#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 -1.24 0.35 1.45 5.36 -1.26 -5.15 117.98 117.50 2kkl s PHE 25 Ca 0.00 1.70 -0.26 0.00 -0.96 0.00 0.00 56.93 57.41 2kkl s PHE 25 Cb 0.00 0.49 -0.09 0.00 -0.34 0.00 0.00 43.02 43.07 2kkl s PHE 25 CO 0.00 -0.72 1.02 -0.98 -1.46 0.00 0.00 175.22 173.08 2kkl s ARG 26 N 2.77 4.38 1.25 10.12 1.70 -1.26 -5.00 118.95 132.92 2kkl s ARG 26 Ca 0.08 1.49 -0.19 0.00 -0.47 0.00 0.00 55.73 56.63 2kkl s ARG 26 Cb -0.14 -2.73 0.30 0.00 -0.57 0.00 0.00 34.95 31.81 2kkl s ARG 26 CO -0.18 0.06 0.68 0.00 -1.08 0.00 0.00 175.30 174.78 2kkl n ALA 27 N 0.34 -4.13 1.94 7.88 0.00 -1.26 -4.82 120.51 120.46 2kkl n ALA 27 Ca 0.03 -1.20 0.16 0.00 0.00 0.00 0.00 53.44 52.43 2kkl n ALA 27 Cb 0.49 -0.11 0.91 0.00 0.00 0.00 0.00 19.45 20.75 2kkl n ALA 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kkl n ASP 28 N -4.07 0.10 -0.00 0.00 8.00 -1.26 -4.77 116.55 114.54 2kkl n ASP 28 Ca 0.11 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.62 2kkl n ASP 28 Cb 0.47 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 2kkl n ASP 28 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 2kkl n PHE 29 N -0.94 -0.00 -1.29 1.24 -1.74 -1.26 -5.03 117.46 108.44 2kkl n PHE 29 Ca 0.23 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.83 2kkl n PHE 29 Cb 0.13 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 40.98 2kkl n PHE 29 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 2kkl n LEU 30 N 0.00 -0.29 -3.78 5.98 4.77 -1.26 -4.77 117.00 117.65 2kkl n LEU 30 Ca 0.00 -0.07 -0.35 0.00 -0.03 0.00 0.00 56.01 55.56 2kkl n LEU 30 Cb 0.00 -0.67 0.04 0.00 -2.33 0.00 0.00 43.42 40.45 2kkl n LEU 30 CO 0.00 -0.84 -1.47 -0.24 -1.33 0.00 0.00 177.39 173.51 2kkl n SER 31 N 7.53 -4.96 -1.79 -1.43 2.88 -1.26 -4.64 113.62 109.95 2kkl n SER 31 Ca 0.58 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 2kkl n SER 31 Cb 0.06 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 2kkl n SER 31 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2kkl n GLU 32 N 2.36 -4.99 -2.23 -1.46 1.02 -1.26 -4.89 120.64 109.20 2kkl n GLU 32 Ca -0.02 3.68 -0.33 0.00 -0.02 0.00 0.00 57.16 60.47 2kkl n GLU 32 Cb 0.58 -4.13 -0.01 0.00 -0.02 0.00 0.00 31.44 27.87 2kkl n GLU 32 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kkl s LEU 33 N -3.05 3.63 0.54 -4.62 2.01 -1.26 -4.98 118.68 110.96 2kkl s LEU 33 Ca 0.00 1.88 -0.22 0.00 0.01 0.00 0.00 54.13 55.81 2kkl s LEU 33 Cb 0.00 -4.55 -0.05 0.00 0.01 0.00 0.00 46.19 41.60 2kkl s LEU 33 CO 0.00 -1.04 1.29 -0.90 1.01 0.00 0.00 176.35 176.71 2kkl n ASP 34 N -1.62 2.39 -3.16 2.29 5.75 -1.26 -4.98 116.55 115.96 2kkl n ASP 34 Ca 0.09 0.96 -0.22 0.00 -0.01 0.00 0.00 54.79 55.61 2kkl n ASP 34 Cb 0.53 -1.54 -0.06 0.00 -1.03 0.00 0.00 41.12 39.01 2kkl n ASP 34 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kkl n ALA 35 N -1.07 1.97 0.84 2.12 0.00 -1.26 -4.94 120.51 118.17 2kkl n ALA 35 Ca 0.11 -3.08 0.11 0.00 0.00 0.00 0.00 53.44 50.58 2kkl n ALA 35 Cb 0.44 -0.88 0.51 0.00 0.00 0.00 0.00 19.45 19.53 2kkl n ALA 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2kkl n PRO 36 N 1.69 0.06 0.00 0.00 -0.04 -1.26 -4.97 135.00 130.47 2kkl n PRO 36 Ca 0.21 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2kkl n PRO 36 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2kkl n PRO 36 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kkl n ALA 37 N -1.46 0.00 -1.50 0.55 0.00 -1.26 -4.24 120.51 112.59 2kkl n ALA 37 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2kkl n ALA 37 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 14.00 0.00 0.00 0.00 0.00 -1.26 -5.08 117.38 125.04 2kkl n GLN 38 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 57.00 56.59 2kkl n GLN 38 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 30.24 29.91 2kkl n GLN 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2kkl n ALA 39 N 0.00 0.00 -1.77 2.61 0.00 -1.26 -4.52 120.51 115.57 2kkl n ALA 39 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2kkl n ALA 39 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 2kkl n ALA 39 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2kkl s GLY 40 N 0.00 3.00 0.21 0.00 0.00 -1.26 -4.96 107.32 104.32 2kkl s GLY 40 Ca 0.00 1.22 -0.30 0.00 0.00 0.00 0.00 44.72 45.64 2kkl s GLY 40 CO 0.00 1.87 1.35 -1.59 0.00 0.00 0.00 173.10 174.72 2kkl s THR 41 N -1.12 3.04 0.00 0.90 2.01 -1.26 -4.98 115.64 114.22 2kkl s THR 41 Ca 0.48 0.86 0.00 0.00 0.31 0.00 0.00 61.69 63.35 2kkl s THR 41 Cb -0.39 -3.55 0.00 0.00 0.01 0.00 0.00 72.50 68.57 2kkl s THR 41 CO 0.51 0.13 0.00 1.21 -0.69 0.00 0.00 174.62 175.78 2kkl n GLU 42 N 2.53 0.00 0.00 4.92 2.13 -1.26 -4.99 120.64 123.96 2kkl n GLU 42 Ca 0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 2kkl n GLU 42 Cb 0.42 -0.41 0.00 0.00 0.27 0.00 0.00 31.44 31.72 2kkl n GLU 42 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2kkl n SER 43 N -0.57 0.00 -3.15 4.31 3.41 -1.26 -5.10 113.62 111.26 2kkl n SER 43 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 2kkl n SER 43 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2kkl n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kkl n ALA 44 N -0.65 -2.21 -0.08 7.33 0.00 -1.26 -4.95 120.51 118.69 2kkl n ALA 44 Ca 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.42 2kkl n ALA 44 Cb 0.00 -0.71 -0.07 0.00 0.00 0.00 0.00 19.45 18.67 2kkl n ALA 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kkl n VAL 45 N 1.10 0.90 -1.25 0.00 0.31 -1.26 -5.09 118.33 113.04 2kkl n VAL 45 Ca -0.00 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 2kkl n VAL 45 Cb 0.45 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 2kkl n VAL 45 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2kkl n SER 46 N -3.02 -1.07 0.00 4.52 2.88 -1.26 -4.95 113.62 110.72 2kkl n SER 46 Ca -0.28 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.26 2kkl n SER 46 Cb 0.79 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.25 2kkl n SER 46 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kkl n GLY 47 N 0.00 0.58 3.72 0.46 0.00 -1.26 -5.09 105.19 103.60 2kkl n GLY 47 Ca 0.00 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2kkl n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kkl s VAL 48 N 0.11 4.34 -0.05 1.61 1.01 -1.26 -4.91 120.40 121.25 2kkl s VAL 48 Ca 0.00 1.74 0.08 0.00 0.00 0.00 0.00 61.98 63.80 2kkl s VAL 48 Cb 0.00 -4.11 -0.11 0.00 0.00 0.00 0.00 36.38 32.16 2kkl s VAL 48 CO 0.00 0.17 0.09 1.21 0.00 0.00 0.00 175.10 176.57 2kkl n GLU 49 N 3.59 1.73 -2.53 2.72 4.07 -1.26 -4.77 120.64 124.19 2kkl n GLU 49 Ca 0.06 -0.03 -0.41 0.00 -0.06 0.00 0.00 57.16 56.72 2kkl n GLU 49 Cb 0.48 -1.20 -0.03 0.00 -0.06 0.00 0.00 31.44 30.63 2kkl n GLU 49 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2kkl s GLY 50 N -3.55 0.99 -0.33 8.31 0.00 -1.26 -4.74 107.32 106.73 2kkl s GLY 50 Ca -0.04 -1.68 -0.08 0.00 0.00 0.00 0.00 44.72 42.92 2kkl s GLY 50 CO 0.33 2.71 1.14 1.47 0.00 0.00 0.00 173.10 178.75 2kkl n LEU 51 N 9.40 -1.31 0.00 0.66 -0.00 -1.26 -5.10 117.00 119.39 2kkl n LEU 51 Ca 0.16 -0.85 -0.08 0.00 -0.00 0.00 0.00 56.01 55.23 2kkl n LEU 51 Cb 0.50 0.53 0.08 0.00 -0.00 0.00 0.00 43.42 44.53 2kkl n LEU 51 CO 0.69 1.14 0.09 -2.65 -0.00 0.00 0.00 177.39 176.66 2kkl n PRO 52 N 2.50 -0.80 -1.77 1.47 -0.02 -1.26 -4.42 135.00 130.70 2kkl n PRO 52 Ca 0.10 -0.38 -0.41 0.00 -2.02 0.00 0.00 63.50 60.79 2kkl n PRO 52 Cb 0.66 -0.75 0.00 0.00 -0.02 0.00 0.00 33.50 33.39 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 -1.27 2.64 0.00 0.52 -0.02 -1.26 -4.48 135.00 131.13 2kkl n PRO 53 Ca 0.04 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 2kkl n PRO 53 Cb 0.16 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 30.97 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 0.46 0.35 3.96 -1.23 0.00 -1.26 -5.11 105.19 102.36 2kkl n GLY 54 Ca 0.02 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 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 3.72 0.40 0.99 2.01 -1.26 -4.98 118.68 119.56 2kkl s LEU 55 Ca 0.00 -0.40 0.04 0.00 0.01 0.00 0.00 54.13 53.77 2kkl s LEU 55 Cb 0.00 -2.53 -0.03 0.00 0.01 0.00 0.00 46.19 43.65 2kkl s LEU 55 CO 0.00 -0.56 0.11 0.00 1.01 0.00 0.00 176.35 176.91 2kkl s ALA 56 N -2.30 2.92 0.04 4.21 0.00 -1.26 -4.87 121.76 120.50 2kkl s ALA 56 Ca 0.48 -1.29 0.05 0.00 0.00 0.00 0.00 51.96 51.20 2kkl s ALA 56 Cb -0.08 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.72 2kkl s ALA 56 CO 0.30 -0.32 -0.14 -0.51 0.00 0.00 0.00 175.76 175.10 2kkl s LEU 57 N -3.61 2.19 -0.08 0.00 1.02 -1.10 -2.74 118.68 114.36 2kkl s LEU 57 Ca 0.24 -0.48 0.03 0.00 0.02 0.00 0.00 54.13 53.94 2kkl s LEU 57 Cb 0.03 -0.56 -0.02 0.00 0.02 0.00 0.00 46.19 45.67 2kkl s LEU 57 CO 0.14 0.00 -0.18 -0.76 0.02 0.00 0.00 176.35 175.57 2kkl s LEU 58 N -1.25 2.47 -0.05 1.79 1.43 -0.55 -2.64 118.68 119.88 2kkl s LEU 58 Ca 0.00 -0.37 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 2kkl s LEU 58 Cb -0.08 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.62 2kkl s LEU 58 CO 0.01 0.24 -0.22 -0.69 0.23 0.00 0.00 176.35 175.92 2kkl s VAL 59 N -0.10 1.80 0.18 -1.59 1.01 -1.07 -0.32 120.40 120.30 2kkl s VAL 59 Ca -0.03 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 2kkl s VAL 59 Cb -0.14 -1.53 -0.09 0.00 0.00 0.00 0.00 36.38 34.62 2kkl s VAL 59 CO 0.04 0.51 1.34 -0.69 0.00 0.00 0.00 175.10 176.29 2kkl s VAL 60 N -0.06 3.19 -0.12 2.92 1.01 -1.05 -1.88 120.40 124.40 2kkl s VAL 60 Ca -0.04 0.95 0.16 0.00 0.00 0.00 0.00 61.98 63.05 2kkl s VAL 60 Cb -0.13 -3.61 -0.23 0.00 0.00 0.00 0.00 36.38 32.41 2kkl s VAL 60 CO 0.03 0.13 0.42 1.17 0.00 0.00 0.00 175.10 176.85 2kkl n LYS 61 N 2.92 0.66 -3.77 2.72 4.81 0.13 -4.23 118.16 121.41 2kkl n LYS 61 Ca 0.07 0.12 -0.13 0.00 -0.87 0.00 0.00 58.31 57.50 2kkl n LYS 61 Cb 0.42 -1.66 -0.12 0.00 0.02 0.00 0.00 35.03 33.70 2kkl n LYS 61 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2kkl s ARG 62 N -2.67 0.31 0.00 1.64 3.52 -1.09 -4.97 118.95 115.69 2kkl s ARG 62 Ca -0.07 0.42 0.00 0.00 -0.13 0.00 0.00 55.73 55.95 2kkl s ARG 62 Cb 0.08 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.58 2kkl s ARG 62 CO 0.83 -0.06 0.00 0.41 -0.81 0.00 0.00 175.30 175.67 2kkl n GLY 63 N 3.17 1.98 0.08 8.12 0.00 -1.26 -3.86 105.19 113.41 2kkl n GLY 63 Ca -0.15 -1.71 0.11 0.00 0.00 0.00 0.00 46.02 44.27 2kkl n GLY 63 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kkl n PRO 64 N -1.82 0.14 -0.66 1.61 -0.04 -1.26 -2.46 135.00 130.52 2kkl n PRO 64 Ca 0.00 0.29 0.08 0.00 -0.04 0.00 0.00 63.50 63.83 2kkl n PRO 64 Cb 0.00 -1.73 0.34 0.00 -0.04 0.00 0.00 33.50 32.07 2kkl n PRO 64 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2kkl n ASN 65 N -1.99 4.72 -4.42 3.54 3.02 -1.26 -5.00 115.26 113.87 2kkl n ASN 65 Ca 0.04 -2.56 -0.55 0.00 -0.03 0.00 0.00 54.58 51.47 2kkl n ASN 65 Cb 0.27 -0.60 -0.06 0.00 -0.61 0.00 0.00 39.78 38.78 2kkl n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kkl n ALA 66 N 0.86 -3.39 0.00 5.41 0.00 -1.03 -0.25 120.51 122.11 2kkl n ALA 66 Ca 0.24 0.55 0.00 0.00 0.00 0.00 0.00 53.44 54.23 2kkl n ALA 66 Cb 0.93 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.68 2kkl n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kkl n GLY 67 N 1.63 1.84 3.76 0.00 0.00 -1.26 -5.04 105.19 106.12 2kkl n GLY 67 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.84 5.79 0.01 1.61 0.15 0.66 -4.90 113.70 115.17 2kkl s SER 68 Ca 0.00 2.46 0.02 0.00 0.70 0.00 0.00 55.95 59.13 2kkl s SER 68 Cb 0.00 -2.61 -0.01 0.00 -1.71 0.00 0.00 66.02 61.69 2kkl s SER 68 CO 0.00 -1.19 -0.07 0.00 1.20 0.00 0.00 173.24 173.18 2kkl s ARG 69 N -2.82 0.54 -0.14 5.44 1.70 -1.26 -2.53 118.95 119.87 2kkl s ARG 69 Ca 0.67 -0.35 0.02 0.00 -0.47 0.00 0.00 55.73 55.60 2kkl s ARG 69 Cb -0.33 -0.49 0.01 0.00 -0.57 0.00 0.00 34.95 33.57 2kkl s ARG 69 CO 0.39 0.13 -0.20 -0.06 -1.08 0.00 0.00 175.30 174.47 2kkl s PHE 70 N -0.41 2.69 -0.17 5.89 0.08 0.56 -4.94 117.98 121.69 2kkl s PHE 70 Ca 0.00 -1.25 -0.08 0.00 0.12 0.00 0.00 56.93 55.73 2kkl s PHE 70 Cb -0.04 -1.83 -0.04 0.00 -0.57 0.00 0.00 43.02 40.54 2kkl s PHE 70 CO -0.00 -0.56 0.09 -1.17 -0.10 0.00 0.00 175.22 173.48 2kkl s LEU 71 N 0.79 4.03 0.43 -0.37 0.20 -1.26 -1.49 118.68 121.00 2kkl s LEU 71 Ca -0.07 0.21 -0.07 0.00 0.69 0.00 0.00 54.13 54.89 2kkl s LEU 71 Cb -0.16 -2.01 -0.05 0.00 -0.43 0.00 0.00 46.19 43.55 2kkl s LEU 71 CO -0.01 0.24 0.75 -0.76 -0.29 0.00 0.00 176.35 176.28 2kkl s LEU 72 N -0.04 3.75 -0.04 -0.68 1.43 -1.11 -4.90 118.68 117.10 2kkl s LEU 72 Ca 0.08 0.95 0.01 0.00 -1.03 0.00 0.00 54.13 54.15 2kkl s LEU 72 Cb -0.12 -3.87 0.04 0.00 0.03 0.00 0.00 46.19 42.28 2kkl s LEU 72 CO 0.00 -0.47 0.49 -0.67 0.23 0.00 0.00 176.35 175.93 2kkl n ASP 73 N -1.79 -0.37 -3.62 2.29 -0.08 -1.26 -4.74 116.55 106.98 2kkl n ASP 73 Ca 0.01 -0.89 -0.16 0.00 -1.51 0.00 0.00 54.79 52.24 2kkl n ASP 73 Cb 0.55 0.14 -0.07 0.00 2.34 0.00 0.00 41.12 44.07 2kkl n ASP 73 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 2kkl s GLN 74 N 0.01 0.87 0.23 -0.67 0.74 -1.26 -5.13 119.66 114.45 2kkl s GLN 74 Ca 0.01 0.31 -0.30 0.00 0.05 0.00 0.00 55.36 55.44 2kkl s GLN 74 Cb 0.05 0.41 -0.09 0.00 1.10 0.00 0.00 33.01 34.48 2kkl s GLN 74 CO -0.01 -0.23 1.19 0.00 -0.55 0.00 0.00 175.29 175.69 2kkl s ALA 75 N -0.80 3.44 -0.14 1.58 0.00 -1.26 -4.46 121.76 120.13 2kkl s ALA 75 Ca -0.09 0.98 -0.09 0.00 0.00 0.00 0.00 51.96 52.77 2kkl s ALA 75 Cb -0.02 -3.40 0.04 0.00 0.00 0.00 0.00 23.12 19.73 2kkl s ALA 75 CO 0.06 -0.36 0.19 -0.89 0.00 0.00 0.00 175.76 174.76 2kkl n ILE 76 N 1.99-10.16 -3.88 0.00 5.41 -1.26 -4.96 119.36 106.51 2kkl n ILE 76 Ca 0.03 2.17 -0.35 0.00 1.00 0.00 0.00 62.75 65.59 2kkl n ILE 76 Cb 0.44 -5.58 -0.11 0.00 -0.71 0.00 0.00 39.64 33.69 2kkl n ILE 76 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2kkl s THR 77 N -0.50 4.76 0.07 1.39 2.01 -0.79 -4.96 115.64 117.62 2kkl s THR 77 Ca -0.22 -0.03 -0.12 0.00 0.31 0.00 0.00 61.69 61.63 2kkl s THR 77 Cb 0.01 -3.18 -0.06 0.00 0.01 0.00 0.00 72.50 69.28 2kkl s THR 77 CO 0.58 0.40 0.44 -0.55 -0.69 0.00 0.00 174.62 174.80 2kkl s SER 78 N 0.88 6.74 0.42 3.53 0.15 -1.26 -1.08 113.70 123.08 2kkl s SER 78 Ca 0.04 0.91 0.08 0.00 0.70 0.00 0.00 55.95 57.69 2kkl s SER 78 Cb -0.14 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 2kkl s SER 78 CO 0.03 0.20 0.52 0.00 1.20 0.00 0.00 173.24 175.18 2kkl s ALA 79 N -1.32 4.40 0.00 5.45 0.00 -0.93 -4.38 121.76 124.97 2kkl s ALA 79 Ca 0.32 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.54 2kkl s ALA 79 Cb -0.15 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.52 2kkl s ALA 79 CO 0.17 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.07 2kkl n GLY 80 N -1.77 0.75 3.40 0.00 0.00 -1.26 -4.38 105.19 101.93 2kkl n GLY 80 Ca 0.07 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 2kkl n GLY 80 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kkl s ARG 81 N 0.00 2.91 -0.39 1.61 1.70 -1.25 0.22 118.95 123.74 2kkl s ARG 81 Ca 0.00 -1.03 0.06 0.00 -0.47 0.00 0.00 55.73 54.29 2kkl s ARG 81 Cb 0.00 -3.75 0.18 0.00 -0.57 0.00 0.00 34.95 30.82 2kkl s ARG 81 CO 0.00 -0.67 0.68 -1.01 -1.08 0.00 0.00 175.30 173.22 2kkl s HIS 82 N 1.58 -1.58 0.47 5.89 3.76 -1.26 -4.95 115.29 119.19 2kkl s HIS 82 Ca 0.03 0.28 -0.22 0.00 -0.15 0.00 0.00 55.06 54.99 2kkl s HIS 82 Cb -0.19 0.29 -0.09 0.00 1.11 0.00 0.00 32.58 33.70 2kkl s HIS 82 CO 0.07 -1.06 0.90 -2.30 -0.85 0.00 0.00 174.74 171.50 2kkl n PRO 83 N 4.39 1.09 0.00 8.40 -0.02 -1.26 -1.53 135.00 146.08 2kkl n PRO 83 Ca 0.10 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2kkl n PRO 83 Cb 0.58 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 2kkl n PRO 83 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2kkl n ASP 84 N 0.35 0.00 -4.78 2.55 2.03 -1.26 -4.99 116.55 110.45 2kkl n ASP 84 Ca 0.11 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.05 2kkl n ASP 84 Cb 0.42 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.80 2kkl n ASP 84 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2kkl s SER 85 N -0.75 6.33 0.18 1.67 0.15 -0.58 -4.94 113.70 115.75 2kkl s SER 85 Ca 0.00 2.17 -0.12 0.00 0.70 0.00 0.00 55.95 58.70 2kkl s SER 85 Cb 0.00 -2.59 0.08 0.00 -1.71 0.00 0.00 66.02 61.80 2kkl s SER 85 CO 0.00 -0.80 1.75 0.44 1.20 0.00 0.00 173.24 175.83 2kkl h ASP 86 N 2.06 0.80 -3.63 5.45 3.32 -1.87 -3.39 116.42 119.16 2kkl h ASP 86 Ca -0.49 -0.14 -0.68 0.00 0.02 0.00 0.00 57.03 55.73 2kkl h ASP 86 Cb 1.24 -0.21 -0.24 0.00 0.22 0.00 0.00 39.33 40.34 2kkl h ASP 86 CO 0.60 0.72 -0.57 -0.63 -1.72 0.00 0.00 179.24 177.64 2kkl s ILE 87 N -5.66 4.33 -0.34 0.35 -1.09 -1.26 -4.87 121.20 112.65 2kkl s ILE 87 Ca -0.13 -0.64 0.00 0.00 -2.23 0.00 0.00 60.65 57.66 2kkl s ILE 87 Cb 0.13 -3.27 0.11 0.00 -1.58 0.00 0.00 42.46 37.85 2kkl s ILE 87 CO 0.79 0.00 0.12 0.72 -1.23 0.00 0.00 174.94 175.34 2kkl s PHE 88 N 1.55 2.05 -0.61 3.97 -0.71 -1.26 -4.19 117.98 118.77 2kkl s PHE 88 Ca 0.03 -2.06 -0.13 0.00 -1.04 0.00 0.00 56.93 53.73 2kkl s PHE 88 Cb -0.18 -1.92 0.15 0.00 -1.21 0.00 0.00 43.02 39.87 2kkl s PHE 88 CO 0.05 -0.87 0.54 -0.51 -1.34 0.00 0.00 175.22 173.09 2kkl s LEU 89 N 1.25 6.20 -0.95 -1.99 1.43 0.58 -4.86 118.68 120.34 2kkl s LEU 89 Ca 0.12 -2.12 -0.21 0.00 -1.03 0.00 0.00 54.13 50.89 2kkl s LEU 89 Cb -0.19 -2.15 0.09 0.00 0.03 0.00 0.00 46.19 43.97 2kkl s LEU 89 CO -0.17 -0.72 1.26 1.51 0.23 0.00 0.00 176.35 178.45 2kkl s ASP 90 N 2.86 6.55 -0.00 2.29 1.47 -1.25 -3.84 116.67 124.75 2kkl s ASP 90 Ca 0.08 -1.72 -0.09 0.00 1.18 0.00 0.00 52.55 52.00 2kkl s ASP 90 Cb -0.23 -2.47 0.01 0.00 -0.34 0.00 0.00 42.92 39.88 2kkl s ASP 90 CO -0.01 -1.28 0.19 -1.81 0.68 0.00 0.00 175.17 172.93 2kkl s ASP 91 N 4.19 -0.03 0.37 2.11 1.01 -1.26 -5.03 116.67 118.02 2kkl s ASP 91 Ca 0.38 -0.13 0.09 0.00 0.71 0.00 0.00 52.55 53.59 2kkl s ASP 91 Cb -0.03 0.23 0.71 0.00 1.01 0.00 0.00 42.92 44.84 2kkl s ASP 91 CO -0.08 -0.40 1.87 1.62 0.21 0.00 0.00 175.17 178.39 2kkl h VAL 92 N 4.14 1.20 -0.15 -1.27 3.04 -2.00 -2.33 116.25 118.89 2kkl h VAL 92 Ca -0.31 -0.91 -0.08 0.00 -1.01 0.00 0.00 66.70 64.40 2kkl h VAL 92 Cb 1.19 1.27 -0.01 0.00 -2.01 0.00 0.00 31.29 31.73 2kkl h VAL 92 CO 0.40 0.28 -0.25 0.71 -1.01 0.00 0.00 177.57 177.71 2kkl h THR 93 N 0.25 1.24 -3.36 3.17 1.35 -1.97 -3.41 112.91 110.17 2kkl h THR 93 Ca 0.05 -1.12 -0.59 0.00 -0.55 0.00 0.00 66.41 64.20 2kkl h THR 93 Cb 0.45 1.40 -0.09 0.00 -1.73 0.00 0.00 68.15 68.17 2kkl h THR 93 CO 0.03 0.34 -0.18 -0.69 -0.25 0.00 0.00 175.52 174.77 2kkl s VAL 94 N -4.48 5.21 0.10 6.82 1.01 -0.88 -4.85 120.40 123.34 2kkl s VAL 94 Ca -0.05 0.81 -0.02 0.00 0.00 0.00 0.00 61.98 62.72 2kkl s VAL 94 Cb 0.14 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.79 2kkl s VAL 94 CO 0.75 0.31 0.13 -0.24 0.00 0.00 0.00 175.10 176.05 2kkl n SER 95 N 3.93 -0.18 -0.28 3.32 2.88 -1.26 -4.58 113.62 117.44 2kkl n SER 95 Ca -0.08 -0.96 -0.05 0.00 -1.33 0.00 0.00 58.87 56.44 2kkl n SER 95 Cb 0.51 -0.10 0.06 0.00 -0.75 0.00 0.00 64.21 63.94 2kkl n SER 95 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2kkl h ARG 96 N 0.00 1.06 -1.78 -1.46 3.08 -1.93 -3.34 114.38 110.01 2kkl h ARG 96 Ca -0.04 -0.13 -0.47 0.00 0.07 0.00 0.00 59.98 59.41 2kkl h ARG 96 Cb 0.12 -0.21 -0.37 0.00 0.08 0.00 0.00 29.97 29.59 2kkl h ARG 96 CO 0.03 0.79 -1.10 0.54 -1.07 0.00 0.00 179.97 179.16 2kkl n ARG 97 N -4.44 0.91 -0.29 0.04 1.74 -1.26 -3.98 116.66 109.37 2kkl n ARG 97 Ca 0.07 -3.18 -0.05 0.00 -0.77 0.00 0.00 57.85 53.92 2kkl n ARG 97 Cb 0.10 -1.54 0.07 0.00 -1.02 0.00 0.00 32.46 30.06 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 3.24 1.14 -3.98 -1.55 2.76 -1.79 -3.43 115.15 111.55 2kkl h HIS 98 Ca 0.07 -0.05 -0.16 0.00 -2.20 0.00 0.00 60.37 58.02 2kkl h HIS 98 Cb 0.96 -0.35 -0.20 0.00 1.55 0.00 0.00 27.41 29.37 2kkl h HIS 98 CO 0.42 0.83 -0.68 0.00 -1.30 0.00 0.00 177.93 177.19 2kkl s ALA 99 N -5.72 0.13 -0.02 5.26 0.00 -1.26 -4.23 121.76 115.93 2kkl s ALA 99 Ca -0.13 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 2kkl s ALA 99 Cb 0.15 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.45 2kkl s ALA 99 CO 0.82 -0.19 0.04 -2.00 0.00 0.00 0.00 175.76 174.43 2kkl s GLU 100 N -1.72 0.02 0.01 0.00 2.12 -0.99 -2.19 118.70 115.96 2kkl s GLU 100 Ca -0.13 0.11 -0.03 0.00 0.36 0.00 0.00 54.97 55.27 2kkl s GLU 100 Cb -0.08 -0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.20 2kkl s GLU 100 CO -0.02 -0.06 0.21 -0.06 -0.54 0.00 0.00 175.26 174.79 2kkl s PHE 101 N 0.39 3.55 -0.05 5.30 0.08 -0.24 -1.06 117.98 125.95 2kkl s PHE 101 Ca -0.03 0.38 0.02 0.00 0.12 0.00 0.00 56.93 57.42 2kkl s PHE 101 Cb -0.04 -1.85 0.01 0.00 -0.57 0.00 0.00 43.02 40.57 2kkl s PHE 101 CO -0.01 0.62 -0.10 0.50 -0.10 0.00 0.00 175.22 176.13 2kkl s ARG 102 N -2.03 1.31 -0.24 0.44 3.52 -0.25 -1.88 118.95 119.82 2kkl s ARG 102 Ca 0.29 -0.32 -0.09 0.00 -0.13 0.00 0.00 55.73 55.48 2kkl s ARG 102 Cb -0.13 -1.15 -0.04 0.00 -1.56 0.00 0.00 34.95 32.07 2kkl s ARG 102 CO 0.20 0.04 0.11 -1.17 -0.81 0.00 0.00 175.30 173.67 2kkl s LEU 103 N 0.56 3.80 0.00 -0.88 2.96 -1.26 -1.55 118.68 122.30 2kkl s LEU 103 Ca -0.10 -0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.78 2kkl s LEU 103 Cb -0.13 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.54 2kkl s LEU 103 CO 0.02 0.03 0.00 1.21 -1.32 0.00 0.00 176.35 176.29 2kkl n GLU 104 N 4.48 0.68 -0.14 1.98 2.13 -1.05 -4.82 120.64 123.90 2kkl n GLU 104 Ca -0.16 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.57 2kkl n GLU 104 Cb 0.52 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.22 2kkl n GLU 104 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 2kkl h ASN 105 N 0.00 0.62 0.00 4.31 2.35 -2.03 -3.41 115.58 117.42 2kkl h ASN 105 Ca 0.00 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.50 2kkl h ASN 105 Cb 0.00 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 2kkl h ASN 105 CO 0.00 0.68 -0.06 0.59 -1.65 0.00 0.00 177.43 176.99 2kkl n ASN 106 N -4.56 -0.21 -4.08 5.81 5.03 -1.26 -5.12 115.26 110.87 2kkl n ASN 106 Ca -0.00 -0.72 -0.26 0.00 0.87 0.00 0.00 54.58 54.47 2kkl n ASN 106 Cb 0.20 0.06 -0.16 0.00 -1.02 0.00 0.00 39.78 38.85 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 0.00 1.91 0.37 3.52 2.02 -1.26 -4.92 118.70 120.34 2kkl s GLU 107 Ca 0.00 -0.53 -0.24 0.00 0.02 0.00 0.00 54.97 54.22 2kkl s GLU 107 Cb 0.00 -1.57 -0.10 0.00 0.10 0.00 0.00 34.13 32.56 2kkl s GLU 107 CO 0.00 0.11 0.97 -0.06 0.02 0.00 0.00 175.26 176.30 2kkl s PHE 108 N 0.44 3.48 0.07 1.61 0.08 -1.26 -2.53 117.98 119.87 2kkl s PHE 108 Ca -0.12 1.70 -0.06 0.00 0.12 0.00 0.00 56.93 58.57 2kkl s PHE 108 Cb -0.15 -2.95 -0.01 0.00 -0.57 0.00 0.00 43.02 39.34 2kkl s PHE 108 CO 0.04 -0.07 0.12 -0.80 -0.10 0.00 0.00 175.22 174.41 2kkl s ASN 109 N -1.78 0.23 -0.06 1.36 0.01 -0.60 -2.29 114.94 111.82 2kkl s ASN 109 Ca 0.55 -0.74 0.03 0.00 -0.71 0.00 0.00 52.86 52.00 2kkl s ASN 109 Cb -0.16 0.29 0.01 0.00 0.41 0.00 0.00 41.25 41.79 2kkl s ASN 109 CO 0.21 -0.67 -0.15 0.54 -1.51 0.00 0.00 177.10 175.53 2kkl s VAL 110 N -3.73 1.33 -0.05 1.60 0.11 -0.94 -1.08 120.40 117.64 2kkl s VAL 110 Ca 0.04 -0.62 0.03 0.00 -2.93 0.00 0.00 61.98 58.51 2kkl s VAL 110 Cb 0.05 -1.18 0.00 0.00 -1.53 0.00 0.00 36.38 33.73 2kkl s VAL 110 CO -0.10 0.39 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.22 2kkl s VAL 111 N 0.40 1.32 -0.36 2.04 1.01 -0.22 -2.62 120.40 121.97 2kkl s VAL 111 Ca -0.11 -0.63 -0.16 0.00 0.00 0.00 0.00 61.98 61.08 2kkl s VAL 111 Cb -0.14 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.08 2kkl s VAL 111 CO 0.04 0.39 0.40 -0.62 0.00 0.00 0.00 175.10 175.31 2kkl s ASP 112 N 0.26 6.20 0.03 3.32 2.15 -0.92 -2.34 116.67 125.37 2kkl s ASP 112 Ca -0.08 -0.30 -0.30 0.00 0.43 0.00 0.00 52.55 52.30 2kkl s ASP 112 Cb -0.13 -2.21 -0.04 0.00 -0.30 0.00 0.00 42.92 40.24 2kkl s ASP 112 CO 0.03 -0.41 1.06 0.68 -0.17 0.00 0.00 175.17 176.36 2kkl s VAL 113 N 2.10 4.52 0.00 1.11 -7.23 -1.26 -4.84 120.40 114.81 2kkl s VAL 113 Ca 0.13 1.83 0.00 0.00 -1.81 0.00 0.00 61.98 62.12 2kkl s VAL 113 Cb -0.16 -4.17 0.00 0.00 0.56 0.00 0.00 36.38 32.61 2kkl s VAL 113 CO 0.12 0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.67 2kkl n GLY 114 N 2.97 -0.34 0.00 2.32 0.00 -1.26 -4.97 105.19 103.92 2kkl n GLY 114 Ca 0.07 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.42 2kkl n GLY 114 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kkl n SER 115 N -1.09 0.00 -0.75 1.61 3.41 -1.26 -5.00 113.62 110.54 2kkl n SER 115 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2kkl n SER 115 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2kkl n SER 115 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2kkl n LEU 116 N 0.00 0.00 -4.76 1.04 4.77 -1.26 -4.70 117.00 112.09 2kkl n LEU 116 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.60 2kkl n LEU 116 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2kkl n LEU 116 CO 0.00 -1.18 0.89 0.21 -1.33 0.00 0.00 177.39 175.98 2kkl s ASN 117 N -4.00 5.96 0.00 -1.43 3.84 -1.26 -4.96 114.94 113.09 2kkl s ASN 117 Ca 0.00 2.48 0.00 0.00 0.21 0.00 0.00 52.86 55.55 2kkl s ASN 117 Cb 0.00 -2.62 0.00 0.00 -0.55 0.00 0.00 41.25 38.08 2kkl s ASN 117 CO 0.00 -1.07 0.00 0.61 -2.79 0.00 0.00 177.10 173.85 2kkl n GLY 118 N 0.56 2.14 3.77 1.21 0.00 -1.26 -5.13 105.19 106.47 2kkl n GLY 118 Ca 0.07 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.53 2.04 0.07 2.61 2.01 -1.26 -4.98 115.64 115.60 2kkl s THR 119 Ca 0.00 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.05 2kkl s THR 119 Cb 0.00 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 2kkl s THR 119 CO 0.00 0.01 -0.05 -0.72 -0.69 0.00 0.00 174.62 173.17 2kkl s TYR 120 N -0.58 0.68 -0.11 4.92 -0.85 -1.26 -3.96 117.35 116.19 2kkl s TYR 120 Ca 0.58 -0.87 0.02 0.00 -0.52 0.00 0.00 57.07 56.28 2kkl s TYR 120 Cb -0.47 -0.43 -0.00 0.00 0.38 0.00 0.00 41.96 41.43 2kkl s TYR 120 CO 0.56 -0.22 -0.20 0.54 -1.52 0.00 0.00 175.55 174.71 2kkl s VAL 121 N -3.22 2.42 -1.34 -3.49 0.11 -0.99 -4.56 120.40 109.33 2kkl s VAL 121 Ca 0.05 -0.89 -0.01 0.00 -2.93 0.00 0.00 61.98 58.20 2kkl s VAL 121 Cb 0.03 -1.96 0.00 0.00 -1.53 0.00 0.00 36.38 32.92 2kkl s VAL 121 CO -0.05 0.55 0.65 0.59 -3.33 0.00 0.00 175.10 173.50 2kkl n ASN 122 N 3.57 -1.10 -2.03 3.54 5.03 -1.26 -0.18 115.26 122.83 2kkl n ASN 122 Ca -0.19 -0.86 -0.13 0.00 0.87 0.00 0.00 54.58 54.27 2kkl n ASN 122 Cb 0.53 -3.83 -0.02 0.00 -1.02 0.00 0.00 39.78 35.44 2kkl n ASN 122 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2kkl n ARG 123 N -4.32 -1.84 -3.93 3.52 1.74 -1.26 -4.91 116.66 105.66 2kkl n ARG 123 Ca -0.29 0.68 -0.31 0.00 -0.77 0.00 0.00 57.85 57.16 2kkl n ARG 123 Cb 0.67 -5.14 -0.15 0.00 -1.02 0.00 0.00 32.46 26.82 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 -4.29 1.30 -0.03 5.56 2.12 0.75 -5.09 118.70 119.02 2kkl s GLU 124 Ca 0.00 -1.55 -0.38 0.00 0.36 0.00 0.00 54.97 53.40 2kkl s GLU 124 Cb 0.00 -2.79 -0.17 0.00 0.26 0.00 0.00 34.13 31.44 2kkl s GLU 124 CO 0.00 -0.91 1.45 -2.30 -0.54 0.00 0.00 175.26 172.96 2kkl n PRO 125 N 4.47 1.11 -3.81 4.30 -0.02 -1.26 -2.36 135.00 137.43 2kkl n PRO 125 Ca 0.00 0.40 -0.13 0.00 -2.02 0.00 0.00 63.50 61.76 2kkl n PRO 125 Cb 0.42 -2.05 -0.13 0.00 -0.02 0.00 0.00 33.50 31.72 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 1.39 -0.01 0.18 -1.45 0.11 -1.25 -4.89 120.40 114.47 2kkl s VAL 126 Ca 0.89 0.02 -0.10 0.00 -2.93 0.00 0.00 61.98 59.87 2kkl s VAL 126 Cb -1.00 -0.23 0.05 0.00 -1.53 0.00 0.00 36.38 33.67 2kkl s VAL 126 CO 0.53 0.01 1.62 -0.78 -3.33 0.00 0.00 175.10 173.15 2kkl h ASP 127 N 6.07 1.04 -5.01 3.54 1.82 -1.93 -3.44 116.42 118.51 2kkl h ASP 127 Ca -0.27 -0.32 -0.06 0.00 -0.39 0.00 0.00 57.03 55.99 2kkl h ASP 127 Cb 1.19 -0.28 -0.16 0.00 0.68 0.00 0.00 39.33 40.76 2kkl h ASP 127 CO 0.41 1.11 0.06 -0.94 -1.61 0.00 0.00 179.24 178.27 2kkl s SER 128 N -6.58 -0.47 0.10 2.28 1.04 -1.26 -2.16 113.70 106.64 2kkl s SER 128 Ca -0.12 0.24 -0.25 0.00 0.48 0.00 0.00 55.95 56.30 2kkl s SER 128 Cb 0.13 0.50 0.07 0.00 0.10 0.00 0.00 66.02 66.82 2kkl s SER 128 CO 0.86 -0.71 0.63 0.00 0.98 0.00 0.00 173.24 175.00 2kkl s ALA 129 N -2.32 -1.65 -0.14 5.32 0.00 -1.08 -5.04 121.76 116.85 2kkl s ALA 129 Ca -0.06 0.74 -0.18 0.00 0.00 0.00 0.00 51.96 52.45 2kkl s ALA 129 Cb -0.01 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 2kkl s ALA 129 CO -0.01 -0.65 0.50 0.08 0.00 0.00 0.00 175.76 175.68 2kkl s VAL 130 N -3.01 5.16 0.51 0.00 1.01 -1.26 -2.21 120.40 120.60 2kkl s VAL 130 Ca -0.02 0.97 -0.18 0.00 0.00 0.00 0.00 61.98 62.74 2kkl s VAL 130 Cb -0.01 -3.83 -0.07 0.00 0.00 0.00 0.00 36.38 32.47 2kkl s VAL 130 CO -0.06 0.28 1.02 -0.76 0.00 0.00 0.00 175.10 175.57 2kkl s LEU 131 N 0.96 3.71 0.05 3.92 1.43 -0.97 -4.98 118.68 122.81 2kkl s LEU 131 Ca 0.26 1.78 -0.13 0.00 -1.03 0.00 0.00 54.13 55.01 2kkl s LEU 131 Cb -0.15 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.55 2kkl s LEU 131 CO 0.10 -0.78 0.28 0.00 0.23 0.00 0.00 176.35 176.19 2kkl s ALA 132 N -2.29 -0.60 0.17 4.21 0.00 -1.26 -4.68 121.76 117.31 2kkl s ALA 132 Ca 0.64 -0.10 -0.33 0.00 0.00 0.00 0.00 51.96 52.16 2kkl s ALA 132 Cb -0.14 0.36 -0.15 0.00 0.00 0.00 0.00 23.12 23.19 2kkl s ALA 132 CO 0.26 -0.43 1.37 0.27 0.00 0.00 0.00 175.76 177.23 2kkl n ASN 133 N 0.48 2.21 0.00 0.00 6.94 -1.26 -1.13 115.26 122.50 2kkl n ASN 133 Ca -0.18 1.12 0.00 0.00 -0.02 0.00 0.00 54.58 55.50 2kkl n ASN 133 Cb 0.60 -1.32 0.00 0.00 -2.36 0.00 0.00 39.78 36.70 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 2.48 0.47 3.83 4.83 0.00 -0.97 -5.02 105.19 110.81 2kkl n GLY 134 Ca 0.15 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.72 6.87 -0.20 1.61 1.11 -0.28 -4.94 116.67 118.12 2kkl s ASP 135 Ca 0.00 1.45 -0.05 0.00 0.18 0.00 0.00 52.55 54.13 2kkl s ASP 135 Cb 0.00 -2.44 -0.02 0.00 1.07 0.00 0.00 42.92 41.53 2kkl s ASP 135 CO 0.00 -0.24 -0.00 -1.61 1.18 0.00 0.00 175.17 174.50 2kkl s GLU 136 N -2.94 3.59 -0.06 8.23 8.01 -1.26 -1.51 118.70 132.75 2kkl s GLU 136 Ca 0.56 -0.53 0.04 0.00 0.01 0.00 0.00 54.97 55.04 2kkl s GLU 136 Cb -0.11 -3.08 0.00 0.00 -4.31 0.00 0.00 34.13 26.64 2kkl s GLU 136 CO 0.16 -0.02 -0.18 0.08 0.01 0.00 0.00 175.26 175.32 2kkl s VAL 137 N 1.08 1.51 -0.12 2.63 1.01 0.29 -4.44 120.40 122.36 2kkl s VAL 137 Ca 0.02 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.29 2kkl s VAL 137 Cb -0.14 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 34.93 2kkl s VAL 137 CO 0.01 0.44 -0.18 -1.58 0.00 0.00 0.00 175.10 173.79 2kkl s GLN 138 N 0.30 2.50 -0.16 2.72 0.74 -1.26 0.21 119.66 124.71 2kkl s GLN 138 Ca -0.11 -0.66 -0.03 0.00 0.05 0.00 0.00 55.36 54.61 2kkl s GLN 138 Cb -0.15 -2.08 -0.02 0.00 1.10 0.00 0.00 33.01 31.86 2kkl s GLN 138 CO 0.04 -0.05 -0.07 0.42 -0.55 0.00 0.00 175.29 175.09 2kkl s ILE 139 N 0.93 3.50 0.00 -2.34 -1.09 -0.22 -4.64 121.20 117.34 2kkl s ILE 139 Ca -0.07 -0.49 0.00 0.00 -2.23 0.00 0.00 60.65 57.87 2kkl s ILE 139 Cb -0.15 -2.53 0.00 0.00 -1.58 0.00 0.00 42.46 38.20 2kkl s ILE 139 CO -0.02 0.48 0.00 0.61 -1.23 0.00 0.00 174.94 174.79 2kkl n GLY 140 N 3.84 0.28 0.00 6.18 0.00 -1.26 -0.43 105.19 113.79 2kkl n GLY 140 Ca -0.18 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2kkl n GLY 140 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kkl n LYS 141 N 0.00 3.06 -2.62 1.61 2.85 -1.26 -5.06 118.16 116.74 2kkl n LYS 141 Ca 0.00 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.88 2kkl n LYS 141 Cb 0.00 -0.68 -0.05 0.00 -0.65 0.00 0.00 35.03 33.65 2kkl n LYS 141 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2kkl s PHE 142 N -0.93 3.60 -0.15 5.58 0.08 0.42 -5.04 117.98 121.55 2kkl s PHE 142 Ca 0.00 1.75 -0.05 0.00 0.12 0.00 0.00 56.93 58.75 2kkl s PHE 142 Cb 0.00 -3.10 -0.04 0.00 -0.57 0.00 0.00 43.02 39.32 2kkl s PHE 142 CO 0.00 -0.19 0.03 1.03 -0.10 0.00 0.00 175.22 175.98 2kkl s ARG 143 N -1.82 3.67 0.08 0.44 0.52 -1.25 -1.06 118.95 119.54 2kkl s ARG 143 Ca 0.49 -0.39 0.03 0.00 -0.52 0.00 0.00 55.73 55.33 2kkl s ARG 143 Cb -0.25 -3.04 -0.03 0.00 0.52 0.00 0.00 34.95 32.14 2kkl s ARG 143 CO 0.32 0.38 -0.09 -0.51 0.02 0.00 0.00 175.30 175.42 2kkl s LEU 144 N 0.04 2.40 -0.05 2.53 1.02 0.13 0.22 118.68 124.97 2kkl s LEU 144 Ca 0.04 -0.80 0.04 0.00 0.02 0.00 0.00 54.13 53.42 2kkl s LEU 144 Cb -0.13 -0.20 -0.00 0.00 0.02 0.00 0.00 46.19 45.88 2kkl s LEU 144 CO 0.01 -0.31 -0.16 0.54 0.02 0.00 0.00 176.35 176.45 2kkl s VAL 145 N -2.52 1.39 -0.26 -1.59 0.11 -0.79 -0.55 120.40 116.19 2kkl s VAL 145 Ca 0.03 -0.68 -0.16 0.00 -2.93 0.00 0.00 61.98 58.24 2kkl s VAL 145 Cb -0.02 -1.20 -0.03 0.00 -1.53 0.00 0.00 36.38 33.59 2kkl s VAL 145 CO -0.01 0.40 0.44 0.12 -3.33 0.00 0.00 175.10 172.72 2kkl s PHE 146 N 0.14 3.27 0.08 1.54 2.19 -0.57 -2.61 117.98 122.02 2kkl s PHE 146 Ca -0.06 0.53 0.04 0.00 0.33 0.00 0.00 56.93 57.77 2kkl s PHE 146 Cb -0.12 -2.63 -0.03 0.00 -1.31 0.00 0.00 43.02 38.93 2kkl s PHE 146 CO 0.03 -0.22 -0.11 -0.51 1.83 0.00 0.00 175.22 176.24 2kkl s LEU 147 N 2.06 2.34 0.13 6.12 1.43 -1.08 -2.30 118.68 127.38 2kkl s LEU 147 Ca 0.18 -0.71 -0.04 0.00 -1.03 0.00 0.00 54.13 52.53 2kkl s LEU 147 Cb -0.16 -0.35 -0.03 0.00 0.03 0.00 0.00 46.19 45.69 2kkl s LEU 147 CO 0.09 -0.19 0.12 0.28 0.23 0.00 0.00 176.35 176.88 2kkl s THR 148 N -1.91 0.11 0.01 5.49 -1.32 -1.26 -2.71 115.64 114.04 2kkl s THR 148 Ca 0.01 -1.70 -0.05 0.00 -1.21 0.00 0.00 61.69 58.74 2kkl s THR 148 Cb -0.06 -1.89 -0.03 0.00 -1.51 0.00 0.00 72.50 69.02 2kkl s THR 148 CO 0.01 -0.49 0.98 1.23 -2.21 0.00 0.00 174.62 174.14 2kkl h GLY 149 N 2.80 -0.18 -3.86 6.08 0.00 -1.86 -3.48 103.07 102.57 2kkl h GLY 149 Ca -0.34 0.06 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 2kkl h GLY 149 CO 0.57 -0.06 0.17 0.30 0.00 0.00 0.00 176.54 177.51 2kkl s HIS 150 N -3.19 -0.61 -0.08 5.60 3.76 -1.26 -5.11 115.29 114.41 2kkl s HIS 150 Ca -0.02 0.95 -0.05 0.00 -0.15 0.00 0.00 55.06 55.78 2kkl s HIS 150 Cb 0.00 0.41 -0.04 0.00 1.11 0.00 0.00 32.58 34.07 2kkl s HIS 150 CO 0.07 -0.64 0.15 0.15 -0.85 0.00 0.00 174.74 173.63 2kkl s LYS 151 N -1.62 3.43 -0.16 1.40 1.02 -1.26 -4.73 119.74 117.82 2kkl s LYS 151 Ca -0.09 -0.21 0.01 0.00 0.02 0.00 0.00 55.97 55.70 2kkl s LYS 151 Cb -0.00 -3.15 -0.10 0.00 -0.52 0.00 0.00 37.83 34.06 2kkl s LYS 151 CO 0.06 0.74 -0.15 0.94 -0.92 0.00 0.00 175.35 176.02 2kkl n GLN 152 N 1.60 0.40 0.00 1.68 7.27 -1.26 -5.01 117.38 122.06 2kkl n GLN 152 Ca -0.17 0.10 0.00 0.00 0.07 0.00 0.00 57.00 57.00 2kkl n GLN 152 Cb 0.54 -1.31 0.00 0.00 2.41 0.00 0.00 30.24 31.88 2kkl n GLN 152 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kkl n GLY 153 N 2.68 2.13 3.77 1.69 0.00 -1.26 -4.90 105.19 109.30 2kkl n GLY 153 Ca -0.29 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 2kkl n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kkl s GLU 154 N 0.00 4.05 0.55 1.61 8.01 -1.26 -5.00 118.70 126.67 2kkl s GLU 154 Ca 0.00 1.75 -0.19 0.00 0.01 0.00 0.00 54.97 56.54 2kkl s GLU 154 Cb 0.00 -2.62 -0.05 0.00 -4.31 0.00 0.00 34.13 27.15 2kkl s GLU 154 CO 0.00 -0.30 1.15 0.16 0.01 0.00 0.00 175.26 176.28 2kkl s ASP 155 N -1.27 5.60 0.08 -0.19 -4.77 -1.26 -4.95 116.67 109.90 2kkl s ASP 155 Ca 0.58 2.23 -0.31 0.00 -3.30 0.00 0.00 52.55 51.75 2kkl s ASP 155 Cb -0.28 -2.59 -0.07 0.00 -1.09 0.00 0.00 42.92 38.89 2kkl s ASP 155 CO 0.35 -1.30 1.33 -1.48 0.70 0.00 0.00 175.17 174.77 2kkl s LEU 156 N -3.86 4.36 0.23 2.11 2.34 -1.26 -4.98 118.68 117.61 2kkl s LEU 156 Ca 0.74 2.18 -0.30 0.00 0.06 0.00 0.00 54.13 56.82 2kkl s LEU 156 Cb -0.25 -3.58 -0.09 0.00 -0.56 0.00 0.00 46.19 41.71 2kkl s LEU 156 CO 0.28 -0.61 1.09 -1.83 -1.06 0.00 0.00 176.35 174.22 2kkl s GLU 157 N 1.33 4.63 0.21 1.48 1.03 -1.26 -4.94 118.70 121.18 2kkl s GLU 157 Ca 0.62 1.74 -0.05 0.00 0.03 0.00 0.00 54.97 57.31 2kkl s GLU 157 Cb -0.33 -3.24 0.17 0.00 -0.80 0.00 0.00 34.13 29.93 2kkl s GLU 157 CO 0.29 0.17 1.64 0.45 -1.33 0.00 0.00 175.26 176.48 2kkl h HIS 158 N 4.49 0.95 -3.43 4.83 3.86 -2.06 -3.44 115.15 120.34 2kkl h HIS 158 Ca -0.45 -0.20 -0.42 0.00 -1.16 0.00 0.00 60.37 58.14 2kkl h HIS 158 Cb 1.21 -0.23 0.19 0.00 1.06 0.00 0.00 27.41 29.64 2kkl h HIS 158 CO 0.61 0.94 0.06 -1.01 0.86 0.00 0.00 177.93 179.39 2kkl s HIS 159 N -4.73 0.87 0.14 2.45 3.76 -1.26 -5.07 115.29 111.44 2kkl s HIS 159 Ca -0.10 0.79 -0.08 0.00 -0.15 0.00 0.00 55.06 55.52 2kkl s HIS 159 Cb 0.13 -3.20 -0.01 0.00 1.11 0.00 0.00 32.58 30.61 2kkl s HIS 159 CO 0.84 -3.89 0.23 -3.38 -0.85 0.00 0.00 174.74 167.69 2kkl s HIS 160 N -2.71 0.37 -0.16 1.40 -3.43 -1.26 -5.15 115.29 104.34 2kkl s HIS 160 Ca 0.68 -0.76 -0.05 0.00 -0.80 0.00 0.00 55.06 54.14 2kkl s HIS 160 Cb -0.16 -0.10 -0.03 0.00 -1.43 0.00 0.00 32.58 30.85 2kkl s HIS 160 CO 0.59 -0.64 -0.00 -1.01 -2.00 0.00 0.00 174.74 171.68 2kkl s HIS 161 N -3.94 3.11 0.33 0.38 3.76 -1.26 -5.10 115.29 112.57 2kkl s HIS 161 Ca 0.14 -0.13 -0.16 0.00 -0.15 0.00 0.00 55.06 54.77 2kkl s HIS 161 Cb 0.04 -1.98 -0.09 0.00 1.11 0.00 0.00 32.58 31.66 2kkl s HIS 161 CO -0.03 0.08 0.75 -3.38 -0.85 0.00 0.00 174.74 171.31 2kkl s HIS 162 N 0.23 3.37 0.00 1.40 -3.43 -1.26 -5.34 115.29 110.26 2kkl s HIS 162 Ca -0.00 1.25 0.00 0.00 -0.80 0.00 0.00 55.06 55.51 2kkl s HIS 162 Cb -0.13 -2.56 0.00 0.00 -1.43 0.00 0.00 32.58 28.45 2kkl s HIS 162 CO 0.02 0.08 0.00 1.58 -2.00 0.00 0.00 174.74 174.42