#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 3.29 0.37 3.52 5.36 -1.26 -4.99 117.98 124.27 2kkl s PHE 25 Ca 0.00 1.32 -0.26 0.00 -0.96 0.00 0.00 56.93 57.03 2kkl s PHE 25 Cb 0.00 -3.56 -0.09 0.00 -0.34 0.00 0.00 43.02 39.03 2kkl s PHE 25 CO 0.00 -1.65 1.10 1.03 -1.46 0.00 0.00 175.22 174.24 2kkl s ARG 26 N -0.45 4.24 -1.14 10.12 0.52 -1.26 -4.96 118.95 126.02 2kkl s ARG 26 Ca 0.54 1.69 -0.13 0.00 -0.52 0.00 0.00 55.73 57.31 2kkl s ARG 26 Cb -0.36 -2.75 0.20 0.00 0.52 0.00 0.00 34.95 32.56 2kkl s ARG 26 CO 0.40 -0.11 1.29 0.00 0.02 0.00 0.00 175.30 176.90 2kkl s ALA 27 N -1.45 4.16 0.00 2.13 0.00 -1.26 -4.53 121.76 120.80 2kkl s ALA 27 Ca 0.54 -3.45 0.00 0.00 0.00 0.00 0.00 51.96 49.05 2kkl s ALA 27 Cb -0.27 -3.94 0.00 0.00 0.00 0.00 0.00 23.12 18.90 2kkl s ALA 27 CO 0.35 -2.61 0.00 -3.47 0.00 0.00 0.00 175.76 170.02 2kkl n ASP 28 N 4.84 0.00 -0.18 0.00 -0.08 -1.26 -4.73 116.55 115.14 2kkl n ASP 28 Ca 0.31 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.59 2kkl n ASP 28 Cb 0.42 -0.57 0.00 0.00 2.34 0.00 0.00 41.12 43.32 2kkl n ASP 28 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 2kkl n PHE 29 N -1.59 -0.07 -2.07 -0.67 -1.74 -1.26 -5.05 117.46 105.01 2kkl n PHE 29 Ca 0.00 0.00 -0.28 0.00 -0.56 0.00 0.00 57.45 56.61 2kkl n PHE 29 Cb 0.00 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 40.95 2kkl n PHE 29 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2kkl s LEU 30 N 0.00 3.12 0.62 5.98 1.43 -1.26 -4.75 118.68 123.83 2kkl s LEU 30 Ca 0.00 -1.17 -0.18 0.00 -1.03 0.00 0.00 54.13 51.75 2kkl s LEU 30 Cb 0.00 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.62 2kkl s LEU 30 CO 0.00 -2.87 1.24 -0.94 0.23 0.00 0.00 176.35 174.01 2kkl s SER 31 N 7.24 4.90 -0.29 2.29 1.04 -1.26 -5.00 113.70 122.61 2kkl s SER 31 Ca 0.69 2.47 -0.23 0.00 0.48 0.00 0.00 55.95 59.36 2kkl s SER 31 Cb -0.04 -2.61 0.17 0.00 0.10 0.00 0.00 66.02 63.65 2kkl s SER 31 CO 0.06 -1.80 1.24 -1.83 0.98 0.00 0.00 173.24 171.89 2kkl s GLU 32 N -3.39 0.23 0.20 4.02 -1.05 -1.26 -5.02 118.70 112.42 2kkl s GLU 32 Ca 0.79 0.30 -0.09 0.00 -0.15 0.00 0.00 54.97 55.82 2kkl s GLU 32 Cb -0.33 0.10 0.12 0.00 -0.44 0.00 0.00 34.13 33.57 2kkl s GLU 32 CO 0.36 -0.03 1.73 1.25 0.95 0.00 0.00 175.26 179.52 2kkl h LEU 33 N 4.07 1.03 -9.99 1.83 5.85 -2.06 -3.43 115.31 112.61 2kkl h LEU 33 Ca -0.27 -0.21 -0.53 0.00 0.84 0.00 0.00 57.88 57.70 2kkl h LEU 33 Cb 1.18 -0.27 0.10 0.00 0.37 0.00 0.00 40.66 42.04 2kkl h LEU 33 CO 0.17 0.97 0.60 -1.81 -0.34 0.00 0.00 178.44 178.03 2kkl s ASP 34 N -6.36 5.96 -0.38 1.25 1.01 -1.26 -4.95 116.67 111.94 2kkl s ASP 34 Ca -0.12 2.66 0.05 0.00 0.71 0.00 0.00 52.55 55.85 2kkl s ASP 34 Cb 0.15 -2.63 0.30 0.00 1.01 0.00 0.00 42.92 41.74 2kkl s ASP 34 CO 0.84 -1.09 1.26 0.00 0.21 0.00 0.00 175.17 176.39 2kkl n ALA 35 N -0.32 -1.80 -1.49 5.23 0.00 -1.26 -5.16 120.51 115.71 2kkl n ALA 35 Ca 0.06 -0.86 -0.33 0.00 0.00 0.00 0.00 53.44 52.32 2kkl n ALA 35 Cb 0.44 -1.98 0.05 0.00 0.00 0.00 0.00 19.45 17.97 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 0.13 2.78 0.00 0.00 0.04 -1.26 -5.03 135.00 131.67 2kkl s PRO 36 Ca 0.19 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.55 2kkl s PRO 36 Cb 0.28 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.86 2kkl s PRO 36 CO -0.12 -1.25 0.00 0.00 0.04 0.00 0.00 177.00 175.67 2kkl n ALA 37 N -2.57 0.00 -0.04 8.56 0.00 -1.26 -5.03 120.51 120.17 2kkl n ALA 37 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.53 2kkl n ALA 37 Cb 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.86 2kkl n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kkl n GLN 38 N 0.00 1.15 -2.62 0.00 10.64 -1.26 -4.88 117.38 120.41 2kkl n GLN 38 Ca 0.00 -0.06 -0.41 0.00 -1.83 0.00 0.00 57.00 54.70 2kkl n GLN 38 Cb 0.00 -1.37 -0.04 0.00 -0.86 0.00 0.00 30.24 27.97 2kkl n GLN 38 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kkl s ALA 39 N -2.66 3.32 -0.12 2.61 0.00 -1.26 -4.41 121.76 119.24 2kkl s ALA 39 Ca -0.06 0.70 -0.09 0.00 0.00 0.00 0.00 51.96 52.50 2kkl s ALA 39 Cb 0.07 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.89 2kkl s ALA 39 CO 0.61 -0.09 0.16 0.41 0.00 0.00 0.00 175.76 176.85 2kkl n GLY 40 N 2.06 -0.13 3.75 0.00 0.00 -1.26 -4.81 105.19 104.79 2kkl n GLY 40 Ca 0.02 0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.14 3.04 0.19 2.61 -4.23 -1.26 -4.82 115.64 110.03 2kkl s THR 41 Ca 0.09 0.91 -0.22 0.00 -1.18 0.00 0.00 61.69 61.29 2kkl s THR 41 Cb -0.01 -3.58 -0.08 0.00 1.34 0.00 0.00 72.50 70.17 2kkl s THR 41 CO 0.23 0.16 0.73 -0.70 -0.54 0.00 0.00 174.62 174.50 2kkl s GLU 42 N -0.61 4.36 0.00 3.99 2.12 -1.26 -5.03 118.70 122.27 2kkl s GLU 42 Ca 0.54 0.96 0.00 0.00 0.36 0.00 0.00 54.97 56.83 2kkl s GLU 42 Cb -0.38 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 30.97 2kkl s GLU 42 CO 0.42 0.48 0.36 0.45 -0.54 0.00 0.00 175.26 176.43 2kkl n SER 43 N 1.11 0.00 -4.24 -1.70 2.88 -1.26 -4.82 113.62 105.59 2kkl n SER 43 Ca -0.04 0.36 -0.30 0.00 -1.33 0.00 0.00 58.87 57.56 2kkl n SER 43 Cb 0.50 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.88 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 -1.21 -1.96 1.18 -1.46 0.00 -1.26 -4.79 120.51 111.01 2kkl n ALA 44 Ca 0.00 -0.37 0.12 0.00 0.00 0.00 0.00 53.44 53.20 2kkl n ALA 44 Cb 0.00 -1.07 0.27 0.00 0.00 0.00 0.00 19.45 18.64 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 -4.52 0.00 -1.92 0.00 0.24 -1.26 -4.93 118.33 105.94 2kkl n VAL 45 Ca -0.30 -0.18 -0.32 0.00 -2.04 0.00 0.00 64.34 61.50 2kkl n VAL 45 Cb 0.68 0.68 0.02 0.00 -1.47 0.00 0.00 33.84 33.75 2kkl n VAL 45 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2kkl s SER 46 N -2.46 5.60 0.35 -1.34 1.04 -1.26 -4.83 113.70 110.80 2kkl s SER 46 Ca 0.23 1.82 0.00 0.00 0.48 0.00 0.00 55.95 58.48 2kkl s SER 46 Cb 0.19 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.78 2kkl s SER 46 CO 0.52 -1.29 0.00 0.61 0.98 0.00 0.00 173.24 174.06 2kkl n GLY 47 N -1.04 -3.84 0.24 7.32 0.00 -1.26 -4.73 105.19 101.88 2kkl n GLY 47 Ca 0.09 -0.94 0.13 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.51 0.00 -2.44 1.61 0.31 -1.26 -5.03 118.33 110.01 2kkl n VAL 48 Ca 0.00 -0.12 -0.02 0.00 -0.01 0.00 0.00 64.34 64.19 2kkl n VAL 48 Cb 0.14 0.47 -0.02 0.00 -0.91 0.00 0.00 33.84 33.52 2kkl n VAL 48 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2kkl n GLU 49 N -0.70 -5.04 0.00 5.55 2.13 -1.26 -4.49 120.64 116.83 2kkl n GLU 49 Ca 0.11 3.69 0.00 0.00 0.66 0.00 0.00 57.16 61.62 2kkl n GLU 49 Cb 0.36 -4.85 0.00 0.00 0.27 0.00 0.00 31.44 27.22 2kkl n GLU 49 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kkl n GLY 50 N 1.82 2.98 3.47 8.31 0.00 -1.26 -4.88 105.19 115.63 2kkl n GLY 50 Ca -0.14 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 2kkl n GLY 50 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kkl n LEU 51 N 0.00 -2.80 -4.68 0.99 -0.00 -1.26 -4.75 117.00 104.50 2kkl n LEU 51 Ca 0.00 -0.10 -0.45 0.00 -0.00 0.00 0.00 56.01 55.46 2kkl n LEU 51 Cb 0.00 -1.68 -0.04 0.00 -0.00 0.00 0.00 43.42 41.70 2kkl n LEU 51 CO 0.00 -0.20 1.31 -2.65 -0.00 0.00 0.00 177.39 175.85 2kkl n PRO 52 N -0.09 2.31 -1.55 1.96 -0.02 -1.26 -4.89 135.00 131.46 2kkl n PRO 52 Ca -0.07 0.84 -0.46 0.00 -2.02 0.00 0.00 63.50 61.78 2kkl n PRO 52 Cb 0.67 -2.65 -0.02 0.00 -0.02 0.00 0.00 33.50 31.47 2kkl n PRO 52 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2kkl n PRO 53 N 4.41 1.05 0.00 0.52 -0.02 -1.26 -2.01 135.00 137.69 2kkl n PRO 53 Ca 0.18 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2kkl n PRO 53 Cb 0.31 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 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 1.53 3.00 3.90 -1.23 0.00 -1.26 -5.05 105.19 106.08 2kkl n GLY 54 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 4.29 0.18 0.99 1.02 -0.85 -4.72 118.68 119.59 2kkl s LEU 55 Ca 0.00 0.24 -0.10 0.00 0.02 0.00 0.00 54.13 54.28 2kkl s LEU 55 Cb 0.00 -2.88 -0.00 0.00 0.02 0.00 0.00 46.19 43.33 2kkl s LEU 55 CO 0.00 0.18 0.34 0.00 0.02 0.00 0.00 176.35 176.88 2kkl s ALA 56 N -1.48 -0.13 0.11 4.21 0.00 -1.26 -4.77 121.76 118.43 2kkl s ALA 56 Ca 0.34 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.54 2kkl s ALA 56 Cb -0.13 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 2kkl s ALA 56 CO 0.27 -0.69 -0.12 -0.51 0.00 0.00 0.00 175.76 174.70 2kkl s LEU 57 N -2.96 2.41 -0.07 0.00 1.02 -1.05 -2.69 118.68 115.33 2kkl s LEU 57 Ca 0.17 -0.82 0.04 0.00 0.02 0.00 0.00 54.13 53.54 2kkl s LEU 57 Cb 0.02 -0.44 -0.02 0.00 0.02 0.00 0.00 46.19 45.78 2kkl s LEU 57 CO 0.01 -0.20 -0.18 -0.76 0.02 0.00 0.00 176.35 175.24 2kkl s LEU 58 N -2.48 2.50 -0.06 1.79 1.43 -1.08 -2.70 118.68 118.09 2kkl s LEU 58 Ca 0.08 -0.33 0.06 0.00 -1.03 0.00 0.00 54.13 52.91 2kkl s LEU 58 Cb -0.04 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 2kkl s LEU 58 CO 0.02 0.28 -0.24 -0.69 0.23 0.00 0.00 176.35 175.94 2kkl s VAL 59 N -0.35 2.00 -0.28 -1.59 1.01 -1.07 -2.24 120.40 117.89 2kkl s VAL 59 Ca 0.03 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 60.68 2kkl s VAL 59 Cb -0.12 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.56 2kkl s VAL 59 CO 0.02 0.56 1.21 -0.69 0.00 0.00 0.00 175.10 176.20 2kkl s VAL 60 N -0.15 4.31 0.09 2.92 1.01 -1.09 -1.63 120.40 125.87 2kkl s VAL 60 Ca -0.04 1.51 -0.17 0.00 0.00 0.00 0.00 61.98 63.28 2kkl s VAL 60 Cb -0.14 -4.22 -0.07 0.00 0.00 0.00 0.00 36.38 31.95 2kkl s VAL 60 CO 0.04 -0.41 1.51 0.11 0.00 0.00 0.00 175.10 176.35 2kkl h LYS 61 N 8.63 0.52 -2.69 2.72 1.57 -1.71 -3.28 116.57 122.33 2kkl h LYS 61 Ca -0.24 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.28 2kkl h LYS 61 Cb 1.08 -0.04 -0.19 0.00 0.08 0.00 0.00 32.23 33.17 2kkl h LYS 61 CO 1.02 0.69 -0.06 0.50 -0.57 0.00 0.00 179.45 181.03 2kkl s ARG 62 N -4.89 0.88 0.00 3.15 3.52 -1.26 -4.85 118.95 115.50 2kkl s ARG 62 Ca -0.13 -0.10 0.00 0.00 -0.13 0.00 0.00 55.73 55.37 2kkl s ARG 62 Cb 0.08 0.40 0.00 0.00 -1.56 0.00 0.00 34.95 33.87 2kkl s ARG 62 CO 0.76 -0.28 0.00 0.41 -0.81 0.00 0.00 175.30 175.39 2kkl n GLY 63 N 0.90 -0.60 0.37 8.12 0.00 -1.26 -3.80 105.19 108.92 2kkl n GLY 63 Ca -0.20 -1.63 0.13 0.00 0.00 0.00 0.00 46.02 44.32 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 3.54 0.70 0.00 1.61 0.11 -2.01 -3.29 132.00 132.66 2kkl h PRO 64 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2kkl h PRO 64 Cb 0.00 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 30.95 2kkl h PRO 64 CO 0.00 0.46 0.00 0.09 -0.21 0.00 0.00 178.00 178.34 2kkl n ASN 65 N -4.64 0.00 -1.37 -2.05 5.03 -1.26 -5.08 115.26 105.88 2kkl n ASN 65 Ca 0.21 0.15 0.00 0.00 0.87 0.00 0.00 54.58 55.81 2kkl n ASN 65 Cb 0.54 -0.17 0.00 0.00 -1.02 0.00 0.00 39.78 39.13 2kkl n ASN 65 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kkl n ALA 66 N -1.10 -2.51 0.00 5.41 0.00 -1.24 -4.72 120.51 116.35 2kkl n ALA 66 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2kkl n ALA 66 Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 0.96 2.22 3.77 0.00 0.00 -1.24 -5.04 105.19 105.86 2kkl n GLY 67 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2kkl n GLY 67 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kkl s SER 68 N -1.64 6.05 0.07 1.61 0.15 -1.26 -4.86 113.70 113.81 2kkl s SER 68 Ca 0.00 2.47 0.04 0.00 0.70 0.00 0.00 55.95 59.15 2kkl s SER 68 Cb 0.00 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.66 2kkl s SER 68 CO 0.00 -1.01 -0.11 0.00 1.20 0.00 0.00 173.24 173.32 2kkl s ARG 69 N -2.61 0.72 0.01 5.44 1.70 -1.26 -2.67 118.95 120.28 2kkl s ARG 69 Ca 0.63 -0.95 0.05 0.00 -0.47 0.00 0.00 55.73 54.99 2kkl s ARG 69 Cb -0.33 -0.53 -0.02 0.00 -0.57 0.00 0.00 34.95 33.50 2kkl s ARG 69 CO 0.40 0.10 -0.16 -0.06 -1.08 0.00 0.00 175.30 174.51 2kkl s PHE 70 N -1.71 1.40 -0.20 5.89 0.08 -0.95 -4.97 117.98 117.52 2kkl s PHE 70 Ca -0.02 -0.30 -0.09 0.00 0.12 0.00 0.00 56.93 56.64 2kkl s PHE 70 Cb -0.08 -0.87 -0.04 0.00 -0.57 0.00 0.00 43.02 41.46 2kkl s PHE 70 CO 0.01 0.01 0.10 -1.17 -0.10 0.00 0.00 175.22 174.06 2kkl s LEU 71 N -0.66 3.94 -1.20 -0.37 2.96 -1.26 -2.62 118.68 119.46 2kkl s LEU 71 Ca 0.05 0.10 -0.10 0.00 -0.22 0.00 0.00 54.13 53.96 2kkl s LEU 71 Cb -0.07 -2.02 0.21 0.00 0.50 0.00 0.00 46.19 44.81 2kkl s LEU 71 CO 0.00 0.14 1.56 0.18 -1.32 0.00 0.00 176.35 176.91 2kkl n LEU 72 N 3.77 5.96 -0.90 -0.68 4.77 -1.10 -4.68 117.00 124.14 2kkl n LEU 72 Ca -0.16 -4.72 0.11 0.00 -0.03 0.00 0.00 56.01 51.21 2kkl n LEU 72 Cb 0.52 -1.50 0.28 0.00 -2.33 0.00 0.00 43.42 40.39 2kkl n LEU 72 CO 0.35 1.19 0.73 -0.90 -1.33 0.00 0.00 177.39 177.43 2kkl n ASP 73 N 3.96 2.68 -4.44 -1.43 5.75 -1.26 -4.57 116.55 117.23 2kkl n ASP 73 Ca 0.35 -1.89 -0.32 0.00 -0.01 0.00 0.00 54.79 52.91 2kkl n ASP 73 Cb 0.38 -0.21 -0.14 0.00 -1.03 0.00 0.00 41.12 40.13 2kkl n ASP 73 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 2kkl s GLN 74 N -1.58 2.49 0.09 0.11 2.00 -1.26 -5.03 119.66 116.47 2kkl s GLN 74 Ca 0.36 -0.73 -0.24 0.00 -2.00 0.00 0.00 55.36 52.74 2kkl s GLN 74 Cb 0.20 -2.34 -0.14 0.00 0.80 0.00 0.00 33.01 31.53 2kkl s GLN 74 CO 0.28 0.59 1.72 0.00 -0.50 0.00 0.00 175.29 177.39 2kkl h ALA 75 N 5.44 -0.09 -3.01 1.58 0.00 -1.96 -3.40 119.26 117.82 2kkl h ALA 75 Ca -0.45 -0.01 -0.65 0.00 0.00 0.00 0.00 54.91 53.79 2kkl h ALA 75 Cb 1.15 0.05 -0.26 0.00 0.00 0.00 0.00 17.79 18.74 2kkl h ALA 75 CO 0.50 -0.55 -0.69 0.42 0.00 0.00 0.00 179.25 178.92 2kkl s ILE 76 N -6.18 3.67 -0.19 0.00 -1.09 -1.26 -1.55 121.20 114.60 2kkl s ILE 76 Ca -0.14 -0.40 0.00 0.00 -2.23 0.00 0.00 60.65 57.89 2kkl s ILE 76 Cb 0.06 -2.68 0.04 0.00 -1.58 0.00 0.00 42.46 38.31 2kkl s ILE 76 CO 0.66 0.41 -0.09 -0.89 -1.23 0.00 0.00 174.94 173.79 2kkl s THR 77 N 1.42 1.48 0.38 2.92 2.01 -1.06 -4.93 115.64 117.86 2kkl s THR 77 Ca 0.05 -0.88 -0.15 0.00 0.31 0.00 0.00 61.69 61.02 2kkl s THR 77 Cb -0.14 -1.58 -0.09 0.00 0.01 0.00 0.00 72.50 70.70 2kkl s THR 77 CO -0.01 0.17 0.80 -0.44 -0.69 0.00 0.00 174.62 174.46 2kkl s SER 78 N 1.47 6.73 0.28 3.53 0.01 -1.26 -1.63 113.70 122.83 2kkl s SER 78 Ca -0.00 1.35 0.06 0.00 1.31 0.00 0.00 55.95 58.66 2kkl s SER 78 Cb -0.16 -2.40 -0.03 0.00 0.21 0.00 0.00 66.02 63.64 2kkl s SER 78 CO -0.08 -0.31 0.33 0.00 0.41 0.00 0.00 173.24 173.59 2kkl s ALA 79 N -2.17 3.90 0.00 1.44 0.00 -0.94 -4.51 121.76 119.48 2kkl s ALA 79 Ca 0.55 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 51.10 2kkl s ALA 79 Cb -0.10 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.51 2kkl s ALA 79 CO 0.21 0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.51 2kkl n GLY 80 N -1.40 0.54 3.67 0.00 0.00 -1.26 -4.52 105.19 102.22 2kkl n GLY 80 Ca -0.05 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 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 3.92 -0.18 1.61 0.52 -1.25 -1.98 118.95 121.59 2kkl s ARG 81 Ca 0.00 -0.31 -0.31 0.00 -0.52 0.00 0.00 55.73 54.59 2kkl s ARG 81 Cb 0.00 -3.22 0.14 0.00 0.52 0.00 0.00 34.95 32.39 2kkl s ARG 81 CO 0.00 0.34 1.13 -1.01 0.02 0.00 0.00 175.30 175.79 2kkl s HIS 82 N 0.18 -0.22 -0.05 -0.53 3.76 -1.26 -4.87 115.29 112.30 2kkl s HIS 82 Ca 0.05 0.29 -0.21 0.00 -0.15 0.00 0.00 55.06 55.04 2kkl s HIS 82 Cb -0.12 0.49 -0.16 0.00 1.11 0.00 0.00 32.58 33.90 2kkl s HIS 82 CO 0.00 -0.25 0.85 -1.00 -0.85 0.00 0.00 174.74 173.50 2kkl h PRO 83 N 2.21 -0.20 -4.16 8.40 0.13 -1.99 -3.39 132.00 133.01 2kkl h PRO 83 Ca -0.14 0.01 -0.76 0.00 -0.87 0.00 0.00 66.00 64.25 2kkl h PRO 83 Cb 1.18 0.04 -0.24 0.00 0.13 0.00 0.00 31.00 32.12 2kkl h PRO 83 CO 0.26 0.24 0.38 0.16 -0.23 0.00 0.00 178.00 178.81 2kkl s ASP 84 N -5.50 6.80 -0.29 1.44 -4.77 -1.26 -4.95 116.67 108.14 2kkl s ASP 84 Ca -0.13 -2.62 -0.15 0.00 -3.30 0.00 0.00 52.55 46.35 2kkl s ASP 84 Cb 0.00 -2.27 0.13 0.00 -1.09 0.00 0.00 42.92 39.70 2kkl s ASP 84 CO 0.47 -0.68 0.88 -0.94 0.70 0.00 0.00 175.17 175.60 2kkl s SER 85 N 2.50 -0.69 0.21 2.11 1.04 -1.26 -4.53 113.70 113.07 2kkl s SER 85 Ca 0.24 1.05 -0.08 0.00 0.48 0.00 0.00 55.95 57.64 2kkl s SER 85 Cb -0.08 1.47 0.14 0.00 0.10 0.00 0.00 66.02 67.64 2kkl s SER 85 CO -0.09 -0.16 1.74 -0.78 0.98 0.00 0.00 173.24 174.93 2kkl h ASP 86 N 6.79 1.09 -3.37 7.02 3.58 -1.89 -3.41 116.42 126.23 2kkl h ASP 86 Ca -0.25 -0.21 -0.57 0.00 0.42 0.00 0.00 57.03 56.42 2kkl h ASP 86 Cb 1.17 -0.29 -0.07 0.00 1.72 0.00 0.00 39.33 41.87 2kkl h ASP 86 CO 0.15 1.02 0.10 -0.63 -2.88 0.00 0.00 179.24 177.00 2kkl s ILE 87 N -5.39 5.04 -0.50 2.25 1.01 -1.26 -4.92 121.20 117.43 2kkl s ILE 87 Ca -0.12 1.33 0.03 0.00 0.00 0.00 0.00 60.65 61.89 2kkl s ILE 87 Cb 0.15 -3.99 0.15 0.00 0.01 0.00 0.00 42.46 38.78 2kkl s ILE 87 CO 0.85 0.20 0.32 0.12 0.00 0.00 0.00 174.94 176.42 2kkl s PHE 88 N 1.24 2.20 -0.68 3.97 5.36 -1.26 -4.32 117.98 124.49 2kkl s PHE 88 Ca 0.34 -2.63 -0.13 0.00 -0.96 0.00 0.00 56.93 53.54 2kkl s PHE 88 Cb -0.17 -1.91 0.17 0.00 -0.34 0.00 0.00 43.02 40.78 2kkl s PHE 88 CO 0.14 -0.74 0.61 -0.51 -1.46 0.00 0.00 175.22 173.27 2kkl s LEU 89 N -0.13 6.36 -1.07 6.12 1.43 -0.84 -4.94 118.68 125.61 2kkl s LEU 89 Ca 0.22 -2.31 -0.17 0.00 -1.03 0.00 0.00 54.13 50.84 2kkl s LEU 89 Cb -0.14 -2.17 0.14 0.00 0.03 0.00 0.00 46.19 44.05 2kkl s LEU 89 CO -0.08 -0.67 1.30 1.51 0.23 0.00 0.00 176.35 178.65 2kkl s ASP 90 N 2.61 6.81 0.26 2.29 -4.77 -1.26 -4.26 116.67 118.36 2kkl s ASP 90 Ca 0.11 -2.41 -0.16 0.00 -3.30 0.00 0.00 52.55 46.79 2kkl s ASP 90 Cb -0.19 -2.42 0.01 0.00 -1.09 0.00 0.00 42.92 39.22 2kkl s ASP 90 CO -0.04 -0.97 0.58 1.51 0.70 0.00 0.00 175.17 176.96 2kkl s ASP 91 N 3.43 -0.16 1.02 2.11 -4.77 -1.26 -5.12 116.67 111.92 2kkl s ASP 91 Ca 0.39 -0.80 -0.14 0.00 -3.30 0.00 0.00 52.55 48.70 2kkl s ASP 91 Cb -0.03 0.65 0.20 0.00 -1.09 0.00 0.00 42.92 42.64 2kkl s ASP 91 CO -0.05 -1.23 1.12 -0.69 0.70 0.00 0.00 175.17 175.02 2kkl s VAL 92 N -3.96 1.92 0.00 2.11 1.01 -1.26 -3.37 120.40 116.85 2kkl s VAL 92 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2kkl s VAL 92 Cb -0.03 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.76 2kkl s VAL 92 CO 0.08 0.00 0.00 0.35 0.00 0.00 0.00 175.10 175.53 2kkl n THR 93 N -4.16 0.00 0.04 3.92 -2.24 -1.26 -4.57 114.28 106.00 2kkl n THR 93 Ca 0.08 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.91 2kkl n THR 93 Cb 0.58 -0.14 -0.09 0.00 -2.10 0.00 0.00 70.33 68.59 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 -2.00 0.00 -0.81 2.28 0.31 -1.22 -3.95 118.33 112.94 2kkl n VAL 94 Ca 0.00 -0.26 0.02 0.00 -0.01 0.00 0.00 64.34 64.09 2kkl n VAL 94 Cb 0.00 0.30 -0.00 0.00 -0.91 0.00 0.00 33.84 33.22 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 -1.85 -1.59 -0.08 4.52 7.64 -1.25 -3.17 113.62 117.84 2kkl n SER 95 Ca -0.02 0.14 -0.13 0.00 1.01 0.00 0.00 58.87 59.87 2kkl n SER 95 Cb 0.29 -0.55 -0.05 0.00 -1.01 0.00 0.00 64.21 62.89 2kkl n SER 95 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2kkl h ARG 96 N 0.00 0.58 -2.49 1.43 2.43 -1.91 -3.39 114.38 111.03 2kkl h ARG 96 Ca 0.00 -0.32 -0.56 0.00 -0.81 0.00 0.00 59.98 58.29 2kkl h ARG 96 Cb 0.12 0.02 -0.38 0.00 -0.42 0.00 0.00 29.97 29.31 2kkl h ARG 96 CO 0.00 0.92 -0.84 1.03 -1.51 0.00 0.00 179.97 179.56 2kkl s ARG 97 N -4.28 0.59 -0.20 0.20 0.52 -1.26 -3.84 118.95 110.69 2kkl s ARG 97 Ca -0.13 -1.35 0.17 0.00 -0.52 0.00 0.00 55.73 53.90 2kkl s ARG 97 Cb 0.07 -1.24 -0.24 0.00 0.52 0.00 0.00 34.95 34.06 2kkl s ARG 97 CO 0.81 -1.23 0.08 1.58 0.02 0.00 0.00 175.30 176.56 2kkl n HIS 98 N 3.94 0.05 -3.75 -0.53 -0.00 -1.19 -3.40 115.22 110.34 2kkl n HIS 98 Ca 0.14 0.02 -0.13 0.00 0.46 0.00 0.00 57.72 58.21 2kkl n HIS 98 Cb 0.39 -1.01 -0.08 0.00 -0.12 0.00 0.00 29.99 29.17 2kkl n HIS 98 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2kkl s ALA 99 N -2.50 -0.78 0.02 1.57 0.00 -1.26 -0.91 121.76 117.91 2kkl s ALA 99 Ca -0.11 0.25 -0.01 0.00 0.00 0.00 0.00 51.96 52.09 2kkl s ALA 99 Cb 0.06 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 2kkl s ALA 99 CO 0.82 -0.31 0.00 -2.00 0.00 0.00 0.00 175.76 174.27 2kkl s GLU 100 N -1.69 0.35 0.02 0.00 2.12 -1.03 -2.21 118.70 116.26 2kkl s GLU 100 Ca -0.11 -0.59 0.04 0.00 0.36 0.00 0.00 54.97 54.66 2kkl s GLU 100 Cb -0.04 0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.45 2kkl s GLU 100 CO 0.02 -0.06 -0.05 -0.06 -0.54 0.00 0.00 175.26 174.57 2kkl s PHE 101 N -1.53 2.92 -0.02 5.30 0.08 -0.65 -2.47 117.98 121.61 2kkl s PHE 101 Ca -0.15 -0.03 0.02 0.00 0.12 0.00 0.00 56.93 56.89 2kkl s PHE 101 Cb -0.09 -1.59 0.00 0.00 -0.57 0.00 0.00 43.02 40.77 2kkl s PHE 101 CO -0.01 0.41 -0.08 0.50 -0.10 0.00 0.00 175.22 175.94 2kkl s ARG 102 N -1.64 0.85 -0.22 0.44 3.52 -1.01 -2.55 118.95 118.33 2kkl s ARG 102 Ca 0.19 -0.27 -0.14 0.00 -0.13 0.00 0.00 55.73 55.38 2kkl s ARG 102 Cb -0.11 -0.81 -0.04 0.00 -1.56 0.00 0.00 34.95 32.42 2kkl s ARG 102 CO 0.10 0.11 0.30 -1.17 -0.81 0.00 0.00 175.30 173.82 2kkl s LEU 103 N 0.17 4.13 0.00 -0.88 2.96 -0.60 -0.11 118.68 124.35 2kkl s LEU 103 Ca -0.02 0.33 0.00 0.00 -0.22 0.00 0.00 54.13 54.22 2kkl s LEU 103 Cb -0.08 -2.34 0.00 0.00 0.50 0.00 0.00 46.19 44.27 2kkl s LEU 103 CO 0.00 -0.03 0.00 1.21 -1.32 0.00 0.00 176.35 176.22 2kkl n GLU 104 N 4.46 0.00 -2.99 1.98 2.13 -0.51 -4.93 120.64 120.78 2kkl n GLU 104 Ca -0.11 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.27 2kkl n GLU 104 Cb 0.51 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.22 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 0.00 5.30 -3.06 4.31 3.02 -1.26 -4.48 115.26 119.08 2kkl n ASN 105 Ca 0.00 -3.00 -0.22 0.00 -0.03 0.00 0.00 54.58 51.33 2kkl n ASN 105 Cb 0.00 -1.52 0.02 0.00 -0.61 0.00 0.00 39.78 37.66 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 4.89 -5.19 -3.70 6.41 5.03 -1.26 -4.95 115.26 116.49 2kkl n ASN 106 Ca 0.34 -0.28 -0.11 0.00 0.87 0.00 0.00 54.58 55.41 2kkl n ASN 106 Cb 0.41 -4.23 -0.11 0.00 -1.02 0.00 0.00 39.78 34.83 2kkl n ASN 106 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 2kkl s GLU 107 N -5.73 0.40 0.37 3.52 -1.05 -1.26 -4.59 118.70 110.35 2kkl s GLU 107 Ca 0.30 0.74 -0.17 0.00 -0.15 0.00 0.00 54.97 55.70 2kkl s GLU 107 Cb -0.14 0.01 -0.09 0.00 -0.44 0.00 0.00 34.13 33.46 2kkl s GLU 107 CO 0.37 -0.14 0.82 -0.06 0.95 0.00 0.00 175.26 177.19 2kkl s PHE 108 N 1.22 3.36 0.22 4.83 0.08 -1.26 -1.43 117.98 125.00 2kkl s PHE 108 Ca -0.08 1.35 0.10 0.00 0.12 0.00 0.00 56.93 58.42 2kkl s PHE 108 Cb -0.08 -2.64 -0.05 0.00 -0.57 0.00 0.00 43.02 39.69 2kkl s PHE 108 CO -0.11 0.00 -0.19 -0.80 -0.10 0.00 0.00 175.22 174.02 2kkl s ASN 109 N -2.31 3.17 -0.11 1.36 0.01 0.84 -0.97 114.94 116.93 2kkl s ASN 109 Ca 0.57 -0.96 0.03 0.00 -0.71 0.00 0.00 52.86 51.79 2kkl s ASN 109 Cb -0.10 -0.23 0.01 0.00 0.41 0.00 0.00 41.25 41.34 2kkl s ASN 109 CO 0.17 0.00 -0.22 0.54 -1.51 0.00 0.00 177.10 176.08 2kkl s VAL 110 N -2.32 1.97 -0.02 1.60 0.11 -0.73 -2.42 120.40 118.59 2kkl s VAL 110 Ca 0.24 -0.95 0.03 0.00 -2.93 0.00 0.00 61.98 58.37 2kkl s VAL 110 Cb -0.05 -1.72 -0.00 0.00 -1.53 0.00 0.00 36.38 33.07 2kkl s VAL 110 CO 0.11 0.54 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.61 2kkl s VAL 111 N 0.59 0.94 -0.82 2.04 1.01 -1.03 -2.62 120.40 120.51 2kkl s VAL 111 Ca -0.13 -0.48 -0.23 0.00 0.00 0.00 0.00 61.98 61.14 2kkl s VAL 111 Cb -0.17 -0.81 0.07 0.00 0.00 0.00 0.00 36.38 35.47 2kkl s VAL 111 CO 0.04 0.28 1.19 1.51 0.00 0.00 0.00 175.10 178.11 2kkl s ASP 112 N -0.03 6.34 0.13 3.32 -4.77 -1.26 -2.47 116.67 117.93 2kkl s ASP 112 Ca 0.00 -1.18 -0.14 0.00 -3.30 0.00 0.00 52.55 47.93 2kkl s ASP 112 Cb -0.07 -2.48 -0.01 0.00 -1.09 0.00 0.00 42.92 39.26 2kkl s ASP 112 CO 0.00 -1.48 1.57 0.58 0.70 0.00 0.00 175.17 176.55 2kkl h VAL 113 N 6.15 1.26 -0.07 2.11 2.07 -1.69 -3.44 116.25 122.63 2kkl h VAL 113 Ca -0.08 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.38 2kkl h VAL 113 Cb 1.04 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2kkl h VAL 113 CO 1.25 0.36 0.00 0.61 0.02 0.00 0.00 177.57 179.81 2kkl n GLY 114 N -0.34 -0.72 3.74 2.17 0.00 -0.08 -4.94 105.19 105.03 2kkl n GLY 114 Ca -0.00 -1.32 -0.37 0.00 0.00 0.00 0.00 46.02 44.32 2kkl n GLY 114 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kkl s SER 115 N -1.37 4.88 0.22 1.61 0.15 -1.26 -4.91 113.70 113.02 2kkl s SER 115 Ca 0.00 2.57 -0.08 0.00 0.70 0.00 0.00 55.95 59.14 2kkl s SER 115 Cb 0.00 -2.61 0.17 0.00 -1.71 0.00 0.00 66.02 61.87 2kkl s SER 115 CO 0.00 -1.81 1.80 -0.07 1.20 0.00 0.00 173.24 174.36 2kkl h LEU 116 N 0.78 1.11 -9.46 3.45 3.38 -1.92 -3.42 115.31 109.23 2kkl h LEU 116 Ca -0.51 -0.15 -0.53 0.00 0.09 0.00 0.00 57.88 56.77 2kkl h LEU 116 Cb 1.32 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 2kkl h LEU 116 CO 0.54 0.96 0.37 0.54 0.09 0.00 0.00 178.44 180.94 2kkl s ASN 117 N -6.32 7.41 0.00 -0.43 4.22 -1.26 -4.29 114.94 114.27 2kkl s ASN 117 Ca -0.12 1.70 0.00 0.00 -2.14 0.00 0.00 52.86 52.30 2kkl s ASN 117 Cb 0.16 -2.58 0.00 0.00 1.28 0.00 0.00 41.25 40.11 2kkl s ASN 117 CO 0.84 -0.20 0.00 0.61 -2.04 0.00 0.00 177.10 176.30 2kkl n GLY 118 N 2.70 2.06 3.71 0.45 0.00 -1.26 -5.08 105.19 107.78 2kkl n GLY 118 Ca 0.05 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 2kkl n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kkl s THR 119 N 0.00 4.92 0.07 2.61 2.01 -1.26 -4.89 115.64 119.10 2kkl s THR 119 Ca 0.00 1.87 -0.08 0.00 0.31 0.00 0.00 61.69 63.79 2kkl s THR 119 Cb 0.00 -4.23 -0.00 0.00 0.01 0.00 0.00 72.50 68.27 2kkl s THR 119 CO 0.00 0.17 0.17 -0.72 -0.69 0.00 0.00 174.62 173.55 2kkl s TYR 120 N 1.03 0.16 -0.06 4.92 -0.85 -1.26 -4.53 117.35 116.76 2kkl s TYR 120 Ca 0.47 -0.56 0.05 0.00 -0.52 0.00 0.00 57.07 56.51 2kkl s TYR 120 Cb -0.20 -0.08 -0.01 0.00 0.38 0.00 0.00 41.96 42.05 2kkl s TYR 120 CO 0.24 -0.50 -0.23 0.54 -1.52 0.00 0.00 175.55 174.08 2kkl s VAL 121 N -3.57 1.89 -1.45 -3.49 0.11 -1.10 -4.40 120.40 108.40 2kkl s VAL 121 Ca 0.03 -0.96 -0.09 0.00 -2.93 0.00 0.00 61.98 58.02 2kkl s VAL 121 Cb 0.04 -1.62 0.03 0.00 -1.53 0.00 0.00 36.38 33.30 2kkl s VAL 121 CO -0.09 0.53 0.95 0.59 -3.33 0.00 0.00 175.10 173.74 2kkl n ASN 122 N 3.15 -5.80 0.00 3.54 3.02 -1.26 -1.20 115.26 116.71 2kkl n ASN 122 Ca -0.18 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 53.85 2kkl n ASN 122 Cb 0.52 -4.62 0.00 0.00 -0.61 0.00 0.00 39.78 35.07 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 -4.60 -0.01 -4.16 3.52 1.74 -1.26 -4.90 116.66 106.98 2kkl n ARG 123 Ca -0.02 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.75 2kkl n ARG 123 Cb 0.57 -3.94 -0.08 0.00 -1.02 0.00 0.00 32.46 27.99 2kkl n ARG 123 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2kkl s GLU 124 N -0.84 2.76 0.45 5.56 2.02 -0.34 -5.07 118.70 123.23 2kkl s GLU 124 Ca 0.00 -0.69 -0.20 0.00 0.02 0.00 0.00 54.97 54.10 2kkl s GLU 124 Cb 0.00 -2.66 -0.15 0.00 0.10 0.00 0.00 34.13 31.42 2kkl s GLU 124 CO 0.00 0.59 0.06 -2.30 0.02 0.00 0.00 175.26 173.63 2kkl n PRO 125 N 0.90 0.07 -4.93 0.39 -0.02 -1.26 -2.73 135.00 127.42 2kkl n PRO 125 Ca -0.12 0.02 -0.27 0.00 -2.02 0.00 0.00 63.50 61.11 2kkl n PRO 125 Cb 0.52 -1.07 -0.16 0.00 -0.02 0.00 0.00 33.50 32.77 2kkl n PRO 125 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2kkl s VAL 126 N -1.79 1.57 -0.41 -1.45 0.11 -1.26 -4.60 120.40 112.57 2kkl s VAL 126 Ca 0.59 -0.79 0.09 0.00 -2.93 0.00 0.00 61.98 58.95 2kkl s VAL 126 Cb -0.57 -1.34 0.34 0.00 -1.53 0.00 0.00 36.38 33.27 2kkl s VAL 126 CO 0.63 0.45 0.90 -0.67 -3.33 0.00 0.00 175.10 173.08 2kkl n ASP 127 N 3.12 -0.53 -1.43 3.54 -0.08 -1.26 -4.88 116.55 115.03 2kkl n ASP 127 Ca -0.18 -3.30 0.00 0.00 -1.51 0.00 0.00 54.79 49.80 2kkl n ASP 127 Cb 0.53 0.47 0.00 0.00 2.34 0.00 0.00 41.12 44.46 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 0.31 -1.90 -4.24 1.67 3.41 -1.25 -5.06 113.62 106.56 2kkl n SER 128 Ca 0.17 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.57 2kkl n SER 128 Cb 0.68 -0.95 -0.12 0.00 -0.26 0.00 0.00 64.21 63.56 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 1.51 0.02 7.33 0.00 -1.08 -4.97 121.76 124.57 2kkl s ALA 129 Ca 0.00 -1.17 -0.28 0.00 0.00 0.00 0.00 51.96 50.50 2kkl s ALA 129 Cb 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 2kkl s ALA 129 CO 0.00 0.23 0.91 0.08 0.00 0.00 0.00 175.76 176.98 2kkl s VAL 130 N -1.45 4.80 0.50 0.00 1.01 -1.26 -1.77 120.40 122.22 2kkl s VAL 130 Ca 0.04 1.92 -0.19 0.00 0.00 0.00 0.00 61.98 63.76 2kkl s VAL 130 Cb -0.09 -4.26 -0.08 0.00 0.00 0.00 0.00 36.38 31.95 2kkl s VAL 130 CO 0.03 0.23 1.01 -0.76 0.00 0.00 0.00 175.10 175.61 2kkl s LEU 131 N 0.64 3.76 0.03 3.92 1.43 -0.14 -4.94 118.68 123.39 2kkl s LEU 131 Ca 0.47 1.78 -0.18 0.00 -1.03 0.00 0.00 54.13 55.18 2kkl s LEU 131 Cb -0.21 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.50 2kkl s LEU 131 CO 0.26 -0.71 0.40 0.00 0.23 0.00 0.00 176.35 176.53 2kkl s ALA 132 N -2.24 -0.98 0.09 4.21 0.00 -1.26 -4.64 121.76 116.94 2kkl s ALA 132 Ca 0.64 0.33 -0.36 0.00 0.00 0.00 0.00 51.96 52.56 2kkl s ALA 132 Cb -0.13 0.29 -0.16 0.00 0.00 0.00 0.00 23.12 23.11 2kkl s ALA 132 CO 0.23 -0.42 1.38 -1.71 0.00 0.00 0.00 175.76 175.25 2kkl n ASN 133 N 0.65 1.87 0.00 0.00 5.15 -1.26 -1.44 115.26 120.22 2kkl n ASN 133 Ca -0.19 1.11 0.00 0.00 -0.60 0.00 0.00 54.58 54.90 2kkl n ASN 133 Cb 0.59 -1.22 0.00 0.00 -0.53 0.00 0.00 39.78 38.62 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 2.67 0.67 3.88 8.20 0.00 -0.83 -5.03 105.19 114.76 2kkl n GLY 134 Ca 0.18 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.30 6.59 -0.15 1.61 1.01 -0.52 -4.94 116.67 117.97 2kkl s ASP 135 Ca 0.00 0.88 -0.04 0.00 0.71 0.00 0.00 52.55 54.11 2kkl s ASP 135 Cb 0.00 -2.21 -0.03 0.00 1.01 0.00 0.00 42.92 41.69 2kkl s ASP 135 CO 0.00 -0.10 -0.03 -1.61 0.21 0.00 0.00 175.17 173.64 2kkl s GLU 136 N -2.95 3.61 -0.06 8.23 0.41 -1.26 -0.68 118.70 125.99 2kkl s GLU 136 Ca 0.47 -0.51 0.04 0.00 -0.41 0.00 0.00 54.97 54.56 2kkl s GLU 136 Cb -0.11 -2.90 -0.00 0.00 -1.78 0.00 0.00 34.13 29.33 2kkl s GLU 136 CO 0.23 0.28 -0.19 0.08 -0.49 0.00 0.00 175.26 175.18 2kkl s VAL 137 N 0.25 1.59 -0.14 2.63 1.01 -0.78 -4.50 120.40 120.46 2kkl s VAL 137 Ca -0.03 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.20 2kkl s VAL 137 Cb -0.14 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.88 2kkl s VAL 137 CO 0.03 0.45 -0.20 -1.58 0.00 0.00 0.00 175.10 173.80 2kkl s GLN 138 N 0.20 2.85 -0.10 2.72 0.74 -1.26 -1.98 119.66 122.83 2kkl s GLN 138 Ca -0.09 -0.79 0.04 0.00 0.05 0.00 0.00 55.36 54.56 2kkl s GLN 138 Cb -0.14 -2.33 0.00 0.00 1.10 0.00 0.00 33.01 31.64 2kkl s GLN 138 CO 0.04 -0.04 -0.23 0.42 -0.55 0.00 0.00 175.29 174.93 2kkl s ILE 139 N 0.89 2.01 0.00 -2.34 1.01 -1.06 -4.44 121.20 117.27 2kkl s ILE 139 Ca -0.06 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.60 2kkl s ILE 139 Cb -0.15 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.58 2kkl s ILE 139 CO -0.03 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.07 2kkl n GLY 140 N 3.55 0.44 0.00 6.18 0.00 -1.25 -1.13 105.19 112.97 2kkl n GLY 140 Ca -0.19 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00 2.37 -2.51 1.61 4.81 -1.26 -5.01 118.16 118.17 2kkl n LYS 141 Ca 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.06 2kkl n LYS 141 Cb 0.00 -0.78 -0.04 0.00 0.02 0.00 0.00 35.03 34.23 2kkl n LYS 141 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2kkl s PHE 142 N -1.22 3.41 -0.13 5.64 0.40 -0.29 -5.03 117.98 120.77 2kkl s PHE 142 Ca 0.00 1.67 -0.05 0.00 -0.60 0.00 0.00 56.93 57.95 2kkl s PHE 142 Cb 0.00 -3.20 -0.04 0.00 0.51 0.00 0.00 43.02 40.30 2kkl s PHE 142 CO 0.00 -0.59 0.07 1.03 0.70 0.00 0.00 175.22 176.44 2kkl s ARG 143 N -2.02 3.44 0.02 0.44 1.81 -1.25 -2.55 118.95 118.85 2kkl s ARG 143 Ca 0.52 -0.28 -0.01 0.00 -1.72 0.00 0.00 55.73 54.23 2kkl s ARG 143 Cb -0.26 -3.07 -0.02 0.00 -0.45 0.00 0.00 34.95 31.15 2kkl s ARG 143 CO 0.34 0.61 -0.00 -0.51 -0.68 0.00 0.00 175.30 175.06 2kkl s LEU 144 N -0.59 2.16 -0.05 2.53 1.02 -0.84 -1.87 118.68 121.04 2kkl s LEU 144 Ca 0.11 -0.55 0.04 0.00 0.02 0.00 0.00 54.13 53.76 2kkl s LEU 144 Cb -0.12 0.22 -0.00 0.00 0.02 0.00 0.00 46.19 46.31 2kkl s LEU 144 CO 0.02 -0.37 -0.19 0.54 0.02 0.00 0.00 176.35 176.37 2kkl s VAL 145 N -1.93 1.61 -0.46 -1.59 0.11 -0.64 -1.88 120.40 115.62 2kkl s VAL 145 Ca -0.11 -0.81 -0.20 0.00 -2.93 0.00 0.00 61.98 57.93 2kkl s VAL 145 Cb -0.06 -1.38 0.03 0.00 -1.53 0.00 0.00 36.38 33.44 2kkl s VAL 145 CO -0.02 0.46 0.62 0.12 -3.33 0.00 0.00 175.10 172.94 2kkl s PHE 146 N 0.08 3.07 0.02 1.54 5.36 0.14 -2.59 117.98 125.60 2kkl s PHE 146 Ca -0.06 -0.24 -0.00 0.00 -0.96 0.00 0.00 56.93 55.67 2kkl s PHE 146 Cb -0.13 -3.35 -0.02 0.00 -0.34 0.00 0.00 43.02 39.18 2kkl s PHE 146 CO 0.03 -0.91 -0.02 -0.51 -1.46 0.00 0.00 175.22 172.35 2kkl s LEU 147 N 2.70 2.23 0.71 6.12 1.43 -1.10 -1.96 118.68 128.81 2kkl s LEU 147 Ca 0.19 -0.52 -0.05 0.00 -1.03 0.00 0.00 54.13 52.72 2kkl s LEU 147 Cb -0.16 0.13 0.08 0.00 0.03 0.00 0.00 46.19 46.28 2kkl s LEU 147 CO 0.16 -0.33 1.00 0.42 0.23 0.00 0.00 176.35 177.84 2kkl s THR 148 N -1.64 2.29 -2.00 5.49 -4.23 -1.26 -2.54 115.64 111.74 2kkl s THR 148 Ca -0.14 -0.38 0.02 0.00 -1.18 0.00 0.00 61.69 60.01 2kkl s THR 148 Cb -0.09 -2.91 0.07 0.00 1.34 0.00 0.00 72.50 70.91 2kkl s THR 148 CO -0.02 0.00 0.50 0.61 -0.54 0.00 0.00 174.62 175.17 2kkl n GLY 149 N -2.89 -0.12 3.14 3.99 0.00 -1.26 -4.86 105.19 103.19 2kkl n GLY 149 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.83 -0.36 -2.35 1.61 -0.00 -1.26 -4.83 115.22 107.20 2kkl n HIS 150 Ca 0.02 0.16 -0.30 0.00 -0.00 0.00 0.00 57.72 57.60 2kkl n HIS 150 Cb 0.01 -1.27 -0.01 0.00 -0.00 0.00 0.00 29.99 28.72 2kkl n HIS 150 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 2kkl s LYS 151 N -0.98 3.71 0.46 1.57 -2.85 -1.26 -5.00 119.74 115.38 2kkl s LYS 151 Ca -0.00 0.64 -0.25 0.00 -1.00 0.00 0.00 55.97 55.36 2kkl s LYS 151 Cb 0.00 -2.21 -0.08 0.00 -2.06 0.00 0.00 37.83 33.47 2kkl s LYS 151 CO 0.07 -0.31 1.44 0.94 0.10 0.00 0.00 175.35 177.58 2kkl n GLN 152 N -2.06 2.24 -2.00 1.78 -0.06 -1.26 -4.93 117.38 111.09 2kkl n GLN 152 Ca 0.04 0.80 -0.39 0.00 -2.00 0.00 0.00 57.00 55.45 2kkl n GLN 152 Cb 0.54 -2.64 0.01 0.00 -4.06 0.00 0.00 30.24 24.09 2kkl n GLN 152 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 2kkl s GLY 153 N -0.49 2.89 0.76 1.69 0.00 -1.26 -5.01 107.32 105.91 2kkl s GLY 153 Ca 0.62 1.23 -0.12 0.00 0.00 0.00 0.00 44.72 46.46 2kkl s GLY 153 CO 0.57 1.79 1.12 -1.83 0.00 0.00 0.00 173.10 174.76 2kkl s GLU 154 N -2.46 2.38 0.00 2.90 -1.05 -1.26 -5.05 118.70 114.15 2kkl s GLU 154 Ca 0.61 0.37 0.00 0.00 -0.15 0.00 0.00 54.97 55.81 2kkl s GLU 154 Cb -0.38 -1.97 0.00 0.00 -0.44 0.00 0.00 34.13 31.34 2kkl s GLU 154 CO 0.47 -1.36 0.00 -0.40 0.95 0.00 0.00 175.26 174.93 2kkl n ASP 155 N -3.21 -0.36 -4.77 0.83 5.75 -1.26 -4.89 116.55 108.64 2kkl n ASP 155 Ca 0.07 0.00 -0.37 0.00 -0.01 0.00 0.00 54.79 54.48 2kkl n ASP 155 Cb 0.58 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.66 2kkl n ASP 155 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2kkl s LEU 156 N 0.00 4.04 -0.44 -2.12 1.43 -1.26 -4.89 118.68 115.44 2kkl s LEU 156 Ca 0.00 2.29 -0.07 0.00 -1.03 0.00 0.00 54.13 55.32 2kkl s LEU 156 Cb 0.00 -4.22 -0.19 0.00 0.03 0.00 0.00 46.19 41.81 2kkl s LEU 156 CO 0.00 -0.86 3.37 -0.62 0.23 0.00 0.00 176.35 178.47 2kkl n GLU 157 N -0.41 2.49 -3.15 1.70 1.02 -1.26 -4.77 120.64 116.26 2kkl n GLU 157 Ca 0.07 -1.46 -0.10 0.00 -0.02 0.00 0.00 57.16 55.65 2kkl n GLU 157 Cb 0.48 -2.21 0.01 0.00 -0.02 0.00 0.00 31.44 29.70 2kkl n GLU 157 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2kkl n HIS 158 N 2.57 -1.75 -1.19 -0.32 -0.00 -1.26 -4.68 115.22 108.59 2kkl n HIS 158 Ca 0.52 0.75 0.13 0.00 -0.00 0.00 0.00 57.72 59.12 2kkl n HIS 158 Cb 0.72 -2.05 -0.06 0.00 -0.00 0.00 0.00 29.99 28.60 2kkl n HIS 158 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kkl n HIS 159 N 0.67 -2.75 -1.67 1.57 8.25 -1.26 -4.98 115.22 115.05 2kkl n HIS 159 Ca -0.01 1.48 0.00 0.00 -0.26 0.00 0.00 57.72 58.93 2kkl n HIS 159 Cb 0.45 -2.50 0.00 0.00 1.12 0.00 0.00 29.99 29.06 2kkl n HIS 159 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kkl n HIS 160 N -3.81 -4.35 -4.51 4.41 -0.00 -1.26 -4.95 115.22 100.75 2kkl n HIS 160 Ca -0.05 2.32 -0.33 0.00 -0.00 0.00 0.00 57.72 59.67 2kkl n HIS 160 Cb 0.57 -3.45 -0.16 0.00 -0.00 0.00 0.00 29.99 26.94 2kkl n HIS 160 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kkl s HIS 161 N -3.57 2.68 0.00 4.41 2.46 -1.26 -4.61 115.29 115.40 2kkl s HIS 161 Ca 0.00 -1.42 0.00 0.00 0.47 0.00 0.00 55.06 54.11 2kkl s HIS 161 Cb 0.00 -1.83 0.00 0.00 -0.13 0.00 0.00 32.58 30.62 2kkl s HIS 161 CO 0.00 -0.67 0.00 1.58 -2.47 0.00 0.00 174.74 173.18 2kkl n HIS 162 N 4.23 0.00 -1.81 3.88 -0.00 -1.26 -5.19 115.22 115.07 2kkl n HIS 162 Ca -0.20 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.98 2kkl n HIS 162 Cb 0.51 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.38 2kkl n HIS 162 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38