#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1m s GLU 2 N 0.00 3.11 0.61 0.54 8.01 -1.26 -5.10 118.70 124.61 2k1m s GLU 2 Ca 0.00 -0.96 -0.17 0.00 0.01 0.00 0.00 54.97 53.85 2k1m s GLU 2 Cb 0.00 -2.69 -0.02 0.00 -4.31 0.00 0.00 34.13 27.11 2k1m s GLU 2 CO 0.00 0.38 1.12 -1.25 0.01 0.00 0.00 175.26 175.52 2k1m s PRO 3 N -3.91 3.03 0.06 0.39 0.04 -1.26 -4.98 135.00 128.36 2k1m s PRO 3 Ca 0.34 1.48 0.11 0.00 0.04 0.00 0.00 61.00 62.97 2k1m s PRO 3 Cb -0.08 -1.97 -0.19 0.00 0.04 0.00 0.00 34.50 32.29 2k1m s PRO 3 CO 0.27 -1.09 0.99 0.78 0.04 0.00 0.00 177.00 177.99 2k1m h GLY 4 N 0.51 0.00 -5.71 0.56 0.00 -2.09 -3.46 103.07 92.88 2k1m h GLY 4 Ca -0.48 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.50 2k1m h GLY 4 CO 0.55 0.00 -0.76 0.54 0.00 0.00 0.00 176.54 176.87 2k1m s LYS 5 N -2.70 0.52 0.66 4.80 1.02 -1.26 -5.15 119.74 117.63 2k1m s LYS 5 Ca -0.02 -0.13 -0.11 0.00 0.02 0.00 0.00 55.97 55.73 2k1m s LYS 5 Cb 0.09 -0.53 -0.02 0.00 -0.52 0.00 0.00 37.83 36.85 2k1m s LYS 5 CO 0.82 0.03 1.05 0.15 -0.92 0.00 0.00 175.35 176.48 2k1m s LYS 6 N 0.29 3.25 0.88 1.68 1.02 -1.26 -5.05 119.74 120.55 2k1m s LYS 6 Ca -0.03 0.78 -0.11 0.00 0.02 0.00 0.00 55.97 56.63 2k1m s LYS 6 Cb -0.07 -2.04 0.12 0.00 -0.52 0.00 0.00 37.83 35.32 2k1m s LYS 6 CO -0.00 -0.83 1.09 -1.25 -0.92 0.00 0.00 175.35 173.44 2k1m s PRO 7 N -5.15 1.37 -0.45 -1.68 0.04 -1.26 -4.86 135.00 123.02 2k1m s PRO 7 Ca 0.56 0.86 -0.33 0.00 0.04 0.00 0.00 61.00 62.14 2k1m s PRO 7 Cb -0.12 -1.82 -0.12 0.00 0.04 0.00 0.00 34.50 32.48 2k1m s PRO 7 CO 0.54 -2.17 2.29 1.33 0.04 0.00 0.00 177.00 179.03 2k1m n VAL 8 N -3.84 0.12 -2.61 -0.36 0.24 -1.26 -4.93 118.33 105.70 2k1m n VAL 8 Ca 0.07 -0.33 -0.20 0.00 -2.04 0.00 0.00 64.34 61.84 2k1m n VAL 8 Cb 0.55 -1.75 0.10 0.00 -1.47 0.00 0.00 33.84 31.26 2k1m n VAL 8 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2k1m n SER 9 N 11.10 1.23 -0.30 -1.34 7.64 -1.26 -5.03 113.62 125.66 2k1m n SER 9 Ca 0.43 -2.02 0.05 0.00 1.01 0.00 0.00 58.87 58.34 2k1m n SER 9 Cb 0.27 -0.54 0.11 0.00 -1.01 0.00 0.00 64.21 63.04 2k1m n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k1m n ALA 10 N -2.87 2.25 -3.60 -0.43 0.00 -1.26 -4.65 120.51 109.94 2k1m n ALA 10 Ca -0.14 -1.59 -0.29 0.00 0.00 0.00 0.00 53.44 51.42 2k1m n ALA 10 Cb 0.51 -0.29 -0.13 0.00 0.00 0.00 0.00 19.45 19.54 2k1m n ALA 10 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2k1m s PHE 11 N -1.69 1.30 0.16 0.00 0.40 -1.26 -1.34 117.98 115.55 2k1m s PHE 11 Ca 0.19 -1.90 -0.20 0.00 -0.60 0.00 0.00 56.93 54.41 2k1m s PHE 11 Cb 0.14 -1.39 0.06 0.00 0.51 0.00 0.00 43.02 42.34 2k1m s PHE 11 CO 0.06 -0.82 1.64 1.03 0.70 0.00 0.00 175.22 177.83 2k1m h SER 12 N 7.12 -0.64 -3.49 1.36 0.87 -0.69 -3.38 113.55 114.71 2k1m h SER 12 Ca -0.01 0.13 -0.58 0.00 -1.23 0.00 0.00 61.79 60.10 2k1m h SER 12 Cb 0.96 0.33 -0.39 0.00 -0.44 0.00 0.00 62.40 62.86 2k1m h SER 12 CO 0.38 -0.23 -0.77 -0.75 -0.53 0.00 0.00 176.83 174.93 2k1m s LYS 13 N -6.13 1.25 0.24 2.24 2.20 -0.42 -4.96 119.74 114.16 2k1m s LYS 13 Ca -0.14 -0.87 -0.30 0.00 -0.36 0.00 0.00 55.97 54.30 2k1m s LYS 13 Cb 0.13 -2.42 -0.09 0.00 -1.51 0.00 0.00 37.83 33.94 2k1m s LYS 13 CO 0.69 -0.66 1.27 0.21 -0.36 0.00 0.00 175.35 176.49 2k1m s LYS 14 N 1.53 4.43 -0.95 4.03 2.20 -1.26 -0.56 119.74 129.16 2k1m s LYS 14 Ca -0.02 2.04 -0.24 0.00 -0.36 0.00 0.00 55.97 57.39 2k1m s LYS 14 Cb -0.18 -3.17 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 2k1m s LYS 14 CO -0.09 -0.15 1.95 -1.25 -0.36 0.00 0.00 175.35 175.45 2k1m s PRO 15 N -0.76 2.54 0.68 4.03 0.04 -1.23 -4.87 135.00 135.44 2k1m s PRO 15 Ca 0.52 -0.45 -0.17 0.00 0.04 0.00 0.00 61.00 60.95 2k1m s PRO 15 Cb -0.36 -5.09 -0.02 0.00 0.04 0.00 0.00 34.50 29.07 2k1m s PRO 15 CO 0.42 -3.49 0.95 0.54 0.04 0.00 0.00 177.00 175.46 2k1m n ARG 16 N 8.75 0.65 -0.76 4.56 5.12 -1.26 -4.69 116.66 129.03 2k1m n ARG 16 Ca 0.41 0.27 -0.31 0.00 -1.93 0.00 0.00 57.85 56.29 2k1m n ARG 16 Cb 0.47 -2.19 0.16 0.00 -1.16 0.00 0.00 32.46 29.74 2k1m n ARG 16 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2k1m s SER 17 N -1.48 3.10 0.06 0.55 1.04 -1.26 -4.87 113.70 110.83 2k1m s SER 17 Ca 0.74 2.15 -0.06 0.00 0.48 0.00 0.00 55.95 59.27 2k1m s SER 17 Cb -0.37 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.17 2k1m s SER 17 CO 0.49 -2.99 0.10 0.68 0.98 0.00 0.00 173.24 172.50 2k1m s VAL 18 N -2.67 0.16 -0.08 5.02 -7.23 -1.24 -5.04 120.40 109.31 2k1m s VAL 18 Ca 0.66 -1.32 0.04 0.00 -1.81 0.00 0.00 61.98 59.56 2k1m s VAL 18 Cb -0.22 -1.25 -0.00 0.00 0.56 0.00 0.00 36.38 35.47 2k1m s VAL 18 CO 0.58 -0.73 -0.23 -1.83 -0.31 0.00 0.00 175.10 172.58 2k1m s GLU 19 N -3.48 2.75 -0.05 4.82 1.03 -1.26 -1.87 118.70 120.63 2k1m s GLU 19 Ca 0.02 -0.82 -0.05 0.00 0.03 0.00 0.00 54.97 54.15 2k1m s GLU 19 Cb 0.04 -2.14 0.01 0.00 -0.80 0.00 0.00 34.13 31.24 2k1m s GLU 19 CO -0.09 0.21 0.14 0.14 -1.33 0.00 0.00 175.26 174.33 2k1m s VAL 20 N 0.25 -0.00 0.68 1.83 -7.23 -0.85 -4.94 120.40 110.14 2k1m s VAL 20 Ca -0.15 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 59.90 2k1m s VAL 20 Cb -0.17 -0.20 0.00 0.00 0.56 0.00 0.00 36.38 36.57 2k1m s VAL 20 CO 0.07 0.00 1.06 0.00 -0.31 0.00 0.00 175.10 175.93 2k1m s ALA 21 N 0.09 2.64 -0.32 1.32 0.00 -1.26 -1.33 121.76 122.90 2k1m s ALA 21 Ca -0.00 0.21 -0.38 0.00 0.00 0.00 0.00 51.96 51.79 2k1m s ALA 21 Cb -0.01 -3.21 -0.13 0.00 0.00 0.00 0.00 23.12 19.77 2k1m s ALA 21 CO 0.00 -1.18 2.02 0.00 0.00 0.00 0.00 175.76 176.60 2k1m n ALA 22 N -2.85 0.58 0.00 0.00 0.00 -1.03 -0.14 120.51 117.07 2k1m n ALA 22 Ca 0.08 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2k1m n ALA 22 Cb 0.53 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.58 2k1m n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k1m n GLY 23 N 5.70 3.04 3.64 0.00 0.00 -0.58 -4.99 105.19 112.00 2k1m n GLY 23 Ca 0.36 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 2k1m n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k1m n SER 24 N 0.76 1.68 -4.75 1.61 2.88 0.80 -4.77 113.62 111.83 2k1m n SER 24 Ca 0.00 1.06 -0.41 0.00 -1.33 0.00 0.00 58.87 58.19 2k1m n SER 24 Cb 0.00 -1.40 -0.03 0.00 -0.75 0.00 0.00 64.21 62.03 2k1m n SER 24 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2k1m s PRO 25 N -2.07 4.42 -0.07 -1.46 0.04 -1.26 -4.66 135.00 129.93 2k1m s PRO 25 Ca 0.62 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.72 2k1m s PRO 25 Cb -0.55 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 30.84 2k1m s PRO 25 CO 0.57 -0.18 -0.05 0.00 0.04 0.00 0.00 177.00 177.38 2k1m s ALA 26 N -0.27 0.92 0.02 8.56 0.00 -0.44 -4.95 121.76 125.60 2k1m s ALA 26 Ca 0.54 -0.24 0.06 0.00 0.00 0.00 0.00 51.96 52.32 2k1m s ALA 26 Cb -0.36 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 2k1m s ALA 26 CO 0.41 -0.17 -0.18 0.54 0.00 0.00 0.00 175.76 176.36 2k1m s VAL 27 N 1.27 1.42 -0.07 0.00 0.11 -1.26 -0.06 120.40 121.80 2k1m s VAL 27 Ca -0.05 -0.99 0.05 0.00 -2.93 0.00 0.00 61.98 58.06 2k1m s VAL 27 Cb -0.14 -1.23 -0.01 0.00 -1.53 0.00 0.00 36.38 33.47 2k1m s VAL 27 CO -0.02 0.21 -0.23 -0.36 -3.33 0.00 0.00 175.10 171.37 2k1m s PHE 28 N -0.68 2.52 -0.30 1.54 0.40 -0.37 -4.96 117.98 116.14 2k1m s PHE 28 Ca 0.06 -0.75 -0.10 0.00 -0.60 0.00 0.00 56.93 55.54 2k1m s PHE 28 Cb -0.08 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.79 2k1m s PHE 28 CO 0.01 -0.23 0.15 -2.00 0.70 0.00 0.00 175.22 173.84 2k1m s GLU 29 N -0.05 3.49 -0.10 0.44 2.12 -1.26 -1.21 118.70 122.12 2k1m s GLU 29 Ca -0.06 -0.61 -0.00 0.00 0.36 0.00 0.00 54.97 54.65 2k1m s GLU 29 Cb -0.15 -3.55 0.02 0.00 0.26 0.00 0.00 34.13 30.72 2k1m s GLU 29 CO 0.05 -0.34 -0.08 0.00 -0.54 0.00 0.00 175.26 174.35 2k1m s ALA 30 N 1.64 1.25 -0.11 6.30 0.00 -0.26 -3.49 121.76 127.09 2k1m s ALA 30 Ca 0.05 -0.48 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 2k1m s ALA 30 Cb -0.17 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 2k1m s ALA 30 CO 0.07 -0.33 -0.08 -1.21 0.00 0.00 0.00 175.76 174.21 2k1m s GLU 31 N 1.56 3.21 0.42 0.00 2.02 0.28 -0.05 118.70 126.14 2k1m s GLU 31 Ca 0.02 -0.58 -0.02 0.00 0.02 0.00 0.00 54.97 54.41 2k1m s GLU 31 Cb -0.13 -2.70 -0.03 0.00 0.10 0.00 0.00 34.13 31.37 2k1m s GLU 31 CO -0.06 0.41 0.67 0.95 0.02 0.00 0.00 175.26 177.25 2k1m s THR 32 N -0.13 4.87 -2.21 3.63 -4.23 -0.01 -0.22 115.64 117.34 2k1m s THR 32 Ca 0.01 -0.17 0.23 0.00 -1.18 0.00 0.00 61.69 60.58 2k1m s THR 32 Cb -0.13 -3.81 0.54 0.00 1.34 0.00 0.00 72.50 70.44 2k1m s THR 32 CO 0.03 -0.66 1.70 1.21 -0.54 0.00 0.00 174.62 176.36 2k1m n GLU 33 N -2.04 1.44 -3.70 3.99 0.00 -0.45 -3.75 120.64 116.13 2k1m n GLU 33 Ca -0.02 -0.66 -0.14 0.00 0.00 0.00 0.00 57.16 56.35 2k1m n GLU 33 Cb 0.56 -1.39 -0.08 0.00 0.00 0.00 0.00 31.44 30.53 2k1m n GLU 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2k1m s ARG 34 N -1.91 0.79 0.06 5.31 3.52 -1.26 -4.94 118.95 120.51 2k1m s ARG 34 Ca 0.34 -0.18 0.02 0.00 -0.13 0.00 0.00 55.73 55.78 2k1m s ARG 34 Cb 0.17 0.36 -0.04 0.00 -1.56 0.00 0.00 34.95 33.88 2k1m s ARG 34 CO 0.28 -0.24 0.10 0.00 -0.81 0.00 0.00 175.30 174.63 2k1m s ALA 35 N -1.63 3.65 0.00 6.12 0.00 -1.26 -4.52 121.76 124.11 2k1m s ALA 35 Ca -0.11 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2k1m s ALA 35 Cb -0.03 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.55 2k1m s ALA 35 CO 0.03 0.75 0.00 0.41 0.00 0.00 0.00 175.76 176.95 2k1m n GLY 36 N 0.59 2.47 3.83 0.00 0.00 -1.26 -5.08 105.19 105.74 2k1m n GLY 36 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 2k1m n GLY 36 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k1m s VAL 37 N -2.34 5.23 -0.56 1.61 -7.23 -1.26 -5.05 120.40 110.80 2k1m s VAL 37 Ca 0.00 0.59 -0.22 0.00 -1.81 0.00 0.00 61.98 60.54 2k1m s VAL 37 Cb 0.00 -3.60 0.05 0.00 0.56 0.00 0.00 36.38 33.39 2k1m s VAL 37 CO 0.00 0.55 0.85 -0.54 -0.31 0.00 0.00 175.10 175.65 2k1m s LYS 38 N -0.75 3.23 -0.18 4.82 1.02 -1.26 -4.97 119.74 121.64 2k1m s LYS 38 Ca 0.20 -0.56 -0.29 0.00 0.02 0.00 0.00 55.97 55.34 2k1m s LYS 38 Cb -0.15 -4.10 -0.05 0.00 -0.52 0.00 0.00 37.83 33.01 2k1m s LYS 38 CO 0.09 -1.47 2.00 0.08 -0.92 0.00 0.00 175.35 175.13 2k1m s VAL 39 N 3.57 3.20 0.11 3.17 1.01 -1.26 -4.71 120.40 125.48 2k1m s VAL 39 Ca 0.24 0.22 -0.24 0.00 0.00 0.00 0.00 61.98 62.20 2k1m s VAL 39 Cb -0.15 -3.22 -0.07 0.00 0.00 0.00 0.00 36.38 32.93 2k1m s VAL 39 CO 0.15 -0.11 0.72 -0.60 0.00 0.00 0.00 175.10 175.26 2k1m s ARG 40 N 5.56 4.46 0.12 2.72 3.00 0.92 -4.93 118.95 130.79 2k1m s ARG 40 Ca 0.90 1.02 0.10 0.00 -1.00 0.00 0.00 55.73 56.75 2k1m s ARG 40 Cb -0.32 -3.28 -0.04 0.00 0.00 0.00 0.00 34.95 31.31 2k1m s ARG 40 CO 0.35 0.51 -0.23 -1.58 0.00 0.00 0.00 175.30 174.36 2k1m s TRP 41 N -0.84 2.42 -0.03 5.12 0.52 -1.26 -0.51 118.94 124.37 2k1m s TRP 41 Ca 0.34 -0.32 -0.09 0.00 0.02 0.00 0.00 56.10 56.05 2k1m s TRP 41 Cb -0.21 -1.31 0.01 0.00 -1.15 0.00 0.00 33.47 30.81 2k1m s TRP 41 CO 0.23 0.35 0.19 -1.14 0.02 0.00 0.00 176.95 176.60 2k1m s GLN 42 N -2.02 0.44 -0.41 4.98 0.74 0.11 -0.05 119.66 123.45 2k1m s GLN 42 Ca 0.16 -0.14 0.02 0.00 0.05 0.00 0.00 55.36 55.45 2k1m s GLN 42 Cb -0.10 0.19 0.11 0.00 1.10 0.00 0.00 33.01 34.31 2k1m s GLN 42 CO 0.08 -0.10 0.14 0.50 -0.55 0.00 0.00 175.29 175.36 2k1m s ARG 43 N -0.90 1.74 3.00 1.67 3.00 0.60 -1.27 118.95 126.79 2k1m s ARG 43 Ca -0.10 -2.07 0.00 0.00 -1.00 0.00 0.00 55.73 52.57 2k1m s ARG 43 Cb -0.05 -3.33 0.00 0.00 0.00 0.00 0.00 34.95 31.57 2k1m s ARG 43 CO 0.02 -1.01 0.00 0.41 0.00 0.00 0.00 175.30 174.71 2k1m n GLY 44 N 4.02 0.57 0.00 8.12 0.00 -0.89 -1.42 105.19 115.60 2k1m n GLY 44 Ca 0.03 0.55 0.05 0.00 0.00 0.00 0.00 46.02 46.65 2k1m n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k1m n GLY 45 N 0.00 -0.38 3.56 -0.02 0.00 -1.26 -4.95 105.19 102.14 2k1m n GLY 45 Ca 0.00 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 2k1m n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k1m s SER 46 N -2.97 5.74 0.68 1.61 0.15 -0.51 -5.08 113.70 113.33 2k1m s SER 46 Ca -0.03 -0.05 -0.16 0.00 0.70 0.00 0.00 55.95 56.41 2k1m s SER 46 Cb 0.06 -2.05 0.01 0.00 -1.71 0.00 0.00 66.02 62.33 2k1m s SER 46 CO 0.38 -0.02 1.22 1.51 1.20 0.00 0.00 173.24 177.54 2k1m s ASP 47 N 1.55 4.49 0.08 5.45 -4.77 -1.26 -0.29 116.67 121.92 2k1m s ASP 47 Ca 0.07 2.41 0.05 0.00 -3.30 0.00 0.00 52.55 51.78 2k1m s ASP 47 Cb -0.15 -2.60 -0.04 0.00 -1.09 0.00 0.00 42.92 39.04 2k1m s ASP 47 CO 0.07 -2.07 -0.01 -0.63 0.70 0.00 0.00 175.17 173.23 2k1m s ILE 48 N -1.79 3.94 0.12 2.11 1.01 0.93 -4.68 121.20 122.84 2k1m s ILE 48 Ca 0.77 -0.99 -0.25 0.00 0.00 0.00 0.00 60.65 60.18 2k1m s ILE 48 Cb -0.31 -2.86 0.07 0.00 0.01 0.00 0.00 42.46 39.37 2k1m s ILE 48 CO 0.42 0.14 0.65 -0.55 0.00 0.00 0.00 174.94 175.60 2k1m s SER 49 N -2.23 -0.55 -0.77 3.58 0.15 -1.26 -4.15 113.70 108.46 2k1m s SER 49 Ca 0.25 0.07 -0.26 0.00 0.70 0.00 0.00 55.95 56.71 2k1m s SER 49 Cb -0.12 0.56 -0.10 0.00 -1.71 0.00 0.00 66.02 64.66 2k1m s SER 49 CO 0.17 -0.88 2.25 0.00 1.20 0.00 0.00 173.24 175.97 2k1m s ALA 50 N -3.41 1.16 0.31 5.45 0.00 -1.26 -4.48 121.76 119.52 2k1m s ALA 50 Ca 0.00 -0.89 -0.12 0.00 0.00 0.00 0.00 51.96 50.95 2k1m s ALA 50 Cb -0.01 -4.53 0.05 0.00 0.00 0.00 0.00 23.12 18.63 2k1m s ALA 50 CO -0.10 -5.32 0.66 0.45 0.00 0.00 0.00 175.76 171.44 2k1m n SER 51 N 16.69 -1.83 -4.54 0.00 2.88 -1.26 -4.90 113.62 120.66 2k1m n SER 51 Ca 0.42 -2.25 -0.41 0.00 -1.33 0.00 0.00 58.87 55.31 2k1m n SER 51 Cb 0.46 3.05 0.02 0.00 -0.75 0.00 0.00 64.21 66.99 2k1m n SER 51 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2k1m n ASN 52 N -1.41 0.20 0.00 -3.46 5.03 -1.26 -0.81 115.26 113.55 2k1m n ASN 52 Ca -0.07 0.93 0.00 0.00 0.87 0.00 0.00 54.58 56.32 2k1m n ASN 52 Cb 0.48 -1.25 0.00 0.00 -1.02 0.00 0.00 39.78 37.99 2k1m n ASN 52 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 2k1m n LYS 53 N 0.15 0.00 -3.85 3.52 4.81 -1.26 -4.92 118.16 116.61 2k1m n LYS 53 Ca 0.11 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.42 2k1m n LYS 53 Cb 0.41 -3.00 -0.01 0.00 0.02 0.00 0.00 35.03 32.45 2k1m n LYS 53 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2k1m n TYR 54 N -2.00 -1.74 -3.48 5.64 4.01 0.01 -4.31 117.16 115.29 2k1m n TYR 54 Ca 0.00 -2.14 0.00 0.00 -0.16 0.00 0.00 57.90 55.60 2k1m n TYR 54 Cb 0.00 0.66 -0.04 0.00 -0.31 0.00 0.00 39.34 39.65 2k1m n TYR 54 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2k1m s GLY 55 N -3.09 -0.29 -0.23 2.72 0.00 -0.70 -4.15 107.32 101.58 2k1m s GLY 55 Ca 0.24 2.90 -0.01 0.00 0.00 0.00 0.00 44.72 47.85 2k1m s GLY 55 CO 0.17 3.13 -0.09 1.08 0.00 0.00 0.00 173.10 177.39 2k1m s LEU 56 N 2.43 2.89 -0.35 0.66 1.43 -1.26 -0.10 118.68 124.37 2k1m s LEU 56 Ca -0.04 -0.74 -0.01 0.00 -1.03 0.00 0.00 54.13 52.31 2k1m s LEU 56 Cb -0.07 -1.63 0.08 0.00 0.03 0.00 0.00 46.19 44.60 2k1m s LEU 56 CO -0.18 -0.08 0.09 0.00 0.23 0.00 0.00 176.35 176.41 2k1m s ALA 57 N 1.34 2.96 -0.06 4.21 0.00 -0.50 -4.86 121.76 124.85 2k1m s ALA 57 Ca 0.02 -2.20 -0.02 0.00 0.00 0.00 0.00 51.96 49.76 2k1m s ALA 57 Cb -0.15 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 2k1m s ALA 57 CO -0.06 -1.55 0.05 -0.08 0.00 0.00 0.00 175.76 174.12 2k1m s THR 58 N 1.15 4.65 -0.40 0.00 -1.32 -1.26 -1.30 115.64 117.15 2k1m s THR 58 Ca 0.03 -0.23 0.04 0.00 -1.21 0.00 0.00 61.69 60.32 2k1m s THR 58 Cb -0.21 -3.02 0.16 0.00 -1.51 0.00 0.00 72.50 67.92 2k1m s THR 58 CO -0.04 0.52 0.43 -1.61 -2.21 0.00 0.00 174.62 171.71 2k1m s GLU 59 N -1.19 0.74 4.97 7.08 2.02 -0.07 -5.02 118.70 127.22 2k1m s GLU 59 Ca 0.17 -1.02 0.00 0.00 0.02 0.00 0.00 54.97 54.14 2k1m s GLU 59 Cb -0.12 -0.69 0.00 0.00 0.10 0.00 0.00 34.13 33.43 2k1m s GLU 59 CO 0.06 -1.24 0.00 0.41 0.02 0.00 0.00 175.26 174.52 2k1m n GLY 60 N 3.92 1.73 0.97 -1.39 0.00 -1.26 -2.80 105.19 106.36 2k1m n GLY 60 Ca 0.14 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.17 2k1m n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k1m n THR 61 N 0.00 2.10 -5.17 2.61 -2.24 -1.26 -4.38 114.28 105.94 2k1m n THR 61 Ca 0.00 -1.66 -0.30 0.00 -2.27 0.00 0.00 64.05 59.82 2k1m n THR 61 Cb 0.00 -0.11 -0.16 0.00 -2.10 0.00 0.00 70.33 67.96 2k1m n THR 61 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2k1m s ARG 62 N -2.47 2.06 -0.14 -0.78 3.00 -1.12 -0.83 118.95 118.67 2k1m s ARG 62 Ca 0.40 -0.84 -0.02 0.00 0.00 0.00 0.00 55.73 55.27 2k1m s ARG 62 Cb 0.31 -1.90 0.05 0.00 0.00 0.00 0.00 34.95 33.40 2k1m s ARG 62 CO 0.11 0.45 0.03 -1.01 0.00 0.00 0.00 175.30 174.88 2k1m s HIS 63 N -0.40 0.74 -0.25 -0.53 3.76 0.93 -0.89 115.29 118.64 2k1m s HIS 63 Ca 0.05 -0.46 -0.06 0.00 -0.15 0.00 0.00 55.06 54.44 2k1m s HIS 63 Cb -0.11 -0.87 -0.01 0.00 1.11 0.00 0.00 32.58 32.70 2k1m s HIS 63 CO 0.01 -0.47 0.02 0.99 -0.85 0.00 0.00 174.74 174.44 2k1m s THR 64 N 1.95 3.81 -0.41 1.30 2.01 -0.42 -1.10 115.64 122.78 2k1m s THR 64 Ca 0.02 -0.45 -0.16 0.00 0.31 0.00 0.00 61.69 61.42 2k1m s THR 64 Cb -0.15 -2.81 0.02 0.00 0.01 0.00 0.00 72.50 69.58 2k1m s THR 64 CO -0.07 0.31 0.34 -0.22 -0.69 0.00 0.00 174.62 174.29 2k1m s LEU 65 N 1.52 5.07 -0.15 4.42 2.96 -0.35 -1.40 118.68 130.75 2k1m s LEU 65 Ca 0.05 -0.86 -0.14 0.00 -0.22 0.00 0.00 54.13 52.96 2k1m s LEU 65 Cb -0.15 -2.21 -0.05 0.00 0.50 0.00 0.00 46.19 44.28 2k1m s LEU 65 CO 0.00 -0.49 0.30 -0.89 -1.32 0.00 0.00 176.35 173.95 2k1m s THR 66 N 1.79 5.29 -0.23 3.68 2.01 0.85 -1.23 115.64 127.79 2k1m s THR 66 Ca 0.07 0.56 -0.03 0.00 0.31 0.00 0.00 61.69 62.59 2k1m s THR 66 Cb -0.19 -3.63 0.08 0.00 0.01 0.00 0.00 72.50 68.77 2k1m s THR 66 CO 0.11 0.41 0.09 -0.69 -0.69 0.00 0.00 174.62 173.85 2k1m s VAL 67 N 0.27 0.26 -0.13 3.82 1.01 0.91 -1.72 120.40 124.82 2k1m s VAL 67 Ca 0.17 -0.65 0.19 0.00 0.00 0.00 0.00 61.98 61.69 2k1m s VAL 67 Cb -0.13 -1.00 -0.17 0.00 0.00 0.00 0.00 36.38 35.07 2k1m s VAL 67 CO 0.05 -0.45 0.67 0.54 0.00 0.00 0.00 175.10 175.91 2k1m n ARG 68 N 5.13 0.64 0.00 2.72 3.00 -1.26 -1.33 116.66 125.55 2k1m n ARG 68 Ca -0.06 0.09 0.09 0.00 -0.01 0.00 0.00 57.85 57.96 2k1m n ARG 68 Cb 0.45 -1.71 0.41 0.00 0.00 0.00 0.00 32.46 31.61 2k1m n ARG 68 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2k1m n GLU 69 N -2.72 0.13 -1.60 5.56 4.07 -1.26 -4.64 120.64 120.18 2k1m n GLU 69 Ca -0.11 0.16 -0.50 0.00 -0.06 0.00 0.00 57.16 56.65 2k1m n GLU 69 Cb 0.80 -1.50 -0.05 0.00 -0.06 0.00 0.00 31.44 30.63 2k1m n GLU 69 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2k1m n VAL 70 N -1.39 0.43 -2.51 6.31 3.14 -1.25 -4.82 118.33 118.23 2k1m n VAL 70 Ca 0.06 -0.11 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 2k1m n VAL 70 Cb 0.17 -0.94 0.00 0.00 -1.06 0.00 0.00 33.84 32.01 2k1m n VAL 70 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k1m n GLY 71 N 2.37 4.26 0.21 7.55 0.00 -1.26 -1.52 105.19 116.80 2k1m n GLY 71 Ca 0.16 -1.12 0.15 0.00 0.00 0.00 0.00 46.02 45.21 2k1m n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k1m h PRO 72 N 0.00 0.00 0.00 1.61 0.13 -1.92 -2.39 132.00 129.42 2k1m h PRO 72 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2k1m h PRO 72 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2k1m h PRO 72 CO 0.00 0.00 -0.61 0.00 -0.23 0.00 0.00 178.00 177.16 2k1m n ALA 73 N -1.93 3.50 1.38 -0.56 0.00 -1.26 -3.71 120.51 117.92 2k1m n ALA 73 Ca 0.01 -0.35 0.12 0.00 0.00 0.00 0.00 53.44 53.21 2k1m n ALA 73 Cb 0.26 -1.09 0.45 0.00 0.00 0.00 0.00 19.45 19.07 2k1m n ALA 73 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k1m n ASP 74 N -1.65 1.46 -4.51 0.00 9.92 -0.90 -4.72 116.55 116.15 2k1m n ASP 74 Ca 0.05 -1.60 -0.30 0.00 -0.53 0.00 0.00 54.79 52.40 2k1m n ASP 74 Cb 0.36 -0.06 -0.06 0.00 -0.64 0.00 0.00 41.12 40.72 2k1m n ASP 74 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 2k1m n GLN 75 N 0.17 1.71 0.00 -1.24 0.00 -1.24 -4.68 117.38 112.10 2k1m n GLN 75 Ca 0.17 -2.48 0.00 0.00 -0.00 0.00 0.00 57.00 54.69 2k1m n GLN 75 Cb 0.31 -3.66 0.00 0.00 0.00 0.00 0.00 30.24 26.89 2k1m n GLN 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k1m n GLY 76 N 5.66 4.69 2.96 1.69 0.00 -1.26 -5.06 105.19 113.88 2k1m n GLY 76 Ca 0.46 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 2k1m n GLY 76 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k1m s SER 77 N 1.11 1.62 -0.03 1.61 1.04 -1.26 -3.68 113.70 114.11 2k1m s SER 77 Ca 0.00 -0.25 -0.16 0.00 0.48 0.00 0.00 55.95 56.03 2k1m s SER 77 Cb 0.00 -0.72 -0.05 0.00 0.10 0.00 0.00 66.02 65.35 2k1m s SER 77 CO 0.00 -0.02 0.42 -0.31 0.98 0.00 0.00 173.24 174.31 2k1m s TYR 78 N 0.94 3.68 -0.00 5.02 1.51 0.12 -2.10 117.35 126.52 2k1m s TYR 78 Ca -0.10 0.97 0.06 0.00 -1.01 0.00 0.00 57.07 56.99 2k1m s TYR 78 Cb -0.15 -2.35 -0.02 0.00 -0.11 0.00 0.00 41.96 39.33 2k1m s TYR 78 CO 0.01 0.53 -0.19 0.00 -1.11 0.00 0.00 175.55 174.79 2k1m s ALA 79 N -0.68 1.58 -0.13 3.71 0.00 -0.40 -0.52 121.76 125.33 2k1m s ALA 79 Ca 0.24 -0.86 -0.06 0.00 0.00 0.00 0.00 51.96 51.28 2k1m s ALA 79 Cb -0.16 -0.38 0.05 0.00 0.00 0.00 0.00 23.12 22.63 2k1m s ALA 79 CO 0.13 0.38 0.30 0.54 0.00 0.00 0.00 175.76 177.10 2k1m s VAL 80 N -0.53 -0.07 0.09 0.00 0.11 -0.01 0.06 120.40 120.04 2k1m s VAL 80 Ca 0.07 0.14 0.10 0.00 -2.93 0.00 0.00 61.98 59.36 2k1m s VAL 80 Cb -0.08 -0.45 -0.03 0.00 -1.53 0.00 0.00 36.38 34.29 2k1m s VAL 80 CO -0.00 0.06 -0.27 -0.63 -3.33 0.00 0.00 175.10 170.93 2k1m s ILE 81 N 1.40 2.20 -0.27 7.04 1.01 0.33 -1.47 121.20 131.44 2k1m s ILE 81 Ca -0.09 -1.58 -0.03 0.00 0.00 0.00 0.00 60.65 58.95 2k1m s ILE 81 Cb -0.10 -1.92 0.11 0.00 0.01 0.00 0.00 42.46 40.56 2k1m s ILE 81 CO -0.10 0.22 0.19 0.00 0.00 0.00 0.00 174.94 175.26 2k1m s ALA 82 N -0.94 0.14 0.00 9.38 0.00 -0.51 -0.06 121.76 129.77 2k1m s ALA 82 Ca 0.13 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.45 2k1m s ALA 82 Cb -0.10 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.51 2k1m s ALA 82 CO 0.04 -1.60 0.00 0.41 0.00 0.00 0.00 175.76 174.61 2k1m n GLY 83 N 5.28 1.38 0.01 0.00 0.00 -1.26 -2.48 105.19 108.12 2k1m n GLY 83 Ca -0.05 0.23 -0.00 0.00 0.00 0.00 0.00 46.02 46.20 2k1m n GLY 83 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k1m n SER 84 N 6.45 4.15 -4.75 1.61 2.88 -1.26 -5.02 113.62 117.68 2k1m n SER 84 Ca 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 2k1m n SER 84 Cb 0.00 0.79 -0.06 0.00 -0.75 0.00 0.00 64.21 64.19 2k1m n SER 84 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2k1m s SER 85 N -3.08 7.60 -0.08 -3.46 0.15 -1.03 -5.06 113.70 108.74 2k1m s SER 85 Ca -0.02 1.97 0.02 0.00 0.70 0.00 0.00 55.95 58.62 2k1m s SER 85 Cb 0.02 -2.61 0.02 0.00 -1.71 0.00 0.00 66.02 61.73 2k1m s SER 85 CO 0.15 0.11 -0.12 -0.54 1.20 0.00 0.00 173.24 174.04 2k1m s LYS 86 N -1.13 1.81 0.01 5.44 1.02 -1.26 -1.43 119.74 124.21 2k1m s LYS 86 Ca 0.42 -0.43 -0.00 0.00 0.02 0.00 0.00 55.97 55.98 2k1m s LYS 86 Cb -0.26 -1.56 -0.01 0.00 -0.52 0.00 0.00 37.83 35.47 2k1m s LYS 86 CO 0.33 -0.04 -0.02 0.54 -0.92 0.00 0.00 175.35 175.24 2k1m s VAL 87 N 0.90 0.07 0.02 3.17 0.11 -0.54 -5.03 120.40 119.10 2k1m s VAL 87 Ca -0.10 -0.59 0.01 0.00 -2.93 0.00 0.00 61.98 58.38 2k1m s VAL 87 Cb -0.15 -0.17 -0.02 0.00 -1.53 0.00 0.00 36.38 34.51 2k1m s VAL 87 CO 0.01 -0.32 -0.06 -1.59 -3.33 0.00 0.00 175.10 169.81 2k1m s LYS 88 N -0.95 0.42 0.23 1.54 0.00 -1.26 -0.83 119.74 118.89 2k1m s LYS 88 Ca -0.10 -0.52 0.06 0.00 0.00 0.00 0.00 55.97 55.41 2k1m s LYS 88 Cb -0.07 -0.23 -0.05 0.00 0.00 0.00 0.00 37.83 37.48 2k1m s LYS 88 CO -0.01 0.05 -0.09 -0.59 0.00 0.00 0.00 175.35 174.71 2k1m s PHE 89 N -0.95 1.72 -0.11 1.78 -0.71 0.32 -4.98 117.98 115.05 2k1m s PHE 89 Ca -0.07 -0.69 -0.11 0.00 -1.04 0.00 0.00 56.93 55.02 2k1m s PHE 89 Cb -0.07 -0.90 -0.05 0.00 -1.21 0.00 0.00 43.02 40.79 2k1m s PHE 89 CO -0.00 0.24 0.25 -0.51 -1.34 0.00 0.00 175.22 173.85 2k1m s ASP 90 N -3.34 6.49 -0.41 1.98 1.11 -1.26 0.12 116.67 121.36 2k1m s ASP 90 Ca 0.25 0.59 -0.10 0.00 0.18 0.00 0.00 52.55 53.47 2k1m s ASP 90 Cb 0.02 -2.15 0.07 0.00 1.07 0.00 0.00 42.92 41.93 2k1m s ASP 90 CO 0.08 0.29 0.25 -0.22 1.18 0.00 0.00 175.17 176.75 2k1m s LEU 91 N -0.53 5.05 0.21 1.23 2.96 -1.24 -3.66 118.68 122.70 2k1m s LEU 91 Ca 0.17 -1.37 -0.22 0.00 -0.22 0.00 0.00 54.13 52.49 2k1m s LEU 91 Cb -0.13 -2.00 -0.08 0.00 0.50 0.00 0.00 46.19 44.47 2k1m s LEU 91 CO 0.06 -0.50 0.76 -0.54 -1.32 0.00 0.00 176.35 174.80 2k1m s LYS 92 N 1.46 4.36 -0.06 1.98 1.02 -0.78 -4.08 119.74 123.65 2k1m s LYS 92 Ca 0.03 0.98 0.04 0.00 0.02 0.00 0.00 55.97 57.04 2k1m s LYS 92 Cb -0.22 -2.98 -0.02 0.00 -0.52 0.00 0.00 37.83 34.09 2k1m s LYS 92 CO 0.03 0.43 -0.17 0.08 -0.92 0.00 0.00 175.35 174.81 2k1m s VAL 93 N -1.43 2.79 0.08 3.17 1.01 -1.26 -2.00 120.40 122.76 2k1m s VAL 93 Ca 0.41 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.60 2k1m s VAL 93 Cb -0.19 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2k1m s VAL 93 CO 0.22 0.58 0.16 -0.63 0.00 0.00 0.00 175.10 175.43 2k1m s ILE 94 N -0.50 5.01 -0.75 2.22 1.01 -0.44 -4.89 121.20 122.86 2k1m s ILE 94 Ca 0.07 -0.59 0.06 0.00 0.00 0.00 0.00 60.65 60.18 2k1m s ILE 94 Cb -0.12 -3.45 0.05 0.00 0.01 0.00 0.00 42.46 38.96 2k1m s ILE 94 CO 0.01 0.11 0.69 -1.84 0.00 0.00 0.00 174.94 173.91