#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 0.21 -2.11 6.34 1.16 -1.26 -5.03 117.46 116.77 2kkl n PHE 25 Ca 0.00 0.06 0.00 0.00 -1.87 0.00 0.00 57.45 55.64 2kkl n PHE 25 Cb 0.00 -0.45 0.00 0.00 -1.61 0.00 0.00 39.48 37.42 2kkl n PHE 25 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 2kkl n ARG 26 N -1.72 -4.42 0.00 3.97 1.74 -1.26 -4.99 116.66 109.98 2kkl n ARG 26 Ca 0.05 3.14 0.00 0.00 -0.77 0.00 0.00 57.85 60.27 2kkl n ARG 26 Cb 0.37 -3.70 0.00 0.00 -1.02 0.00 0.00 32.46 28.11 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 1.89 0.00 1.57 7.54 0.00 -1.26 -4.73 120.51 125.51 2kkl n ALA 27 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2kkl n ALA 27 Cb 0.00 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.24 2kkl n ALA 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kkl n ASP 28 N 0.00 0.00 0.00 0.00 8.00 -1.26 -4.85 116.55 118.44 2kkl n ASP 28 Ca 0.00 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.05 2kkl n ASP 28 Cb 0.00 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 2kkl n ASP 28 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 2kkl n PHE 29 N -1.17 0.00 -1.90 1.24 -1.74 -1.26 -5.11 117.46 107.52 2kkl n PHE 29 Ca 0.17 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.06 2kkl n PHE 29 Cb 0.18 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.18 2kkl n PHE 29 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 2kkl n LEU 30 N 0.00 -6.27 0.00 5.98 4.77 -1.26 -4.32 117.00 115.90 2kkl n LEU 30 Ca 0.00 3.34 0.00 0.00 -0.03 0.00 0.00 56.01 59.32 2kkl n LEU 30 Cb 0.00 -3.24 0.00 0.00 -2.33 0.00 0.00 43.42 37.85 2kkl n LEU 30 CO 0.00 -0.58 0.00 -0.24 -1.33 0.00 0.00 177.39 175.24 2kkl n SER 31 N 0.44 0.00 -3.14 -1.43 2.88 -1.26 -4.76 113.62 106.34 2kkl n SER 31 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 2kkl n SER 31 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2kkl n SER 31 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2kkl n GLU 32 N 0.00 -1.57 -1.10 -1.46 4.07 -1.26 -4.76 120.64 114.56 2kkl n GLU 32 Ca 0.00 1.50 0.15 0.00 -0.06 0.00 0.00 57.16 58.75 2kkl n GLU 32 Cb 0.00 -5.12 -0.04 0.00 -0.06 0.00 0.00 31.44 26.23 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 -1.57 0.00 -4.57 4.31 4.77 -1.26 -4.54 117.00 114.15 2kkl n LEU 33 Ca -0.03 1.19 -0.43 0.00 -0.03 0.00 0.00 56.01 56.71 2kkl n LEU 33 Cb 0.53 -3.37 -0.05 0.00 -2.33 0.00 0.00 43.42 38.20 2kkl n LEU 33 CO 0.54 -2.41 0.64 -1.81 -1.33 0.00 0.00 177.39 173.02 2kkl s ASP 34 N -6.19 6.50 1.04 -1.43 1.01 -1.26 -5.04 116.67 111.29 2kkl s ASP 34 Ca 0.00 0.14 -0.15 0.00 0.71 0.00 0.00 52.55 53.25 2kkl s ASP 34 Cb 0.00 -2.41 0.20 0.00 1.01 0.00 0.00 42.92 41.72 2kkl s ASP 34 CO 0.00 -0.90 1.09 0.00 0.21 0.00 0.00 175.17 175.57 2kkl n ALA 35 N 6.77 -1.56 -1.75 5.23 0.00 -1.26 -4.99 120.51 122.94 2kkl n ALA 35 Ca 0.04 -1.44 -0.39 0.00 0.00 0.00 0.00 53.44 51.65 2kkl n ALA 35 Cb 0.48 -0.08 0.03 0.00 0.00 0.00 0.00 19.45 19.89 2kkl n ALA 35 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2kkl n PRO 36 N -3.53 1.93 0.02 0.00 -0.02 -1.26 -4.92 135.00 127.22 2kkl n PRO 36 Ca 0.14 0.70 0.13 0.00 -2.02 0.00 0.00 63.50 62.44 2kkl n PRO 36 Cb 0.49 -2.60 0.34 0.00 -0.02 0.00 0.00 33.50 31.70 2kkl n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kkl n ALA 37 N -0.71 3.05 -0.59 3.55 0.00 -1.26 -4.92 120.51 119.63 2kkl n ALA 37 Ca 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2kkl n ALA 37 Cb 0.43 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2kkl n ALA 37 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2kkl n GLN 38 N -1.65 0.00 0.31 0.00 7.27 -1.26 -1.73 117.38 120.33 2kkl n GLN 38 Ca 0.06 0.00 0.20 0.00 0.07 0.00 0.00 57.00 57.32 2kkl n GLN 38 Cb 0.36 0.00 1.01 0.00 2.41 0.00 0.00 30.24 34.02 2kkl n GLN 38 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2kkl h ALA 39 N -0.59 1.10 0.00 1.69 0.00 -2.03 -3.45 119.26 115.97 2kkl h ALA 39 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kkl h ALA 39 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2kkl h ALA 39 CO 0.00 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.68 2kkl n GLY 40 N -0.83 0.66 0.24 0.00 0.00 -0.70 -4.96 105.19 99.60 2kkl n GLY 40 Ca -0.02 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.17 2kkl n GLY 40 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2kkl h THR 41 N 0.00 1.22 -2.51 2.61 2.02 -1.88 -3.43 112.91 110.93 2kkl h THR 41 Ca 0.00 -0.68 -0.60 0.00 0.77 0.00 0.00 66.41 65.90 2kkl h THR 41 Cb 0.40 0.67 0.11 0.00 -1.74 0.00 0.00 68.15 67.59 2kkl h THR 41 CO 0.00 0.26 0.16 1.21 0.37 0.00 0.00 175.52 177.52 2kkl n GLU 42 N -4.52 1.40 -3.59 6.66 2.13 -1.26 -3.00 120.64 118.46 2kkl n GLU 42 Ca 0.02 0.49 -0.18 0.00 0.66 0.00 0.00 57.16 58.15 2kkl n GLU 42 Cb 0.16 -1.88 0.00 0.00 0.27 0.00 0.00 31.44 29.99 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 1.22 -5.65 -0.04 4.31 3.41 -1.26 -4.95 113.62 110.66 2kkl n SER 43 Ca 0.09 -0.71 -0.04 0.00 -0.26 0.00 0.00 58.87 57.95 2kkl n SER 43 Cb 0.32 -2.64 -0.01 0.00 -0.26 0.00 0.00 64.21 61.62 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 -2.35 0.83 -2.70 7.33 0.00 -1.16 -4.95 120.51 117.51 2kkl n ALA 44 Ca -0.23 -0.49 -0.40 0.00 0.00 0.00 0.00 53.44 52.32 2kkl n ALA 44 Cb 0.64 0.03 -0.05 0.00 0.00 0.00 0.00 19.45 20.08 2kkl n ALA 44 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2kkl s VAL 45 N -1.99 5.04 0.70 0.00 1.01 -1.26 -5.05 120.40 118.85 2kkl s VAL 45 Ca -0.14 1.36 -0.11 0.00 0.00 0.00 0.00 61.98 63.09 2kkl s VAL 45 Cb 0.02 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.40 2kkl s VAL 45 CO 0.21 0.21 1.08 -0.94 0.00 0.00 0.00 175.10 175.66 2kkl s SER 46 N 0.88 5.49 0.98 3.32 1.04 -1.26 -5.05 113.70 119.10 2kkl s SER 46 Ca 0.35 1.29 -0.07 0.00 0.48 0.00 0.00 55.95 57.99 2kkl s SER 46 Cb -0.17 -2.15 0.10 0.00 0.10 0.00 0.00 66.02 63.90 2kkl s SER 46 CO 0.15 -1.33 0.60 0.61 0.98 0.00 0.00 173.24 174.26 2kkl n GLY 47 N -2.68 -1.21 3.63 7.32 0.00 -1.26 -5.00 105.19 106.00 2kkl n GLY 47 Ca 0.07 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.28 4.78 0.00 1.61 1.01 -1.26 -4.85 120.40 119.41 2kkl s VAL 48 Ca 0.34 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.74 2kkl s VAL 48 Cb -0.01 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.21 2kkl s VAL 48 CO 0.24 -0.20 0.00 1.21 0.00 0.00 0.00 175.10 176.35 2kkl n GLU 49 N 6.19 0.00 -0.08 2.72 2.13 -1.26 -1.15 120.64 129.18 2kkl n GLU 49 Ca 0.05 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.73 2kkl n GLU 49 Cb 0.48 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.12 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 0.00 -0.25 3.47 8.31 0.00 -1.26 -5.06 105.19 110.40 2kkl n GLY 50 Ca 0.00 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.32 -3.10 -4.84 0.99 -0.00 -0.30 -4.82 117.00 101.61 2kkl n LEU 51 Ca -0.31 -0.19 -0.29 0.00 -0.00 0.00 0.00 56.01 55.22 2kkl n LEU 51 Cb 0.78 -1.84 0.11 0.00 -0.00 0.00 0.00 43.42 42.47 2kkl n LEU 51 CO 0.10 -0.23 0.75 -2.16 -0.00 0.00 0.00 177.39 175.84 2kkl s PRO 52 N -2.81 1.54 0.56 1.96 0.04 -1.26 -3.99 135.00 131.04 2kkl s PRO 52 Ca 0.32 0.21 -0.21 0.00 0.04 0.00 0.00 61.00 61.36 2kkl s PRO 52 Cb -0.04 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 2kkl s PRO 52 CO 0.87 -1.90 1.14 -2.30 0.04 0.00 0.00 177.00 174.85 2kkl n PRO 53 N -3.55 1.29 0.00 0.56 -0.02 -1.26 -3.27 135.00 128.74 2kkl n PRO 53 Ca 0.07 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2kkl n PRO 53 Cb 0.60 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 1.04 1.77 3.28 -1.23 0.00 -1.26 -5.06 105.19 103.74 2kkl n GLY 54 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 2.12 0.04 0.99 1.43 -1.20 -4.97 118.68 117.10 2kkl s LEU 55 Ca 0.00 -0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 52.50 2kkl s LEU 55 Cb 0.00 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 45.08 2kkl s LEU 55 CO 0.00 0.23 0.21 0.00 0.23 0.00 0.00 176.35 177.02 2kkl s ALA 56 N -0.71 -0.39 0.16 4.21 0.00 -1.26 -4.59 121.76 119.19 2kkl s ALA 56 Ca 0.09 -0.27 0.07 0.00 0.00 0.00 0.00 51.96 51.85 2kkl s ALA 56 Cb -0.09 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 2kkl s ALA 56 CO 0.01 -0.38 -0.15 -0.51 0.00 0.00 0.00 175.76 174.73 2kkl s LEU 57 N -2.14 2.48 -0.13 0.00 1.02 -0.95 -1.97 118.68 116.99 2kkl s LEU 57 Ca -0.04 -0.91 0.02 0.00 0.02 0.00 0.00 54.13 53.21 2kkl s LEU 57 Cb -0.01 -0.65 -0.01 0.00 0.02 0.00 0.00 46.19 45.55 2kkl s LEU 57 CO -0.04 -0.14 -0.18 -0.76 0.02 0.00 0.00 176.35 175.25 2kkl s LEU 58 N -2.87 2.40 -0.11 1.79 1.43 -1.10 -2.60 118.68 117.63 2kkl s LEU 58 Ca 0.16 -0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 52.80 2kkl s LEU 58 Cb -0.03 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.65 2kkl s LEU 58 CO 0.05 0.14 -0.10 -0.69 0.23 0.00 0.00 176.35 175.99 2kkl s VAL 59 N 0.47 3.41 -0.42 -1.59 1.01 -1.03 -2.12 120.40 120.14 2kkl s VAL 59 Ca -0.12 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 2kkl s VAL 59 Cb -0.17 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.81 2kkl s VAL 59 CO 0.05 0.55 1.21 -0.69 0.00 0.00 0.00 175.10 176.22 2kkl s VAL 60 N -0.11 4.18 0.14 2.92 1.01 -1.09 -1.92 120.40 125.52 2kkl s VAL 60 Ca 0.00 1.25 -0.14 0.00 0.00 0.00 0.00 61.98 63.08 2kkl s VAL 60 Cb -0.13 -4.43 0.01 0.00 0.00 0.00 0.00 36.38 31.82 2kkl s VAL 60 CO 0.03 -0.81 1.63 0.50 0.00 0.00 0.00 175.10 176.46 2kkl h LYS 61 N 9.39 0.73 -4.41 2.72 3.64 -1.69 -3.36 116.57 123.58 2kkl h LYS 61 Ca -0.24 -0.18 -0.23 0.00 -1.27 0.00 0.00 60.65 58.72 2kkl h LYS 61 Cb 1.07 -0.09 -0.20 0.00 -0.41 0.00 0.00 32.23 32.60 2kkl h LYS 61 CO 1.09 0.74 -0.72 1.03 -2.27 0.00 0.00 179.45 179.32 2kkl s ARG 62 N -5.25 0.51 0.00 1.90 0.52 -1.21 -4.94 118.95 110.48 2kkl s ARG 62 Ca -0.13 -0.82 0.00 0.00 -0.52 0.00 0.00 55.73 54.26 2kkl s ARG 62 Cb 0.11 -0.15 0.00 0.00 0.52 0.00 0.00 34.95 35.42 2kkl s ARG 62 CO 0.78 0.01 0.00 0.41 0.02 0.00 0.00 175.30 176.52 2kkl n GLY 63 N 1.24 1.71 0.29 -3.53 0.00 -1.26 -4.48 105.19 99.16 2kkl n GLY 63 Ca -0.21 -1.31 0.18 0.00 0.00 0.00 0.00 46.02 44.68 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 0.01 1.61 0.13 -2.01 -3.05 132.00 128.70 2kkl h PRO 64 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.76 2kkl h PRO 64 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 2kkl h PRO 64 CO 0.00 0.03 -2.36 0.09 -0.23 0.00 0.00 178.00 175.52 2kkl n ASN 65 N -3.18 1.20 -2.51 1.44 3.02 -1.26 -5.05 115.26 108.92 2kkl n ASN 65 Ca -0.01 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 2kkl n ASN 65 Cb 0.22 0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 2kkl n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kkl n ALA 66 N -3.01 -1.52 0.00 5.41 0.00 -1.15 -4.48 120.51 115.76 2kkl n ALA 66 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2kkl n ALA 66 Cb 1.06 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 20.13 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 1.46 0.90 3.76 0.00 0.00 -1.26 -5.06 105.19 104.99 2kkl n GLY 67 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.25 5.79 0.06 1.61 0.01 -1.26 -4.87 113.70 114.78 2kkl s SER 68 Ca 0.00 2.73 0.01 0.00 1.31 0.00 0.00 55.95 60.00 2kkl s SER 68 Cb 0.00 -2.64 -0.03 0.00 0.21 0.00 0.00 66.02 63.56 2kkl s SER 68 CO 0.00 -1.22 -0.05 0.00 0.41 0.00 0.00 173.24 172.38 2kkl s ARG 69 N -2.60 0.62 0.06 12.44 1.70 -1.26 -2.66 118.95 127.25 2kkl s ARG 69 Ca 0.64 -1.05 0.07 0.00 -0.47 0.00 0.00 55.73 54.92 2kkl s ARG 69 Cb -0.39 -0.07 -0.03 0.00 -0.57 0.00 0.00 34.95 33.89 2kkl s ARG 69 CO 0.49 -0.03 -0.19 -0.06 -1.08 0.00 0.00 175.30 174.43 2kkl s PHE 70 N -2.82 1.64 -0.20 5.89 0.08 -0.90 -4.95 117.98 116.71 2kkl s PHE 70 Ca 0.01 -0.39 -0.07 0.00 0.12 0.00 0.00 56.93 56.60 2kkl s PHE 70 Cb -0.00 -0.95 -0.04 0.00 -0.57 0.00 0.00 43.02 41.46 2kkl s PHE 70 CO -0.04 0.11 0.06 -1.17 -0.10 0.00 0.00 175.22 174.08 2kkl s LEU 71 N -1.40 3.66 -0.24 -0.37 1.98 -1.26 -2.69 118.68 118.36 2kkl s LEU 71 Ca 0.05 -0.03 -0.10 0.00 -2.89 0.00 0.00 54.13 51.16 2kkl s LEU 71 Cb -0.09 -1.94 -0.05 0.00 0.66 0.00 0.00 46.19 44.77 2kkl s LEU 71 CO 0.02 0.10 0.15 -0.76 -1.89 0.00 0.00 176.35 173.98 2kkl s LEU 72 N 0.80 4.05 -0.42 -0.68 1.43 -0.83 -4.93 118.68 118.10 2kkl s LEU 72 Ca 0.03 0.08 0.09 0.00 -1.03 0.00 0.00 54.13 53.30 2kkl s LEU 72 Cb -0.14 -2.09 0.36 0.00 0.03 0.00 0.00 46.19 44.35 2kkl s LEU 72 CO 0.02 0.05 1.09 -0.90 0.23 0.00 0.00 176.35 176.85 2kkl n ASP 73 N 4.36 -1.29 -3.30 2.29 5.75 -1.26 -4.10 116.55 119.00 2kkl n ASP 73 Ca -0.15 -3.18 -0.07 0.00 -0.01 0.00 0.00 54.79 51.37 2kkl n ASP 73 Cb 0.52 1.01 0.01 0.00 -1.03 0.00 0.00 41.12 41.63 2kkl n ASP 73 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kkl s GLN 74 N -0.57 1.96 -0.05 0.11 1.03 -1.26 -5.10 119.66 115.78 2kkl s GLN 74 Ca 0.26 -1.21 -0.02 0.00 0.04 0.00 0.00 55.36 54.43 2kkl s GLN 74 Cb 0.34 0.59 -0.01 0.00 0.03 0.00 0.00 33.01 33.96 2kkl s GLN 74 CO -0.06 -0.91 -0.04 0.00 -2.54 0.00 0.00 175.29 171.74 2kkl h ALA 75 N 2.00 0.00 -3.12 2.60 0.00 -1.97 -3.45 119.26 115.33 2kkl h ALA 75 Ca -0.27 -0.19 -0.64 0.00 0.00 0.00 0.00 54.91 53.81 2kkl h ALA 75 Cb 1.25 0.11 -0.23 0.00 0.00 0.00 0.00 17.79 18.92 2kkl h ALA 75 CO 0.34 0.11 -0.66 0.42 0.00 0.00 0.00 179.25 179.46 2kkl s ILE 76 N -1.40 3.95 -0.08 0.00 -1.09 -1.26 -2.42 121.20 118.89 2kkl s ILE 76 Ca -0.03 -0.32 0.02 0.00 -2.23 0.00 0.00 60.65 58.09 2kkl s ILE 76 Cb 0.00 -2.78 0.02 0.00 -1.58 0.00 0.00 42.46 38.12 2kkl s ILE 76 CO 0.05 0.43 -0.12 -0.89 -1.23 0.00 0.00 174.94 173.18 2kkl s THR 77 N 1.01 1.21 0.63 2.92 2.01 -1.07 -5.03 115.64 117.32 2kkl s THR 77 Ca 0.02 -0.49 -0.07 0.00 0.31 0.00 0.00 61.69 61.46 2kkl s THR 77 Cb -0.14 -1.12 0.01 0.00 0.01 0.00 0.00 72.50 71.25 2kkl s THR 77 CO 0.02 0.38 0.96 -0.94 -0.69 0.00 0.00 174.62 174.34 2kkl s SER 78 N 0.93 5.51 0.34 3.53 1.04 -1.26 -0.97 113.70 122.81 2kkl s SER 78 Ca -0.09 0.80 0.08 0.00 0.48 0.00 0.00 55.95 57.22 2kkl s SER 78 Cb -0.15 -1.73 -0.04 0.00 0.10 0.00 0.00 66.02 64.21 2kkl s SER 78 CO 0.00 -1.17 0.19 0.00 0.98 0.00 0.00 173.24 173.25 2kkl s ALA 79 N -3.10 3.60 0.00 5.32 0.00 -0.74 -4.46 121.76 122.39 2kkl s ALA 79 Ca 0.55 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.75 2kkl s ALA 79 Cb -0.11 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.13 2kkl s ALA 79 CO 0.47 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.67 2kkl n GLY 80 N -1.22 2.11 3.78 0.00 0.00 -1.26 -4.59 105.19 104.01 2kkl n GLY 80 Ca -0.03 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 3.55 0.00 1.61 0.52 -1.05 -3.89 118.95 119.69 2kkl s ARG 81 Ca 0.00 -0.23 0.00 0.00 -0.52 0.00 0.00 55.73 54.98 2kkl s ARG 81 Cb 0.00 -3.15 0.00 0.00 0.52 0.00 0.00 34.95 32.32 2kkl s ARG 81 CO 0.00 0.62 0.00 0.72 0.02 0.00 0.00 175.30 176.66 2kkl n HIS 82 N 2.47 0.00 -2.28 -0.53 8.25 -1.26 -4.67 115.22 117.20 2kkl n HIS 82 Ca -0.19 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.89 2kkl n HIS 82 Cb 0.54 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.63 2kkl n HIS 82 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2kkl s PRO 83 N -2.00 4.01 -1.59 -0.41 0.04 -1.26 -3.10 135.00 130.69 2kkl s PRO 83 Ca 0.00 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.87 2kkl s PRO 83 Cb 0.00 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.90 2kkl s PRO 83 CO 0.00 -0.36 0.00 -3.47 0.04 0.00 0.00 177.00 173.21 2kkl n ASP 84 N -0.01 -5.17 -4.59 6.66 -0.08 -1.26 -4.93 116.55 107.17 2kkl n ASP 84 Ca 0.05 0.11 -0.39 0.00 -1.51 0.00 0.00 54.79 53.05 2kkl n ASP 84 Cb 0.47 -4.36 -0.10 0.00 2.34 0.00 0.00 41.12 39.46 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 -2.11 6.12 0.27 1.67 0.15 -1.18 -4.86 113.70 113.76 2kkl s SER 85 Ca 0.00 0.10 -0.01 0.00 0.70 0.00 0.00 55.95 56.74 2kkl s SER 85 Cb 0.00 -2.16 0.39 0.00 -1.71 0.00 0.00 66.02 62.54 2kkl s SER 85 CO 0.00 -0.11 1.78 0.44 1.20 0.00 0.00 173.24 176.55 2kkl h ASP 86 N 8.29 0.70 -3.29 5.45 3.32 -1.91 -3.42 116.42 125.56 2kkl h ASP 86 Ca -0.33 -0.16 -0.54 0.00 0.02 0.00 0.00 57.03 56.01 2kkl h ASP 86 Cb 1.18 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 2kkl h ASP 86 CO 0.59 0.77 0.49 -0.63 -1.72 0.00 0.00 179.24 178.75 2kkl s ILE 87 N -4.97 4.60 -0.51 0.35 -1.09 -1.26 -4.88 121.20 113.46 2kkl s ILE 87 Ca -0.09 1.87 0.03 0.00 -2.23 0.00 0.00 60.65 60.24 2kkl s ILE 87 Cb 0.15 -4.20 0.14 0.00 -1.58 0.00 0.00 42.46 36.97 2kkl s ILE 87 CO 0.80 0.10 0.30 -0.36 -1.23 0.00 0.00 174.94 174.55 2kkl s PHE 88 N 1.38 2.45 -0.39 3.97 0.08 -1.26 -4.42 117.98 119.79 2kkl s PHE 88 Ca 0.53 -2.75 -0.08 0.00 0.12 0.00 0.00 56.93 54.75 2kkl s PHE 88 Cb -0.23 -2.14 0.07 0.00 -0.57 0.00 0.00 43.02 40.15 2kkl s PHE 88 CO 0.25 -0.73 0.20 -0.51 -0.10 0.00 0.00 175.22 174.33 2kkl s LEU 89 N -0.17 4.85 -0.93 -0.37 1.43 -1.25 -5.03 118.68 117.20 2kkl s LEU 89 Ca 0.20 -1.40 -0.20 0.00 -1.03 0.00 0.00 54.13 51.70 2kkl s LEU 89 Cb -0.18 -1.93 0.10 0.00 0.03 0.00 0.00 46.19 44.21 2kkl s LEU 89 CO -0.05 -0.46 1.21 -0.62 0.23 0.00 0.00 176.35 176.66 2kkl s ASP 90 N 1.81 6.55 -0.17 2.29 -1.08 -1.26 -4.62 116.67 120.20 2kkl s ASP 90 Ca 0.02 -1.78 -0.09 0.00 -0.52 0.00 0.00 52.55 50.18 2kkl s ASP 90 Cb -0.22 -2.45 0.06 0.00 -1.46 0.00 0.00 42.92 38.85 2kkl s ASP 90 CO 0.02 -1.23 0.40 -1.81 0.52 0.00 0.00 175.17 173.07 2kkl s ASP 91 N 4.03 -0.50 0.45 -0.34 1.01 -1.26 -5.01 116.67 115.05 2kkl s ASP 91 Ca 0.36 0.87 0.24 0.00 0.71 0.00 0.00 52.55 54.73 2kkl s ASP 91 Cb -0.04 0.76 1.05 0.00 1.01 0.00 0.00 42.92 45.70 2kkl s ASP 91 CO -0.08 -0.19 1.89 1.62 0.21 0.00 0.00 175.17 178.62 2kkl h VAL 92 N 5.49 0.65 0.00 -1.27 3.04 -1.94 -1.76 116.25 120.46 2kkl h VAL 92 Ca -0.36 -1.00 0.00 0.00 -1.01 0.00 0.00 66.70 64.33 2kkl h VAL 92 Cb 1.18 1.65 0.00 0.00 -2.01 0.00 0.00 31.29 32.11 2kkl h VAL 92 CO 0.30 0.22 0.00 0.35 -1.01 0.00 0.00 177.57 177.43 2kkl n THR 93 N -3.53 0.66 0.44 3.17 -2.24 -1.26 -2.63 114.28 108.89 2kkl n THR 93 Ca -0.01 -0.01 0.10 0.00 -2.27 0.00 0.00 64.05 61.86 2kkl n THR 93 Cb 0.38 -0.84 -0.13 0.00 -2.10 0.00 0.00 70.33 67.64 2kkl n THR 93 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2kkl n VAL 94 N -2.11 0.00 -0.89 2.28 0.31 -0.70 -4.67 118.33 112.55 2kkl n VAL 94 Ca 0.04 -0.25 0.10 0.00 -0.01 0.00 0.00 64.34 64.22 2kkl n VAL 94 Cb 0.32 0.51 -0.03 0.00 -0.91 0.00 0.00 33.84 33.73 2kkl n VAL 94 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2kkl n SER 95 N -1.83 -4.51 0.23 4.52 3.41 -0.97 -4.33 113.62 110.14 2kkl n SER 95 Ca -0.00 0.43 -0.09 0.00 -0.26 0.00 0.00 58.87 58.95 2kkl n SER 95 Cb 0.41 -2.88 -0.04 0.00 -0.26 0.00 0.00 64.21 61.44 2kkl n SER 95 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2kkl h ARG 96 N -0.98 -0.57 -5.49 4.33 3.08 -1.89 -3.39 114.38 109.47 2kkl h ARG 96 Ca -0.02 0.04 -0.64 0.00 0.07 0.00 0.00 59.98 59.43 2kkl h ARG 96 Cb 1.19 0.13 -0.12 0.00 0.08 0.00 0.00 29.97 31.25 2kkl h ARG 96 CO 0.02 -0.38 -0.53 1.03 -1.07 0.00 0.00 179.97 179.04 2kkl s ARG 97 N -4.30 3.72 0.00 0.04 0.52 -1.26 -2.53 118.95 115.14 2kkl s ARG 97 Ca -0.09 -0.26 0.00 0.00 -0.52 0.00 0.00 55.73 54.87 2kkl s ARG 97 Cb 0.01 -3.19 0.00 0.00 0.52 0.00 0.00 34.95 32.29 2kkl s ARG 97 CO 0.26 0.50 0.00 -2.39 0.02 0.00 0.00 175.30 173.69 2kkl n HIS 98 N 2.85 0.00 -3.70 -0.53 1.44 -1.26 -4.84 115.22 109.18 2kkl n HIS 98 Ca -0.18 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.43 2kkl n HIS 98 Cb 0.53 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.58 2kkl n HIS 98 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2kkl s ALA 99 N -1.00 -0.76 0.04 1.59 0.00 -1.26 -4.09 121.76 116.28 2kkl s ALA 99 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 51.87 2kkl s ALA 99 Cb 0.00 0.55 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 2kkl s ALA 99 CO 0.00 -0.56 -0.06 -2.00 0.00 0.00 0.00 175.76 173.14 2kkl s GLU 100 N -3.45 0.50 -0.02 0.00 2.12 -0.97 -1.79 118.70 115.09 2kkl s GLU 100 Ca 0.01 -0.79 0.03 0.00 0.36 0.00 0.00 54.97 54.58 2kkl s GLU 100 Cb 0.02 -0.16 -0.03 0.00 0.26 0.00 0.00 34.13 34.21 2kkl s GLU 100 CO -0.09 0.01 -0.08 -0.06 -0.54 0.00 0.00 175.26 174.50 2kkl s PHE 101 N -1.68 2.86 0.00 5.30 0.08 -0.14 -2.11 117.98 122.29 2kkl s PHE 101 Ca -0.09 -0.05 0.02 0.00 0.12 0.00 0.00 56.93 56.93 2kkl s PHE 101 Cb -0.08 -1.63 -0.01 0.00 -0.57 0.00 0.00 43.02 40.73 2kkl s PHE 101 CO -0.01 0.33 -0.07 1.03 -0.10 0.00 0.00 175.22 176.40 2kkl s ARG 102 N -1.17 0.57 -0.21 0.44 0.52 -0.71 -2.59 118.95 115.80 2kkl s ARG 102 Ca 0.15 -0.31 -0.09 0.00 -0.52 0.00 0.00 55.73 54.97 2kkl s ARG 102 Cb -0.11 -0.53 -0.04 0.00 0.52 0.00 0.00 34.95 34.78 2kkl s ARG 102 CO 0.05 0.14 0.10 -1.17 0.02 0.00 0.00 175.30 174.44 2kkl s LEU 103 N -0.31 3.91 0.00 2.53 2.96 -1.02 -0.14 118.68 126.60 2kkl s LEU 103 Ca 0.02 0.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.00 2kkl s LEU 103 Cb -0.03 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.64 2kkl s LEU 103 CO -0.00 0.11 0.00 1.21 -1.32 0.00 0.00 176.35 176.35 2kkl n GLU 104 N 3.95 0.00 -0.08 1.98 2.13 -1.26 -4.90 120.64 122.46 2kkl n GLU 104 Ca -0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.66 2kkl n GLU 104 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 2kkl n GLU 104 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2kkl n ASN 105 N -2.40 2.19 -2.52 4.31 3.02 -1.26 -4.67 115.26 113.94 2kkl n ASN 105 Ca 0.00 -1.38 -0.05 0.00 -0.03 0.00 0.00 54.58 53.12 2kkl n ASN 105 Cb 0.00 -0.40 -0.00 0.00 -0.61 0.00 0.00 39.78 38.76 2kkl n ASN 105 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2kkl n ASN 106 N 0.97 -2.01 -0.01 6.41 0.23 -1.26 -4.59 115.26 115.00 2kkl n ASN 106 Ca 0.00 0.37 0.00 0.00 -0.53 0.00 0.00 54.58 54.42 2kkl n ASN 106 Cb 0.30 -1.81 0.00 0.00 -2.08 0.00 0.00 39.78 36.20 2kkl n ASN 106 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2kkl n GLU 107 N -2.64 0.00 -1.63 -3.83 1.02 -1.26 -4.64 120.64 107.67 2kkl n GLU 107 Ca -0.05 -0.40 0.00 0.00 -0.02 0.00 0.00 57.16 56.69 2kkl n GLU 107 Cb 0.54 -0.39 0.00 0.00 -0.02 0.00 0.00 31.44 31.57 2kkl n GLU 107 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2kkl n PHE 108 N 0.00 -4.23 -4.25 -0.32 3.72 -1.26 -3.79 117.46 107.33 2kkl n PHE 108 Ca 0.00 2.27 -0.14 0.00 -0.05 0.00 0.00 57.45 59.53 2kkl n PHE 108 Cb 0.50 -3.43 -0.10 0.00 -0.94 0.00 0.00 39.48 35.51 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 -4.36 1.40 -0.08 4.37 0.01 0.80 -0.98 114.94 116.11 2kkl s ASN 109 Ca 0.00 -1.15 0.05 0.00 -0.71 0.00 0.00 52.86 51.05 2kkl s ASN 109 Cb 0.00 0.08 -0.00 0.00 0.41 0.00 0.00 41.25 41.73 2kkl s ASN 109 CO 0.00 -0.52 -0.24 0.54 -1.51 0.00 0.00 177.10 175.37 2kkl s VAL 110 N -3.56 2.03 -0.05 1.60 0.11 -0.68 -1.74 120.40 118.11 2kkl s VAL 110 Ca 0.23 -1.02 0.03 0.00 -2.93 0.00 0.00 61.98 58.29 2kkl s VAL 110 Cb 0.05 -1.74 0.00 0.00 -1.53 0.00 0.00 36.38 33.17 2kkl s VAL 110 CO 0.04 0.56 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.54 2kkl s VAL 111 N 0.14 1.15 -0.36 2.04 1.01 -0.89 -2.66 120.40 120.83 2kkl s VAL 111 Ca -0.13 -0.54 -0.26 0.00 0.00 0.00 0.00 61.98 61.06 2kkl s VAL 111 Cb -0.16 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.21 2kkl s VAL 111 CO 0.07 0.35 0.93 -1.81 0.00 0.00 0.00 175.10 174.63 2kkl s ASP 112 N 0.30 6.69 1.32 3.32 1.01 -1.20 -2.30 116.67 125.81 2kkl s ASP 112 Ca -0.07 0.62 -0.17 0.00 0.71 0.00 0.00 52.55 53.63 2kkl s ASP 112 Cb -0.12 -2.46 0.27 0.00 1.01 0.00 0.00 42.92 41.62 2kkl s ASP 112 CO 0.02 -0.84 0.62 1.33 0.21 0.00 0.00 175.17 176.51 2kkl n VAL 113 N 5.94 0.00 1.16 -1.27 0.24 -1.26 -4.81 118.33 118.33 2kkl n VAL 113 Ca 0.07 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.48 2kkl n VAL 113 Cb 0.48 -0.70 0.59 0.00 -1.47 0.00 0.00 33.84 32.74 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 -4.02 -0.89 3.81 7.63 0.00 -1.26 -4.80 105.19 105.66 2kkl n GLY 114 Ca 0.10 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 2kkl n GLY 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kkl s SER 115 N -2.36 5.34 -0.44 1.61 1.04 -1.26 -4.92 113.70 112.70 2kkl s SER 115 Ca 0.25 1.69 -0.28 0.00 0.48 0.00 0.00 55.95 58.09 2kkl s SER 115 Cb 0.15 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.75 2kkl s SER 115 CO 0.30 -1.47 1.75 -0.22 0.98 0.00 0.00 173.24 174.58 2kkl s LEU 116 N -5.38 3.45 -0.27 2.42 0.20 -1.26 -4.91 118.68 112.92 2kkl s LEU 116 Ca 0.60 0.89 -0.02 0.00 0.69 0.00 0.00 54.13 56.29 2kkl s LEU 116 Cb -0.15 -3.19 0.16 0.00 -0.43 0.00 0.00 46.19 42.58 2kkl s LEU 116 CO 0.51 -1.88 0.48 0.21 -0.29 0.00 0.00 176.35 175.38 2kkl s ASN 117 N 6.37 -0.50 -0.18 3.68 3.84 -1.26 -4.99 114.94 121.89 2kkl s ASN 117 Ca 0.72 0.54 -0.04 0.00 0.21 0.00 0.00 52.86 54.28 2kkl s ASN 117 Cb -0.18 1.60 -0.10 0.00 -0.55 0.00 0.00 41.25 42.02 2kkl s ASN 117 CO 0.29 -0.28 3.09 0.61 -2.79 0.00 0.00 177.10 178.02 2kkl n GLY 118 N 5.39 3.51 3.75 1.21 0.00 -1.26 -4.94 105.19 112.85 2kkl n GLY 118 Ca -0.03 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.44 2.45 0.05 2.61 2.01 -1.26 -5.01 115.64 116.05 2kkl s THR 119 Ca 0.56 0.40 -0.03 0.00 0.31 0.00 0.00 61.69 62.93 2kkl s THR 119 Cb 0.31 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.54 2kkl s THR 119 CO -0.08 0.07 0.02 -0.72 -0.69 0.00 0.00 174.62 173.22 2kkl s TYR 120 N -0.23 0.39 -0.10 4.92 -0.85 -1.26 -4.30 117.35 115.91 2kkl s TYR 120 Ca 0.59 -0.85 0.03 0.00 -0.52 0.00 0.00 57.07 56.32 2kkl s TYR 120 Cb -0.44 -0.28 0.00 0.00 0.38 0.00 0.00 41.96 41.63 2kkl s TYR 120 CO 0.47 -0.38 -0.22 0.54 -1.52 0.00 0.00 175.55 174.45 2kkl s VAL 121 N -3.41 1.95 -1.48 -3.49 0.11 -1.21 -4.30 120.40 108.57 2kkl s VAL 121 Ca 0.02 -0.95 -0.11 0.00 -2.93 0.00 0.00 61.98 58.01 2kkl s VAL 121 Cb 0.04 -1.70 0.06 0.00 -1.53 0.00 0.00 36.38 33.25 2kkl s VAL 121 CO -0.08 0.53 0.87 0.59 -3.33 0.00 0.00 175.10 173.69 2kkl n ASN 122 N 3.68 -5.03 -3.47 3.54 3.02 -1.26 -1.35 115.26 114.39 2kkl n ASN 122 Ca -0.20 -0.61 -0.21 0.00 -0.03 0.00 0.00 54.58 53.53 2kkl n ASN 122 Cb 0.53 -4.03 0.08 0.00 -0.61 0.00 0.00 39.78 35.74 2kkl n ASN 122 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kkl n ARG 123 N -4.47 -7.28 -3.30 3.52 5.12 -1.26 -4.98 116.66 104.00 2kkl n ARG 123 Ca 0.01 0.82 -0.18 0.00 -1.93 0.00 0.00 57.85 56.57 2kkl n ARG 123 Cb 0.54 -5.80 -0.07 0.00 -1.16 0.00 0.00 32.46 25.97 2kkl n ARG 123 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2kkl s GLU 124 N -5.90 0.74 0.15 5.56 2.02 -0.46 -5.13 118.70 115.68 2kkl s GLU 124 Ca 0.35 -1.14 -0.34 0.00 0.02 0.00 0.00 54.97 53.85 2kkl s GLU 124 Cb -0.15 -0.80 -0.15 0.00 0.10 0.00 0.00 34.13 33.14 2kkl s GLU 124 CO 0.71 -1.25 1.50 -2.30 0.02 0.00 0.00 175.26 173.94 2kkl n PRO 125 N 3.83 1.87 -3.83 0.39 -0.02 -1.26 -3.34 135.00 132.64 2kkl n PRO 125 Ca 0.15 0.68 -0.11 0.00 -2.02 0.00 0.00 63.50 62.20 2kkl n PRO 125 Cb 0.46 -2.40 -0.08 0.00 -0.02 0.00 0.00 33.50 31.46 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 0.71 0.10 0.20 -1.45 -7.23 -1.26 -4.97 120.40 106.50 2kkl s VAL 126 Ca 0.79 -0.83 -0.08 0.00 -1.81 0.00 0.00 61.98 60.06 2kkl s VAL 126 Cb -0.75 -0.88 0.11 0.00 0.56 0.00 0.00 36.38 35.42 2kkl s VAL 126 CO 0.41 -0.46 1.71 0.44 -0.31 0.00 0.00 175.10 176.89 2kkl h ASP 127 N 3.46 1.07 -5.02 4.85 3.32 -1.94 -3.45 116.42 118.71 2kkl h ASP 127 Ca -0.32 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 56.44 2kkl h ASP 127 Cb 1.19 -0.28 -0.14 0.00 0.22 0.00 0.00 39.33 40.32 2kkl h ASP 127 CO 0.47 1.04 0.08 -0.94 -1.72 0.00 0.00 179.24 178.17 2kkl s SER 128 N -6.49 -0.45 -0.08 6.45 1.04 -1.26 -3.28 113.70 109.63 2kkl s SER 128 Ca -0.12 0.05 -0.31 0.00 0.48 0.00 0.00 55.95 56.05 2kkl s SER 128 Cb 0.15 0.53 0.09 0.00 0.10 0.00 0.00 66.02 66.88 2kkl s SER 128 CO 0.85 -0.83 0.77 0.00 0.98 0.00 0.00 173.24 175.01 2kkl s ALA 129 N -3.10 -1.81 0.13 5.32 0.00 -1.09 -5.00 121.76 116.22 2kkl s ALA 129 Ca -0.02 1.39 -0.29 0.00 0.00 0.00 0.00 51.96 53.04 2kkl s ALA 129 Cb -0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 23.12 22.86 2kkl s ALA 129 CO -0.07 -0.35 0.93 0.08 0.00 0.00 0.00 175.76 176.35 2kkl s VAL 130 N -1.17 4.43 0.45 0.00 1.01 -1.26 -1.69 120.40 122.17 2kkl s VAL 130 Ca -0.08 2.02 -0.21 0.00 0.00 0.00 0.00 61.98 63.70 2kkl s VAL 130 Cb -0.00 -4.30 -0.09 0.00 0.00 0.00 0.00 36.38 31.99 2kkl s VAL 130 CO 0.08 0.37 1.02 -0.76 0.00 0.00 0.00 175.10 175.81 2kkl s LEU 131 N -0.31 3.95 0.14 3.92 1.43 -0.15 -4.93 118.68 122.73 2kkl s LEU 131 Ca 0.44 1.90 0.07 0.00 -1.03 0.00 0.00 54.13 55.52 2kkl s LEU 131 Cb -0.24 -4.45 -0.04 0.00 0.03 0.00 0.00 46.19 41.49 2kkl s LEU 131 CO 0.29 -0.60 -0.16 0.00 0.23 0.00 0.00 176.35 176.11 2kkl s ALA 132 N -1.94 1.76 -0.17 4.21 0.00 -1.26 -4.78 121.76 119.59 2kkl s ALA 132 Ca 0.63 -1.39 -0.32 0.00 0.00 0.00 0.00 51.96 50.88 2kkl s ALA 132 Cb -0.16 -0.14 -0.10 0.00 0.00 0.00 0.00 23.12 22.73 2kkl s ALA 132 CO 0.20 0.18 2.06 -1.71 0.00 0.00 0.00 175.76 176.49 2kkl n ASN 133 N 0.44 3.18 0.00 0.00 2.85 -1.26 -0.14 115.26 120.32 2kkl n ASN 133 Ca -0.14 0.63 0.00 0.00 -0.11 0.00 0.00 54.58 54.95 2kkl n ASN 133 Cb 0.57 -1.41 0.00 0.00 1.24 0.00 0.00 39.78 40.18 2kkl n ASN 133 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kkl n GLY 134 N 5.28 0.55 3.76 8.20 0.00 0.59 -4.93 105.19 118.64 2kkl n GLY 134 Ca 0.29 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 2kkl n GLY 134 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kkl s ASP 135 N -2.42 5.72 -0.24 1.61 -1.08 0.80 -4.72 116.67 116.33 2kkl s ASP 135 Ca 0.00 2.61 -0.17 0.00 -0.52 0.00 0.00 52.55 54.47 2kkl s ASP 135 Cb 0.00 -2.63 -0.03 0.00 -1.46 0.00 0.00 42.92 38.80 2kkl s ASP 135 CO 0.00 -1.25 0.45 -1.61 0.52 0.00 0.00 175.17 173.28 2kkl s GLU 136 N -2.73 4.11 -0.07 4.34 2.02 -1.26 -1.50 118.70 123.60 2kkl s GLU 136 Ca 0.67 0.25 0.05 0.00 0.02 0.00 0.00 54.97 55.95 2kkl s GLU 136 Cb -0.36 -3.61 -0.00 0.00 0.10 0.00 0.00 34.13 30.26 2kkl s GLU 136 CO 0.44 -0.22 -0.22 0.08 0.02 0.00 0.00 175.26 175.36 2kkl s VAL 137 N 1.88 1.84 -0.13 2.63 1.01 0.53 -4.22 120.40 123.95 2kkl s VAL 137 Ca 0.20 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.27 2kkl s VAL 137 Cb -0.15 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.66 2kkl s VAL 137 CO 0.09 0.51 -0.18 -1.58 0.00 0.00 0.00 175.10 173.94 2kkl s GLN 138 N 0.14 2.61 -0.08 2.72 0.74 -1.26 -0.03 119.66 124.49 2kkl s GLN 138 Ca -0.10 -0.70 0.03 0.00 0.05 0.00 0.00 55.36 54.64 2kkl s GLN 138 Cb -0.15 -2.16 0.01 0.00 1.10 0.00 0.00 33.01 31.80 2kkl s GLN 138 CO 0.05 -0.05 -0.18 0.42 -0.55 0.00 0.00 175.29 174.98 2kkl s ILE 139 N 0.93 1.59 0.00 -2.34 1.01 -0.42 -4.44 121.20 117.53 2kkl s ILE 139 Ca -0.06 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2kkl s ILE 139 Cb -0.15 -1.41 0.00 0.00 0.01 0.00 0.00 42.46 40.91 2kkl s ILE 139 CO -0.02 0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.98 2kkl n GLY 140 N 3.67 0.24 0.00 6.18 0.00 -1.26 -0.53 105.19 113.48 2kkl n GLY 140 Ca -0.21 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2kkl n GLY 140 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kkl n LYS 141 N 0.00 0.00 -3.71 1.61 5.02 -1.26 -5.07 118.16 114.75 2kkl n LYS 141 Ca 0.00 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 2kkl n LYS 141 Cb 0.00 -0.26 -0.06 0.00 -0.02 0.00 0.00 35.03 34.69 2kkl n LYS 141 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2kkl s PHE 142 N 0.00 3.65 -0.18 2.13 0.08 0.30 -5.08 117.98 118.88 2kkl s PHE 142 Ca 0.00 0.73 -0.07 0.00 0.12 0.00 0.00 56.93 57.71 2kkl s PHE 142 Cb 0.00 -2.09 -0.04 0.00 -0.57 0.00 0.00 43.02 40.32 2kkl s PHE 142 CO 0.00 0.69 0.04 1.03 -0.10 0.00 0.00 175.22 176.88 2kkl s ARG 143 N -1.13 3.89 0.08 0.44 0.52 -1.26 -1.30 118.95 120.19 2kkl s ARG 143 Ca 0.20 -0.39 0.07 0.00 -0.52 0.00 0.00 55.73 55.09 2kkl s ARG 143 Cb -0.14 -3.15 -0.03 0.00 0.52 0.00 0.00 34.95 32.15 2kkl s ARG 143 CO 0.09 0.25 -0.17 -0.51 0.02 0.00 0.00 175.30 174.98 2kkl s LEU 144 N 0.42 2.28 -0.11 2.53 1.02 0.95 -1.79 118.68 123.99 2kkl s LEU 144 Ca 0.02 -0.64 0.04 0.00 0.02 0.00 0.00 54.13 53.56 2kkl s LEU 144 Cb -0.13 -0.69 0.00 0.00 0.02 0.00 0.00 46.19 45.39 2kkl s LEU 144 CO 0.01 -0.01 -0.23 0.54 0.02 0.00 0.00 176.35 176.68 2kkl s VAL 145 N -1.19 2.04 -0.14 -1.59 0.11 -0.81 -0.35 120.40 118.47 2kkl s VAL 145 Ca 0.02 -1.00 -0.20 0.00 -2.93 0.00 0.00 61.98 57.87 2kkl s VAL 145 Cb -0.10 -1.77 -0.04 0.00 -1.53 0.00 0.00 36.38 32.95 2kkl s VAL 145 CO 0.03 0.55 0.57 0.12 -3.33 0.00 0.00 175.10 173.04 2kkl s PHE 146 N 0.44 3.47 0.28 1.54 5.36 -0.56 -2.46 117.98 126.05 2kkl s PHE 146 Ca -0.17 0.96 -0.00 0.00 -0.96 0.00 0.00 56.93 56.76 2kkl s PHE 146 Cb -0.17 -2.68 -0.02 0.00 -0.34 0.00 0.00 43.02 39.80 2kkl s PHE 146 CO 0.07 0.03 0.30 -0.48 -1.46 0.00 0.00 175.22 173.69 2kkl s LEU 147 N 1.10 1.20 0.00 6.12 2.34 -1.07 0.22 118.68 128.59 2kkl s LEU 147 Ca 0.29 -1.47 0.00 0.00 0.06 0.00 0.00 54.13 53.00 2kkl s LEU 147 Cb -0.16 0.87 0.00 0.00 -0.56 0.00 0.00 46.19 46.34 2kkl s LEU 147 CO 0.12 -1.06 0.00 0.35 -1.06 0.00 0.00 176.35 174.70 2kkl n THR 148 N -0.47 0.00 1.37 5.48 -2.24 -1.26 -2.25 114.28 114.91 2kkl n THR 148 Ca 0.03 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.83 2kkl n THR 148 Cb 0.63 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.97 2kkl n THR 148 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kkl n GLY 149 N 0.00 -0.68 3.12 3.38 0.00 -1.26 -4.62 105.19 105.13 2kkl n GLY 149 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.58 -3.10 -3.09 1.61 -0.00 -1.26 -4.74 115.22 104.06 2kkl n HIS 150 Ca 0.03 1.25 -0.37 0.00 0.46 0.00 0.00 57.72 59.08 2kkl n HIS 150 Cb 0.01 -3.49 -0.06 0.00 -0.12 0.00 0.00 29.99 26.34 2kkl n HIS 150 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 2kkl s LYS 151 N -2.86 4.32 0.39 1.57 -2.85 -1.26 -5.03 119.74 114.01 2kkl s LYS 151 Ca 0.21 0.92 -0.26 0.00 -1.00 0.00 0.00 55.97 55.84 2kkl s LYS 151 Cb -0.04 -3.00 -0.09 0.00 -2.06 0.00 0.00 37.83 32.64 2kkl s LYS 151 CO 0.80 0.46 1.21 -0.65 0.10 0.00 0.00 175.35 177.26 2kkl s GLN 152 N -1.71 4.11 0.00 1.78 -0.21 -1.26 -5.03 119.66 117.34 2kkl s GLN 152 Ca 0.40 1.94 0.00 0.00 0.02 0.00 0.00 55.36 57.72 2kkl s GLN 152 Cb -0.18 -2.77 0.00 0.00 1.00 0.00 0.00 33.01 31.06 2kkl s GLN 152 CO 0.22 -0.31 0.00 0.41 -2.12 0.00 0.00 175.29 173.49 2kkl n GLY 153 N 0.70 -0.17 7.00 3.09 0.00 -1.26 -4.96 105.19 109.60 2kkl n GLY 153 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.00 -1.82 1.61 1.02 -1.26 -4.69 120.64 115.50 2kkl n GLU 154 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.77 2kkl n GLU 154 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.47 2kkl n GLU 154 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 2kkl s ASP 155 N -4.00 4.90 0.45 1.62 -4.77 -1.26 -4.94 116.67 108.67 2kkl s ASP 155 Ca 0.00 2.60 -0.24 0.00 -3.30 0.00 0.00 52.55 51.62 2kkl s ASP 155 Cb 0.00 -2.62 -0.07 0.00 -1.09 0.00 0.00 42.92 39.14 2kkl s ASP 155 CO 0.00 -1.80 1.24 -0.76 0.70 0.00 0.00 175.17 174.55 2kkl s LEU 156 N -4.09 4.07 0.60 2.11 1.43 -1.26 -4.96 118.68 116.57 2kkl s LEU 156 Ca 0.79 2.50 -0.20 0.00 -1.03 0.00 0.00 54.13 56.19 2kkl s LEU 156 Cb -0.37 -4.12 -0.03 0.00 0.03 0.00 0.00 46.19 41.71 2kkl s LEU 156 CO 0.40 -0.98 1.29 -0.70 0.23 0.00 0.00 176.35 176.59 2kkl s GLU 157 N -2.55 2.87 0.58 1.70 2.12 -1.26 -4.98 118.70 117.18 2kkl s GLU 157 Ca 0.62 2.06 -0.15 0.00 0.36 0.00 0.00 54.97 57.85 2kkl s GLU 157 Cb -0.34 -2.01 -0.05 0.00 0.26 0.00 0.00 34.13 31.99 2kkl s GLU 157 CO 0.42 -1.35 1.03 -1.01 -0.54 0.00 0.00 175.26 173.81 2kkl s HIS 158 N -1.41 3.17 -0.01 5.30 3.76 -1.26 -5.07 115.29 119.77 2kkl s HIS 158 Ca 0.77 1.48 0.02 0.00 -0.15 0.00 0.00 55.06 57.19 2kkl s HIS 158 Cb -0.37 -2.92 -0.00 0.00 1.11 0.00 0.00 32.58 30.41 2kkl s HIS 158 CO 0.41 -0.87 -0.07 -3.38 -0.85 0.00 0.00 174.74 169.97 2kkl s HIS 159 N -2.59 0.73 -0.11 1.40 -3.43 -1.26 -5.13 115.29 104.90 2kkl s HIS 159 Ca 0.61 -0.15 -0.20 0.00 -0.80 0.00 0.00 55.06 54.52 2kkl s HIS 159 Cb -0.14 -0.50 -0.04 0.00 -1.43 0.00 0.00 32.58 30.47 2kkl s HIS 159 CO 0.37 -0.05 0.54 -1.58 -2.00 0.00 0.00 174.74 172.03 2kkl s HIS 160 N 0.01 3.52 0.27 0.38 2.46 -1.26 -4.96 115.29 115.71 2kkl s HIS 160 Ca 0.00 0.98 0.01 0.00 0.47 0.00 0.00 55.06 56.52 2kkl s HIS 160 Cb -0.05 -2.62 0.38 0.00 -0.13 0.00 0.00 32.58 30.16 2kkl s HIS 160 CO -0.00 0.14 1.73 0.45 -2.47 0.00 0.00 174.74 174.59 2kkl h HIS 161 N 6.76 0.66 -5.31 3.88 3.86 -2.07 -3.48 115.15 119.46 2kkl h HIS 161 Ca -0.41 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 58.67 2kkl h HIS 161 Cb 1.18 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.48 2kkl h HIS 161 CO 0.63 0.73 -0.85 1.58 0.86 0.00 0.00 177.93 180.88 2kkl n HIS 162 N -4.16 -3.58 1.97 2.45 -0.00 -1.26 -5.39 115.22 105.26 2kkl n HIS 162 Ca 0.01 1.54 0.16 0.00 -0.00 0.00 0.00 57.72 59.42 2kkl n HIS 162 Cb 0.37 -3.79 0.93 0.00 -0.00 0.00 0.00 29.99 27.49 2kkl n HIS 162 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92