#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 0.05 -3.64 6.34 -1.74 -1.26 -4.71 117.46 112.50 2kkl n PHE 25 Ca 0.00 -0.02 -0.01 0.00 -0.56 0.00 0.00 57.45 56.85 2kkl n PHE 25 Cb 0.00 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 40.96 2kkl n PHE 25 CO 0.00 0.00 0.00 0.50 -0.56 0.00 0.00 176.76 176.70 2kkl s ARG 26 N -1.95 0.57 0.69 3.97 3.52 -1.26 -5.15 118.95 119.34 2kkl s ARG 26 Ca 0.36 1.43 -0.15 0.00 -0.13 0.00 0.00 55.73 57.24 2kkl s ARG 26 Cb 0.18 0.85 0.02 0.00 -1.56 0.00 0.00 34.95 34.44 2kkl s ARG 26 CO 0.29 -0.21 1.17 0.00 -0.81 0.00 0.00 175.30 175.74 2kkl s ALA 27 N 2.89 2.29 -0.76 6.12 0.00 -1.26 -4.81 121.76 126.23 2kkl s ALA 27 Ca -0.05 0.76 -0.07 0.00 0.00 0.00 0.00 51.96 52.60 2kkl s ALA 27 Cb -0.12 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.53 2kkl s ALA 27 CO -0.19 -1.58 1.92 -3.47 0.00 0.00 0.00 175.76 172.45 2kkl n ASP 28 N -2.49 3.88 -4.35 0.00 2.03 -1.26 -4.73 116.55 109.63 2kkl n ASP 28 Ca 0.12 -2.33 -0.34 0.00 0.52 0.00 0.00 54.79 52.77 2kkl n ASP 28 Cb 0.51 -1.01 -0.14 0.00 -0.72 0.00 0.00 41.12 39.76 2kkl n ASP 28 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2kkl s PHE 29 N 3.89 2.89 -0.20 -0.67 -0.12 -1.26 -4.58 117.98 117.93 2kkl s PHE 29 Ca 0.37 -0.78 0.00 0.00 -0.05 0.00 0.00 56.93 56.46 2kkl s PHE 29 Cb 0.09 -1.97 0.00 0.00 -0.63 0.00 0.00 43.02 40.52 2kkl s PHE 29 CO -0.00 -0.36 0.00 1.28 -0.05 0.00 0.00 175.22 176.08 2kkl n LEU 30 N 4.11 0.07 -4.78 -1.99 4.77 -1.26 -4.85 117.00 113.07 2kkl n LEU 30 Ca -0.18 0.05 -0.37 0.00 -0.03 0.00 0.00 56.01 55.48 2kkl n LEU 30 Cb 0.52 -1.12 -0.03 0.00 -2.33 0.00 0.00 43.42 40.46 2kkl n LEU 30 CO 0.30 -0.30 0.77 -0.44 -1.33 0.00 0.00 177.39 176.39 2kkl s SER 31 N -0.87 6.53 -1.33 -1.43 0.01 -1.26 -2.94 113.70 112.41 2kkl s SER 31 Ca 0.00 2.14 0.00 0.00 1.31 0.00 0.00 55.95 59.40 2kkl s SER 31 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2kkl s SER 31 CO 0.00 -0.65 0.00 -0.62 0.41 0.00 0.00 173.24 172.38 2kkl n GLU 32 N -0.23 -1.78 0.00 12.44 1.02 -1.26 -4.63 120.64 126.19 2kkl n GLU 32 Ca 0.06 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 57.95 2kkl n GLU 32 Cb 0.49 -5.22 0.00 0.00 -0.02 0.00 0.00 31.44 26.69 2kkl n GLU 32 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2kkl n LEU 33 N -2.48 0.00 0.07 -4.62 7.99 -1.15 -3.98 117.00 112.83 2kkl n LEU 33 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.84 2kkl n LEU 33 Cb 0.56 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.87 2kkl n LEU 33 CO 0.20 0.00 -0.03 0.47 -1.51 0.00 0.00 177.39 176.52 2kkl n ASP 34 N 3.92 0.70 -2.65 -1.43 8.00 -1.26 -4.89 116.55 118.94 2kkl n ASP 34 Ca 0.00 0.22 -0.03 0.00 0.71 0.00 0.00 54.79 55.69 2kkl n ASP 34 Cb 0.00 -0.12 0.01 0.00 -0.02 0.00 0.00 41.12 40.99 2kkl n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kkl n ALA 35 N -3.45 -3.02 -1.76 2.24 0.00 -1.26 -5.15 120.51 108.12 2kkl n ALA 35 Ca 0.00 -0.30 -0.38 0.00 0.00 0.00 0.00 53.44 52.76 2kkl n ALA 35 Cb 0.03 -1.73 0.02 0.00 0.00 0.00 0.00 19.45 17.77 2kkl n ALA 35 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kkl s PRO 36 N 0.01 3.33 0.00 0.00 0.04 -1.26 -5.01 135.00 132.10 2kkl s PRO 36 Ca 0.07 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.13 2kkl s PRO 36 Cb 0.10 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2kkl s PRO 36 CO -0.07 -0.98 0.00 0.00 0.04 0.00 0.00 177.00 175.99 2kkl n ALA 37 N -0.92 0.00 -1.98 8.56 0.00 -1.26 -4.93 120.51 119.97 2kkl n ALA 37 Ca 0.10 -0.03 -0.32 0.00 0.00 0.00 0.00 53.44 53.19 2kkl n ALA 37 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.87 2kkl n ALA 37 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2kkl s GLN 38 N -0.43 3.97 0.00 0.00 0.74 -1.26 -4.86 119.66 117.82 2kkl s GLN 38 Ca 0.00 0.80 0.00 0.00 0.05 0.00 0.00 55.36 56.21 2kkl s GLN 38 Cb 0.00 -2.27 0.00 0.00 1.10 0.00 0.00 33.01 31.84 2kkl s GLN 38 CO 0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 175.29 174.66 2kkl n ALA 39 N -1.09 0.00 -2.71 1.58 0.00 -1.26 -5.05 120.51 111.98 2kkl n ALA 39 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.39 2kkl n ALA 39 Cb 0.54 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.40 -0.41 3.90 0.00 0.00 -1.26 -5.01 105.19 102.01 2kkl n GLY 40 Ca 0.00 0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.26 2.95 0.00 2.61 -4.23 -1.26 -5.05 115.64 107.41 2kkl s THR 41 Ca 0.26 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.92 2kkl s THR 41 Cb -0.03 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.53 2kkl s THR 41 CO 0.49 -0.34 0.00 1.21 -0.54 0.00 0.00 174.62 175.44 2kkl n GLU 42 N -2.99 0.00 -2.13 3.99 2.13 -1.26 -5.10 120.64 115.27 2kkl n GLU 42 Ca 0.07 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.56 2kkl n GLU 42 Cb 0.59 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.30 2kkl n GLU 42 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2kkl s SER 43 N 1.00 6.05 0.00 4.31 1.04 -1.26 -4.87 113.70 119.97 2kkl s SER 43 Ca 0.00 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.15 2kkl s SER 43 Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2kkl s SER 43 CO 0.00 -0.98 0.00 0.00 0.98 0.00 0.00 173.24 173.24 2kkl n ALA 44 N -1.95 0.00 0.69 5.32 0.00 -1.26 -4.94 120.51 118.37 2kkl n ALA 44 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.59 2kkl n ALA 44 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 2kkl n ALA 44 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2kkl n VAL 45 N -1.32 0.00 -3.25 0.00 0.24 -1.26 -4.78 118.33 107.96 2kkl n VAL 45 Ca 0.00 -0.33 -0.16 0.00 -2.04 0.00 0.00 64.34 61.81 2kkl n VAL 45 Cb 0.00 1.18 -0.06 0.00 -1.47 0.00 0.00 33.84 33.48 2kkl n VAL 45 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2kkl s SER 46 N -1.87 0.57 0.00 -1.34 0.01 -1.26 -4.96 113.70 104.86 2kkl s SER 46 Ca 0.13 -1.90 0.20 0.00 1.31 0.00 0.00 55.95 55.68 2kkl s SER 46 Cb 0.12 0.67 0.71 0.00 0.21 0.00 0.00 66.02 67.74 2kkl s SER 46 CO 0.40 -0.19 1.52 0.61 0.41 0.00 0.00 173.24 175.98 2kkl n GLY 47 N 3.69 0.30 0.00 3.44 0.00 -1.26 -3.85 105.19 107.52 2kkl n GLY 47 Ca 0.17 -0.41 0.09 0.00 0.00 0.00 0.00 46.02 45.87 2kkl n GLY 47 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2kkl n VAL 48 N 0.33 0.04 0.00 1.61 0.31 -1.26 -3.24 118.33 116.12 2kkl n VAL 48 Ca 0.16 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 2kkl n VAL 48 Cb 0.32 -0.72 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 2kkl n VAL 48 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2kkl n GLU 49 N -1.02 0.00 0.00 5.55 1.02 -1.25 -4.57 120.64 120.37 2kkl n GLU 49 Ca 0.13 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 2kkl n GLU 49 Cb 0.07 -0.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 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 -0.66 0.14 3.11 0.62 0.00 -1.26 -5.02 105.19 102.12 2kkl n GLY 50 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.12 -0.23 -0.32 0.99 -0.00 -1.20 -4.74 117.00 111.38 2kkl n LEU 51 Ca 0.00 -0.21 0.13 0.00 -0.00 0.00 0.00 56.01 55.94 2kkl n LEU 51 Cb 0.10 -0.30 0.32 0.00 -0.00 0.00 0.00 43.42 43.53 2kkl n LEU 51 CO 0.00 0.11 1.09 -0.65 -0.00 0.00 0.00 177.39 177.94 2kkl h PRO 52 N 1.19 0.49 -7.12 1.47 0.11 -1.95 -3.41 132.00 122.77 2kkl h PRO 52 Ca -0.13 -0.03 -0.55 0.00 0.11 0.00 0.00 66.00 65.41 2kkl h PRO 52 Cb 0.27 -0.11 0.15 0.00 0.11 0.00 0.00 31.00 31.42 2kkl h PRO 52 CO 0.08 0.32 0.48 -2.14 -0.21 0.00 0.00 178.00 176.53 2kkl s PRO 53 N -5.87 2.55 -0.99 1.05 0.02 -1.26 -4.77 135.00 125.73 2kkl s PRO 53 Ca -0.11 1.96 -0.25 0.00 0.02 0.00 0.00 61.00 62.62 2kkl s PRO 53 Cb 0.25 -1.86 -0.22 0.00 0.02 0.00 0.00 34.50 32.70 2kkl s PRO 53 CO 0.78 -1.57 2.03 0.41 -0.33 0.00 0.00 177.00 178.32 2kkl n GLY 54 N 0.73 -0.43 3.23 0.52 0.00 -1.26 -4.83 105.19 103.15 2kkl n GLY 54 Ca 0.15 0.08 -0.20 0.00 0.00 0.00 0.00 46.02 46.04 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 15.91 2.32 0.01 0.99 1.43 -1.26 -4.41 118.68 133.67 2kkl s LEU 55 Ca 0.75 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 2kkl s LEU 55 Cb -0.05 -0.67 -0.01 0.00 0.03 0.00 0.00 46.19 45.49 2kkl s LEU 55 CO 0.17 -0.04 -0.04 0.00 0.23 0.00 0.00 176.35 176.67 2kkl s ALA 56 N -1.43 0.30 0.14 4.21 0.00 -1.26 -4.46 121.76 119.26 2kkl s ALA 56 Ca 0.04 -0.33 0.11 0.00 0.00 0.00 0.00 51.96 51.78 2kkl s ALA 56 Cb -0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 2kkl s ALA 56 CO 0.03 0.01 -0.26 -0.51 0.00 0.00 0.00 175.76 175.03 2kkl s LEU 57 N -0.58 2.34 -0.09 0.00 1.02 -1.05 -2.39 118.68 117.92 2kkl s LEU 57 Ca -0.04 -0.77 0.03 0.00 0.02 0.00 0.00 54.13 53.38 2kkl s LEU 57 Cb -0.04 -1.20 -0.01 0.00 0.02 0.00 0.00 46.19 44.96 2kkl s LEU 57 CO -0.00 0.16 -0.19 -0.76 0.02 0.00 0.00 176.35 175.58 2kkl s LEU 58 N -2.16 2.39 -0.09 1.79 1.43 -1.06 -2.58 118.68 118.41 2kkl s LEU 58 Ca 0.15 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 52.87 2kkl s LEU 58 Cb -0.10 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 2kkl s LEU 58 CO 0.07 0.21 -0.23 -0.69 0.23 0.00 0.00 176.35 175.94 2kkl s VAL 59 N 0.08 2.21 -0.52 -1.59 1.01 -1.09 -2.17 120.40 118.33 2kkl s VAL 59 Ca -0.08 -0.98 -0.27 0.00 0.00 0.00 0.00 61.98 60.64 2kkl s VAL 59 Cb -0.15 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 2kkl s VAL 59 CO 0.05 0.56 1.87 -0.69 0.00 0.00 0.00 175.10 176.90 2kkl s VAL 60 N 0.14 3.38 0.16 2.92 1.01 -1.05 -1.51 120.40 125.44 2kkl s VAL 60 Ca -0.12 0.28 -0.13 0.00 0.00 0.00 0.00 61.98 62.02 2kkl s VAL 60 Cb -0.16 -3.80 0.05 0.00 0.00 0.00 0.00 36.38 32.47 2kkl s VAL 60 CO 0.07 -0.71 1.70 0.50 0.00 0.00 0.00 175.10 176.65 2kkl h LYS 61 N 14.64 0.84 -2.82 2.72 3.64 -1.59 -3.33 116.57 130.68 2kkl h LYS 61 Ca -0.28 -0.17 -0.13 0.00 -1.27 0.00 0.00 60.65 58.80 2kkl h LYS 61 Cb 1.17 -0.13 -0.25 0.00 -0.41 0.00 0.00 32.23 32.61 2kkl h LYS 61 CO 1.16 0.75 -0.30 0.50 -2.27 0.00 0.00 179.45 179.29 2kkl s ARG 62 N -5.46 0.40 0.00 1.90 3.52 -1.24 -4.94 118.95 113.13 2kkl s ARG 62 Ca -0.13 0.57 0.00 0.00 -0.13 0.00 0.00 55.73 56.05 2kkl s ARG 62 Cb 0.12 0.13 0.00 0.00 -1.56 0.00 0.00 34.95 33.64 2kkl s ARG 62 CO 0.79 -0.08 0.00 0.41 -0.81 0.00 0.00 175.30 175.61 2kkl n GLY 63 N 3.30 1.02 0.29 8.12 0.00 -1.26 -3.27 105.19 113.39 2kkl n GLY 63 Ca -0.16 -1.16 0.03 0.00 0.00 0.00 0.00 46.02 44.73 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 0.64 -2.60 1.61 0.11 -2.00 -2.99 132.00 126.77 2kkl h PRO 64 Ca 0.00 -0.04 -0.78 0.00 0.11 0.00 0.00 66.00 65.29 2kkl h PRO 64 Cb 0.00 -0.14 -0.30 0.00 0.11 0.00 0.00 31.00 30.67 2kkl h PRO 64 CO 0.00 0.42 0.68 -1.71 -0.21 0.00 0.00 178.00 177.18 2kkl n ASN 65 N -4.83 6.42 -4.77 -2.05 2.85 -1.26 -5.03 115.26 106.58 2kkl n ASN 65 Ca 0.13 -3.53 -0.38 0.00 -0.11 0.00 0.00 54.58 50.70 2kkl n ASN 65 Cb 0.32 -1.15 -0.02 0.00 1.24 0.00 0.00 39.78 40.17 2kkl n ASN 65 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kkl s ALA 66 N -3.33 3.11 0.00 5.20 0.00 -1.13 -3.15 121.76 122.46 2kkl s ALA 66 Ca 0.35 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.22 2kkl s ALA 66 Cb 0.12 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.88 2kkl s ALA 66 CO 0.01 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.69 2kkl n GLY 67 N 0.56 0.53 3.76 0.00 0.00 -1.25 -5.05 105.19 103.74 2kkl n GLY 67 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.37 5.92 0.04 1.61 0.01 -1.19 -4.86 113.70 112.85 2kkl s SER 68 Ca 0.00 2.52 0.03 0.00 1.31 0.00 0.00 55.95 59.81 2kkl s SER 68 Cb 0.00 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 2kkl s SER 68 CO 0.00 -1.11 -0.10 -0.13 0.41 0.00 0.00 173.24 172.31 2kkl s ARG 69 N -2.67 0.66 -0.05 12.44 0.52 -1.26 -2.53 118.95 126.06 2kkl s ARG 69 Ca 0.65 -0.68 0.04 0.00 -0.52 0.00 0.00 55.73 55.22 2kkl s ARG 69 Cb -0.34 -0.57 -0.00 0.00 0.52 0.00 0.00 34.95 34.56 2kkl s ARG 69 CO 0.42 0.13 -0.18 -0.06 0.02 0.00 0.00 175.30 175.63 2kkl s PHE 70 N -0.99 1.81 -0.24 -0.53 0.08 -0.92 -4.97 117.98 112.22 2kkl s PHE 70 Ca -0.03 -0.55 -0.09 0.00 0.12 0.00 0.00 56.93 56.37 2kkl s PHE 70 Cb -0.08 -1.22 -0.04 0.00 -0.57 0.00 0.00 43.02 41.11 2kkl s PHE 70 CO 0.01 -0.20 0.13 -1.17 -0.10 0.00 0.00 175.22 173.89 2kkl s LEU 71 N 0.09 3.90 -0.39 -0.37 0.20 -1.26 -2.57 118.68 118.28 2kkl s LEU 71 Ca -0.06 0.02 -0.15 0.00 0.69 0.00 0.00 54.13 54.63 2kkl s LEU 71 Cb -0.12 -2.04 0.01 0.00 -0.43 0.00 0.00 46.19 43.60 2kkl s LEU 71 CO 0.03 0.05 0.34 -0.76 -0.29 0.00 0.00 176.35 175.72 2kkl s LEU 72 N 1.14 4.83 -0.90 -0.68 1.43 -1.01 -4.88 118.68 118.61 2kkl s LEU 72 Ca 0.06 -0.65 -0.06 0.00 -1.03 0.00 0.00 54.13 52.45 2kkl s LEU 72 Cb -0.14 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 2kkl s LEU 72 CO 0.05 -0.44 2.85 -0.90 0.23 0.00 0.00 176.35 178.14 2kkl n ASP 73 N 5.32 7.25 -0.51 2.29 5.68 -1.26 -3.99 116.55 131.33 2kkl n ASP 73 Ca -0.10 -2.91 0.00 0.00 -0.50 0.00 0.00 54.79 51.28 2kkl n ASP 73 Cb 0.48 -1.38 0.00 0.00 -1.14 0.00 0.00 41.12 39.08 2kkl n ASP 73 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kkl n GLN 74 N 2.04 0.00 0.00 0.11 6.02 -1.26 -4.89 117.38 119.40 2kkl n GLN 74 Ca 0.59 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.58 2kkl n GLN 74 Cb 0.45 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.71 2kkl n GLN 74 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kkl n ALA 75 N 0.14 0.00 -3.18 -1.58 0.00 -1.26 -4.66 120.51 109.97 2kkl n ALA 75 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 2kkl n ALA 75 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 2kkl n ALA 75 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2kkl s ILE 76 N 0.00 3.15 -0.20 0.00 1.01 -1.26 -2.32 121.20 121.58 2kkl s ILE 76 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.05 2kkl s ILE 76 Cb 0.00 -2.35 0.03 0.00 0.01 0.00 0.00 42.46 40.15 2kkl s ILE 76 CO 0.00 0.50 -0.15 -0.89 0.00 0.00 0.00 174.94 174.40 2kkl s THR 77 N 0.58 1.92 0.66 2.92 2.01 -0.87 -4.97 115.64 117.89 2kkl s THR 77 Ca -0.07 -1.06 -0.09 0.00 0.31 0.00 0.00 61.69 60.78 2kkl s THR 77 Cb -0.15 -1.86 0.02 0.00 0.01 0.00 0.00 72.50 70.51 2kkl s THR 77 CO 0.03 0.32 1.01 -0.94 -0.69 0.00 0.00 174.62 174.36 2kkl s SER 78 N 1.30 5.41 -0.00 3.53 1.04 -1.26 -1.46 113.70 122.26 2kkl s SER 78 Ca 0.01 0.88 0.04 0.00 0.48 0.00 0.00 55.95 57.36 2kkl s SER 78 Cb -0.15 -1.74 -0.01 0.00 0.10 0.00 0.00 66.02 64.22 2kkl s SER 78 CO -0.10 -1.27 -0.14 0.00 0.98 0.00 0.00 173.24 172.71 2kkl s ALA 79 N -3.21 1.15 0.00 5.32 0.00 -0.64 -4.34 121.76 120.04 2kkl s ALA 79 Ca 0.57 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.90 2kkl s ALA 79 Cb -0.11 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.74 2kkl s ALA 79 CO 0.48 0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.92 2kkl n GLY 80 N 2.61 3.03 3.77 0.00 0.00 -1.25 -3.43 105.19 109.92 2kkl n GLY 80 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.21 3.95 -0.15 1.61 0.52 0.00 -4.61 118.95 120.06 2kkl s ARG 81 Ca 0.00 1.99 -0.06 0.00 -0.52 0.00 0.00 55.73 57.15 2kkl s ARG 81 Cb 0.00 -2.67 -0.24 0.00 0.52 0.00 0.00 34.95 32.55 2kkl s ARG 81 CO 0.00 -0.45 0.25 0.72 0.02 0.00 0.00 175.30 175.83 2kkl n HIS 82 N 0.01 1.02 0.00 -0.53 8.25 -1.26 -4.68 115.22 118.02 2kkl n HIS 82 Ca 0.05 0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 2kkl n HIS 82 Cb 0.45 -1.13 0.00 0.00 1.12 0.00 0.00 29.99 30.43 2kkl n HIS 82 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2kkl n PRO 83 N -3.48 1.19 -2.25 -0.41 -0.02 -1.26 -4.59 135.00 124.18 2kkl n PRO 83 Ca -0.35 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 60.73 2kkl n PRO 83 Cb 1.02 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.47 2kkl n PRO 83 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kkl s ASP 84 N -2.33 5.71 -0.29 2.55 1.01 -1.26 -4.90 116.67 117.16 2kkl s ASP 84 Ca 0.00 0.15 -0.16 0.00 0.71 0.00 0.00 52.55 53.25 2kkl s ASP 84 Cb 0.00 -2.54 0.13 0.00 1.01 0.00 0.00 42.92 41.52 2kkl s ASP 84 CO 0.00 -2.07 0.89 -0.44 0.21 0.00 0.00 175.17 173.76 2kkl s SER 85 N 6.09 -0.65 0.21 0.27 0.01 -1.26 -4.88 113.70 113.49 2kkl s SER 85 Ca 0.56 1.03 -0.09 0.00 1.31 0.00 0.00 55.95 58.76 2kkl s SER 85 Cb -0.11 1.31 0.16 0.00 0.21 0.00 0.00 66.02 67.59 2kkl s SER 85 CO 0.20 -0.16 1.83 0.44 0.41 0.00 0.00 173.24 175.96 2kkl h ASP 86 N 6.44 1.00 -3.31 2.44 3.32 -1.90 -3.40 116.42 121.01 2kkl h ASP 86 Ca -0.28 -0.11 -0.56 0.00 0.02 0.00 0.00 57.03 56.10 2kkl h ASP 86 Cb 1.20 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 40.44 2kkl h ASP 86 CO 0.18 0.82 0.40 -0.63 -1.72 0.00 0.00 179.24 178.29 2kkl s ILE 87 N -5.82 4.87 -0.48 0.35 1.01 -1.26 -4.88 121.20 115.00 2kkl s ILE 87 Ca -0.13 1.80 0.03 0.00 0.00 0.00 0.00 60.65 62.35 2kkl s ILE 87 Cb 0.15 -4.21 0.15 0.00 0.01 0.00 0.00 42.46 38.56 2kkl s ILE 87 CO 0.81 0.07 0.29 0.12 0.00 0.00 0.00 174.94 176.24 2kkl s PHE 88 N 1.75 2.12 -0.62 3.97 5.36 -1.26 -4.21 117.98 125.09 2kkl s PHE 88 Ca 0.43 -2.57 -0.13 0.00 -0.96 0.00 0.00 56.93 53.71 2kkl s PHE 88 Cb -0.18 -1.89 0.16 0.00 -0.34 0.00 0.00 43.02 40.77 2kkl s PHE 88 CO 0.17 -0.75 0.55 -0.51 -1.46 0.00 0.00 175.22 173.22 2kkl s LEU 89 N 0.02 6.21 -0.74 6.12 1.43 -1.26 -5.02 118.68 125.45 2kkl s LEU 89 Ca 0.21 -2.18 -0.22 0.00 -1.03 0.00 0.00 54.13 50.91 2kkl s LEU 89 Cb -0.17 -2.15 0.08 0.00 0.03 0.00 0.00 46.19 43.98 2kkl s LEU 89 CO -0.05 -0.70 1.03 -0.62 0.23 0.00 0.00 176.35 176.23 2kkl s ASP 90 N 2.76 6.29 0.32 2.29 -1.08 -1.26 -4.81 116.67 121.17 2kkl s ASP 90 Ca 0.09 -1.24 -0.19 0.00 -0.52 0.00 0.00 52.55 50.69 2kkl s ASP 90 Cb -0.22 -2.42 0.03 0.00 -1.46 0.00 0.00 42.92 38.85 2kkl s ASP 90 CO -0.02 -1.37 0.75 -1.81 0.52 0.00 0.00 175.17 173.24 2kkl s ASP 91 N 3.73 -0.16 0.19 -0.34 1.01 -1.26 -5.04 116.67 114.80 2kkl s ASP 91 Ca 0.26 -0.81 -0.10 0.00 0.71 0.00 0.00 52.55 52.61 2kkl s ASP 91 Cb -0.13 0.77 0.10 0.00 1.01 0.00 0.00 42.92 44.67 2kkl s ASP 91 CO 0.05 -1.47 1.73 -0.37 0.21 0.00 0.00 175.17 175.32 2kkl h VAL 92 N 2.00 1.25 -3.49 -1.27 -1.51 -2.04 -3.44 116.25 107.75 2kkl h VAL 92 Ca -0.24 -0.81 -0.35 0.00 -1.23 0.00 0.00 66.70 64.07 2kkl h VAL 92 Cb 1.25 0.51 0.15 0.00 -2.13 0.00 0.00 31.29 31.07 2kkl h VAL 92 CO 0.29 0.32 0.33 1.07 -1.23 0.00 0.00 177.57 178.35 2kkl n THR 93 N -4.37 0.00 -2.58 7.19 5.66 -1.26 -4.79 114.28 114.13 2kkl n THR 93 Ca 0.05 -0.78 -0.02 0.00 -3.05 0.00 0.00 64.05 60.25 2kkl n THR 93 Cb 0.19 -1.57 -0.02 0.00 -1.55 0.00 0.00 70.33 67.39 2kkl n THR 93 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2kkl n VAL 94 N -3.59-11.63 -0.11 1.08 0.31 -1.26 -4.99 118.33 98.14 2kkl n VAL 94 Ca 0.14 2.02 0.00 0.00 -0.01 0.00 0.00 64.34 66.49 2kkl n VAL 94 Cb 0.48 -6.59 0.00 0.00 -0.91 0.00 0.00 33.84 26.81 2kkl n VAL 94 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2kkl n SER 95 N 0.97 -1.27 -0.27 4.52 7.64 -1.26 -4.82 113.62 119.12 2kkl n SER 95 Ca -0.14 -0.11 -0.06 0.00 1.01 0.00 0.00 58.87 59.57 2kkl n SER 95 Cb 0.21 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.47 2kkl n SER 95 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2kkl h ARG 96 N 0.00 1.13 -0.61 1.43 3.08 -1.83 -3.28 114.38 114.30 2kkl h ARG 96 Ca 0.00 -0.22 -0.37 0.00 0.07 0.00 0.00 59.98 59.46 2kkl h ARG 96 Cb 0.00 -0.18 -0.41 0.00 0.08 0.00 0.00 29.97 29.46 2kkl h ARG 96 CO 0.00 0.94 -1.01 0.54 -1.07 0.00 0.00 179.97 179.37 2kkl n ARG 97 N -4.30 2.42 -0.41 0.04 1.74 -1.22 -0.82 116.66 114.10 2kkl n ARG 97 Ca 0.06 -3.76 0.33 0.00 -0.77 0.00 0.00 57.85 53.71 2kkl n ARG 97 Cb 0.20 -1.85 0.62 0.00 -1.02 0.00 0.00 32.46 30.41 2kkl n ARG 97 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2kkl h HIS 98 N 2.48 0.53 -3.41 -1.55 2.76 -1.61 -3.41 115.15 110.94 2kkl h HIS 98 Ca 0.06 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.13 2kkl h HIS 98 Cb 1.35 -0.14 -0.19 0.00 1.55 0.00 0.00 27.41 29.98 2kkl h HIS 98 CO 0.63 -0.13 -0.38 0.00 -1.30 0.00 0.00 177.93 176.76 2kkl s ALA 99 N -5.33 -0.48 0.02 5.26 0.00 -1.26 -4.34 121.76 115.64 2kkl s ALA 99 Ca -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.80 2kkl s ALA 99 Cb 0.28 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 2kkl s ALA 99 CO 0.82 -0.31 -0.03 -2.00 0.00 0.00 0.00 175.76 174.24 2kkl s GLU 100 N -2.01 0.29 -0.03 0.00 2.12 -0.95 -1.63 118.70 116.50 2kkl s GLU 100 Ca -0.09 -0.57 0.05 0.00 0.36 0.00 0.00 54.97 54.72 2kkl s GLU 100 Cb -0.04 0.09 -0.02 0.00 0.26 0.00 0.00 34.13 34.42 2kkl s GLU 100 CO -0.01 -0.04 -0.18 -0.06 -0.54 0.00 0.00 175.26 174.43 2kkl s PHE 101 N -1.35 2.57 -0.02 5.30 0.08 -0.53 -0.58 117.98 123.44 2kkl s PHE 101 Ca -0.15 -0.26 0.03 0.00 0.12 0.00 0.00 56.93 56.68 2kkl s PHE 101 Cb -0.09 -1.57 -0.00 0.00 -0.57 0.00 0.00 43.02 40.79 2kkl s PHE 101 CO -0.01 0.12 -0.11 0.50 -0.10 0.00 0.00 175.22 175.63 2kkl s ARG 102 N -0.78 1.03 -0.18 0.44 3.52 -0.93 -2.05 118.95 120.00 2kkl s ARG 102 Ca 0.11 -0.37 -0.14 0.00 -0.13 0.00 0.00 55.73 55.20 2kkl s ARG 102 Cb -0.10 -0.96 -0.04 0.00 -1.56 0.00 0.00 34.95 32.28 2kkl s ARG 102 CO 0.01 0.17 0.33 -1.17 -0.81 0.00 0.00 175.30 173.82 2kkl s LEU 103 N 0.03 4.20 -0.01 -0.88 2.96 -0.98 -1.09 118.68 122.91 2kkl s LEU 103 Ca -0.01 0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 54.35 2kkl s LEU 103 Cb -0.07 -2.42 -0.00 0.00 0.50 0.00 0.00 46.19 44.20 2kkl s LEU 103 CO 0.00 0.02 0.06 -0.70 -1.32 0.00 0.00 176.35 174.41 2kkl s GLU 104 N 0.87 0.24 -1.71 1.98 2.12 -0.40 -4.85 118.70 116.96 2kkl s GLU 104 Ca 0.17 -0.21 -0.17 0.00 0.36 0.00 0.00 54.97 55.11 2kkl s GLU 104 Cb -0.14 0.10 0.15 0.00 0.26 0.00 0.00 34.13 34.50 2kkl s GLU 104 CO 0.06 -0.05 0.69 0.27 -0.54 0.00 0.00 175.26 175.69 2kkl n ASN 105 N 2.27 -2.62 -2.95 -1.70 0.23 -1.26 0.11 115.26 109.34 2kkl n ASN 105 Ca -0.18 -1.06 -0.21 0.00 -0.53 0.00 0.00 54.58 52.59 2kkl n ASN 105 Cb 0.57 -2.53 0.02 0.00 -2.08 0.00 0.00 39.78 35.76 2kkl n ASN 105 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2kkl n ASN 106 N -2.66 -5.37 -3.80 0.53 5.03 -1.26 -4.97 115.26 102.76 2kkl n ASN 106 Ca 0.03 -0.22 -0.16 0.00 0.87 0.00 0.00 54.58 55.10 2kkl n ASN 106 Cb 0.51 -4.39 -0.16 0.00 -1.02 0.00 0.00 39.78 34.72 2kkl n ASN 106 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2kkl s GLU 107 N -5.61 0.20 0.48 3.52 0.41 0.30 -5.11 118.70 112.89 2kkl s GLU 107 Ca 0.25 0.11 -0.21 0.00 -0.41 0.00 0.00 54.97 54.71 2kkl s GLU 107 Cb -0.12 -0.41 -0.07 0.00 -1.78 0.00 0.00 34.13 31.75 2kkl s GLU 107 CO 0.31 -0.15 1.12 -0.06 -0.49 0.00 0.00 175.26 175.99 2kkl s PHE 108 N 1.04 2.87 0.15 1.61 0.08 -1.26 -1.27 117.98 121.20 2kkl s PHE 108 Ca -0.10 1.56 -0.01 0.00 0.12 0.00 0.00 56.93 58.50 2kkl s PHE 108 Cb -0.13 -3.27 -0.04 0.00 -0.57 0.00 0.00 43.02 39.01 2kkl s PHE 108 CO -0.02 -1.31 0.08 -0.80 -0.10 0.00 0.00 175.22 173.07 2kkl s ASN 109 N -1.63 0.28 -0.08 1.36 0.01 -0.25 -1.99 114.94 112.65 2kkl s ASN 109 Ca 0.67 -1.26 0.04 0.00 -0.71 0.00 0.00 52.86 51.59 2kkl s ASN 109 Cb -0.24 0.32 0.00 0.00 0.41 0.00 0.00 41.25 41.74 2kkl s ASN 109 CO 0.29 -0.76 -0.19 0.54 -1.51 0.00 0.00 177.10 175.47 2kkl s VAL 110 N -4.07 1.66 -0.04 1.60 0.11 -0.88 -2.20 120.40 116.58 2kkl s VAL 110 Ca 0.28 -0.80 0.05 0.00 -2.93 0.00 0.00 61.98 58.59 2kkl s VAL 110 Cb 0.07 -1.45 -0.01 0.00 -1.53 0.00 0.00 36.38 33.46 2kkl s VAL 110 CO 0.05 0.47 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.39 2kkl s VAL 111 N 0.37 1.67 -0.36 2.04 1.01 0.26 -2.67 120.40 122.72 2kkl s VAL 111 Ca -0.14 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 60.84 2kkl s VAL 111 Cb -0.16 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.81 2kkl s VAL 111 CO 0.06 0.47 0.23 -0.62 0.00 0.00 0.00 175.10 175.24 2kkl s ASP 112 N -0.19 5.89 0.00 3.32 -1.08 -1.17 -2.23 116.67 121.21 2kkl s ASP 112 Ca 0.00 -0.69 0.25 0.00 -0.52 0.00 0.00 52.55 51.59 2kkl s ASP 112 Cb -0.11 -2.09 0.53 0.00 -1.46 0.00 0.00 42.92 39.79 2kkl s ASP 112 CO 0.02 -0.31 1.45 1.33 0.52 0.00 0.00 175.17 178.17 2kkl n VAL 113 N 5.07 0.04 -2.35 1.11 0.24 -1.26 -4.93 118.33 116.25 2kkl n VAL 113 Ca -0.12 -0.42 -0.39 0.00 -2.04 0.00 0.00 64.34 61.36 2kkl n VAL 113 Cb 0.48 1.07 -0.03 0.00 -1.47 0.00 0.00 33.84 33.89 2kkl n VAL 113 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2kkl s GLY 114 N -1.95 2.92 0.41 7.63 0.00 -1.26 -4.99 107.32 110.09 2kkl s GLY 114 Ca 0.32 0.95 -0.25 0.00 0.00 0.00 0.00 44.72 45.75 2kkl s GLY 114 CO 0.31 1.50 1.18 -0.56 0.00 0.00 0.00 173.10 175.53 2kkl s SER 115 N -1.04 6.41 0.00 1.64 0.01 -1.26 -4.70 113.70 114.76 2kkl s SER 115 Ca 0.53 2.37 0.00 0.00 1.31 0.00 0.00 55.95 60.16 2kkl s SER 115 Cb -0.31 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.31 2kkl s SER 115 CO 0.40 -0.75 0.00 0.18 0.41 0.00 0.00 173.24 173.47 2kkl n LEU 116 N -0.05 0.00 -4.82 2.44 4.32 -1.26 -4.35 117.00 113.27 2kkl n LEU 116 Ca 0.05 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.71 2kkl n LEU 116 Cb 0.46 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.23 2kkl n LEU 116 CO 0.51 0.00 0.68 0.54 -1.22 0.00 0.00 177.39 177.90 2kkl s ASN 117 N -3.64 6.52 0.00 -1.43 2.20 -1.26 -4.96 114.94 112.37 2kkl s ASN 117 Ca 0.00 1.69 0.00 0.00 -0.94 0.00 0.00 52.86 53.61 2kkl s ASN 117 Cb 0.00 -2.53 0.00 0.00 -2.00 0.00 0.00 41.25 36.72 2kkl s ASN 117 CO 0.00 -0.65 0.00 0.61 -2.94 0.00 0.00 177.10 174.12 2kkl n GLY 118 N -1.05 -0.79 3.77 0.45 0.00 -1.26 -4.82 105.19 101.49 2kkl n GLY 118 Ca 0.07 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -4.00 2.22 0.08 2.61 2.01 -1.26 -4.98 115.64 112.32 2kkl s THR 119 Ca 0.00 0.20 -0.02 0.00 0.31 0.00 0.00 61.69 62.18 2kkl s THR 119 Cb 0.00 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 2kkl s THR 119 CO 0.00 0.04 0.03 -0.72 -0.69 0.00 0.00 174.62 173.28 2kkl s TYR 120 N -0.70 0.55 -0.05 4.92 -0.85 -1.26 -4.55 117.35 115.40 2kkl s TYR 120 Ca 0.56 -1.04 0.05 0.00 -0.52 0.00 0.00 57.07 56.12 2kkl s TYR 120 Cb -0.45 -0.36 -0.01 0.00 0.38 0.00 0.00 41.96 41.52 2kkl s TYR 120 CO 0.55 -0.44 -0.22 0.54 -1.52 0.00 0.00 175.55 174.46 2kkl s VAL 121 N -3.94 1.81 -1.47 -3.49 0.11 -1.00 -4.22 120.40 108.20 2kkl s VAL 121 Ca 0.11 -0.92 -0.07 0.00 -2.93 0.00 0.00 61.98 58.16 2kkl s VAL 121 Cb 0.07 -1.54 0.03 0.00 -1.53 0.00 0.00 36.38 33.42 2kkl s VAL 121 CO -0.07 0.51 0.72 0.59 -3.33 0.00 0.00 175.10 173.52 2kkl n ASN 122 N 3.06 -5.54 -3.58 3.54 3.02 -1.26 -1.63 115.26 112.88 2kkl n ASN 122 Ca -0.18 -0.40 -0.21 0.00 -0.03 0.00 0.00 54.58 53.76 2kkl n ASN 122 Cb 0.52 -4.46 0.07 0.00 -0.61 0.00 0.00 39.78 35.30 2kkl n ASN 122 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2kkl n ARG 123 N -4.21 -6.67 -3.66 3.52 0.63 -1.26 -5.00 116.66 100.01 2kkl n ARG 123 Ca -0.06 0.78 -0.16 0.00 -0.92 0.00 0.00 57.85 57.50 2kkl n ARG 123 Cb 0.58 -5.73 -0.15 0.00 0.45 0.00 0.00 32.46 27.62 2kkl n ARG 123 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2kkl s GLU 124 N -5.89 0.08 -0.28 -0.14 2.02 -0.64 -5.12 118.70 108.71 2kkl s GLU 124 Ca 0.25 0.63 -0.29 0.00 0.02 0.00 0.00 54.97 55.58 2kkl s GLU 124 Cb -0.12 -0.20 0.00 0.00 0.10 0.00 0.00 34.13 33.92 2kkl s GLU 124 CO 0.75 -0.30 1.25 -1.25 0.02 0.00 0.00 175.26 175.73 2kkl s PRO 125 N 2.34 3.99 0.08 0.39 0.04 -1.26 -2.36 135.00 138.22 2kkl s PRO 125 Ca 0.02 1.27 0.01 0.00 0.04 0.00 0.00 61.00 62.35 2kkl s PRO 125 Cb -0.12 -3.83 -0.04 0.00 0.04 0.00 0.00 34.50 30.55 2kkl s PRO 125 CO -0.07 -1.02 -0.06 0.14 0.04 0.00 0.00 177.00 176.03 2kkl s VAL 126 N 4.11 0.59 0.18 -0.36 -7.23 -1.26 -5.04 120.40 111.39 2kkl s VAL 126 Ca 0.54 -1.80 -0.11 0.00 -1.81 0.00 0.00 61.98 58.80 2kkl s VAL 126 Cb -0.16 -1.51 0.09 0.00 0.56 0.00 0.00 36.38 35.36 2kkl s VAL 126 CO 0.20 -0.83 1.74 0.44 -0.31 0.00 0.00 175.10 176.34 2kkl h ASP 127 N 3.20 0.88 -4.82 4.85 3.32 -1.95 -3.44 116.42 118.45 2kkl h ASP 127 Ca -0.35 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 56.55 2kkl h ASP 127 Cb 1.17 -0.23 -0.15 0.00 0.22 0.00 0.00 39.33 40.34 2kkl h ASP 127 CO 0.62 0.81 0.32 -0.55 -1.72 0.00 0.00 179.24 178.71 2kkl s SER 128 N -6.15 -0.51 0.06 6.45 0.15 -1.26 -3.06 113.70 109.38 2kkl s SER 128 Ca -0.13 0.15 -0.14 0.00 0.70 0.00 0.00 55.95 56.53 2kkl s SER 128 Cb 0.13 0.50 0.02 0.00 -1.71 0.00 0.00 66.02 64.97 2kkl s SER 128 CO 0.80 -0.76 0.31 0.00 1.20 0.00 0.00 173.24 174.79 2kkl s ALA 129 N -2.95 -0.68 -0.11 5.45 0.00 -1.09 -5.01 121.76 117.37 2kkl s ALA 129 Ca 0.00 -0.06 -0.19 0.00 0.00 0.00 0.00 51.96 51.71 2kkl s ALA 129 Cb -0.01 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 2kkl s ALA 129 CO -0.07 -0.45 0.52 0.08 0.00 0.00 0.00 175.76 175.84 2kkl s VAL 130 N -2.84 5.16 0.48 0.00 1.01 -1.26 -2.08 120.40 120.87 2kkl s VAL 130 Ca -0.03 1.05 -0.17 0.00 0.00 0.00 0.00 61.98 62.83 2kkl s VAL 130 Cb 0.00 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.44 2kkl s VAL 130 CO -0.05 0.30 0.95 -0.76 0.00 0.00 0.00 175.10 175.54 2kkl s LEU 131 N 0.71 3.73 0.06 3.92 1.43 -0.84 -4.97 118.68 122.71 2kkl s LEU 131 Ca 0.28 1.55 -0.14 0.00 -1.03 0.00 0.00 54.13 54.79 2kkl s LEU 131 Cb -0.16 -4.46 0.02 0.00 0.03 0.00 0.00 46.19 41.63 2kkl s LEU 131 CO 0.12 -0.51 0.31 0.00 0.23 0.00 0.00 176.35 176.50 2kkl s ALA 132 N -2.48 -0.68 0.23 4.21 0.00 -1.26 -4.70 121.76 117.08 2kkl s ALA 132 Ca 0.59 -0.05 -0.32 0.00 0.00 0.00 0.00 51.96 52.18 2kkl s ALA 132 Cb -0.10 0.38 -0.13 0.00 0.00 0.00 0.00 23.12 23.27 2kkl s ALA 132 CO 0.27 -0.45 1.43 -1.71 0.00 0.00 0.00 175.76 175.30 2kkl n ASN 133 N 0.41 2.81 0.00 0.00 5.15 -1.26 -1.61 115.26 120.76 2kkl n ASN 133 Ca -0.18 1.13 0.00 0.00 -0.60 0.00 0.00 54.58 54.93 2kkl n ASN 133 Cb 0.60 -1.43 0.00 0.00 -0.53 0.00 0.00 39.78 38.42 2kkl n ASN 133 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kkl n GLY 134 N 2.34 0.60 3.89 8.20 0.00 -1.17 -4.98 105.19 114.07 2kkl n GLY 134 Ca 0.12 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.33 6.53 -0.12 1.61 1.01 -0.63 -4.98 116.67 117.75 2kkl s ASP 135 Ca 0.00 0.81 0.00 0.00 0.71 0.00 0.00 52.55 54.07 2kkl s ASP 135 Cb 0.00 -2.18 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 2kkl s ASP 135 CO 0.00 -0.14 -0.13 -0.70 0.21 0.00 0.00 175.17 174.41 2kkl s GLU 136 N -3.19 3.29 -0.07 8.23 2.12 -1.26 -0.97 118.70 126.84 2kkl s GLU 136 Ca 0.45 -0.68 0.04 0.00 0.36 0.00 0.00 54.97 55.15 2kkl s GLU 136 Cb -0.11 -2.61 -0.00 0.00 0.26 0.00 0.00 34.13 31.67 2kkl s GLU 136 CO 0.26 0.26 -0.21 0.08 -0.54 0.00 0.00 175.26 175.11 2kkl s VAL 137 N 0.22 1.82 -0.17 3.70 1.01 0.08 -4.10 120.40 122.95 2kkl s VAL 137 Ca -0.08 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.00 2kkl s VAL 137 Cb -0.15 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.68 2kkl s VAL 137 CO 0.05 0.51 -0.19 -1.58 0.00 0.00 0.00 175.10 173.88 2kkl s GLN 138 N 0.18 2.90 -0.11 2.72 0.74 -1.26 -1.08 119.66 123.74 2kkl s GLN 138 Ca -0.11 -0.80 0.03 0.00 0.05 0.00 0.00 55.36 54.54 2kkl s GLN 138 Cb -0.15 -2.49 0.00 0.00 1.10 0.00 0.00 33.01 31.48 2kkl s GLN 138 CO 0.05 -0.19 -0.22 0.42 -0.55 0.00 0.00 175.29 174.81 2kkl s ILE 139 N 1.26 1.94 0.00 -2.34 1.01 -0.83 -4.34 121.20 117.89 2kkl s ILE 139 Ca 0.03 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.75 2kkl s ILE 139 Cb -0.13 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.64 2kkl s ILE 139 CO -0.11 0.53 0.00 0.61 0.00 0.00 0.00 174.94 175.97 2kkl n GLY 140 N 3.71 3.32 0.79 6.18 0.00 -1.26 -1.19 105.19 116.74 2kkl n GLY 140 Ca -0.20 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 14.00 1.95 -3.74 1.61 4.76 -1.26 -4.92 118.16 130.56 2kkl n LYS 141 Ca 0.00 -1.58 -0.34 0.00 -2.87 0.00 0.00 58.31 53.52 2kkl n LYS 141 Cb 0.00 -1.47 -0.05 0.00 -1.84 0.00 0.00 35.03 31.67 2kkl n LYS 141 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2kkl s PHE 142 N -2.14 3.57 -0.15 2.13 0.40 -0.33 -4.94 117.98 116.51 2kkl s PHE 142 Ca 0.26 0.59 0.00 0.00 -0.60 0.00 0.00 56.93 57.18 2kkl s PHE 142 Cb 0.20 -2.00 -0.00 0.00 0.51 0.00 0.00 43.02 41.72 2kkl s PHE 142 CO 0.38 0.59 -0.15 0.50 0.70 0.00 0.00 175.22 177.24 2kkl s ARG 143 N -1.85 3.23 0.13 0.44 3.52 -1.20 -1.97 118.95 121.23 2kkl s ARG 143 Ca 0.29 -0.75 0.06 0.00 -0.13 0.00 0.00 55.73 55.21 2kkl s ARG 143 Cb -0.13 -2.61 -0.04 0.00 -1.56 0.00 0.00 34.95 30.61 2kkl s ARG 143 CO 0.17 0.04 -0.15 -0.51 -0.81 0.00 0.00 175.30 174.05 2kkl s LEU 144 N 0.75 2.40 -0.09 -0.88 1.02 -0.24 -1.50 118.68 120.13 2kkl s LEU 144 Ca -0.06 -0.81 0.04 0.00 0.02 0.00 0.00 54.13 53.31 2kkl s LEU 144 Cb -0.15 -0.60 -0.00 0.00 0.02 0.00 0.00 46.19 45.45 2kkl s LEU 144 CO 0.01 -0.12 -0.24 0.54 0.02 0.00 0.00 176.35 176.56 2kkl s VAL 145 N -2.09 2.11 -0.26 -1.59 0.11 -0.57 -0.74 120.40 117.36 2kkl s VAL 145 Ca 0.10 -1.01 -0.23 0.00 -2.93 0.00 0.00 61.98 57.91 2kkl s VAL 145 Cb -0.05 -1.80 -0.01 0.00 -1.53 0.00 0.00 36.38 32.99 2kkl s VAL 145 CO 0.04 0.56 0.74 0.12 -3.33 0.00 0.00 175.10 173.23 2kkl s PHE 146 N 0.25 3.28 0.07 1.54 5.36 -0.14 -2.68 117.98 125.65 2kkl s PHE 146 Ca -0.16 0.94 0.04 0.00 -0.96 0.00 0.00 56.93 56.79 2kkl s PHE 146 Cb -0.17 -3.00 -0.03 0.00 -0.34 0.00 0.00 43.02 39.48 2kkl s PHE 146 CO 0.08 -0.40 -0.11 -0.51 -1.46 0.00 0.00 175.22 172.81 2kkl s LEU 147 N 2.73 2.29 0.19 6.12 1.43 -1.06 -2.62 118.68 127.75 2kkl s LEU 147 Ca 0.31 -0.63 0.07 0.00 -1.03 0.00 0.00 54.13 52.85 2kkl s LEU 147 Cb -0.15 -0.35 -0.05 0.00 0.03 0.00 0.00 46.19 45.67 2kkl s LEU 147 CO 0.09 -0.15 -0.13 0.42 0.23 0.00 0.00 176.35 176.80 2kkl s THR 148 N -1.51 1.58 -0.65 5.49 -4.23 -1.26 -2.53 115.64 112.52 2kkl s THR 148 Ca -0.04 -2.17 -0.27 0.00 -1.18 0.00 0.00 61.69 58.04 2kkl s THR 148 Cb -0.09 -1.99 0.00 0.00 1.34 0.00 0.00 72.50 71.76 2kkl s THR 148 CO 0.01 -0.64 1.61 -0.83 -0.54 0.00 0.00 174.62 174.23 2kkl s GLY 149 N -3.27 0.51 0.55 3.99 0.00 -1.26 -4.98 107.32 102.86 2kkl s GLY 149 Ca 0.21 -0.91 -0.13 0.00 0.00 0.00 0.00 44.72 43.89 2kkl s GLY 149 CO 0.05 3.08 0.98 -2.38 0.00 0.00 0.00 173.10 174.83 2kkl s HIS 150 N 7.58 3.54 -1.90 1.90 -3.43 -1.26 -4.95 115.29 116.76 2kkl s HIS 150 Ca 0.54 1.32 0.28 0.00 -0.80 0.00 0.00 55.06 56.40 2kkl s HIS 150 Cb -0.11 -2.71 1.07 0.00 -1.43 0.00 0.00 32.58 29.41 2kkl s HIS 150 CO 0.19 -0.48 1.76 1.63 -2.00 0.00 0.00 174.74 175.84 2kkl n LYS 151 N -2.10 0.98 -1.19 -0.38 5.02 -1.26 -4.88 118.16 114.36 2kkl n LYS 151 Ca 0.06 -0.47 -0.09 0.00 -2.02 0.00 0.00 58.31 55.78 2kkl n LYS 151 Cb 0.54 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 34.02 2kkl n LYS 151 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2kkl n GLN 152 N -0.59 -1.37 0.00 1.97 6.02 -1.26 -4.88 117.38 117.27 2kkl n GLN 152 Ca 0.15 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.73 2kkl n GLN 152 Cb 0.31 -4.68 0.00 0.00 1.02 0.00 0.00 30.24 26.88 2kkl n GLN 152 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kkl n GLY 153 N -0.09 -0.46 3.75 1.08 0.00 -1.26 -4.85 105.19 103.35 2kkl n GLY 153 Ca -0.09 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 2.71 -0.31 1.61 1.02 -1.26 -4.87 120.64 119.53 2kkl n GLU 154 Ca 0.00 0.96 0.08 0.00 -0.02 0.00 0.00 57.16 58.19 2kkl n GLU 154 Cb 0.00 -2.74 0.25 0.00 -0.02 0.00 0.00 31.44 28.92 2kkl n GLU 154 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2kkl n ASP 155 N 2.08 3.07 -4.73 1.62 5.68 -1.26 -4.93 116.55 118.08 2kkl n ASP 155 Ca 0.08 -2.06 -0.41 0.00 -0.50 0.00 0.00 54.79 51.89 2kkl n ASP 155 Cb 0.37 -0.39 -0.03 0.00 -1.14 0.00 0.00 41.12 39.93 2kkl n ASP 155 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2kkl s LEU 156 N -1.10 4.41 0.00 -2.12 1.43 -1.26 -4.87 118.68 115.17 2kkl s LEU 156 Ca 0.37 2.36 0.00 0.00 -1.03 0.00 0.00 54.13 55.83 2kkl s LEU 156 Cb 0.20 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.82 2kkl s LEU 156 CO 0.24 -0.54 0.00 -0.62 0.23 0.00 0.00 176.35 175.65 2kkl n GLU 157 N 2.93 0.00 -3.58 1.70 1.02 -1.26 -5.13 120.64 116.32 2kkl n GLU 157 Ca 0.07 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.13 2kkl n GLU 157 Cb 0.43 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.76 2kkl n GLU 157 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2kkl s HIS 158 N 0.00 -0.86 -0.28 -0.32 -3.43 -1.26 -5.14 115.29 103.99 2kkl s HIS 158 Ca 0.00 1.44 -0.23 0.00 -0.80 0.00 0.00 55.06 55.46 2kkl s HIS 158 Cb 0.00 0.28 0.10 0.00 -1.43 0.00 0.00 32.58 31.53 2kkl s HIS 158 CO 0.00 -0.56 0.85 -1.58 -2.00 0.00 0.00 174.74 171.45 2kkl s HIS 159 N 2.62 -0.69 -0.34 0.38 5.04 -1.26 -5.13 115.29 115.92 2kkl s HIS 159 Ca 0.02 1.61 -0.03 0.00 -1.54 0.00 0.00 55.06 55.12 2kkl s HIS 159 Cb -0.13 0.35 0.06 0.00 0.04 0.00 0.00 32.58 32.91 2kkl s HIS 159 CO -0.14 -0.33 0.08 -1.58 -2.34 0.00 0.00 174.74 170.42 2kkl s HIS 160 N 0.54 3.35 -0.63 3.88 2.46 -1.26 -4.97 115.29 118.66 2kkl s HIS 160 Ca -0.01 -1.91 0.01 0.00 0.47 0.00 0.00 55.06 53.62 2kkl s HIS 160 Cb -0.05 -2.43 0.41 0.00 -0.13 0.00 0.00 32.58 30.38 2kkl s HIS 160 CO -0.05 -0.83 1.70 -2.39 -2.47 0.00 0.00 174.74 170.70 2kkl n HIS 161 N 4.66 3.11 -3.80 3.88 1.44 -1.26 -4.96 115.22 118.29 2kkl n HIS 161 Ca -0.10 -2.67 -0.13 0.00 -2.01 0.00 0.00 57.72 52.82 2kkl n HIS 161 Cb 0.43 -0.88 -0.12 0.00 0.12 0.00 0.00 29.99 29.54 2kkl n HIS 161 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kkl s HIS 162 N -3.82 -0.24 0.00 -1.40 5.04 -1.26 -5.38 115.29 108.22 2kkl s HIS 162 Ca 0.54 0.60 0.00 0.00 -1.54 0.00 0.00 55.06 54.66 2kkl s HIS 162 Cb 0.44 0.08 0.00 0.00 0.04 0.00 0.00 32.58 33.15 2kkl s HIS 162 CO -0.19 -0.12 0.00 1.58 -2.34 0.00 0.00 174.74 173.66