#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkl n PHE 25 N 0.00 -2.66 -2.16 3.52 7.35 -1.26 -4.66 117.46 117.58 2kkl n PHE 25 Ca 0.00 0.73 -0.37 0.00 -0.76 0.00 0.00 57.45 57.05 2kkl n PHE 25 Cb 0.00 -1.35 0.00 0.00 0.35 0.00 0.00 39.48 38.48 2kkl n PHE 25 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2kkl s ARG 26 N -1.48 3.62 0.15 -4.13 0.52 -1.26 -4.83 118.95 111.54 2kkl s ARG 26 Ca 0.00 1.86 0.00 0.00 -0.52 0.00 0.00 55.73 57.07 2kkl s ARG 26 Cb 0.00 -2.37 0.00 0.00 0.52 0.00 0.00 34.95 33.10 2kkl s ARG 26 CO 0.00 -0.69 0.00 0.00 0.02 0.00 0.00 175.30 174.63 2kkl n ALA 27 N -0.61 0.00 0.10 2.13 0.00 -1.26 -4.34 120.51 116.52 2kkl n ALA 27 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.47 2kkl n ALA 27 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 2kkl n ALA 27 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2kkl h ASP 28 N 0.00 -0.26 -1.53 0.00 3.32 -1.88 -3.45 116.42 112.63 2kkl h ASP 28 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2kkl h ASP 28 Cb 0.00 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2kkl h ASP 28 CO 0.00 0.06 0.00 2.22 -1.72 0.00 0.00 179.24 179.80 2kkl n PHE 29 N -4.17 -1.27 -2.70 4.55 -1.74 -1.26 -4.97 117.46 105.90 2kkl n PHE 29 Ca -0.04 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.43 2kkl n PHE 29 Cb 0.12 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.09 2kkl n PHE 29 CO 0.00 0.00 0.00 -0.48 -0.56 0.00 0.00 176.76 175.72 2kkl s LEU 30 N 0.00 3.86 0.65 5.98 2.34 -1.26 -4.68 118.68 125.57 2kkl s LEU 30 Ca 0.00 -0.98 -0.12 0.00 0.06 0.00 0.00 54.13 53.10 2kkl s LEU 30 Cb 0.00 -2.49 -0.02 0.00 -0.56 0.00 0.00 46.19 43.12 2kkl s LEU 30 CO 0.00 -1.56 1.05 -0.94 -1.06 0.00 0.00 176.35 173.83 2kkl s SER 31 N 3.90 5.76 0.22 1.48 1.04 -1.26 -4.84 113.70 119.99 2kkl s SER 31 Ca 0.32 1.57 0.00 0.00 0.48 0.00 0.00 55.95 58.32 2kkl s SER 31 Cb -0.10 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2kkl s SER 31 CO 0.07 -1.19 0.00 1.21 0.98 0.00 0.00 173.24 174.31 2kkl n GLU 32 N -2.82 -3.21 0.00 4.02 4.07 -1.26 -4.63 120.64 116.81 2kkl n GLU 32 Ca 0.07 2.33 0.14 0.00 -0.06 0.00 0.00 57.16 59.65 2kkl n GLU 32 Cb 0.54 -2.53 0.61 0.00 -0.06 0.00 0.00 31.44 30.00 2kkl n GLU 32 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2kkl n LEU 33 N 0.26 0.69 -0.51 4.31 4.77 -1.26 -3.21 117.00 122.05 2kkl n LEU 33 Ca 0.00 -0.14 0.12 0.00 -0.03 0.00 0.00 56.01 55.96 2kkl n LEU 33 Cb 0.00 -0.11 0.44 0.00 -2.33 0.00 0.00 43.42 41.42 2kkl n LEU 33 CO 0.00 0.12 0.82 0.47 -1.33 0.00 0.00 177.39 177.47 2kkl n ASP 34 N -0.68 1.56 -0.28 -1.43 8.00 -1.26 -4.41 116.55 118.04 2kkl n ASP 34 Ca 0.17 -1.62 -0.10 0.00 0.71 0.00 0.00 54.79 53.95 2kkl n ASP 34 Cb 0.28 -0.06 -0.09 0.00 -0.02 0.00 0.00 41.12 41.23 2kkl n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kkl h ALA 35 N 4.16 -0.55 -3.00 2.24 0.00 -1.81 -3.40 119.26 116.91 2kkl h ALA 35 Ca 0.00 0.07 -0.55 0.00 0.00 0.00 0.00 54.91 54.43 2kkl h ALA 35 Cb 0.48 1.24 0.13 0.00 0.00 0.00 0.00 17.79 19.64 2kkl h ALA 35 CO 0.00 -0.86 0.64 -1.25 0.00 0.00 0.00 179.25 177.78 2kkl s PRO 36 N -5.16 3.39 -0.29 0.00 0.04 -1.26 -5.02 135.00 126.69 2kkl s PRO 36 Ca -0.11 2.29 -0.17 0.00 0.04 0.00 0.00 61.00 63.06 2kkl s PRO 36 Cb 0.09 -2.43 0.15 0.00 0.04 0.00 0.00 34.50 32.35 2kkl s PRO 36 CO 0.53 -1.01 1.00 0.00 0.04 0.00 0.00 177.00 177.55 2kkl s ALA 37 N -1.27 -2.28 0.00 8.56 0.00 -1.26 -5.03 121.76 120.48 2kkl s ALA 37 Ca 0.67 2.17 0.00 0.00 0.00 0.00 0.00 51.96 54.80 2kkl s ALA 37 Cb -0.41 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.00 2kkl s ALA 37 CO 0.51 -0.34 0.00 0.00 0.00 0.00 0.00 175.76 175.93 2kkl n GLN 38 N 3.57 0.58 0.00 0.00 10.64 -1.26 -5.06 117.38 125.85 2kkl n GLN 38 Ca -0.18 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 54.99 2kkl n GLN 38 Cb 0.57 -0.14 0.00 0.00 -0.86 0.00 0.00 30.24 29.82 2kkl n GLN 38 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kkl n ALA 39 N -0.32 0.00 -1.56 2.61 0.00 -1.26 -4.65 120.51 115.33 2kkl n ALA 39 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2kkl n ALA 39 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 2kkl n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kkl n GLY 40 N 0.00 0.39 0.18 0.00 0.00 -1.26 -4.91 105.19 99.59 2kkl n GLY 40 Ca 0.00 -0.94 0.13 0.00 0.00 0.00 0.00 46.02 45.21 2kkl n GLY 40 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kkl n THR 41 N -3.52 0.00 -1.53 2.61 -2.24 -1.26 -4.80 114.28 103.54 2kkl n THR 41 Ca -0.01 -0.09 -0.17 0.00 -2.27 0.00 0.00 64.05 61.51 2kkl n THR 41 Cb 0.29 0.16 -0.14 0.00 -2.10 0.00 0.00 70.33 68.53 2kkl n THR 41 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2kkl n GLU 42 N -0.81 0.31 0.00 -0.78 0.28 -1.26 -4.64 120.64 113.74 2kkl n GLU 42 Ca 0.13 -0.50 0.14 0.00 -0.16 0.00 0.00 57.16 56.77 2kkl n GLU 42 Cb 0.31 -2.54 0.53 0.00 1.43 0.00 0.00 31.44 31.17 2kkl n GLU 42 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2kkl n SER 43 N 13.08 0.69 -2.84 -1.84 3.41 -1.26 -4.98 113.62 119.88 2kkl n SER 43 Ca 0.55 -0.71 -0.07 0.00 -0.26 0.00 0.00 58.87 58.38 2kkl n SER 43 Cb 0.31 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.27 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 -0.82 -2.98 -2.91 7.33 0.00 -1.26 -5.01 120.51 114.86 2kkl n ALA 44 Ca 0.14 1.07 -0.22 0.00 0.00 0.00 0.00 53.44 54.43 2kkl n ALA 44 Cb 0.30 -3.56 -0.02 0.00 0.00 0.00 0.00 19.45 16.17 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 -2.61 5.23 0.00 0.00 -7.23 -1.26 -5.08 120.40 109.45 2kkl s VAL 45 Ca 0.23 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 2kkl s VAL 45 Cb -0.06 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 33.03 2kkl s VAL 45 CO 0.75 -0.35 0.00 -1.20 -0.31 0.00 0.00 175.10 173.99 2kkl n SER 46 N -1.40 0.00 -0.09 4.85 7.64 -1.26 -4.80 113.62 118.56 2kkl n SER 46 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2kkl n SER 46 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 2kkl n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kkl n GLY 47 N 0.00 -1.56 3.64 0.23 0.00 -1.26 -3.74 105.19 102.50 2kkl n GLY 47 Ca 0.00 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 2kkl n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kkl s VAL 48 N 0.00 4.73 0.00 1.61 1.01 -1.26 -4.14 120.40 122.35 2kkl s VAL 48 Ca 0.00 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.62 2kkl s VAL 48 Cb 0.00 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.16 2kkl s VAL 48 CO 0.00 -0.20 0.00 -1.84 0.00 0.00 0.00 175.10 173.06 2kkl n GLU 49 N 6.27 -1.88 -1.01 2.72 0.28 -1.26 -4.45 120.64 121.31 2kkl n GLU 49 Ca 0.08 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.20 2kkl n GLU 49 Cb 0.47 -3.51 -0.04 0.00 1.43 0.00 0.00 31.44 29.80 2kkl n GLU 49 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kkl n GLY 50 N -0.24 -1.41 2.73 -1.84 0.00 -1.25 -4.73 105.19 98.45 2kkl n GLY 50 Ca 0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.15 1.59 -0.30 0.99 -0.00 -1.26 -4.94 117.00 109.93 2kkl n LEU 51 Ca -0.01 -3.44 -0.03 0.00 -0.00 0.00 0.00 56.01 52.53 2kkl n LEU 51 Cb 0.61 0.43 0.02 0.00 -0.00 0.00 0.00 43.42 44.48 2kkl n LEU 51 CO 0.01 1.34 0.60 1.55 -0.00 0.00 0.00 177.39 180.89 2kkl h PRO 52 N 2.81 -0.08 0.00 1.47 0.13 -1.93 -3.23 132.00 131.17 2kkl h PRO 52 Ca -0.11 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2kkl h PRO 52 Cb 1.22 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2kkl h PRO 52 CO 0.37 -0.05 0.00 -0.35 -0.23 0.00 0.00 178.00 177.73 2kkl n PRO 53 N -5.45 0.00 -2.67 1.56 -0.04 -1.26 -4.90 135.00 122.25 2kkl n PRO 53 Ca 0.07 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.49 2kkl n PRO 53 Cb 0.38 -0.91 0.08 0.00 -0.04 0.00 0.00 33.50 33.00 2kkl n PRO 53 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kkl n GLY 54 N -0.31 -0.99 3.74 0.55 0.00 -1.22 -5.06 105.19 101.89 2kkl n GLY 54 Ca 0.00 0.52 -0.35 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.63 3.93 0.25 0.99 1.02 -1.25 -4.99 118.68 117.00 2kkl s LEU 55 Ca 0.16 0.24 0.09 0.00 0.02 0.00 0.00 54.13 54.64 2kkl s LEU 55 Cb 0.24 -1.95 -0.05 0.00 0.02 0.00 0.00 46.19 44.45 2kkl s LEU 55 CO -0.14 0.32 -0.16 0.00 0.02 0.00 0.00 176.35 176.40 2kkl s ALA 56 N -0.54 2.37 0.09 4.21 0.00 -1.26 -4.78 121.76 121.85 2kkl s ALA 56 Ca 0.11 -1.79 0.06 0.00 0.00 0.00 0.00 51.96 50.34 2kkl s ALA 56 Cb -0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 2kkl s ALA 56 CO 0.02 0.14 -0.17 -0.51 0.00 0.00 0.00 175.76 175.24 2kkl s LEU 57 N -3.42 2.29 -0.07 0.00 1.02 -1.10 -2.56 118.68 114.85 2kkl s LEU 57 Ca 0.26 -0.65 0.03 0.00 0.02 0.00 0.00 54.13 53.79 2kkl s LEU 57 Cb -0.02 -0.66 -0.02 0.00 0.02 0.00 0.00 46.19 45.51 2kkl s LEU 57 CO 0.11 -0.03 -0.16 -0.76 0.02 0.00 0.00 176.35 175.53 2kkl s LEU 58 N -1.84 2.59 -0.06 1.79 1.43 -1.04 -2.64 118.68 118.92 2kkl s LEU 58 Ca 0.02 -0.30 0.04 0.00 -1.03 0.00 0.00 54.13 52.86 2kkl s LEU 58 Cb -0.10 -1.53 -0.00 0.00 0.03 0.00 0.00 46.19 44.59 2kkl s LEU 58 CO 0.03 0.27 -0.19 -0.69 0.23 0.00 0.00 176.35 176.01 2kkl s VAL 59 N -0.30 1.59 -0.26 -1.59 1.01 -1.07 -1.83 120.40 117.95 2kkl s VAL 59 Ca 0.02 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 2kkl s VAL 59 Cb -0.13 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 2kkl s VAL 59 CO 0.03 0.45 1.74 -0.69 0.00 0.00 0.00 175.10 176.63 2kkl s VAL 60 N 0.14 3.53 0.08 2.92 1.01 -1.09 -1.60 120.40 125.39 2kkl s VAL 60 Ca -0.07 0.58 -0.20 0.00 0.00 0.00 0.00 61.98 62.28 2kkl s VAL 60 Cb -0.13 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 32.53 2kkl s VAL 60 CO 0.04 -0.33 1.57 0.50 0.00 0.00 0.00 175.10 176.88 2kkl h LYS 61 N 11.92 0.34 -3.83 2.72 1.63 -1.22 -3.39 116.57 124.75 2kkl h LYS 61 Ca -0.35 -0.08 -0.12 0.00 -0.85 0.00 0.00 60.65 59.25 2kkl h LYS 61 Cb 1.17 -0.04 -0.17 0.00 -0.60 0.00 0.00 32.23 32.58 2kkl h LYS 61 CO 1.01 0.46 -0.53 1.03 -3.45 0.00 0.00 179.45 177.98 2kkl s ARG 62 N -5.26 0.60 0.00 1.90 1.81 -1.24 -4.98 118.95 111.77 2kkl s ARG 62 Ca -0.14 -0.79 0.00 0.00 -1.72 0.00 0.00 55.73 53.09 2kkl s ARG 62 Cb 0.07 0.23 0.00 0.00 -0.45 0.00 0.00 34.95 34.80 2kkl s ARG 62 CO 0.72 -0.15 0.00 0.41 -0.68 0.00 0.00 175.30 175.60 2kkl n GLY 63 N 0.71 3.35 0.29 -3.53 0.00 -1.26 -3.70 105.19 101.05 2kkl n GLY 63 Ca -0.19 -1.56 0.19 0.00 0.00 0.00 0.00 46.02 44.46 2kkl n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kkl h PRO 64 N 0.00 0.00 -0.77 1.61 0.13 -2.01 -2.63 132.00 128.34 2kkl h PRO 64 Ca 0.00 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.68 2kkl h PRO 64 Cb 0.00 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 30.88 2kkl h PRO 64 CO 0.00 0.00 0.32 0.27 -0.23 0.00 0.00 178.00 178.36 2kkl n ASN 65 N -3.01 4.40 -4.59 1.44 0.23 -1.26 -5.03 115.26 107.44 2kkl n ASN 65 Ca -0.01 -3.73 -0.40 0.00 -0.53 0.00 0.00 54.58 49.91 2kkl n ASN 65 Cb 0.22 -0.76 0.02 0.00 -2.08 0.00 0.00 39.78 37.18 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 -1.04 0.01 0.00 -2.53 0.00 -0.99 -2.37 120.51 113.58 2kkl n ALA 66 Ca 0.51 0.15 0.00 0.00 0.00 0.00 0.00 53.44 54.09 2kkl n ALA 66 Cb 1.16 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 1.29 3.20 3.77 0.00 0.00 -1.26 -5.05 105.19 107.14 2kkl n GLY 67 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 2kkl n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kkl s SER 68 N -1.10 6.26 0.04 1.61 0.01 -1.00 -4.92 113.70 114.60 2kkl s SER 68 Ca 0.00 2.31 -0.03 0.00 1.31 0.00 0.00 55.95 59.54 2kkl s SER 68 Cb 0.00 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.60 2kkl s SER 68 CO 0.00 -0.86 0.03 0.00 0.41 0.00 0.00 173.24 172.82 2kkl s ARG 69 N -2.61 0.56 0.05 12.44 1.70 -1.26 -2.67 118.95 127.15 2kkl s ARG 69 Ca 0.62 -0.91 0.05 0.00 -0.47 0.00 0.00 55.73 55.02 2kkl s ARG 69 Cb -0.29 0.21 -0.02 0.00 -0.57 0.00 0.00 34.95 34.27 2kkl s ARG 69 CO 0.35 -0.12 -0.15 -0.06 -1.08 0.00 0.00 175.30 174.24 2kkl s PHE 70 N -2.94 1.30 -0.21 5.89 0.08 -0.76 -4.98 117.98 116.36 2kkl s PHE 70 Ca -0.02 -0.38 -0.06 0.00 0.12 0.00 0.00 56.93 56.58 2kkl s PHE 70 Cb 0.01 -0.76 -0.03 0.00 -0.57 0.00 0.00 43.02 41.67 2kkl s PHE 70 CO -0.06 0.06 0.04 -1.17 -0.10 0.00 0.00 175.22 173.98 2kkl s LEU 71 N -1.33 3.47 -1.24 -0.37 2.96 -1.26 -2.49 118.68 118.41 2kkl s LEU 71 Ca 0.01 -0.12 -0.08 0.00 -0.22 0.00 0.00 54.13 53.73 2kkl s LEU 71 Cb -0.09 -1.89 0.19 0.00 0.50 0.00 0.00 46.19 44.90 2kkl s LEU 71 CO 0.02 0.07 1.86 0.18 -1.32 0.00 0.00 176.35 177.16 2kkl n LEU 72 N 4.23 6.79 -1.13 -0.68 4.77 -1.06 -4.61 117.00 125.31 2kkl n LEU 72 Ca -0.17 -4.80 0.12 0.00 -0.03 0.00 0.00 56.01 51.13 2kkl n LEU 72 Cb 0.52 -1.42 0.24 0.00 -2.33 0.00 0.00 43.42 40.43 2kkl n LEU 72 CO 0.32 1.53 0.72 -0.90 -1.33 0.00 0.00 177.39 177.74 2kkl n ASP 73 N 3.06 3.36 -4.28 -1.43 5.68 -1.26 -4.47 116.55 117.21 2kkl n ASP 73 Ca 0.40 -1.97 -0.32 0.00 -0.50 0.00 0.00 54.79 52.40 2kkl n ASP 73 Cb 0.34 -0.27 -0.16 0.00 -1.14 0.00 0.00 41.12 39.89 2kkl n ASP 73 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 2kkl s GLN 74 N -1.45 2.56 0.26 0.11 0.74 -1.26 -5.10 119.66 115.51 2kkl s GLN 74 Ca 0.40 -0.89 -0.30 0.00 0.05 0.00 0.00 55.36 54.62 2kkl s GLN 74 Cb 0.23 -2.19 -0.10 0.00 1.10 0.00 0.00 33.01 32.05 2kkl s GLN 74 CO 0.31 0.40 1.38 0.00 -0.55 0.00 0.00 175.29 176.83 2kkl s ALA 75 N -0.19 3.57 -0.36 1.58 0.00 -1.26 -4.17 121.76 120.94 2kkl s ALA 75 Ca -0.02 1.26 -0.07 0.00 0.00 0.00 0.00 51.96 53.13 2kkl s ALA 75 Cb -0.14 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.47 2kkl s ALA 75 CO 0.03 -0.67 0.25 -0.89 0.00 0.00 0.00 175.76 174.48 2kkl n ILE 76 N 2.04-11.60 -3.72 0.00 2.08 -1.25 -4.98 119.36 101.93 2kkl n ILE 76 Ca 0.05 1.44 -0.37 0.00 0.56 0.00 0.00 62.75 64.43 2kkl n ILE 76 Cb 0.41 -7.08 -0.11 0.00 -0.75 0.00 0.00 39.64 32.11 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 -2.03 4.85 0.56 1.39 2.01 -0.73 -4.95 115.64 116.74 2kkl s THR 77 Ca 0.10 0.01 -0.07 0.00 0.31 0.00 0.00 61.69 62.05 2kkl s THR 77 Cb -0.03 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 2kkl s THR 77 CO 0.77 0.32 0.88 -0.44 -0.69 0.00 0.00 174.62 175.47 2kkl s SER 78 N 1.45 5.94 -0.09 3.53 0.01 -1.26 -1.14 113.70 122.13 2kkl s SER 78 Ca 0.06 0.92 0.02 0.00 1.31 0.00 0.00 55.95 58.26 2kkl s SER 78 Cb -0.15 -2.04 0.01 0.00 0.21 0.00 0.00 66.02 64.05 2kkl s SER 78 CO 0.06 -0.85 -0.14 0.00 0.41 0.00 0.00 173.24 172.71 2kkl s ALA 79 N -2.93 1.55 0.00 1.44 0.00 -0.86 -4.49 121.76 116.46 2kkl s ALA 79 Ca 0.52 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.85 2kkl s ALA 79 Cb -0.11 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.28 2kkl s ALA 79 CO 0.47 -0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.64 2kkl n GLY 80 N 4.06 0.13 3.65 0.00 0.00 -1.25 -3.46 105.19 108.31 2kkl n GLY 80 Ca -0.20 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.00 3.74 0.00 1.61 0.52 -1.23 -3.33 118.95 118.26 2kkl s ARG 81 Ca 0.00 -0.35 0.00 0.00 -0.52 0.00 0.00 55.73 54.86 2kkl s ARG 81 Cb 0.00 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.36 2kkl s ARG 81 CO 0.00 0.39 0.00 -2.39 0.02 0.00 0.00 175.30 173.32 2kkl n HIS 82 N 3.16 0.00 0.27 -0.53 1.44 -1.26 -4.85 115.22 113.45 2kkl n HIS 82 Ca -0.17 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.68 2kkl n HIS 82 Cb 0.53 0.00 0.72 0.00 0.12 0.00 0.00 29.99 31.35 2kkl n HIS 82 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 2kkl h PRO 83 N 0.00 0.00 0.00 -1.40 0.13 -2.00 -3.44 132.00 125.29 2kkl h PRO 83 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kkl h PRO 83 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kkl h PRO 83 CO 0.00 0.11 0.00 -0.25 -0.23 0.00 0.00 178.00 177.63 2kkl n ASP 84 N -3.44 0.00 -1.97 1.44 8.00 -1.26 -5.05 116.55 114.28 2kkl n ASP 84 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2kkl n ASP 84 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 2kkl n ASP 84 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2kkl n SER 85 N 0.00 -9.55 -0.24 -2.24 2.88 -1.26 -4.77 113.62 98.44 2kkl n SER 85 Ca 0.00 1.41 -0.07 0.00 -1.33 0.00 0.00 58.87 58.88 2kkl n SER 85 Cb 0.00 -5.24 0.06 0.00 -0.75 0.00 0.00 64.21 58.28 2kkl n SER 85 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2kkl h ASP 86 N 3.32 1.06 -3.27 -3.46 3.58 -1.90 -3.40 116.42 112.35 2kkl h ASP 86 Ca 0.00 -0.23 -0.57 0.00 0.42 0.00 0.00 57.03 56.65 2kkl h ASP 86 Cb 0.00 -0.28 -0.05 0.00 1.72 0.00 0.00 39.33 40.72 2kkl h ASP 86 CO 0.00 1.02 0.49 -0.63 -2.88 0.00 0.00 179.24 177.24 2kkl s ILE 87 N -5.27 4.83 -0.48 2.25 1.01 -1.26 -4.92 121.20 117.36 2kkl s ILE 87 Ca -0.12 1.85 0.03 0.00 0.00 0.00 0.00 60.65 62.42 2kkl s ILE 87 Cb 0.15 -4.23 0.15 0.00 0.01 0.00 0.00 42.46 38.53 2kkl s ILE 87 CO 0.85 0.01 0.30 0.12 0.00 0.00 0.00 174.94 176.22 2kkl s PHE 88 N 2.09 2.06 -0.58 3.97 5.36 -1.26 -4.35 117.98 125.27 2kkl s PHE 88 Ca 0.44 -2.55 -0.18 0.00 -0.96 0.00 0.00 56.93 53.68 2kkl s PHE 88 Cb -0.17 -1.82 0.12 0.00 -0.34 0.00 0.00 43.02 40.80 2kkl s PHE 88 CO 0.15 -0.75 0.64 -0.51 -1.46 0.00 0.00 175.22 173.29 2kkl s LEU 89 N -0.01 5.70 -0.91 6.12 1.43 -1.21 -4.99 118.68 124.81 2kkl s LEU 89 Ca 0.22 -1.60 -0.22 0.00 -1.03 0.00 0.00 54.13 51.50 2kkl s LEU 89 Cb -0.15 -2.27 0.08 0.00 0.03 0.00 0.00 46.19 43.88 2kkl s LEU 89 CO -0.07 -1.01 1.25 -0.62 0.23 0.00 0.00 176.35 176.13 2kkl s ASP 90 N 3.59 6.46 -0.00 2.29 2.15 -1.26 -4.52 116.67 125.37 2kkl s ASP 90 Ca 0.09 -1.47 -0.21 0.00 0.43 0.00 0.00 52.55 51.38 2kkl s ASP 90 Cb -0.26 -2.49 0.04 0.00 -0.30 0.00 0.00 42.92 39.92 2kkl s ASP 90 CO 0.05 -1.39 0.47 -0.62 -0.17 0.00 0.00 175.17 173.51 2kkl s ASP 91 N 4.19 -0.38 0.37 -0.34 2.15 -1.26 -5.03 116.67 116.37 2kkl s ASP 91 Ca 0.37 0.26 0.18 0.00 0.43 0.00 0.00 52.55 53.79 2kkl s ASP 91 Cb -0.05 0.43 0.70 0.00 -0.30 0.00 0.00 42.92 43.70 2kkl s ASP 91 CO -0.04 -0.58 1.75 -0.37 -0.17 0.00 0.00 175.17 175.76 2kkl h VAL 92 N 3.26 0.97 -0.25 1.11 -1.51 -2.01 -2.89 116.25 114.93 2kkl h VAL 92 Ca -0.29 -1.50 -0.07 0.00 -1.23 0.00 0.00 66.70 63.60 2kkl h VAL 92 Cb 1.18 1.89 -0.01 0.00 -2.13 0.00 0.00 31.29 32.21 2kkl h VAL 92 CO 0.41 0.38 -0.15 0.71 -1.23 0.00 0.00 177.57 177.68 2kkl h THR 93 N 0.00 1.23 -3.70 7.19 1.35 -1.97 -3.40 112.91 113.61 2kkl h THR 93 Ca -0.00 -1.03 -0.62 0.00 -0.55 0.00 0.00 66.41 64.20 2kkl h THR 93 Cb 0.86 1.21 -0.15 0.00 -1.73 0.00 0.00 68.15 68.34 2kkl h THR 93 CO 0.05 0.33 -0.33 -0.69 -0.25 0.00 0.00 175.52 174.63 2kkl s VAL 94 N -4.67 5.23 1.06 6.82 1.01 -1.09 -4.83 120.40 123.93 2kkl s VAL 94 Ca -0.07 0.45 -0.18 0.00 0.00 0.00 0.00 61.98 62.19 2kkl s VAL 94 Cb 0.15 -3.64 0.25 0.00 0.00 0.00 0.00 36.38 33.13 2kkl s VAL 94 CO 0.77 0.22 1.29 -0.44 0.00 0.00 0.00 175.10 176.94 2kkl s SER 95 N 1.49 2.21 0.20 3.32 0.01 -1.26 -4.62 113.70 115.04 2kkl s SER 95 Ca 0.13 0.25 -0.11 0.00 1.31 0.00 0.00 55.95 57.52 2kkl s SER 95 Cb -0.15 -0.24 0.17 0.00 0.21 0.00 0.00 66.02 66.01 2kkl s SER 95 CO 0.09 -3.30 1.82 -0.09 0.41 0.00 0.00 173.24 172.18 2kkl h ARG 96 N -2.03 0.69 -2.45 12.44 2.43 -1.88 -3.34 114.38 120.23 2kkl h ARG 96 Ca -0.44 -0.04 -0.59 0.00 -0.81 0.00 0.00 59.98 58.10 2kkl h ARG 96 Cb 1.23 -0.16 -0.39 0.00 -0.42 0.00 0.00 29.97 30.24 2kkl h ARG 96 CO 0.31 0.45 -0.91 0.54 -1.51 0.00 0.00 179.97 178.86 2kkl n ARG 97 N -4.76 0.62 0.05 0.20 1.74 -1.26 -3.50 116.66 109.75 2kkl n ARG 97 Ca 0.06 -3.47 0.11 0.00 -0.77 0.00 0.00 57.85 53.79 2kkl n ARG 97 Cb 0.11 -1.75 -0.06 0.00 -1.02 0.00 0.00 32.46 29.73 2kkl n ARG 97 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2kkl n HIS 98 N 2.46 0.47 -3.67 -1.55 -0.00 -1.22 -4.90 115.22 106.80 2kkl n HIS 98 Ca 0.27 0.14 -0.14 0.00 0.46 0.00 0.00 57.72 58.45 2kkl n HIS 98 Cb 0.46 -0.68 -0.07 0.00 -0.12 0.00 0.00 29.99 29.58 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 -3.39 -1.06 -0.00 1.57 0.00 -1.26 -4.16 121.76 113.46 2kkl s ALA 99 Ca -0.03 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.42 2kkl s ALA 99 Cb 0.12 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.44 2kkl s ALA 99 CO 0.84 -0.38 -0.00 -2.00 0.00 0.00 0.00 175.76 174.22 2kkl s GLU 100 N -1.87 0.04 -0.25 0.00 2.12 -1.10 -2.04 118.70 115.60 2kkl s GLU 100 Ca -0.09 -0.01 -0.07 0.00 0.36 0.00 0.00 54.97 55.16 2kkl s GLU 100 Cb -0.02 -0.05 -0.03 0.00 0.26 0.00 0.00 34.13 34.29 2kkl s GLU 100 CO 0.02 0.00 0.07 -0.06 -0.54 0.00 0.00 175.26 174.75 2kkl s PHE 101 N 0.03 3.08 -0.12 5.30 0.08 -0.30 -1.99 117.98 124.06 2kkl s PHE 101 Ca -0.00 -0.46 -0.03 0.00 0.12 0.00 0.00 56.93 56.55 2kkl s PHE 101 Cb -0.01 -2.24 -0.03 0.00 -0.57 0.00 0.00 43.02 40.18 2kkl s PHE 101 CO -0.00 -0.38 -0.01 1.03 -0.10 0.00 0.00 175.22 175.76 2kkl s ARG 102 N 1.61 3.35 -0.21 0.44 0.52 -0.91 -1.77 118.95 121.98 2kkl s ARG 102 Ca 0.06 -0.45 -0.08 0.00 -0.52 0.00 0.00 55.73 54.74 2kkl s ARG 102 Cb -0.15 -2.87 -0.04 0.00 0.52 0.00 0.00 34.95 32.40 2kkl s ARG 102 CO 0.03 0.47 0.09 -1.17 0.02 0.00 0.00 175.30 174.74 2kkl s LEU 103 N -0.25 3.80 0.00 2.53 2.96 -1.26 -0.21 118.68 126.24 2kkl s LEU 103 Ca 0.05 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.99 2kkl s LEU 103 Cb -0.12 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.58 2kkl s LEU 103 CO 0.02 0.10 0.00 1.21 -1.32 0.00 0.00 176.35 176.37 2kkl n GLU 104 N 4.01 0.36 -0.00 1.98 4.07 -1.26 -4.91 120.64 124.89 2kkl n GLU 104 Ca -0.16 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.82 2kkl n GLU 104 Cb 0.52 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.82 2kkl n GLU 104 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 2kkl h ASN 105 N 0.00 0.06 0.00 4.31 -0.73 -1.98 -3.44 115.58 113.80 2kkl h ASN 105 Ca 0.00 -0.28 0.00 0.00 1.87 0.00 0.00 56.30 57.89 2kkl h ASN 105 Cb 0.00 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.57 2kkl h ASN 105 CO 0.00 0.32 0.00 -3.20 -0.37 0.00 0.00 177.43 174.18 2kkl n ASN 106 N -4.91 0.00 0.00 1.15 4.05 -1.26 -5.00 115.26 109.29 2kkl n ASN 106 Ca -0.07 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.96 2kkl n ASN 106 Cb 0.16 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.17 2kkl n ASN 106 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2kkl n GLU 107 N 0.00 1.14 -1.49 1.20 -0.58 -1.26 -5.07 120.64 114.58 2kkl n GLU 107 Ca 0.00 -0.05 0.02 0.00 -0.42 0.00 0.00 57.16 56.71 2kkl n GLU 107 Cb 0.00 -0.33 -0.01 0.00 -0.57 0.00 0.00 31.44 30.53 2kkl n GLU 107 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2kkl n PHE 108 N -0.18 -3.65 -3.97 -0.32 3.72 -1.26 -3.23 117.46 108.58 2kkl n PHE 108 Ca 0.00 1.98 -0.08 0.00 -0.05 0.00 0.00 57.45 59.30 2kkl n PHE 108 Cb 0.07 -3.09 -0.09 0.00 -0.94 0.00 0.00 39.48 35.43 2kkl n PHE 108 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2kkl s ASN 109 N -5.50 0.30 -0.02 4.37 0.01 0.70 -0.74 114.94 114.07 2kkl s ASN 109 Ca 0.00 -0.82 0.04 0.00 -0.71 0.00 0.00 52.86 51.37 2kkl s ASN 109 Cb 0.00 0.27 -0.00 0.00 0.41 0.00 0.00 41.25 41.93 2kkl s ASN 109 CO 0.00 -0.66 -0.13 0.54 -1.51 0.00 0.00 177.10 175.34 2kkl s VAL 110 N -3.86 1.03 0.10 1.60 0.11 -0.74 -2.15 120.40 116.49 2kkl s VAL 110 Ca 0.06 -0.52 0.03 0.00 -2.93 0.00 0.00 61.98 58.62 2kkl s VAL 110 Cb 0.06 -0.89 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 2kkl s VAL 110 CO -0.10 0.30 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.19 2kkl s VAL 111 N -0.05 0.88 -1.57 2.04 1.01 -0.84 -2.53 120.40 119.34 2kkl s VAL 111 Ca 0.00 -1.77 0.05 0.00 0.00 0.00 0.00 61.98 60.26 2kkl s VAL 111 Cb -0.08 -1.50 0.17 0.00 0.00 0.00 0.00 36.38 34.97 2kkl s VAL 111 CO 0.00 -0.68 1.01 -0.90 0.00 0.00 0.00 175.10 174.53 2kkl n ASP 112 N 0.29 1.37 -1.74 3.32 5.75 -1.21 -2.71 116.55 121.63 2kkl n ASP 112 Ca -0.14 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 52.56 2kkl n ASP 112 Cb 0.59 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 2kkl n ASP 112 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 2kkl n VAL 113 N 0.06 0.00 0.00 2.12 3.14 -1.26 -4.26 118.33 118.13 2kkl n VAL 113 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 2kkl n VAL 113 Cb 0.27 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.05 2kkl n VAL 113 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kkl n GLY 114 N -0.28 -0.87 1.69 7.55 0.00 -1.26 -4.94 105.19 107.08 2kkl n GLY 114 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.05 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 0.00 -8.79 -4.73 1.61 7.64 -1.26 -4.47 113.62 103.62 2kkl n SER 115 Ca 0.00 1.41 -0.41 0.00 1.01 0.00 0.00 58.87 60.87 2kkl n SER 115 Cb 0.00 -5.17 -0.04 0.00 -1.01 0.00 0.00 64.21 57.99 2kkl n SER 115 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2kkl s LEU 116 N -3.90 4.49 -1.41 -3.43 2.96 -1.26 -3.57 118.68 112.56 2kkl s LEU 116 Ca 0.00 1.88 -0.10 0.00 -0.22 0.00 0.00 54.13 55.69 2kkl s LEU 116 Cb 0.00 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 43.13 2kkl s LEU 116 CO 0.00 -0.12 1.13 -3.20 -1.32 0.00 0.00 176.35 172.84 2kkl n ASN 117 N 2.72 -5.93 0.00 3.68 5.15 -1.26 -4.98 115.26 114.64 2kkl n ASN 117 Ca 0.03 -0.61 0.00 0.00 -0.60 0.00 0.00 54.58 53.40 2kkl n ASN 117 Cb 0.48 -4.70 0.00 0.00 -0.53 0.00 0.00 39.78 35.03 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 -1.92 0.13 3.77 8.20 0.00 -1.23 -4.91 105.19 109.23 2kkl n GLY 118 Ca 0.02 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 2.31 0.07 2.61 2.01 -1.26 -5.02 115.64 116.36 2kkl s THR 119 Ca 0.00 0.30 -0.03 0.00 0.31 0.00 0.00 61.69 62.27 2kkl s THR 119 Cb 0.00 -3.19 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 2kkl s THR 119 CO 0.00 0.07 0.04 -0.72 -0.69 0.00 0.00 174.62 173.31 2kkl s TYR 120 N -0.90 0.44 -0.15 4.92 -0.85 -1.26 -4.48 117.35 115.08 2kkl s TYR 120 Ca 0.53 -0.95 -0.02 0.00 -0.52 0.00 0.00 57.07 56.12 2kkl s TYR 120 Cb -0.44 -0.30 -0.02 0.00 0.38 0.00 0.00 41.96 41.58 2kkl s TYR 120 CO 0.57 -0.43 -0.09 0.54 -1.52 0.00 0.00 175.55 174.61 2kkl s VAL 121 N -3.91 3.37 0.00 -3.49 0.11 -1.26 -4.07 120.40 111.15 2kkl s VAL 121 Ca 0.08 -0.54 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 2kkl s VAL 121 Cb 0.07 -2.45 0.00 0.00 -1.53 0.00 0.00 36.38 32.47 2kkl s VAL 121 CO -0.09 0.51 0.00 -3.20 -3.33 0.00 0.00 175.10 168.98 2kkl n ASN 122 N 3.62 -5.09 0.07 3.54 2.85 -1.25 -3.34 115.26 115.65 2kkl n ASN 122 Ca -0.18 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.40 2kkl n ASN 122 Cb 0.52 0.00 0.44 0.00 1.24 0.00 0.00 39.78 41.98 2kkl n ASN 122 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2kkl n ARG 123 N -1.45 0.13 -2.93 1.20 1.74 -1.26 -4.63 116.66 109.46 2kkl n ARG 123 Ca 0.00 0.29 -0.42 0.00 -0.77 0.00 0.00 57.85 56.95 2kkl n ARG 123 Cb 0.00 -1.71 -0.05 0.00 -1.02 0.00 0.00 32.46 29.68 2kkl n ARG 123 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2kkl s GLU 124 N -3.15 3.92 -0.16 5.56 0.41 -1.21 -5.02 118.70 119.05 2kkl s GLU 124 Ca 0.07 0.56 -0.29 0.00 -0.41 0.00 0.00 54.97 54.89 2kkl s GLU 124 Cb 0.11 -3.75 -0.01 0.00 -1.78 0.00 0.00 34.13 28.70 2kkl s GLU 124 CO 0.40 -0.73 1.16 -1.25 -0.49 0.00 0.00 175.26 174.35 2kkl s PRO 125 N 3.03 4.28 0.07 0.39 0.04 -1.26 -4.01 135.00 137.55 2kkl s PRO 125 Ca 0.33 1.54 0.01 0.00 0.04 0.00 0.00 61.00 62.93 2kkl s PRO 125 Cb -0.14 -3.66 -0.04 0.00 0.04 0.00 0.00 34.50 30.70 2kkl s PRO 125 CO 0.14 -0.59 -0.06 0.14 0.04 0.00 0.00 177.00 176.66 2kkl s VAL 126 N 3.00 0.57 0.16 -0.36 -7.23 -1.26 -5.02 120.40 110.25 2kkl s VAL 126 Ca 0.51 -1.63 -0.05 0.00 -1.81 0.00 0.00 61.98 58.99 2kkl s VAL 126 Cb -0.20 -1.30 -0.11 0.00 0.56 0.00 0.00 36.38 35.33 2kkl s VAL 126 CO 0.14 -0.73 1.41 -2.24 -0.31 0.00 0.00 175.10 173.37 2kkl h ASP 127 N 3.49 0.65 -4.98 4.85 2.03 -1.96 -3.43 116.42 117.08 2kkl h ASP 127 Ca -0.35 -0.41 0.01 0.00 -0.73 0.00 0.00 57.03 55.55 2kkl h ASP 127 Cb 1.17 -0.19 -0.11 0.00 -0.83 0.00 0.00 39.33 39.37 2kkl h ASP 127 CO 0.57 1.16 0.24 -0.94 -1.03 0.00 0.00 179.24 179.24 2kkl s SER 128 N -7.00 -0.50 -0.00 4.15 1.04 -1.26 -3.30 113.70 106.83 2kkl s SER 128 Ca -0.07 -0.11 -0.28 0.00 0.48 0.00 0.00 55.95 55.97 2kkl s SER 128 Cb 0.10 0.61 0.10 0.00 0.10 0.00 0.00 66.02 66.92 2kkl s SER 128 CO 0.86 -1.01 0.83 0.00 0.98 0.00 0.00 173.24 174.90 2kkl s ALA 129 N -3.73 -1.79 0.08 5.32 0.00 -1.05 -5.02 121.76 115.56 2kkl s ALA 129 Ca 0.03 1.03 -0.29 0.00 0.00 0.00 0.00 51.96 52.74 2kkl s ALA 129 Cb -0.02 0.30 -0.05 0.00 0.00 0.00 0.00 23.12 23.35 2kkl s ALA 129 CO -0.09 -0.62 0.91 0.08 0.00 0.00 0.00 175.76 176.04 2kkl s VAL 130 N -2.77 4.61 0.38 0.00 1.01 -1.26 -1.79 120.40 120.57 2kkl s VAL 130 Ca 0.02 1.95 -0.22 0.00 0.00 0.00 0.00 61.98 63.73 2kkl s VAL 130 Cb -0.01 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 32.00 2kkl s VAL 130 CO -0.07 0.31 0.92 -0.76 0.00 0.00 0.00 175.10 175.50 2kkl s LEU 131 N 0.11 4.09 0.09 3.92 1.43 0.08 -4.91 118.68 123.49 2kkl s LEU 131 Ca 0.45 1.68 -0.08 0.00 -1.03 0.00 0.00 54.13 55.16 2kkl s LEU 131 Cb -0.22 -4.30 -0.01 0.00 0.03 0.00 0.00 46.19 41.69 2kkl s LEU 131 CO 0.28 -0.24 0.18 0.00 0.23 0.00 0.00 176.35 176.79 2kkl s ALA 132 N -1.96 -0.11 0.30 4.21 0.00 -1.26 -4.50 121.76 118.43 2kkl s ALA 132 Ca 0.57 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 51.51 2kkl s ALA 132 Cb -0.12 0.52 -0.12 0.00 0.00 0.00 0.00 23.12 23.39 2kkl s ALA 132 CO 0.17 -0.51 1.47 0.09 0.00 0.00 0.00 175.76 176.97 2kkl n ASN 133 N -0.06 3.33 0.00 0.00 3.02 -1.26 -1.93 115.26 118.35 2kkl n ASN 133 Ca -0.14 1.17 0.00 0.00 -0.03 0.00 0.00 54.58 55.58 2kkl n ASN 133 Cb 0.62 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.26 2kkl n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kkl n GLY 134 N 1.61 0.41 3.91 7.41 0.00 -1.14 -5.02 105.19 112.37 2kkl n GLY 134 Ca 0.07 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.84 6.41 -0.07 1.61 1.01 -0.81 -4.99 116.67 116.99 2kkl s ASP 135 Ca 0.00 0.61 0.02 0.00 0.71 0.00 0.00 52.55 53.89 2kkl s ASP 135 Cb 0.00 -2.10 -0.02 0.00 1.01 0.00 0.00 42.92 41.80 2kkl s ASP 135 CO 0.00 -0.17 -0.12 -1.61 0.21 0.00 0.00 175.17 173.47 2kkl s GLU 136 N -3.59 2.78 -0.06 8.23 8.01 -1.26 -1.51 118.70 131.29 2kkl s GLU 136 Ca 0.42 -0.66 0.05 0.00 0.01 0.00 0.00 54.97 54.79 2kkl s GLU 136 Cb -0.11 -2.49 -0.00 0.00 -4.31 0.00 0.00 34.13 27.22 2kkl s GLU 136 CO 0.30 0.53 -0.21 0.08 0.01 0.00 0.00 175.26 175.97 2kkl s VAL 137 N -0.47 1.75 -0.18 2.63 1.01 0.78 -3.89 120.40 122.02 2kkl s VAL 137 Ca 0.06 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.17 2kkl s VAL 137 Cb -0.12 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.79 2kkl s VAL 137 CO 0.02 0.49 -0.12 -1.58 0.00 0.00 0.00 175.10 173.91 2kkl s GLN 138 N 0.10 2.17 -0.09 2.72 0.74 -1.26 -0.57 119.66 123.48 2kkl s GLN 138 Ca -0.08 -0.75 0.02 0.00 0.05 0.00 0.00 55.36 54.60 2kkl s GLN 138 Cb -0.14 -2.32 0.01 0.00 1.10 0.00 0.00 33.01 31.66 2kkl s GLN 138 CO 0.04 -0.35 -0.15 0.42 -0.55 0.00 0.00 175.29 174.70 2kkl s ILE 139 N 1.42 1.39 0.00 -2.34 1.01 -0.90 -4.35 121.20 117.43 2kkl s ILE 139 Ca 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.06 2kkl s ILE 139 Cb -0.15 -1.26 0.00 0.00 0.01 0.00 0.00 42.46 41.06 2kkl s ILE 139 CO -0.09 0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.87 2kkl n GLY 140 N 3.94 2.87 0.40 6.18 0.00 -1.26 -1.38 105.19 115.95 2kkl n GLY 140 Ca -0.21 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 1.10 -3.55 1.61 3.00 -1.26 -4.88 118.16 128.18 2kkl n LYS 141 Ca 0.00 -0.81 -0.37 0.00 -0.00 0.00 0.00 58.31 57.13 2kkl n LYS 141 Cb 0.00 -1.48 -0.07 0.00 0.00 0.00 0.00 35.03 33.48 2kkl n LYS 141 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2kkl s PHE 142 N -2.46 3.51 -0.15 5.64 0.40 -0.48 -4.93 117.98 119.51 2kkl s PHE 142 Ca 0.22 0.66 -0.06 0.00 -0.60 0.00 0.00 56.93 57.15 2kkl s PHE 142 Cb 0.19 -2.31 -0.04 0.00 0.51 0.00 0.00 43.02 41.37 2kkl s PHE 142 CO 0.54 0.33 0.07 1.03 0.70 0.00 0.00 175.22 177.89 2kkl s ARG 143 N 0.13 3.70 0.12 0.44 0.52 -1.24 -2.11 118.95 120.51 2kkl s ARG 143 Ca 0.18 -0.31 0.05 0.00 -0.52 0.00 0.00 55.73 55.14 2kkl s ARG 143 Cb -0.14 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.16 2kkl s ARG 143 CO 0.06 0.46 -0.13 -0.51 0.02 0.00 0.00 175.30 175.19 2kkl s LEU 144 N -0.14 2.41 -0.05 2.53 1.02 0.27 -0.70 118.68 124.01 2kkl s LEU 144 Ca 0.08 -0.81 0.04 0.00 0.02 0.00 0.00 54.13 53.46 2kkl s LEU 144 Cb -0.12 -0.48 -0.00 0.00 0.02 0.00 0.00 46.19 45.60 2kkl s LEU 144 CO 0.01 -0.18 -0.18 0.54 0.02 0.00 0.00 176.35 176.56 2kkl s VAL 145 N -2.23 1.54 -0.39 -1.59 0.11 -0.63 -0.16 120.40 117.05 2kkl s VAL 145 Ca 0.08 -0.77 -0.20 0.00 -2.93 0.00 0.00 61.98 58.16 2kkl s VAL 145 Cb -0.04 -1.33 0.01 0.00 -1.53 0.00 0.00 36.38 33.49 2kkl s VAL 145 CO 0.02 0.44 0.61 0.12 -3.33 0.00 0.00 175.10 172.96 2kkl s PHE 146 N 0.11 3.12 0.04 1.54 2.19 -0.57 -2.61 117.98 121.80 2kkl s PHE 146 Ca -0.06 0.11 0.03 0.00 0.33 0.00 0.00 56.93 57.33 2kkl s PHE 146 Cb -0.13 -3.19 -0.02 0.00 -1.31 0.00 0.00 43.02 38.37 2kkl s PHE 146 CO 0.03 -0.72 -0.10 -0.51 1.83 0.00 0.00 175.22 175.75 2kkl s LEU 147 N 2.68 2.23 -0.17 6.12 1.43 -1.08 -2.77 118.68 127.12 2kkl s LEU 147 Ca 0.22 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 2kkl s LEU 147 Cb -0.15 -0.30 0.01 0.00 0.03 0.00 0.00 46.19 45.79 2kkl s LEU 147 CO 0.16 -0.13 -0.17 0.42 0.23 0.00 0.00 176.35 176.87 2kkl s THR 148 N -1.19 2.42 0.00 5.49 -4.23 -1.26 -2.70 115.64 114.17 2kkl s THR 148 Ca -0.06 -0.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 2kkl s THR 148 Cb -0.09 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.73 2kkl s THR 148 CO 0.01 0.52 0.00 0.61 -0.54 0.00 0.00 174.62 175.22 2kkl n GLY 149 N 4.41 0.39 7.00 3.99 0.00 -1.26 -4.78 105.19 114.95 2kkl n GLY 149 Ca -0.20 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2kkl n GLY 149 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kkl n HIS 150 N 0.00 0.00 -1.80 1.61 -0.00 -1.26 -4.53 115.22 109.24 2kkl n HIS 150 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.31 2kkl n HIS 150 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 29.98 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 0.00 4.13 0.08 1.57 2.20 -1.26 -4.84 119.74 121.63 2kkl s LYS 151 Ca 0.00 2.56 -0.31 0.00 -0.36 0.00 0.00 55.97 57.86 2kkl s LYS 151 Cb 0.00 -3.02 -0.08 0.00 -1.51 0.00 0.00 37.83 33.22 2kkl s LYS 151 CO 0.00 -0.60 1.44 -0.65 -0.36 0.00 0.00 175.35 175.18 2kkl s GLN 152 N -0.73 4.29 0.76 4.03 -0.21 -1.26 -4.60 119.66 121.94 2kkl s GLN 152 Ca 0.61 2.10 -0.12 0.00 0.02 0.00 0.00 55.36 57.98 2kkl s GLN 152 Cb -0.47 -3.37 0.05 0.00 1.00 0.00 0.00 33.01 30.22 2kkl s GLN 152 CO 0.50 -0.52 1.11 0.20 -2.12 0.00 0.00 175.29 174.45 2kkl s GLY 153 N 1.47 1.62 0.00 3.09 0.00 -1.26 -4.78 107.32 107.45 2kkl s GLY 153 Ca 0.66 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.04 2kkl s GLY 153 CO 0.30 0.08 0.00 -2.21 0.00 0.00 0.00 173.10 171.26 2kkl n GLU 154 N -3.24 0.00 -3.30 2.90 4.07 -1.26 -4.48 120.64 115.33 2kkl n GLU 154 Ca 0.07 0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 56.90 2kkl n GLU 154 Cb 0.57 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.98 2kkl n GLU 154 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2kkl n ASP 155 N -1.09 -6.25 -4.77 4.31 8.00 -1.26 -4.84 116.55 110.65 2kkl n ASP 155 Ca 0.00 0.11 -0.39 0.00 0.71 0.00 0.00 54.79 55.22 2kkl n ASP 155 Cb 0.00 -2.61 -0.01 0.00 -0.02 0.00 0.00 41.12 38.47 2kkl n ASP 155 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2kkl s LEU 156 N -2.31 4.21 0.00 0.64 1.43 -1.26 -4.91 118.68 116.48 2kkl s LEU 156 Ca 0.30 2.48 0.00 0.00 -1.03 0.00 0.00 54.13 55.88 2kkl s LEU 156 Cb -0.04 -3.96 0.00 0.00 0.03 0.00 0.00 46.19 42.22 2kkl s LEU 156 CO 0.76 -0.74 0.00 1.21 0.23 0.00 0.00 176.35 177.82 2kkl n GLU 157 N 0.13 0.00 0.00 1.70 4.07 -1.26 -5.09 120.64 120.19 2kkl n GLU 157 Ca 0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.14 2kkl n GLU 157 Cb 0.45 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.83 2kkl n GLU 157 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 2kkl n HIS 158 N 0.00 0.00 -1.19 4.31 -0.00 -1.26 -4.85 115.22 112.23 2kkl n HIS 158 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kkl n HIS 158 Cb 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2kkl n HIS 158 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kkl n HIS 159 N 0.64 -1.25 -1.17 1.57 -0.00 -1.26 -4.91 115.22 108.83 2kkl n HIS 159 Ca 0.00 0.01 0.15 0.00 -0.00 0.00 0.00 57.72 57.87 2kkl n HIS 159 Cb 0.00 0.06 -0.05 0.00 -0.00 0.00 0.00 29.99 30.01 2kkl n HIS 159 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kkl n HIS 160 N -0.49 -2.84 -4.29 1.57 8.25 -1.26 -4.80 115.22 111.36 2kkl n HIS 160 Ca 0.00 1.45 -0.35 0.00 -0.26 0.00 0.00 57.72 58.56 2kkl n HIS 160 Cb 0.00 -2.58 -0.09 0.00 1.12 0.00 0.00 29.99 28.44 2kkl n HIS 160 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kkl s HIS 161 N -2.59 3.20 0.27 4.41 3.76 -1.26 -5.08 115.29 118.00 2kkl s HIS 161 Ca 0.00 0.18 -0.29 0.00 -0.15 0.00 0.00 55.06 54.79 2kkl s HIS 161 Cb 0.00 -1.85 -0.09 0.00 1.11 0.00 0.00 32.58 31.75 2kkl s HIS 161 CO 0.00 0.43 1.14 -1.01 -0.85 0.00 0.00 174.74 174.44 2kkl s HIS 162 N -0.67 3.50 -1.07 1.40 0.09 -1.26 -5.26 115.29 112.02 2kkl s HIS 162 Ca 0.11 1.63 0.00 0.00 -0.00 0.00 0.00 55.06 56.79 2kkl s HIS 162 Cb -0.12 -3.35 0.00 0.00 -0.00 0.00 0.00 32.58 29.11 2kkl s HIS 162 CO 0.02 -0.79 0.27 1.58 -0.00 0.00 0.00 174.74 175.82