Ca -0.13 1.28 0.03 0.00 0.00 0.00 0.00 60.65 61.83 2kkl s ILE 87 Cb 0.15 -3.99 0.15 0.00 0.01 0.00 0.00 42.46 38.77 2kkl s ILE 87 CO 0.82 0.01 0.30 0.12 0.00 0.00 0.00 174.94 176.18 2kkl s PHE 88 N 2.53 2.07 -0.59 3.97 5.36 -1.26 -4.30 117.98 125.77 2kkl s PHE 88 Ca 0.29 -2.54 -0.18 0.00 -0.96 0.00 0.00 56.93 53.54 2kkl s PHE 88 Cb -0.15 -1.85 0.12 0.00 -0.34 0.00 0.00 43.02 40.79 2kkl s PHE 88 CO 0.08 -0.75 0.65 -0.51 -1.46 0.00 0.00 175.22 173.23 2kkl s LEU 89 N 0.03 5.68 -0.78 6.12 1.43 0.09 -4.96 118.68 126.29 2kkl s LEU 89 Ca 0.21 -1.59 -0.20 0.00 -1.03 0.00 0.00 54.13 51.53 2kkl s LEU 89 Cb -0.17 -2.27 0.11 0.00 0.03 0.00 0.00 46.19 43.90 2kkl s LEU 89 CO -0.06 -1.02 0.97 -0.62 0.23 0.00 0.00 176.35 175.86 2kkl s ASP 90 N 3.59 6.41 0.01 2.29 -1.08 -1.26 -3.95 116.67 122.68 2kkl s ASP 90 Ca 0.09 -1.65 -0.20 0.00 -0.52 0.00 0.00 52.55 50.27 2kkl s ASP 90 Cb -0.26 -2.37 0.04 0.00 -1.46 0.00 0.00 42.92 38.87 2kkl s ASP 90 CO 0.05 -1.16 0.44 -0.62 0.52 0.00 0.00 175.17 174.40 2kkl s ASP 91 N 3.56 -0.34 0.29 -0.34 2.15 -1.26 -5.04 116.67 115.69 2kkl s ASP 91 Ca 0.24 0.17 0.03 0.00 0.43 0.00 0.00 52.55 53.42 2kkl s ASP 91 Cb -0.12 0.42 0.45 0.00 -0.30 0.00 0.00 42.92 43.36 2kkl s ASP 91 CO -0.01 -0.60 1.76 1.62 -0.17 0.00 0.00 175.17 177.77 2kkl h VAL 92 N 3.22 1.25 -0.10 1.11 3.04 -2.01 -2.58 116.25 120.19 2kkl h VAL 92 Ca -0.30 -1.14 -0.06 0.00 -1.01 0.00 0.00 66.70 64.19 2kkl h VAL 92 Cb 1.19 1.23 -0.01 0.00 -2.01 0.00 0.00 31.29 31.69 2kkl h VAL 92 CO 0.41 0.37 -0.19 0.71 -1.01 0.00 0.00 177.57 177.86 2kkl h THR 93 N 0.46 1.19 -3.49 3.17 1.35 -1.98 -3.41 112.91 110.21 2kkl h THR 93 Ca 0.08 -0.88 -0.61 0.00 -0.55 0.00 0.00 66.41 64.45 2kkl h THR 93 Cb 0.58 1.34 -0.13 0.00 -1.73 0.00 0.00 68.15 68.21 2kkl h THR 93 CO 0.04 0.26 -0.41 -0.69 -0.25 0.00 0.00 175.52 174.48 2kkl s VAL 94 N -4.59 5.32 0.85 6.82 1.01 -0.97 -4.68 120.40 124.16 2kkl s VAL 94 Ca -0.05 0.35 -0.12 0.00 0.00 0.00 0.00 61.98 62.17 2kkl s VAL 94 Cb 0.15 -3.57 0.10 0.00 0.00 0.00 0.00 36.38 33.06 2kkl s VAL 94 CO 0.73 0.34 1.14 -0.55 0.00 0.00 0.00 175.10 176.75 2kkl s SER 95 N 0.90 4.10 0.19 3.32 0.15 -1.26 -4.52 113.70 116.58 2kkl s SER 95 Ca 0.11 1.00 -0.11 0.00 0.70 0.00 0.00 55.95 57.65 2kkl s SER 95 Cb -0.13 -1.61 0.12 0.00 -1.71 0.00 0.00 66.02 62.69 2kkl s SER 95 CO 0.04 -2.19 1.84 -0.09 1.20 0.00 0.00 173.24 174.04 2kkl h ARG 96 N -1.24 0.93 -1.77 5.44 2.43 -1.88 -3.22 114.38 115.07 2kkl h ARG 96 Ca -0.48 -0.08 -0.55 0.00 -0.81 0.00 0.00 59.98 58.05 2kkl h ARG 96 Cb 1.31 -0.19 -0.42 0.00 -0.42 0.00 0.00 29.97 30.25 2kkl h ARG 96 CO 0.63 0.66 -0.79 0.54 -1.51 0.00 0.00 179.97 179.49 2kkl n ARG 97 N -4.56 2.89 -0.22 0.20 1.74 -1.26 -3.17 116.66 112.28 2kkl n ARG 97 Ca 0.06 -4.39 -0.08 0.00 -0.77 0.00 0.00 57.85 52.67 2kkl n ARG 97 Cb 0.05 -2.08 0.03 0.00 -1.02 0.00 0.00 32.46 29.44 2kkl n ARG 97 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2kkl h HIS 98 N 2.80 1.01 -3.33 -1.55 2.76 -1.69 -3.39 115.15 111.75 2kkl h HIS 98 Ca 0.18 -0.10 -0.07 0.00 -2.20 0.00 0.00 60.37 58.17 2kkl h HIS 98 Cb 0.81 -0.29 -0.15 0.00 1.55 0.00 0.00 27.41 29.33 2kkl h HIS 98 CO 0.76 0.82 -0.16 0.00 -1.30 0.00 0.00 177.93 178.05 2kkl s ALA 99 N -5.41 -0.79 0.04 5.26 0.00 -1.26 -3.81 121.76 115.78 2kkl s ALA 99 Ca -0.13 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.83 2kkl s ALA 99 Cb 0.13 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.72 2kkl s ALA 99 CO 0.82 -0.52 -0.07 -2.00 0.00 0.00 0.00 175.76 173.98 2kkl s GLU 100 N -3.18 0.51 0.01 0.00 2.12 -0.81 -1.70 118.70 115.66 2kkl s GLU 100 Ca -0.01 -0.71 0.04 0.00 0.36 0.00 0.00 54.97 54.66 2kkl s GLU 100 Cb 0.01 -0.29 -0.03 0.00 0.26 0.00 0.00 34.13 34.08 2kkl s GLU 100 CO -0.07 0.05 -0.09 -0.06 -0.54 0.00 0.00 175.26 174.54 2kkl s PHE 101 N -1.28 2.81 -0.01 5.30 0.08 -0.11 -1.00 117.98 123.77 2kkl s PHE 101 Ca -0.09 -0.09 0.03 0.00 0.12 0.00 0.00 56.93 56.90 2kkl s PHE 101 Cb -0.09 -1.58 -0.00 0.00 -0.57 0.00 0.00 43.02 40.77 2kkl s PHE 101 CO 0.00 0.34 -0.09 0.50 -0.10 0.00 0.00 175.22 175.87 2kkl s ARG 102 N -1.36 0.81 -0.09 0.44 3.52 0.81 -2.27 118.95 120.81 2kkl s ARG 102 Ca 0.16 -0.31 -0.21 0.00 -0.13 0.00 0.00 55.73 55.24 2kkl s ARG 102 Cb -0.11 -0.77 -0.04 0.00 -1.56 0.00 0.00 34.95 32.47 2kkl s ARG 102 CO 0.06 0.16 0.60 -1.17 -0.81 0.00 0.00 175.30 174.14 2kkl s LEU 103 N -0.03 4.29 -0.07 -0.88 2.96 0.45 -0.29 118.68 125.11 2kkl s LEU 103 Ca 0.01 1.01 -0.31 0.00 -0.22 0.00 0.00 54.13 54.62 2kkl s LEU 103 Cb -0.06 -2.90 0.12 0.00 0.50 0.00 0.00 46.19 43.84 2kkl s LEU 103 CO -0.00 -0.07 0.99 -0.70 -1.32 0.00 0.00 176.35 175.25 2kkl s GLU 104 N 0.76 0.65 -1.67 1.98 2.12 -1.26 -4.95 118.70 116.33 2kkl s GLU 104 Ca 0.32 -0.19 -0.02 0.00 0.36 0.00 0.00 54.97 55.44 2kkl s GLU 104 Cb -0.16 0.30 0.00 0.00 0.26 0.00 0.00 34.13 34.53 2kkl s GLU 104 CO 0.14 -0.28 0.21 0.09 -0.54 0.00 0.00 175.26 174.89 2kkl n ASN 105 N -0.08 -5.86 -2.82 -1.70 3.02 -1.26 -1.56 115.26 105.00 2kkl n ASN 105 Ca -0.06 -0.10 -0.18 0.00 -0.03 0.00 0.00 54.58 54.21 2kkl n ASN 105 Cb 0.60 -4.83 0.00 0.00 -0.61 0.00 0.00 39.78 34.95 2kkl n ASN 105 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2kkl n ASN 106 N -2.18 -4.24 0.00 6.41 3.02 -1.26 -4.81 115.26 112.20 2kkl n ASN 106 Ca -0.19 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.28 2kkl n ASN 106 Cb 0.66 -3.54 0.00 0.00 -0.61 0.00 0.00 39.78 36.29 2kkl n ASN 106 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2kkl n GLU 107 N -3.29 0.00 -3.53 3.52 -0.58 -0.60 -4.48 120.64 111.68 2kkl n GLU 107 Ca -0.10 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.49 2kkl n GLU 107 Cb 0.59 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.41 2kkl n GLU 107 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2kkl s PHE 108 N 2.79 -0.55 0.04 -0.32 0.08 -1.25 -4.26 117.98 114.51 2kkl s PHE 108 Ca 0.00 0.90 0.01 0.00 0.12 0.00 0.00 56.93 57.96 2kkl s PHE 108 Cb 0.00 0.44 -0.02 0.00 -0.57 0.00 0.00 43.02 42.86 2kkl s PHE 108 CO 0.00 -0.54 -0.06 -0.80 -0.10 0.00 0.00 175.22 173.72 2kkl s ASN 109 N -1.31 0.69 -0.08 1.36 0.01 0.61 -1.97 114.94 114.26 2kkl s ASN 109 Ca -0.07 -0.59 0.04 0.00 -0.71 0.00 0.00 52.86 51.53 2kkl s ASN 109 Cb -0.00 0.07 0.00 0.00 0.41 0.00 0.00 41.25 41.72 2kkl s ASN 109 CO 0.05 -0.27 -0.20 0.54 -1.51 0.00 0.00 177.10 175.71 2kkl s VAL 110 N -1.68 1.73 -0.07 1.60 0.11 -1.08 -0.13 120.40 120.88 2kkl s VAL 110 Ca -0.09 -0.85 0.03 0.00 -2.93 0.00 0.00 61.98 58.14 2kkl s VAL 110 Cb -0.08 -1.51 0.01 0.00 -1.53 0.00 0.00 36.38 33.27 2kkl s VAL 110 CO -0.01 0.49 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.40 2kkl s VAL 111 N 0.30 1.41 0.18 2.04 1.01 -0.17 -2.74 120.40 122.42 2kkl s VAL 111 Ca -0.13 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 2kkl s VAL 111 Cb -0.16 -1.25 -0.07 0.00 0.00 0.00 0.00 36.38 34.91 2kkl s VAL 111 CO 0.06 0.41 0.54 -1.81 0.00 0.00 0.00 175.10 174.30 2kkl s ASP 112 N 0.46 6.73 0.00 3.32 1.01 -0.97 -1.92 116.67 125.30 2kkl s ASP 112 Ca -0.13 0.99 0.00 0.00 0.71 0.00 0.00 52.55 54.12 2kkl s ASP 112 Cb -0.15 -2.25 0.00 0.00 1.01 0.00 0.00 42.92 41.52 2kkl s ASP 112 CO 0.05 0.03 0.33 1.33 0.21 0.00 0.00 175.17 177.12 2kkl n VAL 113 N 0.41 0.11 0.00 -1.27 0.24 -1.25 -4.98 118.33 111.60 2kkl n VAL 113 Ca -0.03 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 2kkl n VAL 113 Cb 0.52 1.40 0.00 0.00 -1.47 0.00 0.00 33.84 34.29 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 -0.05 1.18 3.14 7.63 0.00 -1.26 -5.03 105.19 110.80 2kkl n GLY 114 Ca 0.00 -1.04 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 2kkl n GLY 114 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kkl n SER 115 N 0.00 -3.66 0.05 1.61 2.88 -1.26 -4.80 113.62 108.43 2kkl n SER 115 Ca 0.00 -0.67 -0.13 0.00 -1.33 0.00 0.00 58.87 56.75 2kkl n SER 115 Cb 0.00 -0.92 -0.08 0.00 -0.75 0.00 0.00 64.21 62.47 2kkl n SER 115 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2kkl h LEU 116 N -3.27 -0.05 -0.62 2.46 7.12 -2.01 -2.95 115.31 116.00 2kkl h LEU 116 Ca -0.34 -0.11 -0.07 0.00 0.13 0.00 0.00 57.88 57.49 2kkl h LEU 116 Cb 1.09 0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 41.21 2kkl h LEU 116 CO 0.21 0.08 0.10 0.78 -0.13 0.00 0.00 178.44 179.48 2kkl h ASN 117 N -0.18 0.98 0.00 1.25 2.35 -1.95 -3.43 115.58 114.60 2kkl h ASN 117 Ca -0.01 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 2kkl h ASN 117 Cb 0.16 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.27 2kkl h ASN 117 CO 0.01 0.99 0.00 0.61 -1.65 0.00 0.00 177.43 177.39 2kkl n GLY 118 N -0.56 2.15 3.65 2.83 0.00 -1.12 -4.57 105.19 107.57 2kkl n GLY 118 Ca 0.03 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 2.37 -0.02 2.61 2.01 -1.26 -4.98 115.64 116.37 2kkl s THR 119 Ca 0.00 0.12 0.05 0.00 0.31 0.00 0.00 61.69 62.17 2kkl s THR 119 Cb 0.00 -2.33 -0.01 0.00 0.01 0.00 0.00 72.50 70.17 2kkl s THR 119 CO 0.00 -0.16 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.30 2kkl s TYR 120 N -2.71 1.51 -0.04 4.92 1.51 -1.25 -4.29 117.35 116.99 2kkl s TYR 120 Ca 0.66 -0.32 0.03 0.00 -1.01 0.00 0.00 57.07 56.43 2kkl s TYR 120 Cb -0.21 -0.98 0.00 0.00 -0.11 0.00 0.00 41.96 40.65 2kkl s TYR 120 CO 0.59 -0.06 -0.14 0.54 -1.11 0.00 0.00 175.55 175.37 2kkl s VAL 121 N -0.27 1.23 0.02 0.71 0.11 -1.26 -3.09 120.40 117.84 2kkl s VAL 121 Ca 0.04 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.50 2kkl s VAL 121 Cb -0.08 -1.08 0.00 0.00 -1.53 0.00 0.00 36.38 33.70 2kkl s VAL 121 CO -0.00 0.36 0.00 0.59 -3.33 0.00 0.00 175.10 172.72 2kkl n ASN 122 N 3.32 -2.46 0.27 3.54 5.03 -1.26 -2.96 115.26 120.75 2kkl n ASN 122 Ca -0.19 0.08 0.18 0.00 0.87 0.00 0.00 54.58 55.52 2kkl n ASN 122 Cb 0.53 -0.26 0.85 0.00 -1.02 0.00 0.00 39.78 39.88 2kkl n ASN 122 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 2kkl h ARG 123 N 0.00 0.00 -4.40 3.52 2.43 -1.98 -3.37 114.38 110.58 2kkl h ARG 123 Ca 0.00 0.00 -0.72 0.00 -0.81 0.00 0.00 59.98 58.45 2kkl h ARG 123 Cb 0.07 0.00 -0.27 0.00 -0.42 0.00 0.00 29.97 29.35 2kkl h ARG 123 CO 0.00 0.00 -0.42 -2.00 -1.51 0.00 0.00 179.97 176.04 2kkl s GLU 124 N -3.79 2.69 0.32 0.20 2.12 -1.15 -5.08 118.70 114.01 2kkl s GLU 124 Ca -0.01 -1.46 -0.28 0.00 0.36 0.00 0.00 54.97 53.58 2kkl s GLU 124 Cb 0.10 -3.89 -0.09 0.00 0.26 0.00 0.00 34.13 30.51 2kkl s GLU 124 CO 0.44 -1.00 1.08 -1.25 -0.54 0.00 0.00 175.26 173.99 2kkl s PRO 125 N 1.47 4.48 0.10 4.30 0.04 -1.24 -4.18 135.00 139.98 2kkl s PRO 125 Ca 0.03 1.69 -0.01 0.00 0.04 0.00 0.00 61.00 62.76 2kkl s PRO 125 Cb -0.24 -2.96 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 2kkl s PRO 125 CO 0.03 0.10 0.02 0.14 0.04 0.00 0.00 177.00 177.32 2kkl s VAL 126 N -1.34 0.20 0.21 -0.36 -7.23 -1.26 -4.89 120.40 105.72 2kkl s VAL 126 Ca 0.49 -1.88 -0.06 0.00 -1.81 0.00 0.00 61.98 58.72 2kkl s VAL 126 Cb -0.28 -1.84 0.06 0.00 0.56 0.00 0.00 36.38 34.88 2kkl s VAL 126 CO 0.36 -0.68 1.65 0.44 -0.31 0.00 0.00 175.10 176.56 2kkl h ASP 127 N 2.97 0.91 -5.02 4.85 5.19 -1.84 -3.42 116.42 120.06 2kkl h ASP 127 Ca -0.35 -0.28 -0.03 0.00 -0.62 0.00 0.00 57.03 55.75 2kkl h ASP 127 Cb 1.18 -0.25 -0.12 0.00 0.18 0.00 0.00 39.33 40.32 2kkl h ASP 127 CO 0.62 1.02 0.14 -0.94 -3.12 0.00 0.00 179.24 176.97 2kkl s SER 128 N -6.67 -0.48 0.02 6.45 1.04 -1.26 -2.29 113.70 110.51 2kkl s SER 128 Ca -0.10 -0.09 -0.29 0.00 0.48 0.00 0.00 55.95 55.95 2kkl s SER 128 Cb 0.13 0.57 0.10 0.00 0.10 0.00 0.00 66.02 66.92 2kkl s SER 128 CO 0.84 -0.95 1.00 0.00 0.98 0.00 0.00 173.24 175.12 2kkl s ALA 129 N -3.77 -1.85 -0.05 5.32 0.00 -1.11 -5.05 121.76 115.26 2kkl s ALA 129 Ca 0.02 0.77 -0.24 0.00 0.00 0.00 0.00 51.96 52.51 2kkl s ALA 129 Cb -0.00 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 2kkl s ALA 129 CO -0.12 -0.83 0.74 0.08 0.00 0.00 0.00 175.76 175.62 2kkl s VAL 130 N -3.00 5.00 0.45 0.00 1.01 -1.26 -2.63 120.40 119.97 2kkl s VAL 130 Ca 0.09 1.53 -0.21 0.00 0.00 0.00 0.00 61.98 63.40 2kkl s VAL 130 Cb -0.00 -4.08 -0.10 0.00 0.00 0.00 0.00 36.38 32.20 2kkl s VAL 130 CO -0.04 0.25 0.99 -0.76 0.00 0.00 0.00 175.10 175.54 2kkl s LEU 131 N 0.74 3.90 0.02 3.92 1.43 -0.83 -4.98 118.68 122.87 2kkl s LEU 131 Ca 0.39 1.78 -0.10 0.00 -1.03 0.00 0.00 54.13 55.17 2kkl s LEU 131 Cb -0.18 -4.55 0.01 0.00 0.03 0.00 0.00 46.19 41.50 2kkl s LEU 131 CO 0.20 -0.53 0.21 0.00 0.23 0.00 0.00 176.35 176.46 2kkl s ALA 132 N -2.11 -0.48 0.24 4.21 0.00 -1.26 -4.58 121.76 117.79 2kkl s ALA 132 Ca 0.64 -0.07 -0.31 0.00 0.00 0.00 0.00 51.96 52.22 2kkl s ALA 132 Cb -0.12 0.18 -0.13 0.00 0.00 0.00 0.00 23.12 23.05 2kkl s ALA 132 CO 0.16 -0.29 1.45 -1.71 0.00 0.00 0.00 175.76 175.37 2kkl n ASN 133 N 1.05 2.95 0.00 0.00 5.15 -1.26 -1.69 115.26 121.46 2kkl n ASN 133 Ca -0.21 1.14 0.00 0.00 -0.60 0.00 0.00 54.58 54.91 2kkl n ASN 133 Cb 0.57 -1.45 0.00 0.00 -0.53 0.00 0.00 39.78 38.37 2kkl n ASN 133 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kkl n GLY 134 N 2.28 0.66 3.93 8.20 0.00 -1.17 -4.99 105.19 114.10 2kkl n GLY 134 Ca 0.12 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.23 5.81 -0.07 1.61 1.01 -0.68 -4.98 116.67 117.14 2kkl s ASP 135 Ca 0.00 0.53 0.05 0.00 0.71 0.00 0.00 52.55 53.84 2kkl s ASP 135 Cb 0.00 -1.70 -0.00 0.00 1.01 0.00 0.00 42.92 42.23 2kkl s ASP 135 CO 0.00 -0.81 -0.23 -1.61 0.21 0.00 0.00 175.17 172.73 2kkl s GLU 136 N -4.73 2.62 -0.07 8.23 2.02 -1.26 -1.50 118.70 124.00 2kkl s GLU 136 Ca 0.50 -0.84 0.04 0.00 0.02 0.00 0.00 54.97 54.69 2kkl s GLU 136 Cb -0.10 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 32.02 2kkl s GLU 136 CO 0.41 0.27 -0.20 0.08 0.02 0.00 0.00 175.26 175.85 2kkl s VAL 137 N 0.10 1.68 -0.22 2.63 1.01 -0.82 -4.02 120.40 120.77 2kkl s VAL 137 Ca -0.10 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 2kkl s VAL 137 Cb -0.15 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.77 2kkl s VAL 137 CO 0.06 0.48 -0.08 -1.58 0.00 0.00 0.00 175.10 173.97 2kkl s GLN 138 N 0.31 3.17 -0.19 2.72 0.74 -1.18 -1.73 119.66 123.50 2kkl s GLN 138 Ca -0.13 -0.75 -0.03 0.00 0.05 0.00 0.00 55.36 54.50 2kkl s GLN 138 Cb -0.16 -2.90 -0.01 0.00 1.10 0.00 0.00 33.01 31.04 2kkl s GLN 138 CO 0.06 -0.24 -0.06 0.42 -0.55 0.00 0.00 175.29 174.92 2kkl s ILE 139 N 1.40 3.43 0.00 -2.34 -1.09 -0.62 -3.78 121.20 118.20 2kkl s ILE 139 Ca 0.05 -0.49 0.00 0.00 -2.23 0.00 0.00 60.65 57.97 2kkl s ILE 139 Cb -0.14 -2.53 0.00 0.00 -1.58 0.00 0.00 42.46 38.21 2kkl s ILE 139 CO -0.06 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 174.72 2kkl n GLY 140 N 4.27 2.81 0.64 6.18 0.00 -1.26 0.19 105.19 118.02 2kkl n GLY 140 Ca -0.18 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 1.70 -3.64 1.61 4.81 -1.26 -4.90 118.16 130.48 2kkl n LYS 141 Ca 0.00 -1.29 -0.36 0.00 -0.87 0.00 0.00 58.31 55.79 2kkl n LYS 141 Cb 0.00 -1.47 -0.06 0.00 0.02 0.00 0.00 35.03 33.52 2kkl n LYS 141 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2kkl s PHE 142 N -2.19 3.63 -0.13 5.64 0.08 0.13 -5.07 117.98 120.07 2kkl s PHE 142 Ca 0.27 0.77 -0.04 0.00 0.12 0.00 0.00 56.93 58.06 2kkl s PHE 142 Cb 0.20 -2.13 -0.03 0.00 -0.57 0.00 0.00 43.02 40.48 2kkl s PHE 142 CO 0.41 0.62 -0.01 1.03 -0.10 0.00 0.00 175.22 177.17 2kkl s ARG 143 N -1.46 3.46 0.09 0.44 0.52 -1.26 -1.59 118.95 119.15 2kkl s ARG 143 Ca 0.26 -0.45 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 2kkl s ARG 143 Cb -0.14 -2.91 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 2kkl s ARG 143 CO 0.14 0.42 -0.03 -0.51 0.02 0.00 0.00 175.30 175.34 2kkl s LEU 144 N -0.11 2.36 -0.06 2.53 1.02 -0.71 -1.97 118.68 121.74 2kkl s LEU 144 Ca 0.04 -1.05 0.04 0.00 0.02 0.00 0.00 54.13 53.18 2kkl s LEU 144 Cb -0.13 0.11 0.00 0.00 0.02 0.00 0.00 46.19 46.20 2kkl s LEU 144 CO 0.02 -0.58 -0.18 0.54 0.02 0.00 0.00 176.35 176.18 2kkl s VAL 145 N -3.83 1.54 -0.30 -1.59 0.11 -0.52 -1.94 120.40 113.87 2kkl s VAL 145 Ca 0.12 -0.74 -0.20 0.00 -2.93 0.00 0.00 61.98 58.23 2kkl s VAL 145 Cb 0.07 -1.34 -0.01 0.00 -1.53 0.00 0.00 36.38 33.57 2kkl s VAL 145 CO -0.06 0.44 0.64 0.12 -3.33 0.00 0.00 175.10 172.92 2kkl s PHE 146 N 0.29 3.22 0.16 1.54 5.36 -0.56 -2.63 117.98 125.36 2kkl s PHE 146 Ca -0.11 0.61 0.02 0.00 -0.96 0.00 0.00 56.93 56.49 2kkl s PHE 146 Cb -0.15 -2.99 -0.05 0.00 -0.34 0.00 0.00 43.02 39.50 2kkl s PHE 146 CO 0.04 -0.47 -0.01 -0.51 -1.46 0.00 0.00 175.22 172.81 2kkl s LEU 147 N 2.62 2.18 0.00 6.12 1.43 -1.11 -2.31 118.68 127.61 2kkl s LEU 147 Ca 0.26 -1.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.21 2kkl s LEU 147 Cb -0.15 -0.07 0.00 0.00 0.03 0.00 0.00 46.19 46.00 2kkl s LEU 147 CO 0.12 -0.55 0.00 0.35 0.23 0.00 0.00 176.35 176.50 2kkl n THR 148 N -0.21 0.00 -1.13 5.49 -2.24 -1.26 -2.60 114.28 112.33 2kkl n THR 148 Ca -0.07 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.38 2kkl n THR 148 Cb 0.63 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.75 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 0.64 0.49 3.71 3.38 0.00 -1.26 -4.88 105.19 107.28 2kkl n GLY 149 Ca 0.00 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 2kkl n GLY 149 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kkl s HIS 150 N 10.81 3.48 0.23 1.61 -0.00 -1.26 -5.00 115.29 125.17 2kkl s HIS 150 Ca 0.72 1.42 -0.30 0.00 -0.00 0.00 0.00 55.06 56.90 2kkl s HIS 150 Cb 0.06 -3.32 -0.09 0.00 -0.00 0.00 0.00 32.58 29.23 2kkl s HIS 150 CO 0.24 -0.87 0.99 0.15 -0.00 0.00 0.00 174.74 175.25 2kkl s LYS 151 N 1.17 4.77 0.00 -0.38 1.02 -1.26 -4.97 119.74 120.09 2kkl s LYS 151 Ca 0.56 1.58 0.00 0.00 0.02 0.00 0.00 55.97 58.13 2kkl s LYS 151 Cb -0.26 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 2kkl s LYS 151 CO 0.28 0.39 0.00 0.94 -0.92 0.00 0.00 175.35 176.04 2kkl n GLN 152 N 1.58 0.00 -3.30 1.68 7.27 -1.26 -5.06 117.38 118.29 2kkl n GLN 152 Ca -0.01 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 56.92 2kkl n GLN 152 Cb 0.47 -0.09 0.04 0.00 2.41 0.00 0.00 30.24 33.07 2kkl n GLN 152 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kkl n GLY 153 N 3.18 -1.17 3.76 1.69 0.00 -1.26 -4.90 105.19 106.50 2kkl n GLY 153 Ca 0.00 0.53 -0.39 0.00 0.00 0.00 0.00 46.02 46.17 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 -4.31 3.63 -1.85 1.61 2.56 -1.26 -1.85 118.70 117.22 2kkl s GLU 154 Ca 0.32 2.14 0.00 0.00 0.00 0.00 0.00 54.97 57.43 2kkl s GLU 154 Cb -0.06 -2.52 0.00 0.00 2.00 0.00 0.00 34.13 33.55 2kkl s GLU 154 CO 0.77 -0.77 0.00 -3.47 -0.56 0.00 0.00 175.26 171.24 2kkl n ASP 155 N -0.40 -4.91 -2.05 -1.70 2.03 -1.26 -2.30 116.55 105.96 2kkl n ASP 155 Ca 0.07 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.74 2kkl n ASP 155 Cb 0.45 -4.33 0.00 0.00 -0.72 0.00 0.00 41.12 36.52 2kkl n ASP 155 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2kkl n LEU 156 N -2.37 0.00 -4.70 -2.67 4.77 -0.77 -4.80 117.00 106.46 2kkl n LEU 156 Ca -0.19 0.36 -0.42 0.00 -0.03 0.00 0.00 56.01 55.73 2kkl n LEU 156 Cb 0.61 -0.84 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 2kkl n LEU 156 CO 0.27 0.00 0.99 -0.70 -1.33 0.00 0.00 177.39 176.63 2kkl s GLU 157 N -4.07 4.35 -0.19 3.23 -6.30 -0.97 -4.82 118.70 109.93 2kkl s GLU 157 Ca 0.00 1.85 0.03 0.00 -2.50 0.00 0.00 54.97 54.35 2kkl s GLU 157 Cb 0.00 -3.45 0.12 0.00 0.00 0.00 0.00 34.13 30.80 2kkl s GLU 157 CO 0.00 -0.42 0.93 -2.39 0.02 0.00 0.00 175.26 173.40 2kkl n HIS 158 N 4.65 -0.65 -0.20 5.30 1.44 -1.26 -4.88 115.22 119.62 2kkl n HIS 158 Ca 0.11 -0.66 -0.06 0.00 -2.01 0.00 0.00 57.72 55.09 2kkl n HIS 158 Cb 0.45 1.01 0.03 0.00 0.12 0.00 0.00 29.99 31.60 2kkl n HIS 158 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2kkl h HIS 159 N 0.70 0.72 -2.63 -1.40 3.86 -2.00 -3.45 115.15 110.95 2kkl h HIS 159 Ca -0.30 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 58.85 2kkl h HIS 159 Cb 1.15 -0.24 -0.18 0.00 1.06 0.00 0.00 27.41 29.20 2kkl h HIS 159 CO -0.11 0.46 -0.03 -3.38 0.86 0.00 0.00 177.93 175.74 2kkl s HIS 160 N -6.14 -0.41 -0.05 2.45 -3.43 -1.26 -5.17 115.29 101.29 2kkl s HIS 160 Ca -0.13 0.60 -0.21 0.00 -0.80 0.00 0.00 55.06 54.51 2kkl s HIS 160 Cb 0.13 0.27 0.04 0.00 -1.43 0.00 0.00 32.58 31.59 2kkl s HIS 160 CO 0.75 -0.54 0.47 -3.38 -2.00 0.00 0.00 174.74 170.04 2kkl s HIS 161 N -1.69 -0.40 -0.15 0.38 -3.43 -1.26 -5.17 115.29 103.57 2kkl s HIS 161 Ca -0.10 0.71 -0.14 0.00 -0.80 0.00 0.00 55.06 54.73 2kkl s HIS 161 Cb -0.02 0.23 0.04 0.00 -1.43 0.00 0.00 32.58 31.40 2kkl s HIS 161 CO 0.04 -0.46 0.41 -1.58 -2.00 0.00 0.00 174.74 171.15 2kkl s HIS 162 N -1.10 -0.45 0.00 0.38 2.46 -1.26 -5.27 115.29 110.05 2kkl s HIS 162 Ca -0.11 1.08 0.00 0.00 0.47 0.00 0.00 55.06 56.50 2kkl s HIS 162 Cb -0.03 0.15 0.00 0.00 -0.13 0.00 0.00 32.58 32.57 2kkl s HIS 162 CO 0.06 -0.22 0.00 1.58 -2.47 0.00 0.00 174.74 173.69