#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkl s PHE 25 N 0.00 3.07 0.44 3.52 5.36 -1.26 -4.97 117.98 124.15 2kkl s PHE 25 Ca 0.00 0.95 -0.23 0.00 -0.96 0.00 0.00 56.93 56.69 2kkl s PHE 25 Cb 0.00 -3.81 -0.08 0.00 -0.34 0.00 0.00 43.02 38.79 2kkl s PHE 25 CO 0.00 -2.73 1.11 1.03 -1.46 0.00 0.00 175.22 173.17 2kkl s ARG 26 N 0.12 3.90 0.83 10.12 0.52 -1.26 -5.03 118.95 128.15 2kkl s ARG 26 Ca 0.62 1.63 -0.12 0.00 -0.52 0.00 0.00 55.73 57.34 2kkl s ARG 26 Cb -0.41 -2.42 0.09 0.00 0.52 0.00 0.00 34.95 32.73 2kkl s ARG 26 CO 0.39 -0.40 1.14 0.00 0.02 0.00 0.00 175.30 176.45 2kkl s ALA 27 N -1.63 2.30 0.27 2.13 0.00 -1.26 -4.96 121.76 118.61 2kkl s ALA 27 Ca 0.62 -0.49 -0.02 0.00 0.00 0.00 0.00 51.96 52.07 2kkl s ALA 27 Cb -0.25 -3.02 0.38 0.00 0.00 0.00 0.00 23.12 20.23 2kkl s ALA 27 CO 0.30 -1.83 1.81 0.22 0.00 0.00 0.00 175.76 176.26 2kkl h ASP 28 N -1.17 0.79 -0.91 0.00 1.82 -2.04 -3.42 116.42 111.49 2kkl h ASP 28 Ca -0.48 -0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.02 2kkl h ASP 28 Cb 1.31 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 41.12 2kkl h ASP 28 CO 0.63 0.78 0.00 2.22 -1.61 0.00 0.00 179.24 181.26 2kkl n PHE 29 N -4.26 -1.64 -2.37 0.28 -1.74 -1.26 -4.89 117.46 101.57 2kkl n PHE 29 Ca 0.04 0.00 -0.37 0.00 -0.56 0.00 0.00 57.45 56.56 2kkl n PHE 29 Cb 0.24 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.20 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 3.33 0.43 5.98 2.34 -1.26 -4.97 118.68 124.54 2kkl s LEU 30 Ca 0.00 -0.91 -0.24 0.00 0.06 0.00 0.00 54.13 53.04 2kkl s LEU 30 Cb 0.00 -2.56 -0.08 0.00 -0.56 0.00 0.00 46.19 42.99 2kkl s LEU 30 CO 0.00 -1.98 1.19 -0.55 -1.06 0.00 0.00 176.35 173.95 2kkl s SER 31 N 5.89 6.31 0.00 1.48 0.15 -1.26 -4.91 113.70 121.36 2kkl s SER 31 Ca 0.53 2.38 0.00 0.00 0.70 0.00 0.00 55.95 59.55 2kkl s SER 31 Cb -0.04 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2kkl s SER 31 CO -0.00 -0.83 0.66 -1.84 1.20 0.00 0.00 173.24 172.43 2kkl n GLU 32 N -0.19 0.00 -2.33 5.44 0.28 -1.26 -4.98 120.64 117.60 2kkl n GLU 32 Ca 0.06 -0.48 -0.40 0.00 -0.16 0.00 0.00 57.16 56.18 2kkl n GLU 32 Cb 0.47 0.28 -0.03 0.00 1.43 0.00 0.00 31.44 33.59 2kkl n GLU 32 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2kkl s LEU 33 N 0.00 4.45 -0.36 -1.84 1.43 -1.26 -4.98 118.68 116.12 2kkl s LEU 33 Ca 0.00 2.42 -0.21 0.00 -1.03 0.00 0.00 54.13 55.31 2kkl s LEU 33 Cb 0.00 -3.70 0.01 0.00 0.03 0.00 0.00 46.19 42.53 2kkl s LEU 33 CO 0.00 -0.36 0.68 -1.81 0.23 0.00 0.00 176.35 175.10 2kkl s ASP 34 N -0.79 6.46 0.60 2.29 1.01 -1.26 -5.04 116.67 119.95 2kkl s ASP 34 Ca 0.48 0.20 -0.16 0.00 0.71 0.00 0.00 52.55 53.78 2kkl s ASP 34 Cb -0.34 -2.35 -0.03 0.00 1.01 0.00 0.00 42.92 41.21 2kkl s ASP 34 CO 0.45 -0.64 1.07 0.00 0.21 0.00 0.00 175.17 176.26 2kkl s ALA 35 N 2.83 2.67 -0.92 5.23 0.00 -1.26 -4.91 121.76 125.39 2kkl s ALA 35 Ca 0.26 0.46 0.18 0.00 0.00 0.00 0.00 51.96 52.86 2kkl s ALA 35 Cb -0.14 -3.26 0.76 0.00 0.00 0.00 0.00 23.12 20.48 2kkl s ALA 35 CO 0.15 -0.91 1.57 -0.35 0.00 0.00 0.00 175.76 176.22 2kkl n PRO 36 N -2.07 0.03 -2.22 0.00 -0.04 -1.26 -4.79 135.00 124.66 2kkl n PRO 36 Ca 0.09 0.24 -0.40 0.00 -0.04 0.00 0.00 63.50 63.39 2kkl n PRO 36 Cb 0.52 -1.56 -0.02 0.00 -0.04 0.00 0.00 33.50 32.40 2kkl n PRO 36 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kkl s ALA 37 N -3.04 3.42 0.00 0.55 0.00 -1.26 -5.00 121.76 116.42 2kkl s ALA 37 Ca 0.08 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.17 2kkl s ALA 37 Cb 0.11 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2kkl s ALA 37 CO 0.33 -0.52 0.00 1.04 0.00 0.00 0.00 175.76 176.61 2kkl n GLN 38 N 0.76 0.00 -1.58 0.00 6.02 -1.26 -5.12 117.38 116.20 2kkl n GLN 38 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.02 2kkl n GLN 38 Cb 0.43 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.68 2kkl n GLN 38 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kkl n ALA 39 N -3.00 -2.22 -1.21 -1.58 0.00 -1.26 -4.98 120.51 106.27 2kkl n ALA 39 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2kkl n ALA 39 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 -2.86 0.79 3.60 0.00 0.00 -1.26 -4.94 105.19 100.51 2kkl n GLY 40 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2kkl n GLY 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kkl s THR 41 N 0.66 4.90 0.12 2.61 -4.23 -1.26 -5.04 115.64 113.39 2kkl s THR 41 Ca 0.00 0.91 -0.20 0.00 -1.18 0.00 0.00 61.69 61.22 2kkl s THR 41 Cb 0.00 -4.04 -0.07 0.00 1.34 0.00 0.00 72.50 69.73 2kkl s THR 41 CO 0.00 -0.18 0.63 -0.70 -0.54 0.00 0.00 174.62 173.83 2kkl s GLU 42 N 2.70 4.26 -0.07 3.99 2.56 -1.26 -4.67 118.70 126.22 2kkl s GLU 42 Ca 0.27 0.81 -0.03 0.00 0.00 0.00 0.00 54.97 56.02 2kkl s GLU 42 Cb -0.15 -3.17 0.01 0.00 2.00 0.00 0.00 34.13 32.83 2kkl s GLU 42 CO 0.12 0.58 0.07 0.45 -0.56 0.00 0.00 175.26 175.92 2kkl n SER 43 N 1.49 -5.56 -0.09 -1.70 2.88 -1.26 -4.82 113.62 104.56 2kkl n SER 43 Ca -0.08 1.03 0.14 0.00 -1.33 0.00 0.00 58.87 58.63 2kkl n SER 43 Cb 0.50 -2.75 0.60 0.00 -0.75 0.00 0.00 64.21 61.81 2kkl n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kkl n ALA 44 N 2.10 2.76 -1.84 -1.46 0.00 -1.26 -4.86 120.51 115.94 2kkl n ALA 44 Ca -0.12 -0.25 -0.31 0.00 0.00 0.00 0.00 53.44 52.76 2kkl n ALA 44 Cb 0.24 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 -2.56 4.61 0.00 0.00 -7.23 -1.26 -4.88 120.40 109.08 2kkl s VAL 45 Ca 0.26 0.95 0.00 0.00 -1.81 0.00 0.00 61.98 61.38 2kkl s VAL 45 Cb 0.20 -3.80 0.00 0.00 0.56 0.00 0.00 36.38 33.34 2kkl s VAL 45 CO 0.49 -1.01 0.00 -1.54 -0.31 0.00 0.00 175.10 172.74 2kkl n SER 46 N -2.47 -1.29 0.00 4.85 3.41 -1.26 -4.91 113.62 111.95 2kkl n SER 46 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2kkl n SER 46 Cb 0.54 0.99 0.00 0.00 -0.26 0.00 0.00 64.21 65.48 2kkl n SER 46 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kkl n GLY 47 N -0.82 -2.60 3.71 5.00 0.00 -1.26 -4.63 105.19 104.58 2kkl n GLY 47 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2kkl n GLY 47 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kkl s VAL 48 N -0.88 4.95 -0.25 1.61 -7.23 -1.26 -4.95 120.40 112.39 2kkl s VAL 48 Ca 0.00 1.72 -0.13 0.00 -1.81 0.00 0.00 61.98 61.76 2kkl s VAL 48 Cb 0.00 -4.17 -0.15 0.00 0.56 0.00 0.00 36.38 32.62 2kkl s VAL 48 CO 0.00 0.18 -0.16 -0.62 -0.31 0.00 0.00 175.10 174.19 2kkl n GLU 49 N 4.05 0.60 0.00 4.82 1.02 -1.26 -5.02 120.64 124.85 2kkl n GLU 49 Ca 0.02 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 2kkl n GLU 49 Cb 0.51 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 2kkl n GLU 49 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kkl n GLY 50 N 1.49 -0.47 3.91 0.62 0.00 -1.26 -5.16 105.19 104.31 2kkl n GLY 50 Ca -0.47 0.71 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 2kkl n GLY 50 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kkl s LEU 51 N 0.00 4.12 0.81 0.99 2.34 -1.26 -5.08 118.68 120.60 2kkl s LEU 51 Ca 0.00 0.65 -0.11 0.00 0.06 0.00 0.00 54.13 54.73 2kkl s LEU 51 Cb 0.00 -3.44 0.08 0.00 -0.56 0.00 0.00 46.19 42.26 2kkl s LEU 51 CO 0.00 -0.13 1.10 -2.16 -1.06 0.00 0.00 176.35 174.10 2kkl s PRO 52 N -3.36 1.96 0.46 1.48 0.04 -1.26 -4.79 135.00 129.53 2kkl s PRO 52 Ca 0.43 1.14 -0.24 0.00 0.04 0.00 0.00 61.00 62.37 2kkl s PRO 52 Cb -0.11 -1.86 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 2kkl s PRO 52 CO 0.29 -1.84 1.29 -1.25 0.04 0.00 0.00 177.00 175.52 2kkl s PRO 53 N -4.88 3.70 0.00 0.56 0.04 -1.26 -3.19 135.00 129.96 2kkl s PRO 53 Ca 0.62 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.75 2kkl s PRO 53 Cb -0.18 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.82 2kkl s PRO 53 CO 0.56 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 177.32 2kkl n GLY 54 N 0.62 3.30 3.78 0.56 0.00 -1.26 -5.04 105.19 107.15 2kkl n GLY 54 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 3.85 0.37 0.99 1.02 -1.19 -4.91 118.68 118.81 2kkl s LEU 55 Ca 0.00 0.06 0.04 0.00 0.02 0.00 0.00 54.13 54.25 2kkl s LEU 55 Cb 0.00 -2.42 -0.03 0.00 0.02 0.00 0.00 46.19 43.76 2kkl s LEU 55 CO 0.00 0.21 0.15 0.00 0.02 0.00 0.00 176.35 176.73 2kkl s ALA 56 N -1.31 2.56 0.30 4.21 0.00 -1.26 -4.07 121.76 122.19 2kkl s ALA 56 Ca 0.27 -1.49 -0.17 0.00 0.00 0.00 0.00 51.96 50.57 2kkl s ALA 56 Cb -0.12 0.91 0.02 0.00 0.00 0.00 0.00 23.12 23.93 2kkl s ALA 56 CO 0.19 -0.41 0.66 -0.48 0.00 0.00 0.00 175.76 175.73 2kkl s LEU 57 N -3.52 0.02 0.07 0.00 -0.00 -1.11 -2.00 118.68 112.14 2kkl s LEU 57 Ca 0.29 -0.86 0.05 0.00 -0.00 0.00 0.00 54.13 53.61 2kkl s LEU 57 Cb 0.03 2.45 -0.03 0.00 -0.00 0.00 0.00 46.19 48.65 2kkl s LEU 57 CO 0.17 -1.38 -0.14 -0.76 -0.00 0.00 0.00 176.35 174.24 2kkl s LEU 58 N -3.00 2.26 -0.07 1.48 1.02 -0.78 -2.55 118.68 117.05 2kkl s LEU 58 Ca 0.16 -0.59 0.04 0.00 0.02 0.00 0.00 54.13 53.75 2kkl s LEU 58 Cb -0.04 -0.54 0.00 0.00 0.02 0.00 0.00 46.19 45.63 2kkl s LEU 58 CO 0.09 -0.06 -0.18 -0.69 0.02 0.00 0.00 176.35 175.54 2kkl s VAL 59 N -1.20 1.57 -0.14 -1.59 1.01 -1.02 -1.38 120.40 117.65 2kkl s VAL 59 Ca -0.01 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 2kkl s VAL 59 Cb -0.10 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 2kkl s VAL 59 CO 0.02 0.45 1.37 -0.69 0.00 0.00 0.00 175.10 176.25 2kkl s VAL 60 N 0.36 4.09 -0.45 2.92 1.01 -0.59 -2.00 120.40 125.73 2kkl s VAL 60 Ca -0.13 1.32 0.23 0.00 0.00 0.00 0.00 61.98 63.40 2kkl s VAL 60 Cb -0.15 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 2kkl s VAL 60 CO 0.05 -0.12 1.01 2.29 0.00 0.00 0.00 175.10 178.33 2kkl n LYS 61 N 6.77 0.41 -3.67 2.72 2.85 -1.07 -3.39 118.16 122.77 2kkl n LYS 61 Ca 0.15 0.02 -0.10 0.00 -1.05 0.00 0.00 58.31 57.33 2kkl n LYS 61 Cb 0.44 -1.66 -0.09 0.00 -0.65 0.00 0.00 35.03 33.08 2kkl n LYS 61 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 2kkl s ARG 62 N -3.27 0.57 0.00 -1.58 3.52 -1.25 -4.94 118.95 112.00 2kkl s ARG 62 Ca 0.02 0.94 0.00 0.00 -0.13 0.00 0.00 55.73 56.55 2kkl s ARG 62 Cb 0.13 0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.64 2kkl s ARG 62 CO 0.80 -0.13 0.00 0.41 -0.81 0.00 0.00 175.30 175.57 2kkl n GLY 63 N 3.89 1.74 0.30 8.12 0.00 -1.26 -3.89 105.19 114.09 2kkl n GLY 63 Ca -0.20 -1.30 0.02 0.00 0.00 0.00 0.00 46.02 44.54 2kkl n GLY 63 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kkl h PRO 64 N 0.00 0.80 -1.96 1.61 0.11 -2.02 -2.52 132.00 128.04 2kkl h PRO 64 Ca 0.00 -0.05 -0.76 0.00 0.11 0.00 0.00 66.00 65.30 2kkl h PRO 64 Cb 0.00 -0.18 -0.28 0.00 0.11 0.00 0.00 31.00 30.65 2kkl h PRO 64 CO 0.00 0.53 1.01 0.27 -0.21 0.00 0.00 178.00 179.60 2kkl n ASN 65 N -4.71 7.45 -4.65 -2.05 0.23 -1.26 -5.02 115.26 105.25 2kkl n ASN 65 Ca 0.12 -3.83 -0.42 0.00 -0.53 0.00 0.00 54.58 49.92 2kkl n ASN 65 Cb 0.23 -1.05 0.00 0.00 -2.08 0.00 0.00 39.78 36.89 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 -0.55 0.68 0.00 -2.53 0.00 -0.95 -2.06 120.51 115.10 2kkl n ALA 66 Ca 0.54 0.29 0.00 0.00 0.00 0.00 0.00 53.44 54.27 2kkl n ALA 66 Cb 0.26 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.54 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 0.99 2.97 3.77 0.00 0.00 -1.22 -5.05 105.19 106.65 2kkl n GLY 67 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.17 5.61 -0.01 1.61 0.01 -0.87 -4.82 113.70 114.05 2kkl s SER 68 Ca 0.00 2.23 0.00 0.00 1.31 0.00 0.00 55.95 59.50 2kkl s SER 68 Cb 0.00 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.66 2kkl s SER 68 CO 0.00 -1.30 0.00 0.00 0.41 0.00 0.00 173.24 172.35 2kkl s ARG 69 N -3.27 0.10 -0.27 12.44 1.70 -1.26 -1.55 118.95 126.84 2kkl s ARG 69 Ca 0.74 0.03 -0.04 0.00 -0.47 0.00 0.00 55.73 55.99 2kkl s ARG 69 Cb -0.26 -0.20 0.01 0.00 -0.57 0.00 0.00 34.95 33.94 2kkl s ARG 69 CO 0.29 -0.05 0.01 -0.06 -1.08 0.00 0.00 175.30 174.41 2kkl s PHE 70 N 0.42 3.10 -0.10 5.89 0.08 -0.48 -4.95 117.98 121.93 2kkl s PHE 70 Ca -0.04 -1.22 -0.15 0.00 0.12 0.00 0.00 56.93 55.65 2kkl s PHE 70 Cb -0.06 -2.16 -0.05 0.00 -0.57 0.00 0.00 43.02 40.19 2kkl s PHE 70 CO -0.01 -0.64 0.36 -1.17 -0.10 0.00 0.00 175.22 173.67 2kkl s LEU 71 N 1.42 4.32 -0.08 -0.37 0.20 -1.26 -1.86 118.68 121.05 2kkl s LEU 71 Ca 0.02 0.71 -0.20 0.00 0.69 0.00 0.00 54.13 55.34 2kkl s LEU 71 Cb -0.17 -2.50 -0.04 0.00 -0.43 0.00 0.00 46.19 43.05 2kkl s LEU 71 CO -0.01 0.15 0.56 -0.76 -0.29 0.00 0.00 176.35 176.00 2kkl s LEU 72 N 0.02 4.32 -0.03 -0.68 1.43 -0.84 -4.91 118.68 117.98 2kkl s LEU 72 Ca 0.21 0.99 0.17 0.00 -1.03 0.00 0.00 54.13 54.47 2kkl s LEU 72 Cb -0.14 -2.85 0.31 0.00 0.03 0.00 0.00 46.19 43.53 2kkl s LEU 72 CO 0.08 -0.01 1.13 -0.67 0.23 0.00 0.00 176.35 177.11 2kkl n ASP 73 N 3.48 0.90 -4.05 2.29 2.03 -1.26 -4.36 116.55 115.58 2kkl n ASP 73 Ca -0.05 -2.30 -0.08 0.00 0.52 0.00 0.00 54.79 52.87 2kkl n ASP 73 Cb 0.51 -0.31 -0.10 0.00 -0.72 0.00 0.00 41.12 40.50 2kkl n ASP 73 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2kkl s GLN 74 N -0.57 0.50 0.13 -0.67 -0.21 -1.26 -5.05 119.66 112.51 2kkl s GLN 74 Ca 0.25 -0.96 -0.19 0.00 0.02 0.00 0.00 55.36 54.49 2kkl s GLN 74 Cb 0.28 0.13 -0.06 0.00 1.00 0.00 0.00 33.01 34.36 2kkl s GLN 74 CO -0.10 -0.07 1.78 0.00 -2.12 0.00 0.00 175.29 174.78 2kkl h ALA 75 N 3.81 0.29 -3.27 6.09 0.00 -1.97 -3.41 119.26 120.81 2kkl h ALA 75 Ca -0.33 -0.02 -0.62 0.00 0.00 0.00 0.00 54.91 53.94 2kkl h ALA 75 Cb 1.17 -0.09 -0.34 0.00 0.00 0.00 0.00 17.79 18.53 2kkl h ALA 75 CO 0.55 -0.23 -0.85 0.42 0.00 0.00 0.00 179.25 179.14 2kkl s ILE 76 N -6.16 1.72 -0.15 0.00 1.01 -1.26 -0.70 121.20 115.67 2kkl s ILE 76 Ca -0.13 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.75 2kkl s ILE 76 Cb 0.09 -1.54 0.01 0.00 0.01 0.00 0.00 42.46 41.03 2kkl s ILE 76 CO 0.70 0.49 -0.21 -0.89 0.00 0.00 0.00 174.94 175.02 2kkl s THR 77 N 0.81 2.11 0.40 2.92 2.01 -0.88 -4.99 115.64 118.03 2kkl s THR 77 Ca -0.09 -0.95 -0.09 0.00 0.31 0.00 0.00 61.69 60.86 2kkl s THR 77 Cb -0.16 -1.85 -0.06 0.00 0.01 0.00 0.00 72.50 70.44 2kkl s THR 77 CO 0.00 0.54 0.75 -0.44 -0.69 0.00 0.00 174.62 174.79 2kkl s SER 78 N 0.91 6.48 -0.07 3.53 0.01 -1.26 -0.89 113.70 122.40 2kkl s SER 78 Ca -0.04 1.07 0.04 0.00 1.31 0.00 0.00 55.95 58.32 2kkl s SER 78 Cb -0.15 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2kkl s SER 78 CO -0.04 -0.40 -0.20 0.00 0.41 0.00 0.00 173.24 173.01 2kkl s ALA 79 N -2.39 1.81 0.00 1.44 0.00 -0.71 -4.41 121.76 117.50 2kkl s ALA 79 Ca 0.50 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.68 2kkl s ALA 79 Cb -0.10 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.35 2kkl s ALA 79 CO 0.33 0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.76 2kkl n GLY 80 N 3.45 -0.26 3.34 0.00 0.00 -1.26 -3.43 105.19 107.02 2kkl n GLY 80 Ca -0.20 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 2kkl n GLY 80 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kkl s ARG 81 N -1.78 3.37 -0.14 1.61 3.52 -1.25 -1.59 118.95 122.69 2kkl s ARG 81 Ca 0.00 -0.66 -0.30 0.00 -0.13 0.00 0.00 55.73 54.64 2kkl s ARG 81 Cb 0.00 -2.79 0.12 0.00 -1.56 0.00 0.00 34.95 30.73 2kkl s ARG 81 CO 0.00 0.03 0.99 -1.01 -0.81 0.00 0.00 175.30 174.51 2kkl s HIS 82 N 0.83 -0.35 0.21 5.12 3.76 -1.26 -4.95 115.29 118.65 2kkl s HIS 82 Ca -0.03 0.53 0.36 0.00 -0.15 0.00 0.00 55.06 55.77 2kkl s HIS 82 Cb -0.15 0.47 1.63 0.00 1.11 0.00 0.00 32.58 35.64 2kkl s HIS 82 CO 0.01 -0.37 2.07 -1.00 -0.85 0.00 0.00 174.74 174.60 2kkl h PRO 83 N 2.43 0.00 0.00 8.40 0.13 -2.01 -3.44 132.00 137.52 2kkl h PRO 83 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 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 0.31 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.83 2kkl n ASP 84 N -3.01 0.00 -1.71 1.44 8.00 -1.26 -5.11 116.55 114.90 2kkl n ASP 84 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2kkl n ASP 84 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 2kkl n ASP 84 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2kkl n SER 85 N 0.00 -8.45 -0.18 -2.24 7.64 -1.26 -4.70 113.62 104.43 2kkl n SER 85 Ca 0.00 1.25 -0.08 0.00 1.01 0.00 0.00 58.87 61.05 2kkl n SER 85 Cb 0.00 -4.97 0.01 0.00 -1.01 0.00 0.00 64.21 58.25 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 1.96 0.72 -3.70 6.43 3.32 -1.91 -3.39 116.42 119.85 2kkl h ASP 86 Ca 0.00 -0.17 -0.68 0.00 0.02 0.00 0.00 57.03 56.20 2kkl h ASP 86 Cb 0.00 -0.19 -0.20 0.00 0.22 0.00 0.00 39.33 39.17 2kkl h ASP 86 CO 0.00 0.70 -0.49 -0.63 -1.72 0.00 0.00 179.24 177.10 2kkl s ILE 87 N -5.53 5.16 -0.34 0.35 1.01 -1.26 -4.83 121.20 115.76 2kkl s ILE 87 Ca -0.13 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2kkl s ILE 87 Cb 0.12 -3.65 0.11 0.00 0.01 0.00 0.00 42.46 39.04 2kkl s ILE 87 CO 0.78 -0.00 0.12 0.72 0.00 0.00 0.00 174.94 176.55 2kkl s PHE 88 N 1.70 1.99 -0.23 3.97 -0.71 -1.26 -4.06 117.98 119.37 2kkl s PHE 88 Ca 0.06 -2.01 -0.13 0.00 -1.04 0.00 0.00 56.93 53.81 2kkl s PHE 88 Cb -0.17 -1.88 -0.04 0.00 -1.21 0.00 0.00 43.02 39.71 2kkl s PHE 88 CO 0.10 -0.87 0.29 -0.51 -1.34 0.00 0.00 175.22 172.89 2kkl s LEU 89 N 1.30 4.11 0.00 -1.99 1.43 -0.62 -5.00 118.68 117.91 2kkl s LEU 89 Ca 0.11 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 2kkl s LEU 89 Cb -0.19 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.71 2kkl s LEU 89 CO -0.18 -0.05 0.00 -0.67 0.23 0.00 0.00 176.35 175.68 2kkl n ASP 90 N 4.61 0.00 -1.42 2.29 2.03 -1.26 -4.28 116.55 118.53 2kkl n ASP 90 Ca -0.11 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.38 2kkl n ASP 90 Cb 0.51 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.85 2kkl n ASP 90 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kkl n ASP 91 N 0.00 -8.35 -4.56 1.67 2.03 -1.26 -4.64 116.55 101.44 2kkl n ASP 91 Ca 0.00 0.93 -0.42 0.00 0.52 0.00 0.00 54.79 55.82 2kkl n ASP 91 Cb 0.00 -4.54 -0.07 0.00 -0.72 0.00 0.00 41.12 35.80 2kkl n ASP 91 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2kkl s VAL 92 N -3.11 4.90 0.00 5.18 1.01 -1.26 -4.40 120.40 122.71 2kkl s VAL 92 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.49 2kkl s VAL 92 Cb 0.00 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.30 2kkl s VAL 92 CO 0.00 -0.33 0.00 0.35 0.00 0.00 0.00 175.10 175.12 2kkl n THR 93 N 5.60 0.00 -4.91 3.92 -2.24 -1.26 -5.10 114.28 110.29 2kkl n THR 93 Ca -0.02 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.44 2kkl n THR 93 Cb 0.49 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.57 2kkl n THR 93 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2kkl s VAL 94 N 0.00 2.81 0.62 2.28 1.01 -1.26 -4.40 120.40 121.46 2kkl s VAL 94 Ca 0.00 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 2kkl s VAL 94 Cb 0.00 -2.14 0.15 0.00 0.00 0.00 0.00 36.38 34.38 2kkl s VAL 94 CO 0.00 0.54 0.75 -1.54 0.00 0.00 0.00 175.10 174.85 2kkl n SER 95 N 3.28 -0.44 -0.28 3.32 3.41 -1.26 -4.78 113.62 116.88 2kkl n SER 95 Ca -0.18 -1.17 -0.04 0.00 -0.26 0.00 0.00 58.87 57.22 2kkl n SER 95 Cb 0.53 -0.60 0.12 0.00 -0.26 0.00 0.00 64.21 64.00 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 0.00 1.14 -1.78 4.33 3.08 -1.92 -3.32 114.38 115.90 2kkl h ARG 96 Ca -0.25 -0.16 -0.46 0.00 0.07 0.00 0.00 59.98 59.19 2kkl h ARG 96 Cb 0.71 -0.21 -0.40 0.00 0.08 0.00 0.00 29.97 30.15 2kkl h ARG 96 CO 0.17 0.87 -1.19 0.54 -1.07 0.00 0.00 179.97 179.29 2kkl n ARG 97 N -4.32 1.03 -0.33 0.04 1.74 -1.26 -3.93 116.66 109.64 2kkl n ARG 97 Ca 0.08 -3.37 -0.04 0.00 -0.77 0.00 0.00 57.85 53.75 2kkl n ARG 97 Cb 0.13 -1.61 0.09 0.00 -1.02 0.00 0.00 32.46 30.04 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 3.00 1.23 -3.74 -1.55 2.76 -1.65 -3.45 115.15 111.76 2kkl h HIS 98 Ca 0.06 -0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.08 2kkl h HIS 98 Cb 1.01 -0.39 -0.16 0.00 1.55 0.00 0.00 27.41 29.41 2kkl h HIS 98 CO 0.47 0.86 -0.45 0.00 -1.30 0.00 0.00 177.93 177.51 2kkl s ALA 99 N -5.83 -0.18 0.02 5.26 0.00 -1.26 -4.04 121.76 115.73 2kkl s ALA 99 Ca -0.13 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.34 2kkl s ALA 99 Cb 0.17 0.32 -0.01 0.00 0.00 0.00 0.00 23.12 23.59 2kkl s ALA 99 CO 0.83 -0.38 -0.05 -2.00 0.00 0.00 0.00 175.76 174.16 2kkl s GLU 100 N -2.96 0.39 0.03 0.00 2.12 -1.08 -1.73 118.70 115.47 2kkl s GLU 100 Ca -0.02 -0.47 0.04 0.00 0.36 0.00 0.00 54.97 54.88 2kkl s GLU 100 Cb 0.01 -0.21 -0.03 0.00 0.26 0.00 0.00 34.13 34.15 2kkl s GLU 100 CO -0.06 0.04 -0.08 -0.06 -0.54 0.00 0.00 175.26 174.56 2kkl s PHE 101 N -0.86 2.84 0.03 5.30 0.08 -0.07 -1.91 117.98 123.38 2kkl s PHE 101 Ca -0.06 -0.08 0.04 0.00 0.12 0.00 0.00 56.93 56.95 2kkl s PHE 101 Cb -0.06 -1.56 -0.02 0.00 -0.57 0.00 0.00 43.02 40.81 2kkl s PHE 101 CO -0.00 0.38 -0.13 1.03 -0.10 0.00 0.00 175.22 176.40 2kkl s ARG 102 N -1.61 0.90 -0.20 0.44 0.52 -0.79 -2.07 118.95 116.13 2kkl s ARG 102 Ca 0.18 -0.67 -0.07 0.00 -0.52 0.00 0.00 55.73 54.65 2kkl s ARG 102 Cb -0.11 -0.88 -0.04 0.00 0.52 0.00 0.00 34.95 34.44 2kkl s ARG 102 CO 0.09 0.22 0.05 -1.17 0.02 0.00 0.00 175.30 174.52 2kkl s LEU 103 N -0.96 3.62 -0.05 2.53 2.96 0.12 -0.44 118.68 126.47 2kkl s LEU 103 Ca 0.01 -0.05 -0.28 0.00 -0.22 0.00 0.00 54.13 53.60 2kkl s LEU 103 Cb -0.07 -1.93 0.06 0.00 0.50 0.00 0.00 46.19 44.75 2kkl s LEU 103 CO 0.01 0.10 0.61 -0.70 -1.32 0.00 0.00 176.35 175.05 2kkl s GLU 104 N 0.81 0.98 -1.44 1.98 2.12 -0.80 -4.91 118.70 117.45 2kkl s GLU 104 Ca 0.03 0.18 -0.06 0.00 0.36 0.00 0.00 54.97 55.48 2kkl s GLU 104 Cb -0.14 0.46 0.03 0.00 0.26 0.00 0.00 34.13 34.75 2kkl s GLU 104 CO 0.02 -0.30 0.55 0.09 -0.54 0.00 0.00 175.26 175.08 2kkl n ASN 105 N 1.00 -5.12 -2.65 -1.70 3.02 -1.26 -0.64 115.26 107.89 2kkl n ASN 105 Ca -0.19 -0.32 -0.18 0.00 -0.03 0.00 0.00 54.58 53.86 2kkl n ASN 105 Cb 0.57 -4.17 0.00 0.00 -0.61 0.00 0.00 39.78 35.57 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 -2.42 -4.78 -3.82 6.41 3.02 -1.26 -4.95 115.26 107.46 2kkl n ASN 106 Ca -0.08 -0.02 -0.12 0.00 -0.03 0.00 0.00 54.58 54.33 2kkl n ASN 106 Cb 0.59 -3.99 -0.13 0.00 -0.61 0.00 0.00 39.78 35.64 2kkl n ASN 106 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2kkl s GLU 107 N -5.28 0.14 0.38 3.52 2.02 0.18 -4.97 118.70 114.69 2kkl s GLU 107 Ca 0.11 0.20 -0.25 0.00 0.02 0.00 0.00 54.97 55.05 2kkl s GLU 107 Cb -0.05 0.05 -0.09 0.00 0.10 0.00 0.00 34.13 34.13 2kkl s GLU 107 CO 0.13 -0.03 1.01 -0.06 0.02 0.00 0.00 175.26 176.33 2kkl s PHE 108 N 0.18 3.41 0.15 1.61 0.08 -1.26 -1.91 117.98 120.24 2kkl s PHE 108 Ca -0.01 1.68 0.05 0.00 0.12 0.00 0.00 56.93 58.77 2kkl s PHE 108 Cb -0.02 -3.04 -0.04 0.00 -0.57 0.00 0.00 43.02 39.34 2kkl s PHE 108 CO -0.00 -0.32 -0.11 -0.80 -0.10 0.00 0.00 175.22 173.88 2kkl s ASN 109 N -1.62 1.87 -0.11 1.36 0.01 0.42 -2.14 114.94 114.73 2kkl s ASN 109 Ca 0.55 -0.97 0.03 0.00 -0.71 0.00 0.00 52.86 51.76 2kkl s ASN 109 Cb -0.20 -0.03 0.01 0.00 0.41 0.00 0.00 41.25 41.44 2kkl s ASN 109 CO 0.25 -0.29 -0.20 0.54 -1.51 0.00 0.00 177.10 175.90 2kkl s VAL 110 N -3.08 1.82 -0.06 1.60 0.11 -1.07 -1.88 120.40 117.84 2kkl s VAL 110 Ca 0.15 -0.86 0.04 0.00 -2.93 0.00 0.00 61.98 58.38 2kkl s VAL 110 Cb 0.01 -1.60 0.00 0.00 -1.53 0.00 0.00 36.38 33.26 2kkl s VAL 110 CO 0.01 0.51 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.43 2kkl s VAL 111 N 0.61 1.43 0.04 2.04 1.01 -0.80 -2.67 120.40 122.06 2kkl s VAL 111 Ca -0.13 -0.69 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 2kkl s VAL 111 Cb -0.17 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 2kkl s VAL 111 CO 0.04 0.42 0.33 1.51 0.00 0.00 0.00 175.10 177.40 2kkl s ASP 112 N 0.28 6.56 -1.28 3.32 -4.77 -1.26 -2.64 116.67 116.88 2kkl s ASP 112 Ca -0.10 0.67 -0.18 0.00 -3.30 0.00 0.00 52.55 49.65 2kkl s ASP 112 Cb -0.14 -2.13 0.02 0.00 -1.09 0.00 0.00 42.92 39.58 2kkl s ASP 112 CO 0.04 0.21 1.94 1.33 0.70 0.00 0.00 175.17 179.38 2kkl n VAL 113 N 1.00 3.32 0.00 2.11 0.24 -1.26 -4.80 118.33 118.95 2kkl n VAL 113 Ca -0.10 -3.24 0.00 0.00 -2.04 0.00 0.00 64.34 58.96 2kkl n VAL 113 Cb 0.52 -2.40 0.00 0.00 -1.47 0.00 0.00 33.84 30.49 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 4.96 2.01 0.33 7.63 0.00 -1.26 -4.75 105.19 114.11 2kkl n GLY 114 Ca 0.49 -2.02 -0.04 0.00 0.00 0.00 0.00 46.02 44.46 2kkl n GLY 114 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kkl h SER 115 N 0.00 1.00 -3.25 1.61 0.02 -1.99 -3.40 113.55 107.54 2kkl h SER 115 Ca 0.00 -0.07 -0.56 0.00 -0.84 0.00 0.00 61.79 60.33 2kkl h SER 115 Cb 0.00 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 2kkl h SER 115 CO 0.00 0.77 0.57 -0.22 -1.14 0.00 0.00 176.83 176.81 2kkl s LEU 116 N -10.01 4.26 -0.09 5.07 2.96 -1.26 -4.99 118.68 114.62 2kkl s LEU 116 Ca -0.13 1.58 -0.32 0.00 -0.22 0.00 0.00 54.13 55.04 2kkl s LEU 116 Cb 0.16 -3.56 0.12 0.00 0.50 0.00 0.00 46.19 43.41 2kkl s LEU 116 CO 0.80 -0.45 1.19 0.21 -1.32 0.00 0.00 176.35 176.79 2kkl s ASN 117 N 1.13 -0.13 0.00 3.68 2.47 -1.26 -4.78 114.94 116.06 2kkl s ASN 117 Ca 0.50 -0.08 0.24 0.00 0.42 0.00 0.00 52.86 53.94 2kkl s ASN 117 Cb -0.19 0.19 0.29 0.00 -1.45 0.00 0.00 41.25 40.09 2kkl s ASN 117 CO 0.19 -0.33 1.27 0.61 -3.72 0.00 0.00 177.10 175.12 2kkl n GLY 118 N -0.27 -0.44 3.72 1.21 0.00 -1.26 -4.92 105.19 103.23 2kkl n GLY 118 Ca -0.04 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 2kkl n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kkl s THR 119 N -2.60 3.07 0.02 2.61 2.01 -1.25 -4.41 115.64 115.09 2kkl s THR 119 Ca 0.19 0.78 -0.06 0.00 0.31 0.00 0.00 61.69 62.90 2kkl s THR 119 Cb 0.18 -3.50 -0.00 0.00 0.01 0.00 0.00 72.50 69.19 2kkl s THR 119 CO 0.60 0.07 0.12 -0.31 -0.69 0.00 0.00 174.62 174.41 2kkl s TYR 120 N 0.99 0.11 -0.02 4.92 2.02 -1.18 -4.63 117.35 119.55 2kkl s TYR 120 Ca 0.65 -0.30 0.04 0.00 -0.37 0.00 0.00 57.07 57.09 2kkl s TYR 120 Cb -0.39 -0.09 -0.01 0.00 -0.40 0.00 0.00 41.96 41.07 2kkl s TYR 120 CO 0.32 -0.32 -0.14 0.54 -1.57 0.00 0.00 175.55 174.38 2kkl s VAL 121 N -1.93 1.12 -1.44 0.71 0.11 -1.12 -3.16 120.40 114.69 2kkl s VAL 121 Ca -0.11 -0.59 -0.08 0.00 -2.93 0.00 0.00 61.98 58.27 2kkl s VAL 121 Cb -0.05 -0.94 0.02 0.00 -1.53 0.00 0.00 36.38 33.88 2kkl s VAL 121 CO -0.01 0.32 0.97 0.59 -3.33 0.00 0.00 175.10 173.64 2kkl n ASN 122 N 2.85 -6.10 -3.45 3.54 3.02 -1.24 -1.72 115.26 112.16 2kkl n ASN 122 Ca -0.15 -0.48 -0.24 0.00 -0.03 0.00 0.00 54.58 53.68 2kkl n ASN 122 Cb 0.55 -4.85 -0.01 0.00 -0.61 0.00 0.00 39.78 34.86 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 -4.64 -3.26 -3.84 3.52 1.74 -1.26 -4.93 116.66 103.98 2kkl n ARG 123 Ca -0.03 0.44 -0.12 0.00 -0.77 0.00 0.00 57.85 57.37 2kkl n ARG 123 Cb 0.58 -5.14 -0.10 0.00 -1.02 0.00 0.00 32.46 26.78 2kkl n ARG 123 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2kkl s GLU 124 N -6.10 0.46 0.37 5.56 -6.30 -0.70 -5.14 118.70 106.85 2kkl s GLU 124 Ca 0.43 -0.26 -0.28 0.00 -2.50 0.00 0.00 54.97 52.36 2kkl s GLU 124 Cb -0.23 0.20 -0.11 0.00 0.00 0.00 0.00 34.13 33.99 2kkl s GLU 124 CO 0.53 -0.11 1.46 -1.25 0.02 0.00 0.00 175.26 175.92 2kkl s PRO 125 N -1.12 4.14 0.11 4.30 0.04 -1.26 -2.79 135.00 138.42 2kkl s PRO 125 Ca -0.12 2.52 -0.09 0.00 0.04 0.00 0.00 61.00 63.35 2kkl s PRO 125 Cb -0.06 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.49 2kkl s PRO 125 CO 0.02 -0.49 0.23 0.54 0.04 0.00 0.00 177.00 177.34 2kkl s VAL 126 N -1.10 0.12 -0.56 -0.36 0.11 -1.26 -4.90 120.40 112.44 2kkl s VAL 126 Ca 0.52 -1.17 0.07 0.00 -2.93 0.00 0.00 61.98 58.47 2kkl s VAL 126 Cb -0.46 -1.44 0.28 0.00 -1.53 0.00 0.00 36.38 33.24 2kkl s VAL 126 CO 0.61 -0.54 0.76 -0.67 -3.33 0.00 0.00 175.10 171.94 2kkl n ASP 127 N -0.11 3.15 -0.50 3.54 -0.08 -1.26 -4.96 116.55 116.33 2kkl n ASP 127 Ca -0.13 -3.35 0.00 0.00 -1.51 0.00 0.00 54.79 49.79 2kkl n ASP 127 Cb 0.63 -0.63 0.00 0.00 2.34 0.00 0.00 41.12 43.45 2kkl n ASP 127 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2kkl n SER 128 N 0.63 -1.52 -3.78 1.67 3.41 -1.26 -4.94 113.62 107.83 2kkl n SER 128 Ca 0.28 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.80 2kkl n SER 128 Cb 0.44 -0.76 -0.06 0.00 -0.26 0.00 0.00 64.21 63.57 2kkl n SER 128 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kkl s ALA 129 N 0.00 -0.50 0.08 7.33 0.00 -1.09 -5.03 121.76 122.55 2kkl s ALA 129 Ca 0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 51.96 51.25 2kkl s ALA 129 Cb 0.00 0.63 -0.05 0.00 0.00 0.00 0.00 23.12 23.69 2kkl s ALA 129 CO 0.00 -0.59 0.99 0.08 0.00 0.00 0.00 175.76 176.24 2kkl s VAL 130 N -3.85 4.51 0.43 0.00 1.01 -1.26 -2.60 120.40 118.63 2kkl s VAL 130 Ca 0.06 1.99 -0.22 0.00 0.00 0.00 0.00 61.98 63.80 2kkl s VAL 130 Cb 0.03 -4.27 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 2kkl s VAL 130 CO -0.10 0.26 1.02 -0.76 0.00 0.00 0.00 175.10 175.52 2kkl s LEU 131 N 0.30 4.03 0.01 3.92 1.43 -0.91 -4.95 118.68 122.50 2kkl s LEU 131 Ca 0.49 1.92 -0.03 0.00 -1.03 0.00 0.00 54.13 55.48 2kkl s LEU 131 Cb -0.24 -4.36 -0.01 0.00 0.03 0.00 0.00 46.19 41.62 2kkl s LEU 131 CO 0.30 -0.52 0.05 0.00 0.23 0.00 0.00 176.35 176.41 2kkl s ALA 132 N -1.86 -0.10 0.13 4.21 0.00 -1.26 -4.72 121.76 118.16 2kkl s ALA 132 Ca 0.61 -0.29 -0.35 0.00 0.00 0.00 0.00 51.96 51.93 2kkl s ALA 132 Cb -0.17 0.09 -0.16 0.00 0.00 0.00 0.00 23.12 22.88 2kkl s ALA 132 CO 0.22 -0.16 1.26 0.27 0.00 0.00 0.00 175.76 177.35 2kkl n ASN 133 N 1.76 1.53 0.00 0.00 6.94 -1.26 -1.12 115.26 123.11 2kkl n ASN 133 Ca -0.22 1.13 0.00 0.00 -0.02 0.00 0.00 54.58 55.47 2kkl n ASN 133 Cb 0.56 -1.21 0.00 0.00 -2.36 0.00 0.00 39.78 36.77 2kkl n ASN 133 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kkl n GLY 134 N 2.28 0.66 3.87 4.83 0.00 -0.92 -4.98 105.19 110.93 2kkl n GLY 134 Ca 0.17 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.20 6.65 -0.09 1.61 1.01 -0.27 -4.92 116.67 118.47 2kkl s ASP 135 Ca 0.00 1.01 0.01 0.00 0.71 0.00 0.00 52.55 54.28 2kkl s ASP 135 Cb 0.00 -2.26 -0.03 0.00 1.01 0.00 0.00 42.92 41.64 2kkl s ASP 135 CO 0.00 -0.12 -0.09 -1.61 0.21 0.00 0.00 175.17 173.56 2kkl s GLU 136 N -2.91 2.92 -0.04 8.23 2.02 -1.26 0.26 118.70 127.91 2kkl s GLU 136 Ca 0.49 -0.60 0.03 0.00 0.02 0.00 0.00 54.97 54.91 2kkl s GLU 136 Cb -0.11 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.53 2kkl s GLU 136 CO 0.21 0.52 -0.14 0.08 0.02 0.00 0.00 175.26 175.95 2kkl s VAL 137 N -0.44 1.19 -0.17 2.63 1.01 0.73 -3.60 120.40 121.74 2kkl s VAL 137 Ca 0.06 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.47 2kkl s VAL 137 Cb -0.12 -1.04 0.03 0.00 0.00 0.00 0.00 36.38 35.25 2kkl s VAL 137 CO 0.02 0.35 -0.13 -1.58 0.00 0.00 0.00 175.10 173.77 2kkl s GLN 138 N 0.17 2.21 -0.06 2.72 0.74 -1.19 0.07 119.66 124.32 2kkl s GLN 138 Ca -0.05 -0.71 0.01 0.00 0.05 0.00 0.00 55.36 54.66 2kkl s GLN 138 Cb -0.11 -2.28 0.02 0.00 1.10 0.00 0.00 33.01 31.74 2kkl s GLN 138 CO 0.02 -0.33 -0.07 0.42 -0.55 0.00 0.00 175.29 174.78 2kkl s ILE 139 N 1.43 0.80 -1.17 -2.34 1.01 -0.48 -3.12 121.20 117.33 2kkl s ILE 139 Ca 0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 60.37 2kkl s ILE 139 Cb -0.14 -0.79 0.00 0.00 0.01 0.00 0.00 42.46 41.54 2kkl s ILE 139 CO -0.10 0.29 1.00 0.61 0.00 0.00 0.00 174.94 176.74 2kkl n GLY 140 N 4.10 -0.36 4.49 6.18 0.00 -1.26 -1.99 105.19 116.35 2kkl n GLY 140 Ca -0.22 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.24 0.00 -2.09 1.61 3.00 -1.26 -4.76 118.16 110.42 2kkl n LYS 141 Ca -0.14 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.76 2kkl n LYS 141 Cb 0.61 -1.06 -0.02 0.00 0.00 0.00 0.00 35.03 34.55 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 -0.03 3.06 -0.21 5.64 0.08 -0.84 -5.00 117.98 120.67 2kkl s PHE 142 Ca 0.00 1.23 -0.06 0.00 0.12 0.00 0.00 56.93 58.22 2kkl s PHE 142 Cb 0.00 -3.73 -0.03 0.00 -0.57 0.00 0.00 43.02 38.69 2kkl s PHE 142 CO 0.00 -2.20 0.03 1.03 -0.10 0.00 0.00 175.22 173.99 2kkl s ARG 143 N -0.96 3.70 0.07 0.44 0.52 -1.25 -1.38 118.95 120.08 2kkl s ARG 143 Ca 0.54 -0.47 0.07 0.00 -0.52 0.00 0.00 55.73 55.35 2kkl s ARG 143 Cb -0.40 -3.17 -0.03 0.00 0.52 0.00 0.00 34.95 31.87 2kkl s ARG 143 CO 0.47 0.02 -0.19 -0.51 0.02 0.00 0.00 175.30 175.11 2kkl s LEU 144 N 1.02 2.23 -0.18 2.53 1.02 0.11 -2.61 118.68 122.81 2kkl s LEU 144 Ca 0.03 -0.59 -0.05 0.00 0.02 0.00 0.00 54.13 53.54 2kkl s LEU 144 Cb -0.14 -0.83 -0.03 0.00 0.02 0.00 0.00 46.19 45.22 2kkl s LEU 144 CO 0.02 0.07 -0.01 0.54 0.02 0.00 0.00 176.35 176.99 2kkl s VAL 145 N -1.01 3.95 -0.25 -1.59 0.11 -0.85 -0.19 120.40 120.58 2kkl s VAL 145 Ca 0.05 -0.32 -0.20 0.00 -2.93 0.00 0.00 61.98 58.58 2kkl s VAL 145 Cb -0.09 -2.77 -0.02 0.00 -1.53 0.00 0.00 36.38 31.97 2kkl s VAL 145 CO 0.03 0.45 0.62 0.12 -3.33 0.00 0.00 175.10 172.99 2kkl s PHE 146 N 0.76 3.29 0.07 1.54 5.36 0.14 -2.43 117.98 126.72 2kkl s PHE 146 Ca -0.00 0.82 0.04 0.00 -0.96 0.00 0.00 56.93 56.83 2kkl s PHE 146 Cb -0.14 -2.83 -0.03 0.00 -0.34 0.00 0.00 43.02 39.68 2kkl s PHE 146 CO 0.02 -0.30 -0.13 -0.51 -1.46 0.00 0.00 175.22 172.84 2kkl s LEU 147 N 2.41 2.28 -0.15 6.12 1.43 -1.06 -2.16 118.68 127.55 2kkl s LEU 147 Ca 0.26 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 2kkl s LEU 147 Cb -0.16 -0.43 0.01 0.00 0.03 0.00 0.00 46.19 45.64 2kkl s LEU 147 CO 0.09 -0.12 -0.19 0.42 0.23 0.00 0.00 176.35 176.78 2kkl s THR 148 N -1.39 2.28 -0.58 5.49 -4.23 -1.26 -2.74 115.64 113.22 2kkl s THR 148 Ca -0.03 -0.90 -0.20 0.00 -1.18 0.00 0.00 61.69 59.38 2kkl s THR 148 Cb -0.09 -1.94 0.07 0.00 1.34 0.00 0.00 72.50 71.88 2kkl s THR 148 CO 0.02 0.53 0.77 -0.83 -0.54 0.00 0.00 174.62 174.57 2kkl s GLY 149 N 0.88 1.63 0.00 3.99 0.00 -1.26 -4.66 107.32 107.90 2kkl s GLY 149 Ca -0.05 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 42.80 2kkl s GLY 149 CO -0.02 1.72 0.36 -2.39 0.00 0.00 0.00 173.10 172.76 2kkl n HIS 150 N 6.75 0.00 -0.24 1.90 1.44 -1.26 -4.34 115.22 119.47 2kkl n HIS 150 Ca -0.06 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.65 2kkl n HIS 150 Cb 0.45 0.13 0.00 0.00 0.12 0.00 0.00 29.99 30.69 2kkl n HIS 150 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2kkl n LYS 151 N 0.00 0.00 -2.06 -1.40 5.02 -1.26 -4.41 118.16 114.06 2kkl n LYS 151 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 2kkl n LYS 151 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.50 2kkl n LYS 151 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2kkl s GLN 152 N 0.00 4.27 0.00 1.97 0.74 -1.26 -4.87 119.66 120.51 2kkl s GLN 152 Ca 0.00 2.21 0.00 0.00 0.05 0.00 0.00 55.36 57.62 2kkl s GLN 152 Cb 0.00 -3.21 0.00 0.00 1.10 0.00 0.00 33.01 30.90 2kkl s GLN 152 CO 0.00 -0.52 0.00 0.41 -0.55 0.00 0.00 175.29 174.63 2kkl n GLY 153 N 3.62 0.13 3.77 2.59 0.00 -1.26 -5.14 105.19 108.90 2kkl n GLY 153 Ca 0.13 0.47 -0.40 0.00 0.00 0.00 0.00 46.02 46.21 2kkl n GLY 153 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kkl s GLU 154 N 0.00 4.38 0.00 1.61 -1.05 -1.26 -4.90 118.70 117.47 2kkl s GLU 154 Ca 0.00 2.05 0.16 0.00 -0.15 0.00 0.00 54.97 57.03 2kkl s GLU 154 Cb 0.00 -3.04 0.48 0.00 -0.44 0.00 0.00 34.13 31.13 2kkl s GLU 154 CO 0.00 -0.11 1.39 -0.25 0.95 0.00 0.00 175.26 177.24 2kkl n ASP 155 N 0.78 2.49 -4.67 0.83 8.00 -1.26 -4.89 116.55 117.83 2kkl n ASP 155 Ca 0.00 -1.95 -0.43 0.00 0.71 0.00 0.00 54.79 53.13 2kkl n ASP 155 Cb 0.43 -0.28 -0.02 0.00 -0.02 0.00 0.00 41.12 41.23 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 -1.13 4.22 0.09 0.64 1.43 -1.26 -4.57 118.68 118.09 2kkl s LEU 156 Ca 0.33 1.67 0.00 0.00 -1.03 0.00 0.00 54.13 55.10 2kkl s LEU 156 Cb 0.17 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.84 2kkl s LEU 156 CO 0.23 -0.63 0.00 1.21 0.23 0.00 0.00 176.35 177.39 2kkl n GLU 157 N 5.79 0.00 -0.18 1.70 4.07 -1.26 -4.95 120.64 125.80 2kkl n GLU 157 Ca 0.12 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.12 2kkl n GLU 157 Cb 0.46 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.87 2kkl n GLU 157 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2kkl h HIS 158 N 0.00 1.14 -3.89 4.31 3.86 -2.02 -3.43 115.15 115.12 2kkl h HIS 158 Ca 0.00 -0.23 -0.51 0.00 -1.16 0.00 0.00 60.37 58.46 2kkl h HIS 158 Cb 0.00 -0.28 0.05 0.00 1.06 0.00 0.00 27.41 28.24 2kkl h HIS 158 CO 0.00 1.05 0.56 -1.01 0.86 0.00 0.00 177.93 179.39 2kkl s HIS 159 N -4.85 3.15 -0.48 2.45 3.76 -1.26 -5.00 115.29 113.06 2kkl s HIS 159 Ca -0.11 1.52 0.03 0.00 -0.15 0.00 0.00 55.06 56.35 2kkl s HIS 159 Cb 0.13 -3.50 0.15 0.00 1.11 0.00 0.00 32.58 30.47 2kkl s HIS 159 CO 0.86 -1.41 0.30 -1.01 -0.85 0.00 0.00 174.74 172.63 2kkl s HIS 160 N -1.25 2.08 -0.95 1.40 0.09 -1.26 -4.91 115.29 110.50 2kkl s HIS 160 Ca 0.51 -2.56 0.25 0.00 -0.00 0.00 0.00 55.06 53.26 2kkl s HIS 160 Cb -0.35 -1.84 0.51 0.00 -0.00 0.00 0.00 32.58 30.90 2kkl s HIS 160 CO 0.45 -0.75 1.42 0.72 -0.00 0.00 0.00 174.74 176.58 2kkl n HIS 161 N 3.14 0.07 0.78 1.40 8.25 -1.26 -3.54 115.22 124.05 2kkl n HIS 161 Ca 0.15 0.02 0.13 0.00 -0.26 0.00 0.00 57.72 57.75 2kkl n HIS 161 Cb 0.37 -0.31 0.39 0.00 1.12 0.00 0.00 29.99 31.56 2kkl n HIS 161 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kkl n HIS 162 N -1.58 0.44 -0.21 4.41 -0.00 -1.26 -5.33 115.22 111.69 2kkl n HIS 162 Ca 0.05 0.13 0.00 0.00 -0.00 0.00 0.00 57.72 57.90 2kkl n HIS 162 Cb 0.35 -0.65 0.00 0.00 -0.00 0.00 0.00 29.99 29.69 2kkl n HIS 162 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06