#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckp n GLU 2 N 0.00 0.74 -0.04 2.12 0.00 -1.26 -1.70 120.64 120.51 1ckp n GLU 2 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.28 1ckp n GLU 2 Cb 0.00 -1.22 0.51 0.00 0.00 0.00 0.00 31.44 30.73 1ckp n GLU 2 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1ckp n ASN 3 N -0.72 1.20 -4.27 -1.84 4.13 -1.26 -4.86 115.26 107.65 1ckp n ASN 3 Ca 0.08 -1.53 -0.29 0.00 1.68 0.00 0.00 54.58 54.53 1ckp n ASN 3 Cb 0.04 -0.05 -0.15 0.00 -1.54 0.00 0.00 39.78 38.08 1ckp n ASN 3 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1ckp s PHE 4 N -1.91 2.07 -0.36 3.10 0.08 -0.69 -0.68 117.98 119.59 1ckp s PHE 4 Ca 0.35 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 56.99 1ckp s PHE 4 Cb 0.18 -1.30 0.09 0.00 -0.57 0.00 0.00 43.02 41.42 1ckp s PHE 4 CO 0.29 0.01 0.12 -1.14 -0.10 0.00 0.00 175.22 174.40 1ckp s GLN 5 N -0.75 2.11 -0.17 0.44 2.00 -0.25 -4.89 119.66 118.15 1ckp s GLN 5 Ca 0.09 -1.62 -0.28 0.00 -2.00 0.00 0.00 55.36 51.54 1ckp s GLN 5 Cb -0.09 -3.41 -0.06 0.00 0.80 0.00 0.00 33.01 30.26 1ckp s GLN 5 CO -0.00 -0.90 2.13 0.15 -0.50 0.00 0.00 175.29 176.17 1ckp s LYS 6 N 1.16 3.36 0.06 1.67 1.02 -1.26 -1.53 119.74 124.22 1ckp s LYS 6 Ca 0.04 2.11 -0.15 0.00 0.02 0.00 0.00 55.97 57.98 1ckp s LYS 6 Cb -0.21 -4.31 -0.26 0.00 -0.52 0.00 0.00 37.83 32.53 1ckp s LYS 6 CO -0.03 -1.84 1.14 0.28 -0.92 0.00 0.00 175.35 173.98 1ckp h VAL 7 N 6.79 1.29 0.00 3.17 2.07 -0.22 -3.48 116.25 125.87 1ckp h VAL 7 Ca -0.42 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 64.78 1ckp h VAL 7 Cb 1.23 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 1ckp h VAL 7 CO 0.96 0.71 0.00 -1.84 0.02 0.00 0.00 177.57 177.42 1ckp n GLU 8 N -3.86 0.00 -2.90 1.57 0.28 -1.03 -4.97 120.64 109.73 1ckp n GLU 8 Ca -0.12 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.46 1ckp n GLU 8 Cb 0.91 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.74 1ckp n GLU 8 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1ckp s LYS 9 N -2.00 4.21 -0.08 3.44 2.20 -1.26 0.55 119.74 126.80 1ckp s LYS 9 Ca 0.00 0.94 -0.22 0.00 -0.36 0.00 0.00 55.97 56.33 1ckp s LYS 9 Cb 0.00 -3.63 -0.18 0.00 -1.51 0.00 0.00 37.83 32.51 1ckp s LYS 9 CO 0.00 -0.47 0.83 0.82 -0.36 0.00 0.00 175.35 176.17 1ckp h ILE 10 N 5.37 1.16 0.00 5.43 1.08 -1.08 -3.47 117.51 126.00 1ckp h ILE 10 Ca -0.25 -1.50 0.00 0.00 -0.39 0.00 0.00 64.86 62.73 1ckp h ILE 10 Cb 1.10 2.03 0.00 0.00 -3.07 0.00 0.00 36.82 36.88 1ckp h ILE 10 CO 0.86 0.33 0.00 0.61 -0.69 0.00 0.00 178.15 179.26 1ckp n GLY 11 N 0.95 -1.18 3.60 5.37 0.00 -1.10 -5.02 105.19 107.81 1ckp n GLY 11 Ca -0.08 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 1ckp n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ckp s GLU 12 N -1.33 3.93 0.76 1.61 0.41 -1.26 -0.41 118.70 122.42 1ckp s GLU 12 Ca 0.00 0.23 -0.05 0.00 -0.41 0.00 0.00 54.97 54.74 1ckp s GLU 12 Cb 0.00 -3.71 0.16 0.00 -1.78 0.00 0.00 34.13 28.80 1ckp s GLU 12 CO 0.00 -0.48 1.05 0.41 -0.49 0.00 0.00 175.26 175.75 1ckp n GLY 13 N 4.48 0.02 0.22 -1.39 0.00 0.31 -4.94 105.19 103.90 1ckp n GLY 13 Ca -0.03 -1.93 -0.04 0.00 0.00 0.00 0.00 46.02 44.02 1ckp n GLY 13 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ckp h THR 14 N -0.93 1.29 -0.35 2.61 1.35 -2.00 -3.21 112.91 111.67 1ckp h THR 14 Ca -0.34 -1.41 0.00 0.00 -0.55 0.00 0.00 66.41 64.11 1ckp h THR 14 Cb 1.15 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1ckp h THR 14 CO 0.32 0.44 0.00 -1.22 -0.25 0.00 0.00 175.52 174.81 1ckp n TYR 15 N -4.07 0.80 -0.55 4.73 4.01 -1.26 -5.07 117.16 115.75 1ckp n TYR 15 Ca -0.01 -0.68 0.00 0.00 -0.16 0.00 0.00 57.90 57.05 1ckp n TYR 15 Cb 0.45 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 1ckp n TYR 15 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ckp n GLY 16 N 0.15 -0.36 3.78 2.72 0.00 -1.21 -4.14 105.19 106.12 1ckp n GLY 16 Ca 0.18 -1.68 -0.37 0.00 0.00 0.00 0.00 46.02 44.15 1ckp n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ckp s VAL 17 N -1.74 4.12 -0.16 1.61 0.11 -1.22 0.11 120.40 123.24 1ckp s VAL 17 Ca 0.00 1.73 -0.00 0.00 -2.93 0.00 0.00 61.98 60.77 1ckp s VAL 17 Cb 0.00 -3.94 -0.00 0.00 -1.53 0.00 0.00 36.38 30.91 1ckp s VAL 17 CO 0.00 0.11 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.05 1ckp s VAL 18 N -1.64 2.78 0.07 2.04 1.01 0.45 -1.31 120.40 123.81 1ckp s VAL 18 Ca 0.52 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.85 1ckp s VAL 18 Cb -0.19 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1ckp s VAL 18 CO 0.24 0.51 -0.19 -0.31 0.00 0.00 0.00 175.10 175.35 1ckp s TYR 19 N 0.84 2.52 -0.10 5.22 2.02 0.69 -0.43 117.35 128.11 1ckp s TYR 19 Ca -0.04 -0.28 -0.23 0.00 -0.37 0.00 0.00 57.07 56.15 1ckp s TYR 19 Cb -0.15 -1.42 -0.03 0.00 -0.40 0.00 0.00 41.96 39.96 1ckp s TYR 19 CO -0.00 0.28 0.68 0.21 -1.57 0.00 0.00 175.55 175.15 1ckp s LYS 20 N -1.63 4.38 0.23 -0.62 2.20 0.19 0.01 119.74 124.50 1ckp s LYS 20 Ca 0.15 0.82 0.04 0.00 -0.36 0.00 0.00 55.97 56.62 1ckp s LYS 20 Cb -0.10 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.68 1ckp s LYS 20 CO 0.06 -0.02 -0.02 0.00 -0.36 0.00 0.00 175.35 175.01 1ckp s ALA 21 N 1.10 1.86 -0.10 3.13 0.00 0.41 0.55 121.76 128.71 1ckp s ALA 21 Ca 0.35 -1.76 0.02 0.00 0.00 0.00 0.00 51.96 50.57 1ckp s ALA 21 Cb -0.17 0.39 0.01 0.00 0.00 0.00 0.00 23.12 23.36 1ckp s ALA 21 CO 0.16 -0.20 -0.17 0.50 0.00 0.00 0.00 175.76 176.05 1ckp s ARG 22 N -3.83 2.33 -0.70 0.00 3.52 -0.58 -0.61 118.95 119.08 1ckp s ARG 22 Ca 0.27 -0.61 -0.26 0.00 -0.13 0.00 0.00 55.73 55.00 1ckp s ARG 22 Cb 0.05 -1.91 -0.01 0.00 -1.56 0.00 0.00 34.95 31.52 1ckp s ARG 22 CO 0.08 -0.00 1.73 1.21 -0.81 0.00 0.00 175.30 177.51 1ckp s ASN 23 N 0.81 5.50 0.48 -2.12 3.84 0.70 -1.09 114.94 123.06 1ckp s ASN 23 Ca -0.10 -0.06 0.34 0.00 0.21 0.00 0.00 52.86 53.25 1ckp s ASN 23 Cb -0.16 -2.54 1.46 0.00 -0.55 0.00 0.00 41.25 39.46 1ckp s ASN 23 CO 0.01 -2.27 1.67 0.11 -2.79 0.00 0.00 177.10 173.83 1ckp h LYS 24 N 13.17 0.10 0.00 0.43 1.57 -1.23 1.93 116.57 132.53 1ckp h LYS 24 Ca -0.19 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1ckp h LYS 24 Cb 1.11 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1ckp h LYS 24 CO 1.24 0.06 0.00 -0.11 -0.57 0.00 0.00 179.45 180.08 1ckp n LEU 25 N -4.44 0.80 0.00 2.94 7.94 -1.26 -4.30 117.00 118.69 1ckp n LEU 25 Ca 0.35 0.45 0.12 0.00 -1.11 0.00 0.00 56.01 55.82 1ckp n LEU 25 Cb 1.43 -0.32 0.58 0.00 0.53 0.00 0.00 43.42 45.63 1ckp n LEU 25 CO 0.30 -0.32 0.91 0.35 -1.11 0.00 0.00 177.39 177.52 1ckp n THR 26 N -1.46 0.23 -0.63 1.96 -2.24 -1.01 -4.91 114.28 106.21 1ckp n THR 26 Ca 0.00 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1ckp n THR 26 Cb 0.00 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 1ckp n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ckp n GLY 27 N 1.07 0.86 3.77 3.38 0.00 0.65 -4.96 105.19 109.96 1ckp n GLY 27 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1ckp n GLY 27 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ckp s GLU 28 N -0.31 4.19 -0.21 1.61 -1.05 -1.25 -4.50 118.70 117.17 1ckp s GLU 28 Ca 0.00 2.25 -0.20 0.00 -0.15 0.00 0.00 54.97 56.87 1ckp s GLU 28 Cb 0.00 -2.95 -0.03 0.00 -0.44 0.00 0.00 34.13 30.72 1ckp s GLU 28 CO 0.00 -0.34 0.60 0.08 0.95 0.00 0.00 175.26 176.55 1ckp s VAL 29 N -1.18 5.03 0.38 1.83 1.01 -1.26 -0.22 120.40 125.99 1ckp s VAL 29 Ca 0.52 1.11 0.04 0.00 0.00 0.00 0.00 61.98 63.66 1ckp s VAL 29 Cb -0.40 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1ckp s VAL 29 CO 0.53 0.10 0.16 0.68 0.00 0.00 0.00 175.10 176.57 1ckp s VAL 30 N 2.02 0.45 -0.23 2.92 -7.23 0.22 -4.20 120.40 114.35 1ckp s VAL 30 Ca 0.27 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.43 1ckp s VAL 30 Cb -0.16 -2.41 0.02 0.00 0.56 0.00 0.00 36.38 34.40 1ckp s VAL 30 CO 0.10 0.00 -0.09 0.00 -0.31 0.00 0.00 175.10 174.80 1ckp s ALA 31 N -3.32 2.63 -0.26 1.32 0.00 0.56 -0.45 121.76 122.24 1ckp s ALA 31 Ca 0.29 -1.40 -0.12 0.00 0.00 0.00 0.00 51.96 50.74 1ckp s ALA 31 Cb 0.03 -1.58 -0.05 0.00 0.00 0.00 0.00 23.12 21.53 1ckp s ALA 31 CO 0.17 -0.70 0.22 -1.17 0.00 0.00 0.00 175.76 174.29 1ckp s LEU 32 N 1.32 4.07 -0.28 0.00 2.96 0.10 -0.20 118.68 126.65 1ckp s LEU 32 Ca 0.01 0.12 -0.05 0.00 -0.22 0.00 0.00 54.13 53.99 1ckp s LEU 32 Cb -0.16 -2.19 0.02 0.00 0.50 0.00 0.00 46.19 44.36 1ckp s LEU 32 CO -0.06 -0.02 0.04 -0.75 -1.32 0.00 0.00 176.35 174.23 1ckp s LYS 33 N 1.49 2.99 -0.70 1.98 2.20 -0.24 -0.23 119.74 127.22 1ckp s LYS 33 Ca 0.09 -0.91 -0.23 0.00 -0.36 0.00 0.00 55.97 54.56 1ckp s LYS 33 Cb -0.15 -3.26 0.07 0.00 -1.51 0.00 0.00 37.83 32.98 1ckp s LYS 33 CO 0.08 -0.44 1.04 0.21 -0.36 0.00 0.00 175.35 175.88 1ckp s LYS 34 N 1.44 3.18 0.00 4.03 2.20 -0.43 -1.33 119.74 128.83 1ckp s LYS 34 Ca 0.01 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.79 1ckp s LYS 34 Cb -0.17 -4.31 0.00 0.00 -1.51 0.00 0.00 37.83 31.84 1ckp s LYS 34 CO 0.00 -1.87 0.00 -0.89 -0.36 0.00 0.00 175.35 172.23 1ckp n ILE 35 N 5.98 0.00 0.00 5.43 2.08 0.93 -3.38 119.36 130.40 1ckp n ILE 35 Ca 0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.32 1ckp n ILE 35 Cb 0.46 -0.36 0.00 0.00 -0.75 0.00 0.00 39.64 38.99 1ckp n ILE 35 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 1ckp n VAL 44 N 0.00 0.00 -1.66 1.39 0.24 -1.26 -4.64 118.33 112.39 1ckp n VAL 44 Ca 0.00 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 61.86 1ckp n VAL 44 Cb 0.00 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 1ckp n VAL 44 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1ckp n PRO 45 N -1.03 1.92 0.28 7.34 -0.04 -1.26 -4.87 135.00 137.34 1ckp n PRO 45 Ca 0.00 0.68 0.15 0.00 -0.04 0.00 0.00 63.50 64.29 1ckp n PRO 45 Cb 0.00 -2.27 0.80 0.00 -0.04 0.00 0.00 33.50 31.99 1ckp n PRO 45 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1ckp h SER 46 N 3.42 0.00 0.01 3.54 0.87 -2.03 -2.77 113.55 116.60 1ckp h SER 46 Ca -0.45 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 59.92 1ckp h SER 46 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1ckp h SER 46 CO 0.70 0.08 -0.70 0.00 -0.53 0.00 0.00 176.83 176.38 1ckp h THR 47 N 0.00 1.32 0.00 2.23 1.03 -1.98 -2.78 112.91 112.73 1ckp h THR 47 Ca -0.00 -1.98 -0.07 0.00 -0.01 0.00 0.00 66.41 64.35 1ckp h THR 47 Cb 0.31 1.96 -0.01 0.00 -1.07 0.00 0.00 68.15 69.34 1ckp h THR 47 CO 0.01 0.62 -0.33 0.00 -0.01 0.00 0.00 175.52 175.81 1ckp h ALA 48 N 0.77 1.05 -0.12 0.00 0.00 -1.74 -2.30 119.26 116.92 1ckp h ALA 48 Ca -0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1ckp h ALA 48 Cb 1.30 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ckp h ALA 48 CO 0.14 0.41 -0.05 0.82 0.00 0.00 0.00 179.25 180.57 1ckp h ILE 49 N 0.00 1.31 -0.25 0.00 1.08 -1.32 -1.73 117.51 116.61 1ckp h ILE 49 Ca -0.00 -1.06 -0.16 0.00 -0.39 0.00 0.00 64.86 63.25 1ckp h ILE 49 Cb 0.81 1.77 -0.01 0.00 -3.07 0.00 0.00 36.82 36.32 1ckp h ILE 49 CO 0.04 0.30 -0.49 0.03 -0.69 0.00 0.00 178.15 177.35 1ckp h ARG 50 N -0.10 0.68 -0.56 2.37 3.08 -1.46 -2.45 114.38 115.95 1ckp h ARG 50 Ca 0.03 -0.40 0.02 0.00 0.07 0.00 0.00 59.98 59.71 1ckp h ARG 50 Cb 0.50 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.55 1ckp h ARG 50 CO 0.02 1.01 0.34 1.49 -1.07 0.00 0.00 179.97 181.76 1ckp h GLU 51 N 0.54 0.65 0.00 0.04 4.57 -1.38 -0.65 114.58 118.34 1ckp h GLU 51 Ca 0.03 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1ckp h GLU 51 Cb 1.04 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 1ckp h GLU 51 CO 0.10 0.43 -0.23 0.44 -1.18 0.00 0.00 179.01 178.57 1ckp n ILE 52 N -4.77 0.40 0.05 2.32 -5.35 -0.65 -3.06 119.36 108.30 1ckp n ILE 52 Ca 0.04 -0.22 -0.12 0.00 -0.27 0.00 0.00 62.75 62.18 1ckp n ILE 52 Cb 0.08 -0.37 -0.01 0.00 -1.74 0.00 0.00 39.64 37.59 1ckp n ILE 52 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1ckp h SER 53 N 0.00 0.57 0.48 7.28 0.02 -0.86 -2.78 113.55 118.27 1ckp h SER 53 Ca 0.00 -0.40 -0.05 0.00 -0.84 0.00 0.00 61.79 60.50 1ckp h SER 53 Cb 0.69 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1ckp h SER 53 CO 0.00 1.17 -0.22 -0.07 -1.14 0.00 0.00 176.83 176.57 1ckp h LEU 54 N 0.30 0.00 -1.26 5.07 3.38 -1.07 -2.62 115.31 119.11 1ckp h LEU 54 Ca -0.05 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1ckp h LEU 54 Cb 1.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 1ckp h LEU 54 CO 0.14 0.22 -0.23 -0.07 0.09 0.00 0.00 178.44 178.59 1ckp h LEU 55 N 0.00 0.00 -1.69 1.67 3.38 -1.44 -2.88 115.31 114.35 1ckp h LEU 55 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1ckp h LEU 55 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1ckp h LEU 55 CO 0.03 0.23 -0.18 0.11 0.09 0.00 0.00 178.44 178.72 1ckp h LYS 56 N 0.00 0.00 0.00 1.13 1.57 -1.48 -2.12 116.57 115.67 1ckp h LYS 56 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1ckp h LYS 56 Cb 0.68 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1ckp h LYS 56 CO 0.03 0.18 -0.38 0.93 -0.57 0.00 0.00 179.45 179.64 1ckp h GLU 57 N 0.00 0.00 -4.68 3.15 4.39 -1.66 -3.41 114.58 112.37 1ckp h GLU 57 Ca -0.00 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 59.05 1ckp h GLU 57 Cb 0.42 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 1ckp h GLU 57 CO 0.02 0.19 2.51 -0.11 -1.16 0.00 0.00 179.01 180.47 1ckp n LEU 58 N -3.08 5.37 -4.70 1.33 7.94 -0.80 -4.95 117.00 118.11 1ckp n LEU 58 Ca 0.02 -3.69 -0.35 0.00 -1.11 0.00 0.00 56.01 50.88 1ckp n LEU 58 Cb 0.62 -1.56 -0.09 0.00 0.53 0.00 0.00 43.42 42.93 1ckp n LEU 58 CO 0.38 0.23 -0.23 0.20 -1.11 0.00 0.00 177.39 176.85 1ckp s ASN 59 N 4.21 5.81 -0.14 1.96 0.02 -1.26 -4.95 114.94 120.59 1ckp s ASN 59 Ca 0.53 0.18 -0.25 0.00 -1.02 0.00 0.00 52.86 52.30 1ckp s ASN 59 Cb 0.10 -1.95 0.06 0.00 0.02 0.00 0.00 41.25 39.49 1ckp s ASN 59 CO 0.02 0.24 0.63 -2.28 0.02 0.00 0.00 177.10 175.72 1ckp s HIS 60 N -0.00 -0.64 -0.26 2.20 2.46 -1.26 -5.04 115.29 112.74 1ckp s HIS 60 Ca 0.07 1.34 0.19 0.00 0.47 0.00 0.00 55.06 57.13 1ckp s HIS 60 Cb -0.12 0.30 1.04 0.00 -0.13 0.00 0.00 32.58 33.67 1ckp s HIS 60 CO 0.01 -0.45 1.58 -0.35 -2.47 0.00 0.00 174.74 173.05 1ckp n PRO 61 N 1.85 0.12 -0.40 2.88 -0.04 -1.26 -1.25 135.00 136.91 1ckp n PRO 61 Ca -0.17 0.62 0.08 0.00 -0.04 0.00 0.00 63.50 63.99 1ckp n PRO 61 Cb 0.56 -1.92 0.24 0.00 -0.04 0.00 0.00 33.50 32.34 1ckp n PRO 61 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ckp n ASN 62 N -2.17 3.75 -4.11 3.54 4.13 -1.26 -4.85 115.26 114.28 1ckp n ASN 62 Ca -0.01 -2.64 -0.30 0.00 1.68 0.00 0.00 54.58 53.31 1ckp n ASN 62 Cb 0.04 -0.45 -0.17 0.00 -1.54 0.00 0.00 39.78 37.66 1ckp n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1ckp s ILE 63 N -2.15 1.70 -0.06 2.41 1.01 -0.38 -0.60 121.20 123.13 1ckp s ILE 63 Ca 0.37 -0.78 -0.30 0.00 0.00 0.00 0.00 60.65 59.94 1ckp s ILE 63 Cb 0.27 -1.52 -0.08 0.00 0.01 0.00 0.00 42.46 41.14 1ckp s ILE 63 CO 0.13 0.48 2.05 0.52 0.00 0.00 0.00 174.94 178.12 1ckp n VAL 64 N 3.96 0.62 -1.79 2.92 0.31 -0.28 -4.56 118.33 119.52 1ckp n VAL 64 Ca -0.20 -0.23 -0.42 0.00 -0.01 0.00 0.00 64.34 63.48 1ckp n VAL 64 Cb 0.52 -2.33 -0.03 0.00 -0.91 0.00 0.00 33.84 31.09 1ckp n VAL 64 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1ckp s LYS 65 N 5.03 4.16 -0.59 5.55 2.20 -1.26 -4.88 119.74 129.94 1ckp s LYS 65 Ca 0.93 2.52 -0.21 0.00 -0.36 0.00 0.00 55.97 58.85 1ckp s LYS 65 Cb -0.44 -3.45 0.07 0.00 -1.51 0.00 0.00 37.83 32.50 1ckp s LYS 65 CO 0.41 -0.78 0.82 -1.17 -0.36 0.00 0.00 175.35 174.28 1ckp s LEU 66 N 2.25 4.70 -0.01 5.43 2.96 -1.26 -1.62 118.68 131.12 1ckp s LEU 66 Ca 0.77 -0.96 -0.26 0.00 -0.22 0.00 0.00 54.13 53.46 1ckp s LEU 66 Cb -0.45 -2.47 -0.20 0.00 0.50 0.00 0.00 46.19 43.57 1ckp s LEU 66 CO 0.34 -1.21 1.30 -0.07 -1.32 0.00 0.00 176.35 175.39 1ckp h LEU 67 N 10.60 -0.01 -7.40 -0.68 3.38 -0.70 -3.45 115.31 117.05 1ckp h LEU 67 Ca -0.28 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.19 1ckp h LEU 67 Cb 1.08 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.70 1ckp h LEU 67 CO 1.10 0.44 -0.08 -1.81 0.09 0.00 0.00 178.44 178.18 1ckp s ASP 68 N -5.64 -0.23 -0.08 -0.43 1.01 -0.98 -5.00 116.67 105.33 1ckp s ASP 68 Ca -0.16 -0.30 0.04 0.00 0.71 0.00 0.00 52.55 52.85 1ckp s ASP 68 Cb 0.02 0.47 0.00 0.00 1.01 0.00 0.00 42.92 44.42 1ckp s ASP 68 CO 0.67 -0.83 -0.20 -0.69 0.21 0.00 0.00 175.17 174.32 1ckp s VAL 69 N -3.68 1.75 -0.20 -1.27 1.01 -1.26 0.09 120.40 116.83 1ckp s VAL 69 Ca 0.02 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 1ckp s VAL 69 Cb 0.02 -1.52 0.05 0.00 0.00 0.00 0.00 36.38 34.93 1ckp s VAL 69 CO -0.11 0.49 -0.05 -0.63 0.00 0.00 0.00 175.10 174.80 1ckp s ILE 70 N 0.32 1.31 -0.16 2.22 1.01 0.61 -4.99 121.20 121.52 1ckp s ILE 70 Ca -0.14 -0.91 -0.05 0.00 0.00 0.00 0.00 60.65 59.55 1ckp s ILE 70 Cb -0.16 -1.53 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 1ckp s ILE 70 CO 0.06 0.02 -0.00 -2.28 0.00 0.00 0.00 174.94 172.74 1ckp s HIS 71 N 1.52 3.11 -0.28 3.97 2.46 -1.26 -0.27 115.29 124.53 1ckp s HIS 71 Ca -0.02 -0.14 -0.02 0.00 0.47 0.00 0.00 55.06 55.35 1ckp s HIS 71 Cb -0.17 -1.98 0.17 0.00 -0.13 0.00 0.00 32.58 30.47 1ckp s HIS 71 CO -0.07 0.07 0.54 0.95 -2.47 0.00 0.00 174.74 173.76 1ckp s THR 72 N 0.26 -0.90 -0.59 0.89 -4.23 0.10 -5.02 115.64 106.16 1ckp s THR 72 Ca -0.01 -0.01 -0.22 0.00 -1.18 0.00 0.00 61.69 60.27 1ckp s THR 72 Cb -0.13 -0.95 0.03 0.00 1.34 0.00 0.00 72.50 72.79 1ckp s THR 72 CO 0.02 -0.03 0.64 -1.84 -0.54 0.00 0.00 174.62 172.87 1ckp n GLU 73 N 5.41 -1.81 0.00 3.99 0.00 -1.26 -1.64 120.64 125.34 1ckp n GLU 73 Ca -0.02 1.26 0.00 0.00 0.00 0.00 0.00 57.16 58.40 1ckp n GLU 73 Cb 0.51 -2.62 0.00 0.00 0.00 0.00 0.00 31.44 29.33 1ckp n GLU 73 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1ckp n ASN 74 N -1.12 0.00 -4.69 -1.84 4.13 -1.26 -4.91 115.26 105.57 1ckp n ASN 74 Ca -0.15 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.72 1ckp n ASN 74 Cb 0.66 -0.83 -0.06 0.00 -1.54 0.00 0.00 39.78 38.02 1ckp n ASN 74 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1ckp s LYS 75 N 0.00 4.31 -0.15 3.52 -0.14 -0.65 -4.47 119.74 122.15 1ckp s LYS 75 Ca 0.00 0.65 0.01 0.00 -1.36 0.00 0.00 55.97 55.27 1ckp s LYS 75 Cb 0.00 -3.51 0.02 0.00 -1.68 0.00 0.00 37.83 32.66 1ckp s LYS 75 CO 0.00 -0.06 -0.18 -1.17 -0.76 0.00 0.00 175.35 173.18 1ckp s LEU 76 N 1.31 1.92 -0.10 3.17 2.96 -1.26 -0.72 118.68 125.95 1ckp s LEU 76 Ca 0.31 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 1ckp s LEU 76 Cb -0.16 -1.32 -0.01 0.00 0.50 0.00 0.00 46.19 45.19 1ckp s LEU 76 CO 0.12 -0.01 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.67 1ckp s TYR 77 N 1.26 2.69 -0.23 5.38 2.02 0.63 -0.05 117.35 129.04 1ckp s TYR 77 Ca 0.02 -0.68 -0.04 0.00 -0.37 0.00 0.00 57.07 56.00 1ckp s TYR 77 Cb -0.14 -1.75 -0.00 0.00 -0.40 0.00 0.00 41.96 39.67 1ckp s TYR 77 CO -0.09 -0.20 -0.03 -0.51 -1.57 0.00 0.00 175.55 173.14 1ckp s LEU 78 N 0.13 3.05 -0.28 -1.29 1.43 -0.44 -0.28 118.68 121.00 1ckp s LEU 78 Ca -0.09 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 52.36 1ckp s LEU 78 Cb -0.15 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 1ckp s LEU 78 CO 0.05 -0.06 0.42 -0.69 0.23 0.00 0.00 176.35 176.31 1ckp s VAL 79 N 1.46 5.13 0.29 -1.59 1.01 0.11 -1.08 120.40 125.74 1ckp s VAL 79 Ca 0.05 0.60 0.11 0.00 0.00 0.00 0.00 61.98 62.74 1ckp s VAL 79 Cb -0.15 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 1ckp s VAL 79 CO -0.03 0.09 -0.17 -0.36 0.00 0.00 0.00 175.10 174.63 1ckp s PHE 80 N 2.16 2.34 0.49 5.22 0.08 0.72 0.06 117.98 129.06 1ckp s PHE 80 Ca 0.17 -0.34 -0.22 0.00 0.12 0.00 0.00 56.93 56.66 1ckp s PHE 80 Cb -0.16 -1.06 -0.07 0.00 -0.57 0.00 0.00 43.02 41.16 1ckp s PHE 80 CO 0.10 0.69 1.16 -1.83 -0.10 0.00 0.00 175.22 175.24 1ckp s GLU 81 N -3.54 3.60 -0.11 0.44 -1.05 -0.64 -0.32 118.70 117.08 1ckp s GLU 81 Ca 0.31 1.73 -0.14 0.00 -0.15 0.00 0.00 54.97 56.71 1ckp s GLU 81 Cb -0.04 -2.27 -0.05 0.00 -0.44 0.00 0.00 34.13 31.33 1ckp s GLU 81 CO 0.16 -0.67 0.34 0.12 0.95 0.00 0.00 175.26 176.16 1ckp s PHE 82 N -1.61 3.54 0.03 4.83 5.36 -1.26 -4.43 117.98 124.44 1ckp s PHE 82 Ca 0.67 0.73 0.09 0.00 -0.96 0.00 0.00 56.93 57.45 1ckp s PHE 82 Cb -0.27 -2.34 -0.03 0.00 -0.34 0.00 0.00 43.02 40.04 1ckp s PHE 82 CO 0.32 0.35 -0.25 -0.51 -1.46 0.00 0.00 175.22 173.68 1ckp s LEU 83 N 0.05 2.15 0.13 6.12 1.02 -1.26 -5.01 118.68 121.87 1ckp s LEU 83 Ca 0.20 -0.55 0.23 0.00 0.02 0.00 0.00 54.13 54.02 1ckp s LEU 83 Cb -0.14 -1.22 0.90 0.00 0.02 0.00 0.00 46.19 45.75 1ckp s LEU 83 CO 0.07 0.25 1.70 1.41 0.02 0.00 0.00 176.35 179.80 1ckp n HIS 84 N 1.91 0.48 -3.49 0.29 8.25 -1.25 -4.91 115.22 116.50 1ckp n HIS 84 Ca -0.17 0.17 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 1ckp n HIS 84 Cb 0.52 -0.77 -0.04 0.00 1.12 0.00 0.00 29.99 30.82 1ckp n HIS 84 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1ckp s GLN 85 N -3.13 1.02 0.33 -0.41 0.74 -1.22 -5.06 119.66 111.93 1ckp s GLN 85 Ca 0.08 -0.11 0.07 0.00 0.05 0.00 0.00 55.36 55.45 1ckp s GLN 85 Cb 0.12 0.48 -0.02 0.00 1.10 0.00 0.00 33.01 34.68 1ckp s GLN 85 CO 0.43 -0.39 0.32 0.16 -0.55 0.00 0.00 175.29 175.26 1ckp s ASP 86 N -1.96 5.45 0.39 6.67 1.47 -1.26 -0.81 116.67 126.61 1ckp s ASP 86 Ca -0.02 -0.42 0.15 0.00 1.18 0.00 0.00 52.55 53.44 1ckp s ASP 86 Cb -0.01 -1.06 0.81 0.00 -0.34 0.00 0.00 42.92 42.33 1ckp s ASP 86 CO -0.03 -0.35 1.86 0.25 0.68 0.00 0.00 175.17 177.58 1ckp h LEU 87 N 1.19 0.00 -0.09 2.11 5.85 -0.42 -2.41 115.31 121.55 1ckp h LEU 87 Ca -0.45 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.27 1ckp h LEU 87 Cb 1.25 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1ckp h LEU 87 CO 0.57 0.33 0.04 0.50 -0.34 0.00 0.00 178.44 179.55 1ckp h LYS 88 N 0.00 0.12 -0.44 1.25 3.64 -1.81 0.33 116.57 119.67 1ckp h LYS 88 Ca -0.00 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 1ckp h LYS 88 Cb 0.61 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1ckp h LYS 88 CO 0.04 0.18 -0.12 -0.22 -2.27 0.00 0.00 179.45 177.07 1ckp h LYS 89 N 0.03 0.79 -0.42 1.90 3.64 -1.88 -2.39 116.57 118.24 1ckp h LYS 89 Ca 0.03 -0.27 -0.11 0.00 -1.27 0.00 0.00 60.65 59.03 1ckp h LYS 89 Cb 0.10 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1ckp h LYS 89 CO -0.00 0.87 -0.18 0.35 -2.27 0.00 0.00 179.45 178.22 1ckp h PHE 90 N 0.71 0.90 -0.48 1.91 3.57 -1.20 -1.59 116.94 120.76 1ckp h PHE 90 Ca 0.12 -0.19 -0.06 0.00 3.53 0.00 0.00 57.97 61.36 1ckp h PHE 90 Cb 0.60 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1ckp h PHE 90 CO 0.03 0.92 0.06 0.52 -2.23 0.00 0.00 178.31 177.61 1ckp h MET 91 N 0.71 0.81 -0.71 1.11 2.86 -0.70 -1.48 114.93 117.53 1ckp h MET 91 Ca 0.11 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 1ckp h MET 91 Cb 0.69 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 1ckp h MET 91 CO 0.05 0.82 0.24 -0.44 1.06 0.00 0.00 176.91 178.64 1ckp h ASP 92 N 0.67 1.02 -0.18 1.22 3.32 -1.30 -0.10 116.42 121.07 1ckp h ASP 92 Ca 0.14 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1ckp h ASP 92 Cb 0.42 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1ckp h ASP 92 CO 0.01 0.95 0.09 0.00 -1.72 0.00 0.00 179.24 178.57 1ckp h ALA 93 N 1.11 1.74 -0.29 3.45 0.00 -1.02 -2.35 119.26 121.90 1ckp h ALA 93 Ca 0.23 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1ckp h ALA 93 Cb 0.28 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 1ckp h ALA 93 CO -0.01 0.21 -0.09 -1.13 0.00 0.00 0.00 179.25 178.24 1ckp n SER 94 N -4.44 2.67 -0.05 0.00 3.41 -0.58 -4.74 113.62 109.89 1ckp n SER 94 Ca 0.00 -3.61 -0.12 0.00 -0.26 0.00 0.00 58.87 54.88 1ckp n SER 94 Cb 0.12 -0.60 -0.07 0.00 -0.26 0.00 0.00 64.21 63.40 1ckp n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ckp h ALA 95 N 1.09 0.18 -0.46 7.33 0.00 -0.45 1.20 119.26 128.14 1ckp h ALA 95 Ca 0.16 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1ckp h ALA 95 Cb 1.54 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1ckp h ALA 95 CO 0.31 -0.05 0.07 -0.07 0.00 0.00 0.00 179.25 179.51 1ckp h LEU 96 N -0.07 0.67 0.00 0.00 3.38 -1.85 -3.24 115.31 114.20 1ckp h LEU 96 Ca 0.03 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1ckp h LEU 96 Cb 0.50 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1ckp h LEU 96 CO 0.02 0.70 -2.02 1.07 0.09 0.00 0.00 178.44 178.29 1ckp n THR 97 N -4.27 0.38 0.00 0.22 5.66 -1.22 -5.11 114.28 109.93 1ckp n THR 97 Ca 0.03 -0.56 0.00 0.00 -3.05 0.00 0.00 64.05 60.47 1ckp n THR 97 Cb 0.24 -0.12 0.00 0.00 -1.55 0.00 0.00 70.33 68.90 1ckp n THR 97 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ckp n GLY 98 N 1.51 -2.53 3.69 1.09 0.00 0.41 -4.90 105.19 104.46 1ckp n GLY 98 Ca -0.12 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 1ckp n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ckp s ILE 99 N -2.18 3.98 0.32 -0.61 1.01 -1.25 -4.94 121.20 117.53 1ckp s ILE 99 Ca 0.00 1.35 -0.28 0.00 0.00 0.00 0.00 60.65 61.72 1ckp s ILE 99 Cb 0.00 -3.86 -0.13 0.00 0.01 0.00 0.00 42.46 38.47 1ckp s ILE 99 CO 0.00 0.01 1.17 -2.65 0.00 0.00 0.00 174.94 173.47 1ckp n PRO 100 N 5.14 1.79 -0.35 2.79 -0.02 -1.26 -4.70 135.00 138.38 1ckp n PRO 100 Ca 0.12 0.63 0.12 0.00 -2.02 0.00 0.00 63.50 62.35 1ckp n PRO 100 Cb 0.45 -2.12 0.31 0.00 -0.02 0.00 0.00 33.50 32.12 1ckp n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1ckp h LEU 101 N 2.32 0.80 -1.62 2.45 5.85 -1.98 -0.06 115.31 123.07 1ckp h LEU 101 Ca -0.43 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 1ckp h LEU 101 Cb 1.31 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 1ckp h LEU 101 CO 0.62 0.30 0.00 -0.65 -0.34 0.00 0.00 178.44 178.37 1ckp h PRO 102 N 0.79 0.24 0.09 5.25 0.11 -1.98 0.29 132.00 136.79 1ckp h PRO 102 Ca 0.57 -0.03 -0.25 0.00 0.11 0.00 0.00 66.00 66.39 1ckp h PRO 102 Cb 0.85 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 1ckp h PRO 102 CO -0.37 0.26 -1.15 1.25 -0.21 0.00 0.00 178.00 177.79 1ckp h LEU 103 N 0.24 0.39 -0.26 2.35 5.85 -1.42 -1.30 115.31 121.16 1ckp h LEU 103 Ca 0.06 -0.39 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 1ckp h LEU 103 Cb 0.16 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1ckp h LEU 103 CO 0.00 1.27 0.02 0.40 -0.34 0.00 0.00 178.44 179.80 1ckp h ILE 104 N 0.09 1.24 -0.62 4.05 2.04 -0.54 -0.98 117.51 122.80 1ckp h ILE 104 Ca -0.11 -0.84 -0.05 0.00 1.00 0.00 0.00 64.86 64.86 1ckp h ILE 104 Cb 1.86 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 39.20 1ckp h ILE 104 CO 0.19 0.27 0.18 0.50 0.00 0.00 0.00 178.15 179.28 1ckp h LYS 105 N 0.24 0.97 -0.22 2.37 3.64 -0.48 -1.46 116.57 121.63 1ckp h LYS 105 Ca 0.08 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 1ckp h LYS 105 Cb 0.37 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1ckp h LYS 105 CO 0.01 0.87 0.10 1.03 -2.27 0.00 0.00 179.45 179.18 1ckp h SER 106 N 0.89 0.30 -0.44 4.20 0.87 -1.12 -1.32 113.55 116.92 1ckp h SER 106 Ca 0.20 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1ckp h SER 106 Cb 0.31 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 1ckp h SER 106 CO -0.00 0.37 0.26 1.88 -0.53 0.00 0.00 176.83 178.80 1ckp h TYR 107 N 0.21 0.60 -0.75 2.24 0.05 -1.00 -1.32 116.97 117.00 1ckp h TYR 107 Ca 0.07 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.79 1ckp h TYR 107 Cb 0.15 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.67 1ckp h TYR 107 CO -0.02 0.43 0.25 1.25 -1.05 0.00 0.00 178.16 179.03 1ckp h LEU 108 N 0.59 1.08 -0.25 3.88 5.85 -1.18 -1.17 115.31 124.11 1ckp h LEU 108 Ca 0.16 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1ckp h LEU 108 Cb 0.02 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1ckp h LEU 108 CO -0.03 0.99 0.14 0.15 -0.34 0.00 0.00 178.44 179.35 1ckp h PHE 109 N 1.11 0.35 -0.45 1.25 3.57 -0.91 -0.76 116.94 121.11 1ckp h PHE 109 Ca 0.24 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 1ckp h PHE 109 Cb 0.29 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1ckp h PHE 109 CO 0.02 0.31 0.12 1.96 -2.23 0.00 0.00 178.31 178.49 1ckp h GLN 110 N 0.29 0.71 -0.64 1.11 4.20 -1.06 -1.53 115.11 118.19 1ckp h GLN 110 Ca 0.09 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 1ckp h GLN 110 Cb 0.08 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 1ckp h GLN 110 CO -0.01 0.70 0.25 -0.07 -0.67 0.00 0.00 178.83 179.03 1ckp h LEU 111 N 0.59 0.86 -0.82 1.46 4.07 -1.08 -0.96 115.31 119.42 1ckp h LEU 111 Ca 0.14 -0.12 -0.10 0.00 0.08 0.00 0.00 57.88 57.88 1ckp h LEU 111 Cb 0.31 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 1ckp h LEU 111 CO 0.00 0.77 -0.17 -0.07 -1.08 0.00 0.00 178.44 177.89 1ckp h LEU 112 N 0.92 0.69 -0.39 1.67 3.38 -0.88 0.11 115.31 120.81 1ckp h LEU 112 Ca 0.22 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1ckp h LEU 112 Cb 0.19 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1ckp h LEU 112 CO -0.02 0.87 0.06 1.56 0.09 0.00 0.00 178.44 181.00 1ckp h GLN 113 N 0.62 0.65 -0.32 1.13 4.20 -0.71 0.13 115.11 120.81 1ckp h GLN 113 Ca 0.10 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1ckp h GLN 113 Cb 0.64 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1ckp h GLN 113 CO 0.04 0.70 0.17 0.78 -0.67 0.00 0.00 178.83 179.86 1ckp h GLY 114 N 0.49 0.47 0.96 3.46 0.00 -0.88 -1.25 103.07 106.32 1ckp h GLY 114 Ca 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1ckp h GLY 114 CO 0.01 0.21 0.17 1.41 0.00 0.00 0.00 176.54 178.33 1ckp h LEU 115 N 0.39 0.37 -0.94 3.11 4.07 -0.69 -1.66 115.31 119.96 1ckp h LEU 115 Ca 0.11 -0.08 0.12 0.00 0.08 0.00 0.00 57.88 58.11 1ckp h LEU 115 Cb 0.07 -0.09 -0.08 0.00 1.08 0.00 0.00 40.66 41.63 1ckp h LEU 115 CO -0.02 0.34 0.57 0.00 -1.08 0.00 0.00 178.44 178.26 1ckp h ALA 116 N 1.04 1.41 0.14 1.53 0.00 -0.46 0.27 119.26 123.18 1ckp h ALA 116 Ca 0.11 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1ckp h ALA 116 Cb 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ckp h ALA 116 CO -0.02 0.15 -0.07 0.35 0.00 0.00 0.00 179.25 179.66 1ckp h PHE 117 N 0.89 -0.17 -0.26 0.00 3.57 -0.70 -1.49 116.94 118.77 1ckp h PHE 117 Ca 0.47 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.96 1ckp h PHE 117 Cb 0.50 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1ckp h PHE 117 CO -0.03 0.08 0.14 0.00 -2.23 0.00 0.00 178.31 176.28 1ckp h HIS 119 N 0.31 0.28 0.00 0.00 3.86 -0.51 0.14 115.15 119.24 1ckp h HIS 119 Ca 0.09 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1ckp h HIS 119 Cb 0.07 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.44 1ckp h HIS 119 CO -0.03 0.23 -0.06 0.66 0.86 0.00 0.00 177.93 179.59 1ckp h SER 120 N 0.29 0.00 -0.55 2.45 4.64 -0.84 -2.04 113.55 117.50 1ckp h SER 120 Ca 0.08 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.26 1ckp h SER 120 Cb 0.07 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.07 1ckp h SER 120 CO -0.01 0.06 0.14 1.41 -0.87 0.00 0.00 176.83 177.56 1ckp n HIS 121 N -3.26 1.87 -3.56 4.77 8.25 -0.06 -4.94 115.22 118.29 1ckp n HIS 121 Ca -0.01 -1.14 -0.26 0.00 -0.26 0.00 0.00 57.72 56.05 1ckp n HIS 121 Cb 0.27 -0.56 0.01 0.00 1.12 0.00 0.00 29.99 30.83 1ckp n HIS 121 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ckp n ARG 122 N -0.32 -4.09 -4.19 -0.41 3.00 -0.77 -4.97 116.66 104.91 1ckp n ARG 122 Ca 0.34 0.54 -0.34 0.00 -0.01 0.00 0.00 57.85 58.39 1ckp n ARG 122 Cb 1.20 -5.32 -0.15 0.00 0.00 0.00 0.00 32.46 28.19 1ckp n ARG 122 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1ckp s VAL 123 N -3.09 2.80 0.22 1.55 1.01 -0.63 -5.02 120.40 117.24 1ckp s VAL 123 Ca 0.50 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.82 1ckp s VAL 123 Cb -0.26 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1ckp s VAL 123 CO 0.61 0.49 0.30 -0.76 0.00 0.00 0.00 175.10 175.74 1ckp s LEU 124 N 1.17 4.21 -0.24 3.92 1.02 -1.26 -3.58 118.68 123.92 1ckp s LEU 124 Ca 0.01 0.02 -0.18 0.00 0.02 0.00 0.00 54.13 54.01 1ckp s LEU 124 Cb -0.14 -2.76 -0.16 0.00 0.02 0.00 0.00 46.19 43.15 1ckp s LEU 124 CO -0.05 -0.03 -0.04 1.57 0.02 0.00 0.00 176.35 177.83 1ckp n HIS 125 N -1.14 0.59 -0.11 0.29 -0.00 -1.26 -3.40 115.22 110.18 1ckp n HIS 125 Ca -0.08 0.25 0.00 0.00 -0.00 0.00 0.00 57.72 57.89 1ckp n HIS 125 Cb 0.56 -1.05 0.00 0.00 -0.00 0.00 0.00 29.99 29.51 1ckp n HIS 125 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23 1ckp n ARG 126 N -4.36 0.00 -2.69 1.57 1.85 -1.26 -4.46 116.66 107.32 1ckp n ARG 126 Ca -0.41 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.37 1ckp n ARG 126 Cb 0.76 -2.71 0.04 0.00 -1.05 0.00 0.00 32.46 29.51 1ckp n ARG 126 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1ckp n ASP 127 N 0.00 1.14 -4.75 2.89 2.03 -1.26 -5.00 116.55 111.60 1ckp n ASP 127 Ca 0.00 -2.59 -0.41 0.00 0.52 0.00 0.00 54.79 52.31 1ckp n ASP 127 Cb 0.00 -0.38 -0.03 0.00 -0.72 0.00 0.00 41.12 39.99 1ckp n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ckp s LEU 128 N -3.23 4.43 0.06 -2.67 1.43 -1.26 -4.95 118.68 112.49 1ckp s LEU 128 Ca 0.26 2.51 -0.26 0.00 -1.03 0.00 0.00 54.13 55.61 1ckp s LEU 128 Cb 0.44 -3.63 0.09 0.00 0.03 0.00 0.00 46.19 43.12 1ckp s LEU 128 CO 0.02 -0.50 0.77 -1.59 0.23 0.00 0.00 176.35 175.27 1ckp s LYS 129 N -0.87 1.01 0.47 1.70 -2.85 -1.26 -4.74 119.74 113.21 1ckp s LYS 129 Ca 0.53 -0.37 0.22 0.00 -1.00 0.00 0.00 55.97 55.35 1ckp s LYS 129 Cb -0.38 0.47 1.24 0.00 -2.06 0.00 0.00 37.83 37.10 1ckp s LYS 129 CO 0.44 -0.44 1.90 -1.35 0.10 0.00 0.00 175.35 176.00 1ckp h PRO 130 N 2.01 0.22 0.00 1.78 0.11 -1.95 -1.98 132.00 132.19 1ckp h PRO 130 Ca -0.27 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 1ckp h PRO 130 Cb 1.27 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1ckp h PRO 130 CO 0.34 0.15 -0.11 1.96 -0.21 0.00 0.00 178.00 180.13 1ckp h GLN 131 N 0.23 0.00 -0.53 1.05 7.50 -1.95 -2.64 115.11 118.77 1ckp h GLN 131 Ca 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.54 1ckp h GLN 131 Cb 1.24 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.76 1ckp h GLN 131 CO -0.09 0.11 0.02 0.27 -1.50 0.00 0.00 178.83 177.63 1ckp n ASN 132 N -3.31 5.33 -4.16 1.46 0.23 -0.74 -4.80 115.26 109.26 1ckp n ASN 132 Ca -0.00 -2.98 -0.34 0.00 -0.53 0.00 0.00 54.58 50.72 1ckp n ASN 132 Cb 0.32 -0.67 -0.14 0.00 -2.08 0.00 0.00 39.78 37.21 1ckp n ASN 132 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1ckp s LEU 133 N -2.81 3.52 -0.11 -4.53 1.43 -1.02 -0.06 118.68 115.10 1ckp s LEU 133 Ca 0.53 -1.13 -0.03 0.00 -1.03 0.00 0.00 54.13 52.46 1ckp s LEU 133 Cb 0.41 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.93 1ckp s LEU 133 CO 0.14 -0.19 0.02 -0.76 0.23 0.00 0.00 176.35 175.78 1ckp s LEU 134 N 1.26 3.63 0.23 1.79 1.43 -0.24 -0.30 118.68 126.49 1ckp s LEU 134 Ca -0.04 0.13 0.11 0.00 -1.03 0.00 0.00 54.13 53.30 1ckp s LEU 134 Cb -0.18 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 1ckp s LEU 134 CO -0.03 0.32 -0.21 0.27 0.23 0.00 0.00 176.35 176.94 1ckp s ILE 135 N -0.55 2.30 0.41 -0.59 -4.36 0.01 0.09 121.20 118.50 1ckp s ILE 135 Ca 0.10 -2.22 0.04 0.00 -0.26 0.00 0.00 60.65 58.31 1ckp s ILE 135 Cb -0.12 -2.17 -0.05 0.00 1.25 0.00 0.00 42.46 41.37 1ckp s ILE 135 CO 0.02 -0.32 0.05 0.54 0.24 0.00 0.00 174.94 175.47 1ckp s ASN 136 N -3.14 3.24 0.45 4.36 2.20 -0.92 -3.45 114.94 117.67 1ckp s ASN 136 Ca 0.25 -1.50 0.31 0.00 -0.94 0.00 0.00 52.86 50.97 1ckp s ASN 136 Cb -0.06 0.11 1.41 0.00 -2.00 0.00 0.00 41.25 40.71 1ckp s ASN 136 CO 0.12 -0.70 1.92 0.71 -2.94 0.00 0.00 177.10 176.21 1ckp h THR 137 N 1.78 0.00 -0.05 0.54 1.35 -1.91 -3.06 112.91 111.57 1ckp h THR 137 Ca -0.41 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1ckp h THR 137 Cb 1.27 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1ckp h THR 137 CO 0.71 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.36 1ckp n GLU 138 N -2.69 1.34 -0.32 4.72 -0.58 -1.26 -4.45 120.64 117.40 1ckp n GLU 138 Ca 0.00 -0.50 0.00 0.00 -0.42 0.00 0.00 57.16 56.24 1ckp n GLU 138 Cb 0.20 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 1ckp n GLU 138 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ckp n GLY 139 N 1.01 0.66 3.86 0.62 0.00 -1.16 -4.77 105.19 105.41 1ckp n GLY 139 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1ckp n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ckp s ALA 140 N -2.61 3.41 -0.01 4.61 0.00 -1.26 -4.89 121.76 121.00 1ckp s ALA 140 Ca 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 51.96 51.91 1ckp s ALA 140 Cb 0.00 -2.65 -0.00 0.00 0.00 0.00 0.00 23.12 20.47 1ckp s ALA 140 CO 0.00 0.40 -0.06 -1.50 0.00 0.00 0.00 175.76 174.59 1ckp s ILE 141 N -1.92 0.53 0.12 0.00 2.07 -1.26 -2.16 121.20 118.58 1ckp s ILE 141 Ca 0.52 -0.26 0.05 0.00 -1.41 0.00 0.00 60.65 59.55 1ckp s ILE 141 Cb -0.11 -0.46 -0.04 0.00 0.13 0.00 0.00 42.46 41.98 1ckp s ILE 141 CO 0.19 0.16 -0.11 -0.54 -1.91 0.00 0.00 174.94 172.73 1ckp s LYS 142 N 0.03 0.98 -0.17 3.50 1.02 0.11 -4.68 119.74 120.53 1ckp s LYS 142 Ca 0.00 -1.29 -0.18 0.00 0.02 0.00 0.00 55.97 54.52 1ckp s LYS 142 Cb -0.05 -0.67 -0.04 0.00 -0.52 0.00 0.00 37.83 36.55 1ckp s LYS 142 CO -0.00 0.10 0.47 -0.51 -0.92 0.00 0.00 175.35 174.49 1ckp s LEU 143 N -2.72 4.19 0.10 3.17 1.43 0.23 -1.07 118.68 124.01 1ckp s LEU 143 Ca 0.11 0.67 0.06 0.00 -1.03 0.00 0.00 54.13 53.94 1ckp s LEU 143 Cb -0.01 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 1ckp s LEU 143 CO 0.01 -0.09 -0.04 0.00 0.23 0.00 0.00 176.35 176.47 1ckp s ALA 144 N 1.20 3.17 -0.91 4.21 0.00 0.91 -1.12 121.76 129.21 1ckp s ALA 144 Ca 0.23 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1ckp s ALA 144 Cb -0.15 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 21.90 1ckp s ALA 144 CO 0.09 0.67 0.00 -0.25 0.00 0.00 0.00 175.76 176.27 1ckp n ASP 145 N 0.57 -3.72 -4.74 0.00 8.00 -1.26 -4.83 116.55 110.57 1ckp n ASP 145 Ca -0.12 0.13 -0.41 0.00 0.71 0.00 0.00 54.79 55.10 1ckp n ASP 145 Cb 0.52 -2.45 -0.03 0.00 -0.02 0.00 0.00 41.12 39.14 1ckp n ASP 145 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1ckp s PHE 146 N -2.40 3.13 0.00 1.24 2.19 -1.26 -2.83 117.98 118.05 1ckp s PHE 146 Ca 0.00 1.08 0.00 0.00 0.33 0.00 0.00 56.93 58.34 1ckp s PHE 146 Cb 0.00 -3.73 0.00 0.00 -1.31 0.00 0.00 43.02 37.98 1ckp s PHE 146 CO 0.00 -2.38 0.00 0.41 1.83 0.00 0.00 175.22 175.08 1ckp n GLY 147 N 2.41 2.46 0.21 13.12 0.00 -1.22 -4.85 105.19 117.32 1ckp n GLY 147 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.15 1ckp n GLY 147 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ckp h LEU 148 N 0.00 0.00 -0.08 0.99 4.07 -1.82 -2.51 115.31 115.95 1ckp h LEU 148 Ca 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 1ckp h LEU 148 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1ckp h LEU 148 CO 0.00 0.29 -0.23 0.00 -1.08 0.00 0.00 178.44 177.43 1ckp h ALA 149 N 1.71 0.14 -0.46 1.53 0.00 -1.78 0.16 119.26 120.56 1ckp h ALA 149 Ca -0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1ckp h ALA 149 Cb 0.61 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1ckp h ALA 149 CO 0.04 0.11 0.27 -0.09 0.00 0.00 0.00 179.25 179.58 1ckp h ARG 150 N -0.18 0.62 0.02 0.00 9.65 -1.84 -3.03 114.38 119.62 1ckp h ARG 150 Ca -0.01 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1ckp h ARG 150 Cb 0.84 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.29 1ckp h ARG 150 CO 0.05 0.44 -0.01 0.00 2.80 0.00 0.00 179.97 183.25 1ckp h ALA 151 N 1.67 -0.03 -3.00 2.80 0.00 -1.25 -3.50 119.26 115.95 1ckp h ALA 151 Ca 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ckp h ALA 151 Cb -0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ckp h ALA 151 CO -0.03 -0.25 0.00 1.19 0.00 0.00 0.00 179.25 180.16 1ckp n PHE 152 N -4.85 0.00 0.00 0.00 3.72 0.55 -4.58 117.46 112.31 1ckp n PHE 152 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1ckp n PHE 152 Cb 0.27 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 1ckp n PHE 152 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 1ckp n VAL 164 N 0.00 0.00 -3.00 -4.37 3.14 -1.26 -4.64 118.33 108.20 1ckp n VAL 164 Ca 0.00 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.98 1ckp n VAL 164 Cb 0.00 -0.02 -0.05 0.00 -1.06 0.00 0.00 33.84 32.72 1ckp n VAL 164 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1ckp s THR 165 N -1.30 4.84 -1.58 1.55 2.01 -1.26 -4.94 115.64 114.96 1ckp s THR 165 Ca 0.00 1.58 0.16 0.00 0.31 0.00 0.00 61.69 63.74 1ckp s THR 165 Cb 0.00 -4.09 0.01 0.00 0.01 0.00 0.00 72.50 68.43 1ckp s THR 165 CO 0.00 0.32 0.89 0.18 -0.69 0.00 0.00 174.62 175.32 1ckp n LEU 166 N 3.14 1.75 -0.10 4.42 4.77 -1.26 -4.67 117.00 125.05 1ckp n LEU 166 Ca -0.02 -0.80 0.26 0.00 -0.03 0.00 0.00 56.01 55.42 1ckp n LEU 166 Cb 0.51 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 42.31 1ckp n LEU 166 CO 0.47 0.33 1.23 -0.50 -1.33 0.00 0.00 177.39 177.60 1ckp h TRP 167 N 2.03 0.00 -0.38 -1.77 4.06 -1.82 -1.45 115.95 116.62 1ckp h TRP 167 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1ckp h TRP 167 Cb 0.58 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.74 1ckp h TRP 167 CO 0.00 0.00 0.00 0.66 -3.56 0.00 0.00 178.44 175.54 1ckp n TYR 168 N -4.18 0.55 -2.47 0.49 4.01 -1.26 -4.51 117.16 109.79 1ckp n TYR 168 Ca 0.15 -0.52 -0.42 0.00 -0.16 0.00 0.00 57.90 56.95 1ckp n TYR 168 Cb 0.85 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.81 1ckp n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1ckp s ARG 169 N -1.11 4.43 0.58 -0.72 3.52 -0.55 -3.98 118.95 121.13 1ckp s ARG 169 Ca 0.27 1.70 -0.19 0.00 -0.13 0.00 0.00 55.73 57.38 1ckp s ARG 169 Cb 0.15 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 1ckp s ARG 169 CO 0.17 -0.28 1.21 0.00 -0.81 0.00 0.00 175.30 175.59 1ckp s ALA 170 N 1.34 2.59 0.34 6.12 0.00 -1.26 -4.91 121.76 125.98 1ckp s ALA 170 Ca 0.57 1.02 0.04 0.00 0.00 0.00 0.00 51.96 53.59 1ckp s ALA 170 Cb -0.27 -3.45 0.61 0.00 0.00 0.00 0.00 23.12 20.01 1ckp s ALA 170 CO 0.27 -1.13 1.90 -1.00 0.00 0.00 0.00 175.76 175.80 1ckp h PRO 171 N 0.99 0.57 -0.02 0.00 0.13 -1.94 -2.69 132.00 129.04 1ckp h PRO 171 Ca -0.50 -0.11 -0.03 0.00 -0.87 0.00 0.00 66.00 64.49 1ckp h PRO 171 Cb 1.29 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1ckp h PRO 171 CO 0.56 0.55 -0.14 1.05 -0.23 0.00 0.00 178.00 179.79 1ckp h GLU 172 N 0.56 0.03 -0.16 0.86 9.09 -1.92 0.19 114.58 123.24 1ckp h GLU 172 Ca 0.13 -0.01 -0.09 0.00 0.05 0.00 0.00 59.36 59.44 1ckp h GLU 172 Cb 0.26 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.35 1ckp h GLU 172 CO 0.00 0.17 -0.25 0.82 0.05 0.00 0.00 179.01 179.80 1ckp h ILE 173 N 0.03 1.35 0.00 -1.06 2.04 -1.74 -0.05 117.51 118.08 1ckp h ILE 173 Ca 0.01 -1.48 -0.05 0.00 1.00 0.00 0.00 64.86 64.34 1ckp h ILE 173 Cb 0.27 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 1ckp h ILE 173 CO 0.02 0.44 -0.22 -0.07 0.00 0.00 0.00 178.15 178.32 1ckp h LEU 174 N 0.08 0.00 -1.52 1.44 3.38 -0.95 -2.66 115.31 115.07 1ckp h LEU 174 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ckp h LEU 174 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1ckp h LEU 174 CO 0.06 0.22 0.00 0.18 0.09 0.00 0.00 178.44 178.99 1ckp n LEU 175 N -4.10 2.22 0.00 1.67 4.77 0.56 -4.84 117.00 117.28 1ckp n LEU 175 Ca -0.02 -1.11 0.00 0.00 -0.03 0.00 0.00 56.01 54.85 1ckp n LEU 175 Cb 0.29 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1ckp n LEU 175 CO 0.36 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1ckp n GLY 176 N 1.00 0.67 3.62 -0.72 0.00 -1.00 -1.31 105.19 107.45 1ckp n GLY 176 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1ckp n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ckp h LYS 178 N 13.31 0.00 -1.91 0.00 2.10 -1.94 -3.37 116.57 124.76 1ckp h LYS 178 Ca -0.45 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 57.62 1ckp h LYS 178 Cb 1.24 0.00 -0.42 0.00 -0.90 0.00 0.00 32.23 32.15 1ckp h LYS 178 CO 0.95 0.00 -0.72 0.66 -2.00 0.00 0.00 179.45 178.35 1ckp n TYR 179 N -2.79 3.57 -1.15 0.07 4.01 -1.26 -5.08 117.16 114.52 1ckp n TYR 179 Ca 0.03 -3.58 -0.30 0.00 -0.16 0.00 0.00 57.90 53.89 1ckp n TYR 179 Cb 0.51 -0.31 0.12 0.00 -0.31 0.00 0.00 39.34 39.36 1ckp n TYR 179 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 1ckp s TYR 180 N -3.46 2.33 0.00 -0.72 -0.85 -1.26 -5.06 117.35 108.33 1ckp s TYR 180 Ca 0.48 1.48 0.00 0.00 -0.52 0.00 0.00 57.07 58.50 1ckp s TYR 180 Cb 0.34 -3.12 0.00 0.00 0.38 0.00 0.00 41.96 39.56 1ckp s TYR 180 CO -0.15 -2.19 0.00 -1.13 -1.52 0.00 0.00 175.55 170.56 1ckp n SER 181 N -3.78 0.70 0.31 -0.18 3.41 -1.26 -4.99 113.62 107.84 1ckp n SER 181 Ca 0.09 -0.84 0.20 0.00 -0.26 0.00 0.00 58.87 58.05 1ckp n SER 181 Cb 0.54 0.00 1.01 0.00 -0.26 0.00 0.00 64.21 65.50 1ckp n SER 181 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1ckp h THR 182 N 0.30 0.12 -0.00 6.66 1.35 -1.97 -2.47 112.91 116.90 1ckp h THR 182 Ca 0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1ckp h THR 182 Cb 0.00 1.16 -0.00 0.00 -1.73 0.00 0.00 68.15 67.58 1ckp h THR 182 CO 0.00 0.02 0.01 0.00 -0.25 0.00 0.00 175.52 175.30 1ckp h ALA 183 N 1.98 1.06 -0.06 6.62 0.00 -1.94 -1.91 119.26 125.03 1ckp h ALA 183 Ca -0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1ckp h ALA 183 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ckp h ALA 183 CO 0.00 -0.02 -0.40 -0.39 0.00 0.00 0.00 179.25 178.45 1ckp h VAL 184 N 0.00 1.30 -0.04 0.00 -1.51 -1.83 -2.17 116.25 112.00 1ckp h VAL 184 Ca 0.00 -1.44 -0.18 0.00 -1.23 0.00 0.00 66.70 63.85 1ckp h VAL 184 Cb 0.03 1.71 -0.01 0.00 -2.13 0.00 0.00 31.29 30.89 1ckp h VAL 184 CO -0.00 0.42 -0.76 0.44 -1.23 0.00 0.00 177.57 176.45 1ckp h ASP 185 N 0.10 0.35 -0.45 4.19 3.32 -1.57 -1.98 116.42 120.37 1ckp h ASP 185 Ca 0.01 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 56.75 1ckp h ASP 185 Cb 0.75 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 1ckp h ASP 185 CO 0.06 0.98 0.03 0.40 -1.72 0.00 0.00 179.24 178.98 1ckp h ILE 186 N 0.19 1.26 0.03 0.35 1.08 -1.54 -1.03 117.51 117.84 1ckp h ILE 186 Ca -0.03 -0.99 -0.00 0.00 -0.39 0.00 0.00 64.86 63.45 1ckp h ILE 186 Cb 1.33 1.02 0.00 0.00 -3.07 0.00 0.00 36.82 36.10 1ckp h ILE 186 CO 0.12 0.34 -0.01 -0.25 -0.69 0.00 0.00 178.15 177.66 1ckp h TRP 187 N 0.62 -0.03 -0.24 1.37 2.91 -1.30 -0.79 115.95 118.50 1ckp h TRP 187 Ca 0.13 -0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.18 1ckp h TRP 187 Cb 0.45 0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 29.08 1ckp h TRP 187 CO 0.03 -0.02 0.05 0.77 -1.03 0.00 0.00 178.44 178.24 1ckp h SER 188 N -0.04 0.01 -0.40 2.65 0.02 -1.28 -1.96 113.55 112.56 1ckp h SER 188 Ca -0.00 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1ckp h SER 188 Cb 0.03 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1ckp h SER 188 CO 0.01 0.04 0.19 0.25 -1.14 0.00 0.00 176.83 176.18 1ckp h LEU 189 N 0.14 0.56 -0.94 5.07 5.85 -1.06 -1.72 115.31 123.21 1ckp h LEU 189 Ca 0.11 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1ckp h LEU 189 Cb 0.11 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1ckp h LEU 189 CO -0.14 0.49 0.20 1.23 -0.34 0.00 0.00 178.44 179.88 1ckp h GLY 190 N 0.75 1.04 1.26 3.75 0.00 -0.46 0.18 103.07 109.60 1ckp h GLY 190 Ca 0.15 -0.59 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 1ckp h GLY 190 CO -0.02 0.55 -0.10 0.00 0.00 0.00 0.00 176.54 176.98 1ckp h ILE 192 N 0.79 1.29 -0.01 0.00 2.04 -0.91 -1.89 117.51 118.82 1ckp h ILE 192 Ca 0.13 -1.75 0.01 0.00 1.00 0.00 0.00 64.86 64.25 1ckp h ILE 192 Cb 0.61 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1ckp h ILE 192 CO 0.04 0.56 -0.02 0.15 0.00 0.00 0.00 178.15 178.88 1ckp h PHE 193 N 0.57 -0.05 -0.97 1.37 3.57 -0.37 -0.80 116.94 120.25 1ckp h PHE 193 Ca 0.01 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1ckp h PHE 193 Cb 1.12 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.83 1ckp h PHE 193 CO 0.06 -0.03 0.63 0.00 -2.23 0.00 0.00 178.31 176.74 1ckp h ALA 194 N 0.98 1.28 -0.31 2.41 0.00 -1.23 -2.39 119.26 119.99 1ckp h ALA 194 Ca 0.01 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1ckp h ALA 194 Cb 0.05 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1ckp h ALA 194 CO -0.03 0.65 -0.09 1.49 0.00 0.00 0.00 179.25 181.28 1ckp h GLU 195 N 1.32 0.52 -0.41 0.00 4.81 -0.72 -0.33 114.58 119.77 1ckp h GLU 195 Ca 0.35 -0.14 -0.14 0.00 -0.13 0.00 0.00 59.36 59.31 1ckp h GLU 195 Cb -0.13 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1ckp h GLU 195 CO -0.07 0.61 -0.28 0.52 -0.73 0.00 0.00 179.01 179.06 1ckp h MET 196 N 0.49 0.90 0.08 1.92 2.86 -0.74 0.33 114.93 120.77 1ckp h MET 196 Ca 0.09 -0.43 -0.00 0.00 -2.06 0.00 0.00 59.70 57.30 1ckp h MET 196 Cb 0.45 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1ckp h MET 196 CO 0.02 1.08 -0.04 0.28 1.06 0.00 0.00 176.91 179.32 1ckp h VAL 197 N 0.72 1.11 0.00 -2.22 2.07 -1.13 -3.34 116.25 113.47 1ckp h VAL 197 Ca 0.08 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1ckp h VAL 197 Cb 0.86 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1ckp h VAL 197 CO 0.08 0.18 -0.84 0.71 0.02 0.00 0.00 177.57 177.71 1ckp h THR 198 N -0.44 0.00 -1.50 2.57 1.35 -1.13 -3.46 112.91 110.29 1ckp h THR 198 Ca -0.01 -0.97 -0.21 0.00 -0.55 0.00 0.00 66.41 64.68 1ckp h THR 198 Cb 0.37 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 1ckp h THR 198 CO 0.02 0.00 -0.27 0.54 -0.25 0.00 0.00 175.52 175.56 1ckp n ARG 199 N -2.70 -0.87 -3.73 4.72 1.74 0.10 -5.02 116.66 110.90 1ckp n ARG 199 Ca 0.01 0.50 -0.12 0.00 -0.77 0.00 0.00 57.85 57.46 1ckp n ARG 199 Cb 0.54 -4.57 -0.11 0.00 -1.02 0.00 0.00 32.46 27.30 1ckp n ARG 199 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1ckp s ARG 200 N -4.53 0.40 0.35 5.56 0.52 -1.22 -5.07 118.95 114.96 1ckp s ARG 200 Ca 0.00 0.58 -0.29 0.00 -0.52 0.00 0.00 55.73 55.50 1ckp s ARG 200 Cb -0.00 0.13 -0.11 0.00 0.52 0.00 0.00 34.95 35.49 1ckp s ARG 200 CO 0.01 -0.08 1.52 0.00 0.02 0.00 0.00 175.30 176.76 1ckp n ALA 201 N 3.30 2.44 0.27 2.13 0.00 -1.26 -4.22 120.51 123.16 1ckp n ALA 201 Ca -0.16 0.35 -0.15 0.00 0.00 0.00 0.00 53.44 53.48 1ckp n ALA 201 Cb 0.57 -2.43 -0.08 0.00 0.00 0.00 0.00 19.45 17.50 1ckp n ALA 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ckp h LEU 202 N 3.46 -0.58 -6.92 0.00 5.85 -1.92 -3.40 115.31 111.81 1ckp h LEU 202 Ca -0.50 -0.06 -0.61 0.00 0.84 0.00 0.00 57.88 57.55 1ckp h LEU 202 Cb 1.24 0.15 -0.41 0.00 0.37 0.00 0.00 40.66 42.01 1ckp h LEU 202 CO 0.68 -0.24 -0.71 -0.36 -0.34 0.00 0.00 178.44 177.47 1ckp s PHE 203 N -4.92 2.59 -0.93 1.25 0.08 -1.26 -5.02 117.98 109.76 1ckp s PHE 203 Ca -0.15 -2.88 -0.07 0.00 0.12 0.00 0.00 56.93 53.96 1ckp s PHE 203 Cb 0.02 -2.10 -0.10 0.00 -0.57 0.00 0.00 43.02 40.26 1ckp s PHE 203 CO 0.51 -0.68 2.61 -2.30 -0.10 0.00 0.00 175.22 175.26 1ckp n PRO 204 N 2.63 2.51 -1.97 0.24 -0.02 -1.26 -4.34 135.00 132.79 1ckp n PRO 204 Ca 0.18 -1.54 -0.39 0.00 -2.02 0.00 0.00 63.50 59.74 1ckp n PRO 204 Cb 0.38 -2.43 0.01 0.00 -0.02 0.00 0.00 33.50 31.44 1ckp n PRO 204 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ckp s GLY 205 N 2.68 2.89 -0.08 -1.23 0.00 -1.26 -4.93 107.32 105.38 1ckp s GLY 205 Ca 0.53 1.24 0.12 0.00 0.00 0.00 0.00 44.72 46.61 1ckp s GLY 205 CO -0.03 1.79 1.22 2.09 0.00 0.00 0.00 173.10 178.16 1ckp n ASP 206 N -0.36 2.84 -3.50 1.64 5.75 -1.26 -4.62 116.55 117.04 1ckp n ASP 206 Ca 0.06 -2.56 -0.09 0.00 -0.01 0.00 0.00 54.79 52.20 1ckp n ASP 206 Cb 0.44 -0.32 -0.02 0.00 -1.03 0.00 0.00 41.12 40.20 1ckp n ASP 206 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1ckp s SER 207 N -1.73 -0.37 0.24 -1.12 1.04 -1.26 -4.99 113.70 105.50 1ckp s SER 207 Ca 0.25 0.01 -0.06 0.00 0.48 0.00 0.00 55.95 56.64 1ckp s SER 207 Cb 0.19 0.39 0.29 0.00 0.10 0.00 0.00 66.02 67.00 1ckp s SER 207 CO 0.07 -0.63 1.89 -0.33 0.98 0.00 0.00 173.24 175.22 1ckp h GLU 208 N 2.02 1.12 -0.14 4.02 5.08 -1.99 0.11 114.58 124.80 1ckp h GLU 208 Ca -0.23 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 57.90 1ckp h GLU 208 Cb 1.24 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1ckp h GLU 208 CO 0.31 0.74 -0.61 0.97 -1.00 0.00 0.00 179.01 179.42 1ckp h ILE 209 N 1.15 1.34 -0.43 3.13 6.09 -1.97 -1.86 117.51 124.97 1ckp h ILE 209 Ca 0.37 -1.91 -0.12 0.00 -1.37 0.00 0.00 64.86 61.82 1ckp h ILE 209 Cb 0.01 1.90 -0.01 0.00 0.47 0.00 0.00 36.82 39.18 1ckp h ILE 209 CO -0.12 0.59 -0.22 -0.78 -3.07 0.00 0.00 178.15 174.54 1ckp h ASP 210 N 0.36 0.89 0.12 2.19 3.58 -1.79 -0.35 116.42 121.41 1ckp h ASP 210 Ca -0.01 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 57.11 1ckp h ASP 210 Cb 1.16 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.97 1ckp h ASP 210 CO 0.11 1.07 -0.06 -0.61 -2.88 0.00 0.00 179.24 176.88 1ckp h GLN 211 N 0.76 -0.15 -0.31 0.28 5.75 -0.67 -0.21 115.11 120.55 1ckp h GLN 211 Ca 0.10 0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.65 1ckp h GLN 211 Cb 0.76 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.31 1ckp h GLN 211 CO 0.06 -0.00 0.08 1.25 -2.65 0.00 0.00 178.83 177.57 1ckp h LEU 212 N -0.28 0.05 -1.09 -2.39 5.85 -1.21 -1.54 115.31 114.70 1ckp h LEU 212 Ca -0.02 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1ckp h LEU 212 Cb 0.23 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1ckp h LEU 212 CO 0.03 0.06 -0.35 -0.26 -0.34 0.00 0.00 178.44 177.58 1ckp h PHE 213 N 0.20 0.00 -0.49 1.25 -1.00 -1.00 -0.69 116.94 115.21 1ckp h PHE 213 Ca 0.14 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.79 1ckp h PHE 213 Cb 0.14 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.69 1ckp h PHE 213 CO -0.16 0.35 -0.21 0.00 -1.61 0.00 0.00 178.31 176.68 1ckp h ARG 214 N 0.00 1.00 -0.25 1.51 3.08 -0.38 0.47 114.38 119.81 1ckp h ARG 214 Ca -0.00 -0.42 -0.03 0.00 0.07 0.00 0.00 59.98 59.59 1ckp h ARG 214 Cb 0.80 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1ckp h ARG 214 CO 0.05 1.10 0.02 0.82 -1.07 0.00 0.00 179.97 180.89 1ckp h ILE 215 N 0.86 1.24 -0.46 2.04 2.04 -0.98 -2.90 117.51 119.35 1ckp h ILE 215 Ca 0.11 -0.84 0.04 0.00 1.00 0.00 0.00 64.86 65.18 1ckp h ILE 215 Cb 0.79 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 1ckp h ILE 215 CO 0.07 0.27 0.21 -0.26 0.00 0.00 0.00 178.15 178.43 1ckp h PHE 216 N 0.22 0.39 -0.05 1.37 0.04 -0.91 0.18 116.94 118.19 1ckp h PHE 216 Ca 0.07 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.84 1ckp h PHE 216 Cb 0.37 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 1ckp h PHE 216 CO 0.03 0.18 -0.10 0.00 -0.60 0.00 0.00 178.31 177.82 1ckp h ARG 217 N 0.42 0.07 0.00 1.51 3.08 -0.86 0.48 114.38 119.08 1ckp h ARG 217 Ca 0.20 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 60.09 1ckp h ARG 217 Cb 0.14 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1ckp h ARG 217 CO -0.16 0.17 -0.97 1.15 -1.07 0.00 0.00 179.97 179.09 1ckp h THR 218 N 0.07 0.66 -0.01 2.04 2.02 -1.18 -3.40 112.91 113.11 1ckp h THR 218 Ca 0.01 -1.82 0.00 0.00 0.77 0.00 0.00 66.41 65.38 1ckp h THR 218 Cb 0.22 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1ckp h THR 218 CO 0.01 0.22 -0.06 0.18 0.37 0.00 0.00 175.52 176.25 1ckp n LEU 219 N -4.50 1.34 0.00 2.58 4.77 0.58 -0.77 117.00 121.00 1ckp n LEU 219 Ca -0.23 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1ckp n LEU 219 Cb 0.54 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1ckp n LEU 219 CO 0.16 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1ckp n GLY 220 N 1.21 -0.91 3.67 -0.72 0.00 0.17 -4.42 105.19 104.19 1ckp n GLY 220 Ca 0.17 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 1ckp n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ckp s THR 221 N -3.22 3.97 0.44 2.61 2.01 -0.54 -4.53 115.64 116.38 1ckp s THR 221 Ca 0.00 1.25 -0.24 0.00 0.31 0.00 0.00 61.69 63.01 1ckp s THR 221 Cb 0.00 -3.80 -0.08 0.00 0.01 0.00 0.00 72.50 68.63 1ckp s THR 221 CO 0.00 -0.06 1.26 -2.16 -0.69 0.00 0.00 174.62 172.97 1ckp s PRO 222 N 3.10 3.77 0.13 4.92 0.04 -1.26 -4.84 135.00 140.86 1ckp s PRO 222 Ca 0.61 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.70 1ckp s PRO 222 Cb -0.27 -2.56 -0.01 0.00 0.04 0.00 0.00 34.50 31.70 1ckp s PRO 222 CO 0.22 -0.61 0.06 -0.40 0.04 0.00 0.00 177.00 176.31 1ckp n ASP 223 N -0.26 0.67 0.27 6.66 5.68 -1.26 -4.93 116.55 123.39 1ckp n ASP 223 Ca 0.06 -1.71 0.15 0.00 -0.50 0.00 0.00 54.79 52.79 1ckp n ASP 223 Cb 0.45 0.40 0.70 0.00 -1.14 0.00 0.00 41.12 41.53 1ckp n ASP 223 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1ckp h GLU 224 N 0.00 0.00 0.49 0.11 4.39 -1.97 0.04 114.58 117.64 1ckp h GLU 224 Ca -0.10 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1ckp h GLU 224 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1ckp h GLU 224 CO 0.15 0.09 -0.23 0.28 -1.16 0.00 0.00 179.01 178.14 1ckp h VAL 225 N 0.00 0.00 -0.01 3.13 2.07 -1.99 -3.07 116.25 116.37 1ckp h VAL 225 Ca -0.00 -0.33 -0.16 0.00 0.82 0.00 0.00 66.70 67.03 1ckp h VAL 225 Cb 0.47 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1ckp h VAL 225 CO 0.01 0.00 -0.74 -0.37 0.02 0.00 0.00 177.57 176.49 1ckp h VAL 226 N -0.99 1.49 -2.68 2.57 -1.51 -1.97 -3.39 116.25 109.77 1ckp h VAL 226 Ca -0.07 -2.43 -0.60 0.00 -1.23 0.00 0.00 66.70 62.38 1ckp h VAL 226 Cb 0.50 2.31 -0.39 0.00 -2.13 0.00 0.00 31.29 31.58 1ckp h VAL 226 CO 0.11 0.70 -0.83 0.86 -1.23 0.00 0.00 177.57 177.18 1ckp s TRP 227 N -3.39 1.60 -0.12 5.19 -0.11 -0.00 -4.40 118.94 117.71 1ckp s TRP 227 Ca -0.02 -2.34 -0.34 0.00 1.22 0.00 0.00 56.10 54.62 1ckp s TRP 227 Cb 0.11 -1.43 -0.12 0.00 -1.50 0.00 0.00 33.47 30.53 1ckp s TRP 227 CO 0.80 -0.78 1.90 -2.30 -4.62 0.00 0.00 176.95 171.95 1ckp n PRO 228 N 3.17 2.07 -0.26 5.86 -0.02 -1.16 -1.05 135.00 143.61 1ckp n PRO 228 Ca 0.19 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1ckp n PRO 228 Cb 0.40 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 1ckp n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ckp n GLY 229 N 4.52 0.74 0.21 -1.23 0.00 -1.26 -4.98 105.19 103.18 1ckp n GLY 229 Ca 0.24 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 1ckp n GLY 229 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ckp h VAL 230 N 0.00 1.22 0.00 1.61 3.04 -1.37 -2.67 116.25 118.08 1ckp h VAL 230 Ca 0.00 -0.73 0.00 0.00 -1.01 0.00 0.00 66.70 64.96 1ckp h VAL 230 Cb 0.00 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 30.18 1ckp h VAL 230 CO 0.00 0.26 0.00 0.35 -1.01 0.00 0.00 177.57 177.17 1ckp n THR 231 N -4.57 1.22 0.96 3.17 -2.24 -1.26 -1.08 114.28 110.48 1ckp n THR 231 Ca 0.00 0.54 0.11 0.00 -2.27 0.00 0.00 64.05 62.44 1ckp n THR 231 Cb 0.19 -1.51 0.13 0.00 -2.10 0.00 0.00 70.33 67.04 1ckp n THR 231 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ckp n SER 232 N -2.01 0.65 -4.72 3.42 7.64 -1.01 -4.87 113.62 112.72 1ckp n SER 232 Ca 0.00 -0.45 -0.40 0.00 1.01 0.00 0.00 58.87 59.04 1ckp n SER 232 Cb 0.08 0.50 0.03 0.00 -1.01 0.00 0.00 64.21 63.80 1ckp n SER 232 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1ckp n MET 233 N -1.55 1.86 -0.21 1.43 2.81 -0.24 -4.92 117.12 116.29 1ckp n MET 233 Ca 0.05 0.67 -0.06 0.00 -1.81 0.00 0.00 57.70 56.55 1ckp n MET 233 Cb 0.34 -2.49 -0.01 0.00 -0.71 0.00 0.00 33.22 30.35 1ckp n MET 233 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1ckp h PRO 234 N 1.80 -0.17 -0.31 0.03 0.11 -1.84 -2.29 132.00 129.33 1ckp h PRO 234 Ca -0.50 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ckp h PRO 234 Cb 1.30 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1ckp h PRO 234 CO 0.59 -0.11 0.00 -0.25 -0.21 0.00 0.00 178.00 178.01 1ckp n ASP 235 N -5.43 1.99 -4.75 -2.05 8.00 -0.43 -4.90 116.55 108.99 1ckp n ASP 235 Ca 0.04 -1.90 -0.41 0.00 0.71 0.00 0.00 54.79 53.23 1ckp n ASP 235 Cb 0.36 -0.21 -0.04 0.00 -0.02 0.00 0.00 41.12 41.21 1ckp n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1ckp s TYR 236 N -1.59 3.53 -0.08 1.24 5.04 -0.86 -4.94 117.35 119.70 1ckp s TYR 236 Ca 0.29 1.60 0.02 0.00 -2.44 0.00 0.00 57.07 56.54 1ckp s TYR 236 Cb 0.15 -3.33 0.01 0.00 0.35 0.00 0.00 41.96 39.15 1ckp s TYR 236 CO 0.21 -0.75 -0.14 0.15 -1.34 0.00 0.00 175.55 173.68 1ckp s LYS 237 N -0.91 1.97 0.62 4.97 -0.14 -1.26 -4.94 119.74 120.05 1ckp s LYS 237 Ca 0.48 -0.50 0.35 0.00 -1.36 0.00 0.00 55.97 54.93 1ckp s LYS 237 Cb -0.32 -1.60 1.99 0.00 -1.68 0.00 0.00 37.83 36.23 1ckp s LYS 237 CO 0.39 0.04 2.25 -1.35 -0.76 0.00 0.00 175.35 175.92 1ckp h PRO 238 N 6.99 0.00 0.00 -1.68 0.11 -1.96 -1.10 132.00 134.36 1ckp h PRO 238 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1ckp h PRO 238 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ckp h PRO 238 CO 0.47 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.13 1ckp n SER 239 N -3.53 0.00 -4.73 -2.05 3.41 -1.26 -4.84 113.62 100.62 1ckp n SER 239 Ca -0.02 -0.84 -0.42 0.00 -0.26 0.00 0.00 58.87 57.33 1ckp n SER 239 Cb 0.13 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.06 1ckp n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ckp n PHE 240 N -1.00 2.74 -1.98 7.33 3.72 -0.42 -4.92 117.46 122.93 1ckp n PHE 240 Ca 0.20 0.17 -0.38 0.00 -0.05 0.00 0.00 57.45 57.40 1ckp n PHE 240 Cb 0.09 -2.62 0.02 0.00 -0.94 0.00 0.00 39.48 36.03 1ckp n PHE 240 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1ckp s PRO 241 N 0.33 3.33 -0.66 -1.08 0.02 -1.26 -4.96 135.00 130.71 1ckp s PRO 241 Ca 0.70 2.01 -0.18 0.00 0.02 0.00 0.00 61.00 63.56 1ckp s PRO 241 Cb -0.52 -2.26 0.13 0.00 0.02 0.00 0.00 34.50 31.87 1ckp s PRO 241 CO 0.41 -0.97 0.73 0.15 -0.33 0.00 0.00 177.00 176.99 1ckp s LYS 242 N -2.89 3.20 0.26 5.54 -0.14 -1.26 -4.78 119.74 119.66 1ckp s LYS 242 Ca 0.70 -1.63 -0.07 0.00 -1.36 0.00 0.00 55.97 53.60 1ckp s LYS 242 Cb -0.35 -4.38 -0.06 0.00 -1.68 0.00 0.00 37.83 31.37 1ckp s LYS 242 CO 0.41 -1.49 0.55 -1.58 -0.76 0.00 0.00 175.35 172.47 1ckp s TRP 243 N 2.07 3.46 0.16 3.18 0.51 -1.26 -4.91 118.94 122.15 1ckp s TRP 243 Ca 0.14 0.73 -0.14 0.00 -2.12 0.00 0.00 56.10 54.71 1ckp s TRP 243 Cb -0.20 -2.16 -0.07 0.00 -0.81 0.00 0.00 33.47 30.22 1ckp s TRP 243 CO 0.01 0.22 0.56 0.00 -0.51 0.00 0.00 176.95 177.23 1ckp s ALA 244 N -1.97 3.57 0.18 0.98 0.00 -1.26 -1.46 121.76 121.80 1ckp s ALA 244 Ca 0.45 -0.13 -0.31 0.00 0.00 0.00 0.00 51.96 51.98 1ckp s ALA 244 Cb -0.11 -2.53 -0.09 0.00 0.00 0.00 0.00 23.12 20.39 1ckp s ALA 244 CO 0.26 0.45 1.40 0.50 0.00 0.00 0.00 175.76 178.38 1ckp s ARG 245 N -2.06 4.31 0.34 0.00 3.52 -1.26 -4.10 118.95 119.70 1ckp s ARG 245 Ca 0.39 2.17 -0.16 0.00 -0.13 0.00 0.00 55.73 58.01 1ckp s ARG 245 Cb -0.15 -3.18 -0.09 0.00 -1.56 0.00 0.00 34.95 29.97 1ckp s ARG 245 CO 0.19 -0.40 0.77 -0.65 -0.81 0.00 0.00 175.30 174.40 1ckp s GLN 246 N 0.35 4.02 -0.05 5.12 -1.52 0.05 -4.88 119.66 122.75 1ckp s GLN 246 Ca 0.62 0.72 -0.33 0.00 -1.95 0.00 0.00 55.36 54.42 1ckp s GLN 246 Cb -0.39 -2.39 -0.11 0.00 -0.22 0.00 0.00 33.01 29.90 1ckp s GLN 246 CO 0.36 0.12 1.90 -3.47 -0.25 0.00 0.00 175.29 173.95 1ckp n ASP 247 N -0.46 3.66 0.25 5.90 -0.08 -1.26 -4.84 116.55 119.72 1ckp n ASP 247 Ca 0.04 0.96 0.17 0.00 -1.51 0.00 0.00 54.79 54.45 1ckp n ASP 247 Cb 0.53 -1.42 0.90 0.00 2.34 0.00 0.00 41.12 43.47 1ckp n ASP 247 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1ckp h PHE 248 N 9.52 0.00 0.00 -0.67 3.04 -1.94 -1.02 116.94 125.88 1ckp h PHE 248 Ca -0.49 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.46 1ckp h PHE 248 Cb 1.26 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.77 1ckp h PHE 248 CO 0.90 0.00 0.00 -1.13 -2.02 0.00 0.00 178.31 176.06 1ckp n SER 249 N -3.65 0.35 0.02 0.41 3.41 -1.26 -1.87 113.62 111.03 1ckp n SER 249 Ca -0.00 0.57 0.11 0.00 -0.26 0.00 0.00 58.87 59.29 1ckp n SER 249 Cb 0.24 -0.65 0.05 0.00 -0.26 0.00 0.00 64.21 63.60 1ckp n SER 249 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1ckp n LYS 250 N -1.87 0.23 0.00 4.33 4.81 -0.39 -3.95 118.16 121.33 1ckp n LYS 250 Ca 0.04 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.27 1ckp n LYS 250 Cb 0.26 -1.58 -0.14 0.00 0.02 0.00 0.00 35.03 33.59 1ckp n LYS 250 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1ckp h VAL 251 N 0.00 1.14 -1.19 3.15 2.07 -1.41 -3.41 116.25 116.60 1ckp h VAL 251 Ca 0.00 -2.40 -0.49 0.00 0.82 0.00 0.00 66.70 64.63 1ckp h VAL 251 Cb 0.69 2.79 -0.41 0.00 -1.52 0.00 0.00 31.29 32.83 1ckp h VAL 251 CO 0.00 0.67 -0.90 1.33 0.02 0.00 0.00 177.57 178.69 1ckp n VAL 252 N -4.03 1.93 -2.36 2.57 0.24 -1.19 -4.98 118.33 110.49 1ckp n VAL 252 Ca -0.23 -4.17 -0.38 0.00 -2.04 0.00 0.00 64.34 57.53 1ckp n VAL 252 Cb 0.85 -0.52 -0.03 0.00 -1.47 0.00 0.00 33.84 32.67 1ckp n VAL 252 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1ckp s PRO 253 N -3.45 4.10 -0.62 7.34 0.04 -1.25 -0.45 135.00 140.71 1ckp s PRO 253 Ca 0.41 1.75 0.01 0.00 0.04 0.00 0.00 61.00 63.21 1ckp s PRO 253 Cb 0.41 -2.66 0.42 0.00 0.04 0.00 0.00 34.50 32.71 1ckp s PRO 253 CO -0.08 -0.26 1.72 -0.35 0.04 0.00 0.00 177.00 178.07 1ckp n PRO 254 N 0.08 3.00 -1.73 0.56 -0.04 -1.26 -4.74 135.00 130.87 1ckp n PRO 254 Ca 0.04 -3.73 -0.42 0.00 -0.04 0.00 0.00 63.50 59.35 1ckp n PRO 254 Cb 0.47 -2.28 -0.02 0.00 -0.04 0.00 0.00 33.50 31.64 1ckp n PRO 254 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1ckp n LEU 255 N -0.69 4.11 -4.51 1.53 7.94 0.41 -4.96 117.00 120.84 1ckp n LEU 255 Ca 0.53 1.14 -0.28 0.00 -1.11 0.00 0.00 56.01 56.29 1ckp n LEU 255 Cb 0.58 -1.56 0.24 0.00 0.53 0.00 0.00 43.42 43.21 1ckp n LEU 255 CO 0.56 0.03 0.53 1.51 -1.11 0.00 0.00 177.39 178.91 1ckp s ASP 256 N 0.48 1.07 0.33 1.96 1.47 -1.26 -4.64 116.67 116.08 1ckp s ASP 256 Ca 0.65 1.34 0.03 0.00 1.18 0.00 0.00 52.55 55.76 1ckp s ASP 256 Cb -0.52 -2.08 0.64 0.00 -0.34 0.00 0.00 42.92 40.61 1ckp s ASP 256 CO 0.48 -4.12 1.92 -0.08 0.68 0.00 0.00 175.17 174.06 1ckp h GLU 257 N -2.57 0.87 -0.16 2.11 4.57 -1.98 -0.56 114.58 116.86 1ckp h GLU 257 Ca -0.60 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 57.51 1ckp h GLU 257 Cb 1.34 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 1ckp h GLU 257 CO 0.51 0.57 0.03 -0.44 -1.18 0.00 0.00 179.01 178.51 1ckp h ASP 258 N 0.89 0.25 -0.65 1.04 3.32 -1.98 -0.05 116.42 119.24 1ckp h ASP 258 Ca 0.37 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 1ckp h ASP 258 Cb 0.28 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1ckp h ASP 258 CO -0.14 0.42 0.24 1.23 -1.72 0.00 0.00 179.24 179.28 1ckp h GLY 259 N 0.06 1.05 1.47 2.75 0.00 -1.77 -1.02 103.07 105.62 1ckp h GLY 259 Ca 0.05 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 46.72 1ckp h GLY 259 CO 0.00 0.56 -0.06 3.21 0.00 0.00 0.00 176.54 180.25 1ckp h ARG 260 N 0.92 0.64 0.23 4.80 3.08 -1.04 0.16 114.38 123.17 1ckp h ARG 260 Ca 0.21 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1ckp h ARG 260 Cb 0.24 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1ckp h ARG 260 CO -0.01 0.70 -0.11 1.03 -1.07 0.00 0.00 179.97 180.51 1ckp h SER 261 N 0.60 -0.26 0.04 7.04 0.87 -0.65 -1.18 113.55 120.00 1ckp h SER 261 Ca 0.11 -0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1ckp h SER 261 Cb 0.46 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 1ckp h SER 261 CO 0.02 -0.02 -0.09 0.25 -0.53 0.00 0.00 176.83 176.46 1ckp h LEU 262 N -0.50 -0.25 -0.88 2.23 5.85 -0.99 -2.14 115.31 118.63 1ckp h LEU 262 Ca -0.03 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.82 1ckp h LEU 262 Cb 0.38 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.43 1ckp h LEU 262 CO 0.05 -0.13 0.52 0.25 -0.34 0.00 0.00 178.44 178.79 1ckp h LEU 263 N -0.18 0.76 -1.09 2.25 5.85 -0.64 -0.54 115.31 121.71 1ckp h LEU 263 Ca 0.02 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 1ckp h LEU 263 Cb 0.19 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1ckp h LEU 263 CO -0.06 0.43 -0.11 0.77 -0.34 0.00 0.00 178.44 179.13 1ckp h SER 264 N 0.87 0.50 0.42 1.25 4.64 -0.89 -1.13 113.55 119.20 1ckp h SER 264 Ca 0.42 -0.12 -0.13 0.00 -0.47 0.00 0.00 61.79 61.48 1ckp h SER 264 Cb 0.38 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1ckp h SER 264 CO -0.25 0.64 -0.58 1.56 -0.87 0.00 0.00 176.83 177.34 1ckp h GLN 265 N 0.48 0.16 0.00 4.77 4.20 -0.57 -2.80 115.11 121.36 1ckp h GLN 265 Ca 0.09 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1ckp h GLN 265 Cb 0.48 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1ckp h GLN 265 CO 0.03 0.69 0.00 0.52 -0.67 0.00 0.00 178.83 179.40 1ckp h MET 266 N 0.12 0.00 -0.40 1.46 2.86 -0.65 -2.57 114.93 115.76 1ckp h MET 266 Ca -0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1ckp h MET 266 Cb 1.05 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.68 1ckp h MET 266 CO 0.08 0.00 0.03 1.28 1.06 0.00 0.00 176.91 179.37 1ckp n LEU 267 N -3.09 4.59 -4.75 1.22 4.77 -0.47 -3.88 117.00 115.38 1ckp n LEU 267 Ca 0.03 -3.10 -0.41 0.00 -0.03 0.00 0.00 56.01 52.50 1ckp n LEU 267 Cb 0.48 -0.61 -0.02 0.00 -2.33 0.00 0.00 43.42 40.94 1ckp n LEU 267 CO 0.32 0.74 1.10 -1.00 -1.33 0.00 0.00 177.39 177.22 1ckp s HIS 268 N -2.88 3.01 0.08 -1.77 3.76 -1.09 -4.94 115.29 111.46 1ckp s HIS 268 Ca 0.47 1.04 -0.31 0.00 -0.15 0.00 0.00 55.06 56.11 1ckp s HIS 268 Cb 0.38 -3.82 -0.17 0.00 1.11 0.00 0.00 32.58 30.07 1ckp s HIS 268 CO 0.10 -2.66 1.65 1.88 -0.85 0.00 0.00 174.74 174.86 1ckp h TYR 269 N 4.97 -0.70 -2.35 1.40 0.05 -1.91 -3.41 116.97 115.02 1ckp h TYR 269 Ca -0.46 -0.01 -0.58 0.00 0.05 0.00 0.00 58.73 57.73 1ckp h TYR 269 Cb 1.22 0.24 -0.02 0.00 1.01 0.00 0.00 36.73 39.18 1ckp h TYR 269 CO 0.60 -0.42 1.38 0.34 -1.05 0.00 0.00 178.16 179.00 1ckp s ASP 270 N -4.57 5.65 0.49 3.88 -1.08 -1.26 -4.85 116.67 114.92 1ckp s ASP 270 Ca -0.17 1.51 0.26 0.00 -0.52 0.00 0.00 52.55 53.63 1ckp s ASP 270 Cb 0.04 -2.52 1.33 0.00 -1.46 0.00 0.00 42.92 40.31 1ckp s ASP 270 CO 0.63 -1.87 1.86 -0.65 0.52 0.00 0.00 175.17 175.66 1ckp h PRO 271 N 14.03 0.16 0.00 4.34 0.11 -1.96 0.19 132.00 148.87 1ckp h PRO 271 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1ckp h PRO 271 Cb 1.20 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ckp h PRO 271 CO 1.01 0.11 0.00 -0.97 -0.21 0.00 0.00 178.00 177.94 1ckp h ASN 272 N 0.16 0.00 0.11 -2.05 -0.73 -1.95 -3.18 115.58 107.95 1ckp h ASN 272 Ca 0.47 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.64 1ckp h ASN 272 Cb 1.58 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.17 1ckp h ASN 272 CO -0.09 0.00 -1.65 0.29 -0.37 0.00 0.00 177.43 175.61 1ckp n LYS 273 N -3.09 0.50 -1.78 6.67 4.76 0.56 -4.95 118.16 120.83 1ckp n LYS 273 Ca 0.03 -0.12 -0.41 0.00 -2.87 0.00 0.00 58.31 54.94 1ckp n LYS 273 Cb 0.47 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 1ckp n LYS 273 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1ckp s ARG 274 N -3.38 4.01 0.34 1.97 3.52 -0.49 -4.92 118.95 120.01 1ckp s ARG 274 Ca -0.03 2.57 -0.29 0.00 -0.13 0.00 0.00 55.73 57.85 1ckp s ARG 274 Cb 0.14 -2.90 -0.11 0.00 -1.56 0.00 0.00 34.95 30.52 1ckp s ARG 274 CO 0.88 -0.61 1.42 -1.50 -0.81 0.00 0.00 175.30 174.68 1ckp s ILE 275 N -1.13 2.35 0.70 4.11 2.07 -0.97 -5.02 121.20 123.31 1ckp s ILE 275 Ca 0.55 0.35 -0.10 0.00 -1.41 0.00 0.00 60.65 60.03 1ckp s ILE 275 Cb -0.46 -3.22 0.02 0.00 0.13 0.00 0.00 42.46 38.93 1ckp s ILE 275 CO 0.62 0.08 1.07 -0.94 -1.91 0.00 0.00 174.94 173.87 1ckp s SER 276 N -0.18 5.34 0.17 4.50 1.04 -1.26 -4.89 113.70 118.42 1ckp s SER 276 Ca 0.53 1.00 -0.12 0.00 0.48 0.00 0.00 55.95 57.83 1ckp s SER 276 Cb -0.44 -1.79 0.06 0.00 0.10 0.00 0.00 66.02 63.96 1ckp s SER 276 CO 0.57 -1.37 1.72 0.00 0.98 0.00 0.00 173.24 175.14 1ckp h ALA 277 N -0.62 0.74 0.17 5.32 0.00 -1.94 -0.63 119.26 122.31 1ckp h ALA 277 Ca -0.45 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1ckp h ALA 277 Cb 1.26 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1ckp h ALA 277 CO 0.63 0.36 -0.17 -0.22 0.00 0.00 0.00 179.25 179.85 1ckp h LYS 278 N 0.78 -0.36 -0.80 0.00 1.63 -1.92 -2.09 116.57 113.81 1ckp h LYS 278 Ca 0.19 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.99 1ckp h LYS 278 Cb 0.20 0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.88 1ckp h LYS 278 CO -0.02 -0.24 0.42 0.00 -3.45 0.00 0.00 179.45 176.17 1ckp h ALA 279 N 0.41 1.03 -0.64 5.00 0.00 -1.91 -2.52 119.26 120.62 1ckp h ALA 279 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1ckp h ALA 279 Cb 0.36 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1ckp h ALA 279 CO -0.04 0.55 0.42 0.00 0.00 0.00 0.00 179.25 180.18 1ckp h ALA 280 N 1.22 1.69 0.00 0.00 0.00 -0.81 -0.05 119.26 121.32 1ckp h ALA 280 Ca 0.28 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1ckp h ALA 280 Cb 0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1ckp h ALA 280 CO -0.04 0.23 -0.02 -0.07 0.00 0.00 0.00 179.25 179.36 1ckp h LEU 281 N 0.72 0.00 -0.26 0.00 3.38 -0.92 -1.07 115.31 117.16 1ckp h LEU 281 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1ckp h LEU 281 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1ckp h LEU 281 CO -0.08 0.02 -0.41 0.00 0.09 0.00 0.00 178.44 178.06 1ckp n ALA 282 N -2.14 3.38 -1.77 1.53 0.00 -0.04 -4.86 120.51 116.61 1ckp n ALA 282 Ca -0.02 -0.39 -0.41 0.00 0.00 0.00 0.00 53.44 52.61 1ckp n ALA 282 Cb 0.13 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 1ckp n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ckp s HIS 283 N -2.75 2.64 0.63 0.00 5.04 -0.41 -4.85 115.29 115.58 1ckp s HIS 283 Ca 0.17 0.99 0.26 0.00 -1.54 0.00 0.00 55.06 54.94 1ckp s HIS 283 Cb 0.18 -4.06 1.29 0.00 0.04 0.00 0.00 32.58 30.03 1ckp s HIS 283 CO 0.62 -3.31 1.73 -1.35 -2.34 0.00 0.00 174.74 170.09 1ckp h PRO 284 N 3.77 0.00 -0.63 2.88 0.11 -1.92 -0.94 132.00 135.27 1ckp h PRO 284 Ca -0.49 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.75 1ckp h PRO 284 Cb 1.23 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 1ckp h PRO 284 CO 0.71 0.00 0.43 0.35 -0.21 0.00 0.00 178.00 179.28 1ckp h PHE 285 N 0.00 0.34 -0.34 0.65 3.57 -1.89 -0.59 116.94 118.68 1ckp h PHE 285 Ca 0.15 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1ckp h PHE 285 Cb 1.33 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1ckp h PHE 285 CO 0.00 0.14 0.00 1.19 -2.23 0.00 0.00 178.31 177.41 1ckp n PHE 286 N -4.45 0.44 -0.15 0.41 3.72 -0.36 -4.37 117.46 112.70 1ckp n PHE 286 Ca 0.11 -0.22 0.15 0.00 -0.05 0.00 0.00 57.45 57.44 1ckp n PHE 286 Cb 0.49 0.00 0.50 0.00 -0.94 0.00 0.00 39.48 39.53 1ckp n PHE 286 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1ckp h GLN 287 N 2.99 0.41 -0.35 -1.08 4.15 -1.24 -1.97 115.11 118.01 1ckp h GLN 287 Ca 0.00 -0.02 -0.19 0.00 0.77 0.00 0.00 58.65 59.20 1ckp h GLN 287 Cb 0.67 -0.09 -0.12 0.00 0.21 0.00 0.00 27.48 28.15 1ckp h GLN 287 CO 0.00 0.27 -0.16 -0.40 -1.93 0.00 0.00 178.83 176.61 1ckp n ASP 288 N -4.48 2.60 -4.77 -0.69 5.75 -1.26 -5.04 116.55 108.66 1ckp n ASP 288 Ca 0.14 -3.81 -0.41 0.00 -0.01 0.00 0.00 54.79 50.70 1ckp n ASP 288 Cb 0.50 -0.62 -0.03 0.00 -1.03 0.00 0.00 41.12 39.95 1ckp n ASP 288 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ckp s VAL 289 N -3.37 2.90 0.37 2.12 0.11 -0.74 -5.04 120.40 116.75 1ckp s VAL 289 Ca 0.45 0.90 0.04 0.00 -2.93 0.00 0.00 61.98 60.44 1ckp s VAL 289 Cb 0.41 -3.57 -0.03 0.00 -1.53 0.00 0.00 36.38 31.65 1ckp s VAL 289 CO -0.01 0.21 0.13 0.42 -3.33 0.00 0.00 175.10 172.52 1ckp s THR 290 N -1.15 0.62 -0.65 5.04 -4.23 -1.26 -5.09 115.64 108.92 1ckp s THR 290 Ca 0.48 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.04 1ckp s THR 290 Cb -0.38 -2.46 0.20 0.00 1.34 0.00 0.00 72.50 71.21 1ckp s THR 290 CO 0.50 0.00 0.58 1.17 -0.54 0.00 0.00 174.62 176.33 1ckp n LYS 291 N -0.80 1.97 -1.76 3.99 4.81 -1.26 -4.38 118.16 120.72 1ckp n LYS 291 Ca -0.04 -4.44 -0.31 0.00 -0.87 0.00 0.00 58.31 52.66 1ckp n LYS 291 Cb 0.65 -2.20 0.04 0.00 0.02 0.00 0.00 35.03 33.54 1ckp n LYS 291 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1ckp s PRO 292 N -1.76 3.03 -0.01 1.64 0.04 -1.26 -4.98 135.00 131.70 1ckp s PRO 292 Ca 0.31 0.70 -0.01 0.00 0.04 0.00 0.00 61.00 62.04 1ckp s PRO 292 Cb 0.04 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1ckp s PRO 292 CO -0.11 -0.97 0.11 0.14 0.04 0.00 0.00 177.00 176.21 1ckp s VAL 293 N -3.20 4.92 0.54 -0.36 -7.23 -1.26 -4.53 120.40 109.28 1ckp s VAL 293 Ca 0.57 -0.35 -0.08 0.00 -1.81 0.00 0.00 61.98 60.32 1ckp s VAL 293 Cb -0.12 -3.26 -0.04 0.00 0.56 0.00 0.00 36.38 33.52 1ckp s VAL 293 CO 0.54 0.34 0.89 -2.16 -0.31 0.00 0.00 175.10 174.40 1ckp s PRO 294 N -1.80 3.54 -0.50 4.82 0.04 -1.26 -4.95 135.00 134.89 1ckp s PRO 294 Ca 0.24 0.42 -0.10 0.00 0.04 0.00 0.00 61.00 61.60 1ckp s PRO 294 Cb -0.12 -2.25 0.13 0.00 0.04 0.00 0.00 34.50 32.30 1ckp s PRO 294 CO 0.15 -0.38 0.39 -1.58 0.04 0.00 0.00 177.00 175.62 1ckp s HIS 295 N -2.94 3.43 -0.14 0.56 2.46 -1.26 -4.87 115.29 112.53 1ckp s HIS 295 Ca 0.51 -1.88 -0.12 0.00 0.47 0.00 0.00 55.06 54.04 1ckp s HIS 295 Cb -0.11 -3.53 -0.05 0.00 -0.13 0.00 0.00 32.58 28.77 1ckp s HIS 295 CO 0.49 -0.99 0.25 -0.51 -2.47 0.00 0.00 174.74 171.51 1ckp s LEU 296 N 1.24 4.30 -0.84 8.88 1.43 -1.26 -5.04 118.68 127.39 1ckp s LEU 296 Ca 0.07 0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 53.54 1ckp s LEU 296 Cb -0.25 -2.30 0.20 0.00 0.03 0.00 0.00 46.19 43.87 1ckp s LEU 296 CO -0.01 0.20 0.83 -0.60 0.23 0.00 0.00 176.35 177.00 1ckp s ARG 297 N -0.06 3.59 0.00 1.70 3.52 -1.26 -5.09 118.95 121.36 1ckp s ARG 297 Ca 0.16 -2.33 0.24 0.00 -0.13 0.00 0.00 55.73 53.67 1ckp s ARG 297 Cb -0.13 -4.51 1.46 0.00 -1.56 0.00 0.00 34.95 30.21 1ckp s ARG 297 CO 0.04 -1.38 1.82 1.28 -0.81 0.00 0.00 175.30 176.26